data_r5l0usf
# 
_audit.revision_id     1_0 
_audit.creation_date   2017-08-09 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5l0u 
_cell.length_a      71.8500 
_cell.length_b      74.3900 
_cell.length_c      83.3100 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_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   1.00000 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.774 
_diffrn_reflns.pdbx_d_res_low    55.488 
_diffrn_reflns.limit_h_max       40 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       41 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       46 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            43905 
_diffrn_reflns.pdbx_number_obs   40040 
# 
_entry.id   5l0u 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5l0u 
_symmetry.space_group_name_H-M   "P 21 21 21" 
_symmetry.Int_Tables_number      19 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"           
2 "-X+1/2,  -Y,  Z+1/2" 
3 "X+1/2,  -Y+1/2,  -Z" 
4 "-X,  Y+1/2,  -Z+1/2" 
# 
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 0  0  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  4  o 587.8504 12.01454 3461.495       141.1236      3461.495       141.1236      3461.495       141.1236      587.8504 12.01454 587.8504 12.01454 -0.000000      0.000000 
1 1 1 0  0  6  o 347.5060 7.178883 1209.327       49.84667      1209.327       49.84667      1209.327       49.84667      347.5060 7.178883 347.5060 7.178883 0.000000       0.000000 
1 1 1 0  0  8  o 92.58747 2.639601 85.93520       4.879108      85.93520       4.879108      85.93520       4.879108      92.58747 2.639601 92.58747 2.639601 -0.000000      0.000000 
1 1 1 0  0  10 o 427.0096 6.237881 1824.972       53.24723      1824.972       53.24723      1824.972       53.24723      427.0096 6.237881 427.0096 6.237881 0.000000       0.000000 
1 1 1 0  0  12 o 933.6780 13.50494 8735.211       252.0671      8735.211       252.0671      8735.211       252.0671      933.6780 13.50494 933.6780 13.50494 -0.000000      0.000000 
1 1 1 0  0  14 o 402.6788 5.931000 1623.063       47.74257      1623.063       47.74257      1623.063       47.74257      402.6788 5.931000 402.6788 5.931000 0.000000       0.000000 
1 1 1 0  0  16 o 137.0712 2.586301 188.0939       7.084518      188.0939       7.084518      188.0939       7.084518      137.0712 2.586301 137.0712 2.586301 -0.000000      0.000000 
1 1 1 0  0  18 o 297.2266 4.527505 884.1478       26.89991      884.1478       26.89991      884.1478       26.89991      297.2266 4.527505 297.2266 4.527505 -0.000000      0.000000 
1 1 1 0  0  20 o 537.2368 7.876404 2889.066       84.58914      2889.066       84.58914      2889.066       84.58914      537.2368 7.876404 537.2368 7.876404 0.000000       0.000000 
1 1 1 0  0  22 o 678.3224 9.900578 4607.062       134.2516      4607.062       134.2516      4607.062       134.2516      678.3224 9.900578 678.3224 9.900578 0.000000       0.000000 
1 1 1 0  0  24 o 1402.304 20.32640 19758.72       569.8077      19758.72       569.8077      19758.72       569.8077      1402.304 20.32640 1402.304 20.32640 -0.000000      0.000000 
1 1 1 0  0  26 o 259.8162 4.147011 675.7213       21.53693      675.7213       21.53693      675.7213       21.53693      259.8162 4.147011 259.8162 4.147011 0.000000       0.000000 
1 1 1 0  0  28 o 784.2048 11.44252 6174.866       179.3800      6174.866       179.3800      6174.866       179.3800      784.2048 11.44252 784.2048 11.44252 -0.000000      0.000000 
1 1 1 0  0  30 o 94.63386 2.879842 89.83168       5.439492      89.83168       5.439492      89.83168       5.439492      94.63386 2.879842 94.63386 2.879842 -0.000000      0.000000 
1 1 1 0  0  32 o 132.9559 2.904438 177.1129       7.715039      177.1129       7.715039      177.1129       7.715039      132.9559 2.904438 132.9559 2.904438 -0.000000      0.000000 
1 1 1 0  0  34 o 77.50388 3.149784 60.40969       4.864938      60.40969       4.864938      60.40969       4.864938      77.50388 3.149784 77.50388 3.149784 -0.000000      0.000000 
1 1 1 0  0  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  0  38 o 66.23801 3.610933 44.34200       4.753712      44.34200       4.753712      44.34200       4.753712      66.23801 3.610933 66.23801 3.610933 0.000000       0.000000 
1 1 1 0  0  40 o 149.8824 3.020744 225.3585       9.046929      225.3585       9.046929      225.3585       9.046929      149.8824 3.020744 149.8824 3.020744 0.000000       0.000000 
1 1 1 0  0  42 o 175.0656 3.142562 307.7514       10.99517      307.7514       10.99517      307.7514       10.99517      175.0656 3.142562 175.0656 3.142562 0.000000       0.000000 
1 1 1 0  0  44 o 170.4733 4.305257 294.0783       14.65787      294.0783       14.65787      294.0783       14.65787      170.4733 4.305257 170.4733 4.305257 -0.000000      0.000000 
1 1 1 0  0  46 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  1  o 1.881233 1.177378 0.2333640E-01  0.8883985E-01 0.2333640E-01  0.8883985E-01 0.2333640E-01  0.8883985E-01 1.881233 1.177378 1.881233 1.177378 0.000000       0.000000 
1 1 1 0  1  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  3  o 602.2849 7.124572 3630.107       85.79351      3630.107       85.79351      3630.107       85.79351      602.2849 7.124572 602.2849 7.124572 0.000000       0.000000 
1 1 1 0  1  4  o 372.9936 7.725461 1393.525       57.57588      1393.525       57.57588      1393.525       57.57588      372.9936 7.725461 372.9936 7.725461 -0.000000      0.000000 
1 1 1 0  1  5  o 618.9191 9.012752 3834.849       111.5103      3834.849       111.5103      3834.849       111.5103      618.9191 9.012752 618.9191 9.012752 -0.000000      0.000000 
1 1 1 0  1  6  o 351.2077 4.204161 1234.123       29.52119      1234.123       29.52119      1234.123       29.52119      351.2077 4.204161 351.2077 4.204161 -0.000000      0.000000 
1 1 1 0  1  7  o 1020.208 12.02414 10421.33       245.2660      10421.33       245.2660      10421.33       245.2660      1020.208 12.02414 1020.208 12.02414 0.000000       0.000000 
1 1 1 0  1  8  o 1150.679 13.56153 13262.22       312.0022      13262.22       312.0022      13262.22       312.0022      1150.679 13.56153 1150.679 13.56153 -0.000000      0.000000 
1 1 1 0  1  9  o 574.1536 6.807139 3299.260       78.14223      3299.260       78.14223      3299.260       78.14223      574.1536 6.807139 574.1536 6.807139 0.000000       0.000000 
1 1 1 0  1  10 o 289.2897 3.534998 837.3900       20.44592      837.3900       20.44592      837.3900       20.44592      289.2897 3.534998 289.2897 3.534998 0.000000       0.000000 
1 1 1 0  1  11 o 235.8747 2.956494 556.7014       13.94233      556.7014       13.94233      556.7014       13.94233      235.8747 2.956494 235.8747 2.956494 -0.000000      0.000000 
1 1 1 0  1  12 o 424.3589 5.091003 1802.301       43.19431      1802.301       43.19431      1802.301       43.19431      424.3589 5.091003 424.3589 5.091003 -0.000000      0.000000 
1 1 1 0  1  13 o 54.71024 2.156840 30.07378       2.352060      30.07378       2.352060      30.07378       2.352060      54.71024 2.156840 54.71024 2.156840 -0.000000      0.000000 
1 1 1 0  1  14 o 209.4972 2.344160 439.0984       9.819141      439.0984       9.819141      439.0984       9.819141      209.4972 2.344160 209.4972 2.344160 0.000000       0.000000 
1 1 1 0  1  15 o 243.7729 2.668605 594.5327       13.00717      594.5327       13.00717      594.5327       13.00717      243.7729 2.668605 243.7729 2.668605 0.000000       0.000000 
1 1 1 0  1  16 o 16.80684 5.808387 3.681824       1.756252      3.681824       1.756252      3.681824       1.756252      16.80684 5.808387 16.80684 5.808387 -0.000000      0.000000 
1 1 1 0  1  17 o 132.8441 2.582529 176.6879       6.855688      176.6879       6.855688      176.6879       6.855688      132.8441 2.582529 132.8441 2.582529 -0.000000      0.000000 
1 1 1 0  1  18 o 48.76809 2.369656 23.95275       2.299635      23.95275       2.299635      23.95275       2.299635      48.76809 2.369656 48.76809 2.369656 -0.000000      0.000000 
1 1 1 0  1  19 o 363.9512 4.466911 1325.513       32.50377      1325.513       32.50377      1325.513       32.50377      363.9512 4.466911 363.9512 4.466911 0.000000       0.000000 
1 1 1 0  1  20 o 1118.194 11.43541 12525.43       255.6803      12525.43       255.6803      12525.43       255.6803      1118.194 11.43541 1118.194 11.43541 -0.000000      0.000000 
1 1 1 0  1  21 o 457.8688 6.728511 2099.143       61.58572      2099.143       61.58572      2099.143       61.58572      457.8688 6.728511 457.8688 6.728511 0.000000       0.000000 
1 1 1 0  1  22 o 637.3008 6.588073 4065.096       83.95154      4065.096       83.95154      4065.096       83.95154      637.3008 6.588073 637.3008 6.588073 -0.000000      0.000000 
1 1 1 0  1  23 f 171.4561 3.351820 294.3617       11.48400      294.3617       11.48400      294.3617       11.48400      171.4561 3.351820 171.4561 3.351820 0.000000       0.000000 
1 1 1 0  1  24 o 59.05696 2.884731 35.13212       3.389941      35.13212       3.389941      35.13212       3.389941      59.05696 2.884731 59.05696 2.884731 0.000000       0.000000 
1 1 1 0  1  25 o 497.4303 5.196127 2476.747       51.68156      2476.747       51.68156      2476.747       51.68156      497.4303 5.196127 497.4303 5.196127 -0.000000      0.000000 
1 1 1 0  1  26 o 264.9293 4.109656 702.7133       21.76364      702.7133       21.76364      702.7133       21.76364      264.9293 4.109656 264.9293 4.109656 0.000000       0.000000 
1 1 1 0  1  27 f 107.4611 1.996139 115.6193       4.286842      115.6193       4.286842      115.6193       4.286842      107.4611 1.996139 107.4611 1.996139 -0.000000      0.000000 
1 1 1 0  1  28 o 394.3615 4.189491 1557.177       33.03511      1557.177       33.03511      1557.177       33.03511      394.3615 4.189491 394.3615 4.189491 0.000000       0.000000 
1 1 1 0  1  29 o 350.7063 4.379025 1231.998       30.70430      1231.998       30.70430      1231.998       30.70430      350.7063 4.379025 350.7063 4.379025 0.000000       0.000000 
1 1 1 0  1  30 o 98.15731 1.958406 96.49113       3.841226      96.49113       3.841226      96.49113       3.841226      98.15731 1.958406 98.15731 1.958406 -0.000000      0.000000 
1 1 1 0  1  31 o 92.23397 2.006863 85.22675       3.698118      85.22675       3.698118      85.22675       3.698118      92.23397 2.006863 92.23397 2.006863 -0.000000      0.000000 
1 1 1 0  1  32 o 224.0924 2.627957 502.7882       11.77447      502.7882       11.77447      502.7882       11.77447      224.0924 2.627957 224.0924 2.627957 -0.000000      0.000000 
1 1 1 0  1  33 o 300.3724 3.312347 903.9844       19.89333      903.9844       19.89333      903.9844       19.89333      300.3724 3.312347 300.3724 3.312347 -0.000000      0.000000 
1 1 1 0  1  34 o 43.47726 3.049685 19.20613       2.625522      19.20613       2.625522      19.20613       2.625522      43.47726 3.049685 43.47726 3.049685 0.000000       0.000000 
1 1 1 0  1  35 o 40.48384 3.219550 16.72655       2.574514      16.72655       2.574514      16.72655       2.574514      40.48384 3.219550 40.48384 3.219550 0.000000       0.000000 
1 1 1 0  1  36 o 96.58700 2.478029 93.58647       4.779924      93.58647       4.779924      93.58647       4.779924      96.58700 2.478029 96.58700 2.478029 -0.000000      0.000000 
1 1 1 0  1  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  1  38 o 79.87959 2.956441 64.22115       4.709079      64.22115       4.709079      64.22115       4.709079      79.87959 2.956441 79.87959 2.956441 0.000000       0.000000 
1 1 1 0  1  39 o 69.09348 2.618738 48.05429       3.607436      48.05429       3.607436      48.05429       3.607436      69.09348 2.618738 69.09348 2.618738 0.000000       0.000000 
1 1 1 0  1  40 o 144.5905 2.876219 210.0560       8.310139      210.0560       8.310139      210.0560       8.310139      144.5905 2.876219 144.5905 2.876219 0.000000       0.000000 
1 1 1 0  1  41 o 12.51889 6.620969 2.337891       2.194783      2.337891       2.194783      2.337891       2.194783      12.51889 6.620969 12.51889 6.620969 -0.000000      0.000000 
1 1 1 0  1  42 o 14.34728 8.538347 2.595767       4.203953      2.595767       4.203953      2.595767       4.203953      14.34728 8.538347 14.34728 8.538347 -0.000000      0.000000 
1 1 1 0  1  43 o 187.5008 3.588628 355.4302       13.44641      355.4302       13.44641      355.4302       13.44641      187.5008 3.588628 187.5008 3.588628 0.000000       0.000000 
1 1 1 0  1  44 o 24.41734 9.181647 8.515590       4.174906      8.515590       4.174906      8.515590       4.174906      24.41734 9.181647 24.41734 9.181647 -0.000000      0.000000 
1 1 1 0  1  45 o 48.53597 4.097249 24.58328       3.922698      24.58328       3.922698      24.58328       3.922698      48.53597 4.097249 48.53597 4.097249 0.000000       0.000000 
1 1 1 0  1  46 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  0  o 427.1218 8.824195 1827.097       75.30843      1827.097       75.30843      1827.097       75.30843      427.1218 8.824195 427.1218 8.824195 0.000000       0.000000 
1 1 1 0  2  1  o 157.0854 2.569971 246.9663       8.069265      246.9663       8.069265      246.9663       8.069265      157.0854 2.569971 157.0854 2.569971 -0.000000      0.000000 
1 1 1 0  2  2  o 781.0099 9.205369 6105.438       143.7449      6105.438       143.7449      6105.438       143.7449      781.0099 9.205369 781.0099 9.205369 -0.000000      0.000000 
1 1 1 0  2  3  o 726.1359 8.568849 5277.257       124.4041      5277.257       124.4041      5277.257       124.4041      726.1359 8.568849 726.1359 8.568849 0.000000       0.000000 
1 1 1 0  2  4  o 879.6190 8.974336 7743.378       157.8430      7743.378       157.8430      7743.378       157.8430      879.6190 8.974336 879.6190 8.974336 0.000000       0.000000 
1 1 1 0  2  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  6  o 461.1848 5.502731 2128.189       50.73932      2128.189       50.73932      2128.189       50.73932      461.1848 5.502731 461.1848 5.502731 -0.000000      0.000000 
1 1 1 0  2  7  o 1024.710 14.80912 10520.51       303.3590      10520.51       303.3590      10520.51       303.3590      1024.710 14.80912 1024.710 14.80912 0.000000       0.000000 
1 1 1 0  2  8  o 231.8826 3.630061 538.1400       16.82573      538.1400       16.82573      538.1400       16.82573      231.8826 3.630061 231.8826 3.630061 -0.000000      0.000000 
1 1 1 0  2  9  o 636.6743 9.267941 4059.429       117.9572      4059.429       117.9572      4059.429       117.9572      636.6743 9.267941 636.6743 9.267941 -0.000000      0.000000 
1 1 1 0  2  10 o 662.4085 9.640845 4395.943       127.6630      4395.943       127.6630      4395.943       127.6630      662.4085 9.640845 662.4085 9.640845 0.000000       0.000000 
1 1 1 0  2  11 o 179.0063 2.859084 320.7161       10.23004      320.7161       10.23004      320.7161       10.23004      179.0063 2.859084 179.0063 2.859084 0.000000       0.000000 
1 1 1 0  2  12 o 113.4520 2.649632 128.9382       6.004838      128.9382       6.004838      128.9382       6.004838      113.4520 2.649632 113.4520 2.649632 0.000000       0.000000 
1 1 1 0  2  13 o 472.1692 5.667415 2231.623       53.50228      2231.623       53.50228      2231.623       53.50228      472.1692 5.667415 472.1692 5.667415 -0.000000      0.000000 
1 1 1 0  2  14 o 128.4556 2.001156 165.1401       5.138401      165.1401       5.138401      165.1401       5.138401      128.4556 2.001156 128.4556 2.001156 -0.000000      0.000000 
1 1 1 0  2  15 o 368.2892 4.489323 1357.394       33.05636      1357.394       33.05636      1357.394       33.05636      368.2892 4.489323 368.2892 4.489323 0.000000       0.000000 
1 1 1 0  2  16 o 862.1838 12.53267 7452.913       216.0069      7452.913       216.0069      7452.913       216.0069      862.1838 12.53267 862.1838 12.53267 0.000000       0.000000 
1 1 1 0  2  17 o 563.4938 6.741016 3178.115       75.94603      3178.115       75.94603      3178.115       75.94603      563.4938 6.741016 563.4938 6.741016 0.000000       0.000000 
1 1 1 0  2  18 o 634.7396 7.569774 4033.216       96.06606      4033.216       96.06606      4033.216       96.06606      634.7396 7.569774 634.7396 7.569774 0.000000       0.000000 
1 1 1 0  2  19 o 202.2037 2.777820 409.1309       11.22896      409.1309       11.22896      409.1309       11.22896      202.2037 2.777820 202.2037 2.777820 -0.000000      0.000000 
1 1 1 0  2  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  21 o 267.6935 2.975496 716.9532       15.92599      716.9532       15.92599      716.9532       15.92599      267.6935 2.975496 267.6935 2.975496 -0.000000      0.000000 
1 1 1 0  2  22 o 1109.177 11.36548 12327.06       252.0671      12327.06       252.0671      12327.06       252.0671      1109.177 11.36548 1109.177 11.36548 -0.000000      0.000000 
1 1 1 0  2  23 o 159.5117 2.697642 254.6884       8.600604      254.6884       8.600604      254.6884       8.600604      159.5117 2.697642 159.5117 2.697642 -0.000000      0.000000 
1 1 1 0  2  24 o 9.184760 6.154067 -0.9188619     3.043509      -0.9188619     3.043509      -0.9188619     3.043509      9.184760 6.154067 9.184760 6.154067 -0.000000      0.000000 
1 1 1 0  2  25 o 566.1838 5.878662 3209.287       66.55196      3209.287       66.55196      3209.287       66.55196      566.1838 5.878662 566.1838 5.878662 0.000000       0.000000 
1 1 1 0  2  26 f 559.0320 5.815708 3129.231       65.00753      3129.231       65.00753      3129.231       65.00753      559.0320 5.815708 559.0320 5.815708 -0.000000      0.000000 
1 1 1 0  2  27 o 282.5734 3.127266 799.1337       17.66879      799.1337       17.66879      799.1337       17.66879      282.5734 3.127266 282.5734 3.127266 -0.000000      0.000000 
1 1 1 0  2  28 o 39.22565 2.850339 15.63553       2.212495      15.63553       2.212495      15.63553       2.212495      39.22565 2.850339 39.22565 2.850339 0.000000       0.000000 
1 1 1 0  2  29 o 389.8190 4.148330 1521.754       32.33374      1521.754       32.33374      1521.754       32.33374      389.8190 4.148330 389.8190 4.148330 -0.000000      0.000000 
1 1 1 0  2  30 o 36.30692 2.768538 13.41808       1.987207      13.41808       1.987207      13.41808       1.987207      36.30692 2.768538 36.30692 2.768538 0.000000       0.000000 
1 1 1 0  2  31 o 101.7021 3.495499 103.9299       7.091603      103.9299       7.091603      103.9299       7.091603      101.7021 3.495499 101.7021 3.495499 0.000000       0.000000 
1 1 1 0  2  32 f 184.4565 2.734040 340.7653       10.08127      340.7653       10.08127      340.7653       10.08127      184.4565 2.734040 184.4565 2.734040 0.000000       0.000000 
1 1 1 0  2  33 o 105.9890 2.259876 112.5730       4.785592      112.5730       4.785592      112.5730       4.785592      105.9890 2.259876 105.9890 2.259876 -0.000000      0.000000 
1 1 1 0  2  34 o 46.77832 2.822345 22.14620       2.620563      22.14620       2.620563      22.14620       2.620563      46.77832 2.822345 46.77832 2.822345 -0.000000      0.000000 
1 1 1 0  2  35 f 172.0449 2.655357 296.5579       9.131943      296.5579       9.131943      296.5579       9.131943      172.0449 2.655357 172.0449 2.655357 0.000000       0.000000 
1 1 1 0  2  36 o 150.9637 3.533332 228.8299       10.65512      228.8299       10.65512      228.8299       10.65512      150.9637 3.533332 150.9637 3.533332 0.000000       0.000000 
1 1 1 0  2  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  2  38 o 35.35451 9.228305 14.99793       5.626524      14.99793       5.626524      14.99793       5.626524      35.35451 9.228305 35.35451 9.228305 0.000000       0.000000 
1 1 1 0  2  39 o 126.3696 3.540845 160.7477       8.933578      160.7477       8.933578      160.7477       8.933578      126.3696 3.540845 126.3696 3.540845 0.000000       0.000000 
1 1 1 0  2  40 o 26.80725 10.46647 10.17337       5.336059      10.17337       5.336059      10.17337       5.336059      26.80725 10.46647 26.80725 10.46647 0.000000       0.000000 
1 1 1 0  2  41 o 149.4004 3.501475 224.9334       10.44966      224.9334       10.44966      224.9334       10.44966      149.4004 3.501475 149.4004 3.501475 -0.000000      0.000000 
1 1 1 0  2  42 o 15.58111 9.245518 3.166071       4.905321      3.166071       4.905321      3.166071       4.905321      15.58111 9.245518 15.58111 9.245518 -0.000000      0.000000 
1 1 1 0  2  43 o 138.7507 3.620460 194.9659       10.03168      194.9659       10.03168      194.9659       10.03168      138.7507 3.620460 138.7507 3.620460 0.000000       0.000000 
1 1 1 0  2  44 o 29.48618 9.092052 11.42733       4.679324      11.42733       4.679324      11.42733       4.679324      29.48618 9.092052 29.48618 9.092052 -0.000000      0.000000 
1 1 1 0  2  45 o 131.8138 3.247972 176.6170       8.551013      176.6170       8.551013      176.6170       8.551013      131.8138 3.247972 131.8138 3.247972 0.000000       0.000000 
1 1 1 0  2  46 o 49.60349 4.671628 26.24814       4.558179      26.24814       4.558179      26.24814       4.558179      49.60349 4.671628 49.60349 4.671628 -0.000000      0.000000 
1 1 1 0  3  1  o 954.8196 9.740691 9124.859       185.9686      9124.859       185.9686      9124.859       185.9686      954.8196 9.740691 954.8196 9.740691 0.000000       0.000000 
1 1 1 0  3  2  o 1216.947 12.42318 14827.90       302.2964      14827.90       302.2964      14827.90       302.2964      1216.947 12.42318 1216.947 12.42318 0.000000       0.000000 
1 1 1 0  3  3  o 413.5123 4.961473 1710.911       41.01936      1710.911       41.01936      1710.911       41.01936      413.5123 4.961473 413.5123 4.961473 0.000000       0.000000 
1 1 1 0  3  4  o 655.0822 7.767404 4294.635       101.7337      4294.635       101.7337      4294.635       101.7337      655.0822 7.767404 655.0822 7.767404 0.000000       0.000000 
1 1 1 0  3  5  o 364.7537 4.402632 1331.181       32.10704      1331.181       32.10704      1331.181       32.10704      364.7537 4.402632 364.7537 4.402632 0.000000       0.000000 
1 1 1 0  3  6  o 217.9230 2.787066 475.1586       12.14286      475.1586       12.14286      475.1586       12.14286      217.9230 2.787066 217.9230 2.787066 0.000000       0.000000 
1 1 1 0  3  7  o 263.3284 3.276668 693.7868       17.25080      693.7868       17.25080      693.7868       17.25080      263.3284 3.276668 263.3284 3.276668 0.000000       0.000000 
1 1 1 0  3  8  o 149.8975 1.768876 224.7917       5.301345      224.7917       5.301345      224.7917       5.301345      149.8975 1.768876 149.8975 1.768876 0.000000       0.000000 
1 1 1 0  3  9  o 282.3541 3.522738 797.7167       19.88624      797.7167       19.88624      797.7167       19.88624      282.3541 3.522738 282.3541 3.522738 -0.000000      0.000000 
1 1 1 0  3  10 o 580.5992 8.508942 3376.481       98.75818      3376.481       98.75818      3376.481       98.75818      580.5992 8.508942 580.5992 8.508942 -0.000000      0.000000 
1 1 1 0  3  11 o 235.8107 3.838796 556.6306       18.09386      556.6306       18.09386      556.6306       18.09386      235.8107 3.838796 235.8107 3.838796 0.000000       0.000000 
1 1 1 0  3  12 o 51.82406 3.871341 27.31082       3.968038      27.31082       3.968038      27.31082       3.968038      51.82406 3.871341 51.82406 3.871341 -0.000000      0.000000 
1 1 1 0  3  13 o 56.38610 3.744538 32.22039       4.184825      32.22039       4.184825      32.22039       4.184825      56.38610 3.744538 56.38610 3.744538 0.000000       0.000000 
1 1 1 0  3  14 o 142.3614 3.011253 202.9714       8.565183      202.9714       8.565183      202.9714       8.565183      142.3614 3.011253 142.3614 3.011253 -0.000000      0.000000 
1 1 1 0  3  15 o 721.5196 10.54070 5217.748       152.0338      5217.748       152.0338      5217.748       152.0338      721.5196 10.54070 721.5196 10.54070 0.000000       0.000000 
1 1 1 0  3  16 o 343.5782 5.293857 1181.698       36.35775      1181.698       36.35775      1181.698       36.35775      343.5782 5.293857 343.5782 5.293857 0.000000       0.000000 
1 1 1 0  3  17 o 353.6341 5.437958 1251.834       38.44059      1251.834       38.44059      1251.834       38.44059      353.6341 5.437958 353.6341 5.437958 -0.000000      0.000000 
1 1 1 0  3  18 o 159.1190 3.335840 253.5549       10.60552      253.5549       10.60552      253.5549       10.60552      159.1190 3.335840 159.1190 3.335840 0.000000       0.000000 
1 1 1 0  3  19 o 52.15491 5.266439 28.03344       5.392026      28.03344       5.392026      28.03344       5.392026      52.15491 5.266439 52.15491 5.266439 0.000000       0.000000 
1 1 1 0  3  20 o 204.9532 5.466660 421.1037       22.37291      421.1037       22.37291      421.1037       22.37291      204.9532 5.466660 204.9532 5.466660 -0.000000      0.000000 
1 1 1 0  3  21 o 84.27422 4.670505 71.69532       7.821308      71.69532       7.821308      71.69532       7.821308      84.27422 4.670505 84.27422 4.670505 0.000000       0.000000 
1 1 1 0  3  22 o 365.0250 5.786930 1334.015       42.22372      1334.015       42.22372      1334.015       42.22372      365.0250 5.786930 365.0250 5.786930 0.000000       0.000000 
1 1 1 0  3  23 o 362.4725 5.741629 1315.595       41.60029      1315.595       41.60029      1315.595       41.60029      362.4725 5.741629 362.4725 5.741629 0.000000       0.000000 
1 1 1 0  3  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  25 o 62.77491 5.340691 40.28257       6.611980      40.28257       6.611980      40.28257       6.611980      62.77491 5.340691 62.77491 5.340691 0.000000       0.000000 
1 1 1 0  3  26 o 791.6782 11.62106 6297.428       183.9141      6297.428       183.9141      6297.428       183.9141      791.6782 11.62106 791.6782 11.62106 -0.000000      0.000000 
1 1 1 0  3  27 o 55.33723 5.638132 31.61112       6.123149      31.61112       6.123149      31.61112       6.123149      55.33723 5.638132 55.33723 5.638132 0.000000       0.000000 
1 1 1 0  3  28 o 216.3239 4.016552 468.8534       17.36415      468.8534       17.36415      468.8534       17.36415      216.3239 4.016552 216.3239 4.016552 -0.000000      0.000000 
1 1 1 0  3  29 o 34.42147 9.333303 14.21863       5.543635      14.21863       5.543635      14.21863       5.543635      34.42147 9.333303 34.42147 9.333303 -0.000000      0.000000 
1 1 1 0  3  30 o 193.4757 3.826161 375.1960       14.79247      375.1960       14.79247      375.1960       14.79247      193.4757 3.826161 193.4757 3.826161 0.000000       0.000000 
1 1 1 0  3  31 o 437.6961 6.707737 1926.280       58.68814      1926.280       58.68814      1926.280       58.68814      437.6961 6.707737 437.6961 6.707737 -0.000000      0.000000 
1 1 1 0  3  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  33 o 132.1962 3.609942 175.4835       9.528677      175.4835       9.528677      175.4835       9.528677      132.1962 3.609942 132.1962 3.609942 -0.000000      0.000000 
1 1 1 0  3  34 o 333.0519 5.381645 1115.103       35.82641      1115.103       35.82641      1115.103       35.82641      333.0519 5.381645 333.0519 5.381645 -0.000000      0.000000 
1 1 1 0  3  35 o 263.5393 4.567665 697.6125       24.05902      697.6125       24.05902      697.6125       24.05902      263.5393 4.567665 263.5393 4.567665 -0.000000      0.000000 
1 1 1 0  3  36 o 24.81474 11.22222 9.117774       5.951704      9.117774       5.951704      9.117774       5.951704      24.81474 11.22222 24.81474 11.22222 0.000000       0.000000 
1 1 1 0  3  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  38 f 84.45290 4.515186 72.33293       7.580434      72.33293       7.580434      72.33293       7.580434      84.45290 4.515186 84.45290 4.515186 -0.000000      0.000000 
1 1 1 0  3  39 o 106.3575 3.968702 114.2024       8.416408      114.2024       8.416408      114.2024       8.416408      106.3575 3.968702 106.3575 3.968702 -0.000000      0.000000 
1 1 1 0  3  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  3  41 o 11.40059 7.907541 -3.579807      5.825599      -3.579807      5.825599      -3.579807      5.825599      11.40059 7.907541 11.40059 7.907541 0.000000       0.000000 
1 1 1 0  3  42 o 16.79264 9.908058 3.846185       5.580475      3.846185       5.580475      3.846185       5.580475      16.79264 9.908058 16.79264 9.908058 -0.000000      0.000000 
1 1 1 0  3  43 o 10.93161 7.712977 -5.312680      6.235793      -5.312680      6.235793      -5.312680      6.235793      10.93161 7.712977 10.93161 7.712977 -0.000000      0.000000 
1 1 1 0  3  44 o 56.32631 6.214948 34.16154       6.852854      34.16154       6.852854      34.16154       6.852854      56.32631 6.214948 56.32631 6.214948 0.000000       0.000000 
1 1 1 0  3  45 f 74.09228 4.182001 56.78949       6.155738      56.78949       6.155738      56.78949       6.155738      74.09228 4.182001 74.09228 4.182001 -0.000000      0.000000 
1 1 1 0  3  46 o 8.922591 6.332007 -3.887275      4.369730      -3.887275      4.369730      -3.887275      4.369730      8.922591 6.332007 8.922591 6.332007 -0.000000      0.000000 
1 1 1 0  4  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  1  o 416.8672 4.341494 1738.541       36.18772      1738.541       36.18772      1738.541       36.18772      416.8672 4.341494 416.8672 4.341494 0.000000       0.000000 
1 1 1 0  4  2  o 312.4996 3.325471 976.9550       20.77889      976.9550       20.77889      976.9550       20.77889      312.4996 3.325471 312.4996 3.325471 0.000000       0.000000 
1 1 1 0  4  3  o 298.9494 3.195317 894.0662       19.09986      894.0662       19.09986      894.0662       19.09986      298.9494 3.195317 298.9494 3.195317 0.000000       0.000000 
1 1 1 0  4  4  o 127.3643 1.702778 162.3063       4.335725      162.3063       4.335725      162.3063       4.335725      127.3643 1.702778 127.3643 1.702778 0.000000       0.000000 
1 1 1 0  4  5  o 272.8159 2.948155 744.5828       16.08185      744.5828       16.08185      744.5828       16.08185      272.8159 2.948155 272.8159 2.948155 -0.000000      0.000000 
1 1 1 0  4  6  o 471.3903 4.884095 2223.122       46.03519      2223.122       46.03519      2223.122       46.03519      471.3903 4.884095 471.3903 4.884095 0.000000       0.000000 
1 1 1 0  4  7  o 775.2035 9.182929 6015.464       142.3280      6015.464       142.3280      6015.464       142.3280      775.2035 9.182929 775.2035 9.182929 -0.000000      0.000000 
1 1 1 0  4  8  o 83.85112 1.895134 70.42011       3.174572      70.42011       3.174572      70.42011       3.174572      83.85112 1.895134 83.85112 1.895134 -0.000000      0.000000 
1 1 1 0  4  9  o 114.6219 2.804543 131.6304       6.420699      131.6304       6.420699      131.6304       6.420699      114.6219 2.804543 114.6219 2.804543 0.000000       0.000000 
1 1 1 0  4  10 o 541.6179 6.482711 2936.533       70.20049      2936.533       70.20049      2936.533       70.20049      541.6179 6.482711 541.6179 6.482711 0.000000       0.000000 
1 1 1 0  4  11 o 397.8001 4.171063 1583.390       33.17680      1583.390       33.17680      1583.390       33.17680      397.8001 4.171063 397.8001 4.171063 -0.000000      0.000000 
1 1 1 0  4  12 o 473.0985 7.044610 2241.542       66.62281      2241.542       66.62281      2241.542       66.62281      473.0985 7.044610 473.0985 7.044610 -0.000000      0.000000 
1 1 1 0  4  13 o 59.53447 4.034803 35.93976       4.759379      35.93976       4.759379      35.93976       4.759379      59.53447 4.034803 59.53447 4.034803 -0.000000      0.000000 
1 1 1 0  4  14 o 646.2067 9.493270 4184.825       122.6330      4184.825       122.6330      4184.825       122.6330      646.2067 9.493270 646.2067 9.493270 -0.000000      0.000000 
1 1 1 0  4  15 o 166.3426 3.337786 277.0755       11.09435      277.0755       11.09435      277.0755       11.09435      166.3426 3.337786 166.3426 3.337786 -0.000000      0.000000 
1 1 1 0  4  16 o 56.52731 4.815852 32.65254       5.368648      32.65254       5.368648      32.65254       5.368648      56.52731 4.815852 56.52731 4.815852 -0.000000      0.000000 
1 1 1 0  4  17 o 464.6455 6.989783 2161.487       64.92252      2161.487       64.92252      2161.487       64.92252      464.6455 6.989783 464.6455 6.989783 0.000000       0.000000 
1 1 1 0  4  18 o 313.1347 7.065715 982.6226       44.20031      982.6226       44.20031      982.6226       44.20031      313.1347 7.065715 313.1347 7.065715 0.000000       0.000000 
1 1 1 0  4  19 o 503.8540 7.561414 2541.925       76.15857      2541.925       76.15857      2541.925       76.15857      503.8540 7.561414 503.8540 7.561414 0.000000       0.000000 
1 1 1 0  4  20 o 95.17872 4.076501 91.10690       7.729208      91.10690       7.729208      91.10690       7.729208      95.17872 4.076501 95.17872 4.076501 -0.000000      0.000000 
1 1 1 0  4  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  22 o 17.67853 11.56012 -0.5717915     9.727042      -0.5717915     9.727042      -0.5717915     9.727042      17.67853 11.56012 17.67853 11.56012 -0.000000      0.000000 
1 1 1 0  4  23 o 132.1108 4.246058 175.1293       11.19354      175.1293       11.19354      175.1293       11.19354      132.1108 4.246058 132.1108 4.246058 -0.000000      0.000000 
1 1 1 0  4  24 o 419.8273 6.507906 1765.462       54.61454      1765.462       54.61454      1765.462       54.61454      419.8273 6.507906 419.8273 6.507906 -0.000000      0.000000 
1 1 1 0  4  25 f 472.4699 7.178646 2236.582       67.79884      2236.582       67.79884      2236.582       67.79884      472.4699 7.178646 472.4699 7.178646 0.000000       0.000000 
1 1 1 0  4  26 o 64.10201 5.705550 42.10329       7.204955      42.10329       7.204955      42.10329       7.204955      64.10201 5.705550 64.10201 5.705550 -0.000000      0.000000 
1 1 1 0  4  27 o 106.7287 4.028412 114.4858       8.572267      114.4858       8.572267      114.4858       8.572267      106.7287 4.028412 106.7287 4.028412 0.000000       0.000000 
1 1 1 0  4  28 o 76.17243 4.696504 58.75191       7.098687      58.75191       7.098687      58.75191       7.098687      76.17243 4.696504 76.17243 4.696504 0.000000       0.000000 
1 1 1 0  4  29 o 193.5919 3.932101 375.6212       15.21046      375.6212       15.21046      375.6212       15.21046      193.5919 3.932101 193.5919 3.932101 -0.000000      0.000000 
1 1 1 0  4  30 f 199.5029 3.968288 399.0001       15.81973      399.0001       15.81973      399.0001       15.81973      199.5029 3.968288 199.5029 3.968288 0.000000       0.000000 
1 1 1 0  4  31 o 203.9585 4.015374 417.2072       16.36524      417.2072       16.36524      417.2072       16.36524      203.9585 4.015374 203.9585 4.015374 0.000000       0.000000 
1 1 1 0  4  32 o 167.9655 3.766527 283.0265       12.63878      283.0265       12.63878      283.0265       12.63878      167.9655 3.766527 167.9655 3.766527 -0.000000      0.000000 
1 1 1 0  4  33 o 138.1535 3.801084 191.7071       10.48509      191.7071       10.48509      191.7071       10.48509      138.1535 3.801084 138.1535 3.801084 0.000000       0.000000 
1 1 1 0  4  34 f 277.8919 6.718683 779.2970       37.29290      779.2970       37.29290      779.2970       37.29290      277.8919 6.718683 277.8919 6.718683 0.000000       0.000000 
1 1 1 0  4  35 o 273.4860 6.731266 755.2096       36.76865      755.2096       36.76865      755.2096       36.76865      273.4860 6.731266 273.4860 6.731266 -0.000000      0.000000 
1 1 1 0  4  36 o 132.1882 5.606288 176.7587       14.76414      176.7587       14.76414      176.7587       14.76414      132.1882 5.606288 132.1882 5.606288 -0.000000      0.000000 
1 1 1 0  4  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  38 o 18.39070 11.69487 1.993583       9.146112      1.993583       9.146112      1.993583       9.146112      18.39070 11.69487 18.39070 11.69487 -0.000000      0.000000 
1 1 1 0  4  39 o 81.33805 6.970299 68.70565       11.17937      68.70565       11.17937      68.70565       11.17937      81.33805 6.970299 81.33805 6.970299 -0.000000      0.000000 
1 1 1 0  4  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  41 o 38.19865 13.52796 20.39633       9.379901      20.39633       9.379901      20.39633       9.379901      38.19865 13.52796 38.19865 13.52796 -0.000000      0.000000 
1 1 1 0  4  42 f 47.61625 12.42329 28.72772       10.20170      28.72772       10.20170      28.72772       10.20170      47.61625 12.42329 47.61625 12.42329 0.000000       0.000000 
1 1 1 0  4  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  4  45 o 35.07719 13.15933 19.36199       8.586436      19.36199       8.586436      19.36199       8.586436      35.07719 13.15933 35.07719 13.15933 0.000000       0.000000 
1 1 1 0  4  46 o 17.00090 10.75892 4.300302       7.658363      4.300302       7.658363      4.300302       7.658363      17.00090 10.75892 17.00090 10.75892 -0.000000      0.000000 
1 1 1 0  5  1  o 86.83665 1.943876 75.52096       3.372230      75.52096       3.372230      75.52096       3.372230      86.83665 1.943876 86.83665 1.943876 0.000000       0.000000 
1 1 1 0  5  2  o 361.8528 3.841285 1309.927       27.79256      1309.927       27.79256      1309.927       27.79256      361.8528 3.841285 361.8528 3.841285 0.000000       0.000000 
1 1 1 0  5  3  o 344.1779 4.225241 1185.240       29.07486      1185.240       29.07486      1185.240       29.07486      344.1779 4.225241 344.1779 4.225241 -0.000000      0.000000 
1 1 1 0  5  4  o 601.5176 6.202461 3620.189       74.59997      3620.189       74.59997      3620.189       74.59997      601.5176 6.202461 601.5176 6.202461 -0.000000      0.000000 
1 1 1 0  5  5  o 273.2029 2.998474 746.7082       16.37940      746.7082       16.37940      746.7082       16.37940      273.2029 2.998474 273.2029 2.998474 -0.000000      0.000000 
1 1 1 0  5  6  o 948.4644 9.701373 9004.422       183.9849      9004.422       183.9849      9004.422       183.9849      948.4644 9.701373 948.4644 9.701373 -0.000000      0.000000 
1 1 1 0  5  7  o 204.8161 2.382220 419.6868       9.755382      419.6868       9.755382      419.6868       9.755382      204.8161 2.382220 204.8161 2.382220 -0.000000      0.000000 
1 1 1 0  5  8  o 746.7524 7.672142 5581.892       114.5566      5581.892       114.5566      5581.892       114.5566      746.7524 7.672142 746.7524 7.672142 -0.000000      0.000000 
1 1 1 0  5  9  o 33.82858 2.693095 11.66112       1.799468      11.66112       1.799468      11.66112       1.799468      33.82858 2.693095 33.82858 2.693095 0.000000       0.000000 
1 1 1 0  5  10 o 66.81374 1.972842 44.75999       2.631190      44.75999       2.631190      44.75999       2.631190      66.81374 1.972842 66.81374 1.972842 -0.000000      0.000000 
1 1 1 0  5  11 o 580.6061 6.957343 3375.064       80.76351      3375.064       80.76351      3375.064       80.76351      580.6061 6.957343 580.6061 6.957343 0.000000       0.000000 
1 1 1 0  5  12 o 219.8941 2.973316 483.8726       13.07094      483.8726       13.07094      483.8726       13.07094      219.8941 2.973316 219.8941 2.973316 0.000000       0.000000 
1 1 1 0  5  13 o 68.18157 2.101229 46.62321       2.859311      46.62321       2.859311      46.62321       2.859311      68.18157 2.101229 68.18157 2.101229 0.000000       0.000000 
1 1 1 0  5  14 o 598.7108 7.208612 3589.017       86.28942      3589.017       86.28942      3589.017       86.28942      598.7108 7.208612 598.7108 7.208612 0.000000       0.000000 
1 1 1 0  5  15 o 1070.290 15.55929 11498.17       332.9015      11498.17       332.9015      11498.17       332.9015      1070.290 15.55929 1070.290 15.55929 0.000000       0.000000 
1 1 1 0  5  16 o 17.45094 9.861885 4.095560       5.209246      4.095560       5.209246      4.095560       5.209246      17.45094 9.861885 17.45094 9.861885 0.000000       0.000000 
1 1 1 0  5  17 o 269.5935 4.535915 727.5800       24.44159      727.5800       24.44159      727.5800       24.44159      269.5935 4.535915 269.5935 4.535915 -0.000000      0.000000 
1 1 1 0  5  18 o 160.7424 5.041930 259.2225       16.17395      259.2225       16.17395      259.2225       16.17395      160.7424 5.041930 160.7424 5.041930 -0.000000      0.000000 
1 1 1 0  5  19 o 730.5817 10.74473 5347.394       156.9221      5347.394       156.9221      5347.394       156.9221      730.5817 10.74473 730.5817 10.74473 -0.000000      0.000000 
1 1 1 0  5  20 o 260.2782 4.573228 678.2717       23.78981      678.2717       23.78981      678.2717       23.78981      260.2782 4.573228 260.2782 4.573228 -0.000000      0.000000 
1 1 1 0  5  21 o 822.5598 17.16035 6801.137       282.0347      6801.137       282.0347      6801.137       282.0347      822.5598 17.16035 822.5598 17.16035 -0.000000      0.000000 
1 1 1 0  5  22 o 169.8072 4.766573 289.1192       16.15978      289.1192       16.15978      289.1192       16.15978      169.8072 4.766573 169.8072 4.766573 0.000000       0.000000 
1 1 1 0  5  23 o 306.7484 5.207934 942.2409       31.92992      942.2409       31.92992      942.2409       31.92992      306.7484 5.207934 306.7484 5.207934 -0.000000      0.000000 
1 1 1 0  5  24 o 389.7822 6.156780 1521.754       47.96927      1521.754       47.96927      1521.754       47.96927      389.7822 6.156780 389.7822 6.156780 -0.000000      0.000000 
1 1 1 0  5  25 o 532.5243 8.039506 2842.309       85.58098      2842.309       85.58098      2842.309       85.58098      532.5243 8.039506 532.5243 8.039506 0.000000       0.000000 
1 1 1 0  5  26 o 427.1019 6.636064 1828.514       56.65489      1828.514       56.65489      1828.514       56.65489      427.1019 6.636064 427.1019 6.636064 -0.000000      0.000000 
1 1 1 0  5  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  28 o 210.1817 5.807343 443.6325       24.37074      443.6325       24.37074      443.6325       24.37074      210.1817 5.807343 210.1817 5.807343 -0.000000      0.000000 
1 1 1 0  5  29 o 239.2491 6.217349 575.0503       29.70539      575.0503       29.70539      575.0503       29.70539      239.2491 6.217349 239.2491 6.217349 0.000000       0.000000 
1 1 1 0  5  30 o 63.31631 7.565545 41.97577       9.351563      41.97577       9.351563      41.97577       9.351563      63.31631 7.565545 63.31631 7.565545 -0.000000      0.000000 
1 1 1 0  5  31 o 13.17549 9.152670 -5.611646      7.934660      -5.611646      7.934660      -5.611646      7.934660      13.17549 9.152670 13.17549 9.152670 0.000000       0.000000 
1 1 1 0  5  32 o 130.0917 5.439115 170.7369       14.09819      170.7369       14.09819      170.7369       14.09819      130.0917 5.439115 130.0917 5.439115 0.000000       0.000000 
1 1 1 0  5  33 o 133.3320 5.455427 179.4508       14.49492      179.4508       14.49492      179.4508       14.49492      133.3320 5.455427 133.3320 5.455427 0.000000       0.000000 
1 1 1 0  5  34 o 43.65830 8.690645 21.33148       6.748003      21.33148       6.748003      21.33148       6.748003      43.65830 8.690645 43.65830 8.690645 -0.000000      0.000000 
1 1 1 0  5  35 o 115.7995 4.295427 135.1018       9.918325      135.1018       9.918325      135.1018       9.918325      115.7995 4.295427 115.7995 4.295427 0.000000       0.000000 
1 1 1 0  5  36 o 173.3428 4.282844 302.1547       14.82790      302.1547       14.82790      302.1547       14.82790      173.3428 4.282844 173.3428 4.282844 -0.000000      0.000000 
1 1 1 0  5  37 o 20.00109 12.15768 4.437033       8.883986      4.437033       8.883986      4.437033       8.883986      20.00109 12.15768 20.00109 12.15768 -0.000000      0.000000 
1 1 1 0  5  38 o 14.06831 9.544933 -2.951410      7.715039      -2.951410      7.715039      -2.951410      7.715039      14.06831 9.544933 14.06831 9.544933 0.000000       0.000000 
1 1 1 0  5  39 o 9.782446 7.139097 -13.22680      7.240376      -13.22680      7.240376      -13.22680      7.240376      9.782446 7.139097 9.782446 7.139097 0.000000       0.000000 
1 1 1 0  5  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  41 o 40.65074 10.52679 20.27589       7.382068      20.27589       7.382068      20.27589       7.382068      40.65074 10.52679 40.65074 10.52679 0.000000       0.000000 
1 1 1 0  5  42 o 52.29132 7.754634 29.66996       7.771716      29.66996       7.771716      29.66996       7.771716      52.29132 7.754634 52.29132 7.754634 -0.000000      0.000000 
1 1 1 0  5  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  5  45 o 9.515386 6.824838 -6.079933      5.470665      -6.079933      5.470665      -6.079933      5.470665      9.515386 6.824838 9.515386 6.824838 -0.000000      0.000000 
1 1 1 0  5  46 o 14.55388 9.212793 2.619146       5.618731      2.619146       5.618731      2.619146       5.618731      14.55388 9.212793 14.55388 9.212793 -0.000000      0.000000 
1 1 1 0  6  0  o 380.2960 5.720124 1447.367       43.48477      1447.367       43.48477      1447.367       43.48477      380.2960 5.720124 380.2960 5.720124 0.000000       0.000000 
1 1 1 0  6  1  o 510.1265 5.318230 2603.560       54.24615      2603.560       54.24615      2603.560       54.24615      510.1265 5.318230 510.1265 5.318230 -0.000000      0.000000 
1 1 1 0  6  2  o 49.63840 2.379442 24.80998       2.350643      24.80998       2.350643      24.80998       2.350643      49.63840 2.379442 49.63840 2.379442 0.000000       0.000000 
1 1 1 0  6  3  o 57.06174 2.221629 32.70922       2.527048      32.70922       2.527048      32.70922       2.527048      57.06174 2.221629 57.06174 2.221629 0.000000       0.000000 
1 1 1 0  6  4  o 122.6912 2.247874 150.6877       5.511755      150.6877       5.511755      150.6877       5.511755      122.6912 2.247874 122.6912 2.247874 -0.000000      0.000000 
1 1 1 0  6  5  o 124.0006 1.917264 153.8757       4.752295      153.8757       4.752295      153.8757       4.752295      124.0006 1.917264 124.0006 1.917264 0.000000       0.000000 
1 1 1 0  6  6  o 92.83349 1.882107 86.28942       3.491250      86.28942       3.491250      86.28942       3.491250      92.83349 1.882107 92.83349 1.882107 0.000000       0.000000 
1 1 1 0  6  7  o 28.00173 3.991734 8.111773       2.168571      8.111773       2.168571      8.111773       2.168571      28.00173 3.991734 28.00173 3.991734 0.000000       0.000000 
1 1 1 0  6  8  o 237.9195 2.723903 566.3363       12.95758      566.3363       12.95758      566.3363       12.95758      237.9195 2.723903 237.9195 2.723903 -0.000000      0.000000 
1 1 1 0  6  9  o 599.9407 6.212871 3602.477       74.52913      3602.477       74.52913      3602.477       74.52913      599.9407 6.212871 599.9407 6.212871 -0.000000      0.000000 
1 1 1 0  6  10 o 1057.541 10.84162 11207.71       229.2550      11207.71       229.2550      11207.71       229.2550      1057.541 10.84162 1057.541 10.84162 0.000000       0.000000 
1 1 1 0  6  11 o 190.6865 2.620373 363.8608       9.989170      363.8608       9.989170      363.8608       9.989170      190.6865 2.620373 190.6865 2.620373 -0.000000      0.000000 
1 1 1 0  6  12 o 110.5636 1.820232 122.3496       4.022589      122.3496       4.022589      122.3496       4.022589      110.5636 1.820232 110.5636 1.820232 -0.000000      0.000000 
1 1 1 0  6  13 o 203.9560 2.873905 416.2863       11.71779      416.2863       11.71779      416.2863       11.71779      203.9560 2.873905 203.9560 2.873905 0.000000       0.000000 
1 1 1 0  6  14 o 123.4339 2.301613 152.5297       5.677533      152.5297       5.677533      152.5297       5.677533      123.4339 2.301613 123.4339 2.301613 -0.000000      0.000000 
1 1 1 0  6  15 o 293.1694 3.791744 860.0605       22.22413      860.0605       22.22413      860.0605       22.22413      293.1694 3.791744 293.1694 3.791744 -0.000000      0.000000 
1 1 1 0  6  16 o 88.72291 2.079835 78.85069       3.686074      78.85069       3.686074      78.85069       3.686074      88.72291 2.079835 88.72291 2.079835 0.000000       0.000000 
1 1 1 0  6  17 o 326.7835 5.285315 1069.054       34.52285      1069.054       34.52285      1069.054       34.52285      326.7835 5.285315 326.7835 5.285315 0.000000       0.000000 
1 1 1 0  6  18 o 57.79698 5.860769 34.43784       6.648820      34.43784       6.648820      34.43784       6.648820      57.79698 5.860769 57.79698 5.860769 0.000000       0.000000 
1 1 1 0  6  19 o 158.9621 3.945145 253.2007       12.52543      253.2007       12.52543      253.2007       12.52543      158.9621 3.945145 158.9621 3.945145 0.000000       0.000000 
1 1 1 0  6  20 o 237.0868 4.485814 562.8649       21.25355      562.8649       21.25355      562.8649       21.25355      237.0868 4.485814 237.0868 4.485814 -0.000000      0.000000 
1 1 1 0  6  21 o 836.0525 17.46872 7026.425       291.8113      7026.425       291.8113      7026.425       291.8113      836.0525 17.46872 836.0525 17.46872 -0.000000      0.000000 
1 1 1 0  6  22 o 168.2839 4.888329 284.0183       16.42191      284.0183       16.42191      284.0183       16.42191      168.2839 4.888329 168.2839 4.888329 0.000000       0.000000 
1 1 1 0  6  23 o 90.49715 7.660052 83.73900       13.67312      83.73900       13.67312      83.73900       13.67312      90.49715 7.660052 90.49715 7.660052 0.000000       0.000000 
1 1 1 0  6  24 o 463.9542 10.13468 2160.778       93.94070      2160.778       93.94070      2160.778       93.94070      463.9542 10.13468 463.9542 10.13468 -0.000000      0.000000 
1 1 1 0  6  25 o 641.3908 13.56641 4139.484       173.8541      4139.484       173.8541      4139.484       173.8541      641.3908 13.56641 641.3908 13.56641 -0.000000      0.000000 
1 1 1 0  6  26 o 135.7417 5.665818 185.4727       15.32381      185.4727       15.32381      185.4727       15.32381      135.7417 5.665818 135.7417 5.665818 -0.000000      0.000000 
1 1 1 0  6  27 o 15.53409 10.47839 -3.347435      9.096521      -3.347435      9.096521      -3.347435      9.096521      15.53409 10.47839 15.53409 10.47839 -0.000000      0.000000 
1 1 1 0  6  28 o 15.57649 10.04812 0.4284716      7.027842      0.4284716      7.027842      0.4284716      7.027842      15.57649 10.04812 15.57649 10.04812 -0.000000      0.000000 
1 1 1 0  6  29 o 495.4100 7.633272 2466.121       75.59180      2466.121       75.59180      2466.121       75.59180      495.4100 7.633272 495.4100 7.633272 0.000000       0.000000 
1 1 1 0  6  30 o 44.71619 8.753160 22.20288       6.984626      22.20288       6.984626      22.20288       6.984626      44.71619 8.753160 44.71619 8.753160 0.000000       0.000000 
1 1 1 0  6  31 o 154.0009 4.063739 238.1106       12.49709      238.1106       12.49709      238.1106       12.49709      154.0009 4.063739 154.0009 4.063739 0.000000       0.000000 
1 1 1 0  6  32 o 164.5003 4.081859 271.6913       13.41099      271.6913       13.41099      271.6913       13.41099      164.5003 4.081859 164.5003 4.081859 0.000000       0.000000 
1 1 1 0  6  33 o 163.7789 4.136858 269.4242       13.53143      269.4242       13.53143      269.4242       13.53143      163.7789 4.136858 163.7789 4.136858 -0.000000      0.000000 
1 1 1 0  6  34 o 177.1895 4.187387 315.4736       14.82081      315.4736       14.82081      315.4736       14.82081      177.1895 4.187387 177.1895 4.187387 0.000000       0.000000 
1 1 1 0  6  35 o 139.5533 4.339547 196.0286       12.08619      196.0286       12.08619      196.0286       12.08619      139.5533 4.339547 139.5533 4.339547 -0.000000      0.000000 
1 1 1 0  6  36 o 23.45670 13.16146 7.955913       9.195704      7.955913       9.195704      7.955913       9.195704      23.45670 13.16146 23.45670 13.16146 0.000000       0.000000 
1 1 1 0  6  37 o 151.7448 4.671448 232.3013       14.14778      232.3013       14.14778      232.3013       14.14778      151.7448 4.671448 151.7448 4.671448 -0.000000      0.000000 
1 1 1 0  6  38 o 18.86420 11.57818 3.659153       8.225125      3.659153       8.225125      3.659153       8.225125      18.86420 11.57818 18.86420 11.57818 0.000000       0.000000 
1 1 1 0  6  39 o 30.17860 12.81510 13.49601       7.800055      13.49601       7.800055      13.49601       7.800055      30.17860 12.81510 30.17860 12.81510 -0.000000      0.000000 
1 1 1 0  6  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  41 o 17.67210 11.01376 3.116479       7.672533      3.116479       7.672533      3.116479       7.672533      17.67210 11.01376 17.67210 11.01376 0.000000       0.000000 
1 1 1 0  6  42 o 36.50944 15.59766 21.56527       11.54068      21.56527       11.54068      21.56527       11.54068      36.50944 15.59766 36.50944 15.59766 0.000000       0.000000 
1 1 1 0  6  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  6  44 f 13.80323 9.604391 -4.490876      9.018591      -4.490876      9.018591      -4.490876      9.018591      13.80323 9.604391 13.80323 9.604391 -0.000000      0.000000 
1 1 1 0  6  45 o 13.84954 9.422008 -1.226330      7.587519      -1.226330      7.587519      -1.226330      7.587519      13.84954 9.422008 13.84954 9.422008 0.000000       0.000000 
1 1 1 0  6  46 o 12.70505 8.838017 -3.008795      7.622942      -3.008795      7.622942      -3.008795      7.622942      12.70505 8.838017 12.70505 8.838017 0.000000       0.000000 
1 1 1 0  7  1  o 567.4226 6.825504 3222.039       77.43378      3222.039       77.43378      3222.039       77.43378      567.4226 6.825504 567.4226 6.825504 0.000000       0.000000 
1 1 1 0  7  2  o 395.5953 4.228385 1565.678       33.44601      1565.678       33.44601      1565.678       33.44601      395.5953 4.228385 395.5953 4.228385 -0.000000      0.000000 
1 1 1 0  7  3  o 47.28326 2.799020 22.59253       2.627648      22.59253       2.627648      22.59253       2.627648      47.28326 2.799020 47.28326 2.799020 0.000000       0.000000 
1 1 1 0  7  4  o 365.0585 3.930845 1333.306       28.69230      1333.306       28.69230      1333.306       28.69230      365.0585 3.930845 365.0585 3.930845 0.000000       0.000000 
1 1 1 0  7  5  o 108.0928 2.003489 116.9654       4.327932      116.9654       4.327932      116.9654       4.327932      108.0928 2.003489 108.0928 2.003489 0.000000       0.000000 
1 1 1 0  7  6  o 312.8238 3.445545 979.0804       21.55110      979.0804       21.55110      979.0804       21.55110      312.8238 3.445545 312.8238 3.445545 -0.000000      0.000000 
1 1 1 0  7  7  o 418.0186 4.443159 1748.459       37.13704      1748.459       37.13704      1748.459       37.13704      418.0186 4.443159 418.0186 4.443159 -0.000000      0.000000 
1 1 1 0  7  8  f 42.29299 3.114213 18.17887       2.605685      18.17887       2.605685      18.17887       2.605685      42.29299 3.114213 42.29299 3.114213 -0.000000      0.000000 
1 1 1 0  7  9  o 272.0186 3.076708 740.3321       16.73363      740.3321       16.73363      740.3321       16.73363      272.0186 3.076708 272.0186 3.076708 -0.000000      0.000000 
1 1 1 0  7  10 o 170.1147 2.545819 289.6151       8.657280      289.6151       8.657280      289.6151       8.657280      170.1147 2.545819 170.1147 2.545819 -0.000000      0.000000 
1 1 1 0  7  11 o 372.7079 4.006073 1389.982       29.85416      1389.982       29.85416      1389.982       29.85416      372.7079 4.006073 372.7079 4.006073 -0.000000      0.000000 
1 1 1 0  7  12 o 232.5404 2.732101 541.0447       12.70254      541.0447       12.70254      541.0447       12.70254      232.5404 2.732101 232.5404 2.732101 -0.000000      0.000000 
1 1 1 0  7  13 o 83.53922 1.982244 69.91003       3.307761      69.91003       3.307761      69.91003       3.307761      83.53922 1.982244 83.53922 1.982244 -0.000000      0.000000 
1 1 1 0  7  14 o 229.7718 2.715683 528.2216       12.47583      528.2216       12.47583      528.2216       12.47583      229.7718 2.715683 229.7718 2.715683 0.000000       0.000000 
1 1 1 0  7  15 o 440.2190 4.660948 1939.033       41.02644      1939.033       41.02644      1939.033       41.02644      440.2190 4.660948 440.2190 4.660948 -0.000000      0.000000 
1 1 1 0  7  16 o 282.9971 3.172688 801.2590       17.95217      801.2590       17.95217      801.2590       17.95217      282.9971 3.172688 282.9971 3.172688 -0.000000      0.000000 
1 1 1 0  7  17 o 61.76238 5.638335 39.10654       6.855688      39.10654       6.855688      39.10654       6.855688      61.76238 5.638335 61.76238 5.638335 0.000000       0.000000 
1 1 1 0  7  18 o 638.9638 7.719434 4087.059       98.61649      4087.059       98.61649      4087.059       98.61649      638.9638 7.719434 638.9638 7.719434 -0.000000      0.000000 
1 1 1 0  7  19 o 598.9282 12.71081 3599.644       152.1046      3599.644       152.1046      3599.644       152.1046      598.9282 12.71081 598.9282 12.71081 0.000000       0.000000 
1 1 1 0  7  20 o 27.19837 15.67351 9.549930       13.45350      9.549930       13.45350      9.549930       13.45350      27.19837 15.67351 27.19837 15.67351 0.000000       0.000000 
1 1 1 0  7  21 o 213.8263 6.763893 458.8643       28.86232      458.8643       28.86232      458.8643       28.86232      213.8263 6.763893 213.8263 6.763893 0.000000       0.000000 
1 1 1 0  7  22 o 662.0147 14.02221 4403.736       185.4727      4403.736       185.4727      4403.736       185.4727      662.0147 14.02221 662.0147 14.02221 0.000000       0.000000 
1 1 1 0  7  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  24 o 602.4739 9.082603 3639.317       109.3850      3639.317       109.3850      3639.317       109.3850      602.4739 9.082603 602.4739 9.082603 0.000000       0.000000 
1 1 1 0  7  25 o 644.1307 9.661610 4163.571       124.4041      4163.571       124.4041      4163.571       124.4041      644.1307 9.661610 644.1307 9.661610 0.000000       0.000000 
1 1 1 0  7  26 o 108.5043 4.726919 118.5240       10.21588      118.5240       10.21588      118.5240       10.21588      108.5043 4.726919 108.5043 4.726919 0.000000       0.000000 
1 1 1 0  7  27 o 255.7325 4.754707 655.4595       24.29990      655.4595       24.29990      655.4595       24.29990      255.7325 4.754707 255.7325 4.754707 -0.000000      0.000000 
1 1 1 0  7  28 o 68.71736 6.101742 48.43685       8.260548      48.43685       8.260548      48.43685       8.260548      68.71736 6.101742 68.71736 6.101742 -0.000000      0.000000 
1 1 1 0  7  29 o 308.7910 5.338906 956.4099       32.95009      956.4099       32.95009      956.4099       32.95009      308.7910 5.338906 308.7910 5.338906 -0.000000      0.000000 
1 1 1 0  7  30 o 134.5002 4.281308 181.7887       11.49109      181.7887       11.49109      181.7887       11.49109      134.5002 4.281308 134.5002 4.281308 -0.000000      0.000000 
1 1 1 0  7  31 o 65.89249 6.052130 44.68914       7.849646      44.68914       7.849646      44.68914       7.849646      65.89249 6.052130 65.89249 6.052130 0.000000       0.000000 
1 1 1 0  7  32 o 248.8366 4.721365 621.8081       23.47809      621.8081       23.47809      621.8081       23.47809      248.8366 4.721365 248.8366 4.721365 0.000000       0.000000 
1 1 1 0  7  33 o 19.50155 12.51792 1.438866       10.70471      1.438866       10.70471      1.438866       10.70471      19.50155 12.51792 19.50155 12.51792 0.000000       0.000000 
1 1 1 0  7  34 o 83.01693 7.884772 71.48279       12.87257      71.48279       12.87257      71.48279       12.87257      83.01693 7.884772 83.01693 7.884772 -0.000000      0.000000 
1 1 1 0  7  35 o 212.0123 6.578432 454.6135       27.83507      454.6135       27.83507      454.6135       27.83507      212.0123 6.578432 212.0123 6.578432 0.000000       0.000000 
1 1 1 0  7  36 o 92.18268 9.717930 89.68999       17.56252      89.68999       17.56252      89.68999       17.56252      92.18268 9.717930 92.18268 9.717930 0.000000       0.000000 
1 1 1 0  7  37 f 118.1827 7.510574 143.4615       17.60503      143.4615       17.60503      143.4615       17.60503      118.1827 7.510574 118.1827 7.510574 -0.000000      0.000000 
1 1 1 0  7  38 o 414.8718 9.814052 1777.505       81.33026      1777.505       81.33026      1777.505       81.33026      414.8718 9.814052 414.8718 9.814052 -0.000000      0.000000 
1 1 1 0  7  39 o 38.02483 15.59657 21.58652       11.65403      21.58652       11.65403      21.58652       11.65403      38.02483 15.59657 38.02483 15.59657 0.000000       0.000000 
1 1 1 0  7  40 o 39.87061 15.35664 23.29390       11.54776      23.29390       11.54776      23.29390       11.54776      39.87061 15.35664 39.87061 15.35664 0.000000       0.000000 
1 1 1 0  7  41 o 68.56956 6.823224 49.63413       9.188620      49.63413       9.188620      49.63413       9.188620      68.56956 6.823224 68.56956 6.823224 0.000000       0.000000 
1 1 1 0  7  42 o 19.99238 11.92262 5.686742       8.225125      5.686742       8.225125      5.686742       8.225125      19.99238 11.92262 19.99238 11.92262 -0.000000      0.000000 
1 1 1 0  7  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  7  44 o 103.5042 4.973207 111.2269       10.24421      111.2269       10.24421      111.2269       10.24421      103.5042 4.973207 103.5042 4.973207 -0.000000      0.000000 
1 1 1 0  7  45 o 92.23373 4.902867 89.19408       8.990252      89.19408       8.990252      89.19408       8.990252      92.23373 4.902867 92.23373 4.902867 0.000000       0.000000 
1 1 1 0  7  46 o 11.99840 8.321731 -2.090641      6.450453      -2.090641      6.450453      -2.090641      6.450453      11.99840 8.321731 11.99840 8.321731 0.000000       0.000000 
1 1 1 0  8  0  o 30.00991 7.765770 10.62678       4.020463      10.62678       4.020463      10.62678       4.020463      30.00991 7.765770 30.00991 7.765770 -0.000000      0.000000 
1 1 1 0  8  1  o 375.2885 4.061622 1409.111       30.47760      1409.111       30.47760      1409.111       30.47760      375.2885 4.061622 375.2885 4.061622 0.000000       0.000000 
1 1 1 0  8  2  o 47.16113 3.050827 22.52168       2.852935      22.52168       2.852935      22.52168       2.852935      47.16113 3.050827 47.16113 3.050827 -0.000000      0.000000 
1 1 1 0  8  3  o 328.9337 3.632272 1082.514       23.88899      1082.514       23.88899      1082.514       23.88899      328.9337 3.632272 328.9337 3.632272 -0.000000      0.000000 
1 1 1 0  8  4  o 207.8608 2.598034 432.2973       10.79680      432.2973       10.79680      432.2973       10.79680      207.8608 2.598034 207.8608 2.598034 0.000000       0.000000 
1 1 1 0  8  5  o 191.7880 2.481406 368.0407       9.514507      368.0407       9.514507      368.0407       9.514507      191.7880 2.481406 191.7880 2.481406 0.000000       0.000000 
1 1 1 0  8  6  o 625.9686 6.509251 3921.989       81.47195      3921.989       81.47195      3921.989       81.47195      625.9686 6.509251 625.9686 6.509251 0.000000       0.000000 
1 1 1 0  8  7  o 153.9530 2.282436 237.1897       7.024299      237.1897       7.024299      237.1897       7.024299      153.9530 2.282436 153.9530 2.282436 -0.000000      0.000000 
1 1 1 0  8  8  o 348.1611 3.815333 1212.870       26.55986      1212.870       26.55986      1212.870       26.55986      348.1611 3.815333 348.1611 3.815333 -0.000000      0.000000 
1 1 1 0  8  9  o 298.9251 3.362797 894.0662       20.09878      894.0662       20.09878      894.0662       20.09878      298.9251 3.362797 298.9251 3.362797 0.000000       0.000000 
1 1 1 0  8  10 o 201.6827 2.579271 407.0056       10.40007      407.0056       10.40007      407.0056       10.40007      201.6827 2.579271 201.6827 2.579271 -0.000000      0.000000 
1 1 1 0  8  11 o 81.26318 2.928836 66.30400       4.746627      66.30400       4.746627      66.30400       4.746627      81.26318 2.928836 81.26318 2.928836 0.000000       0.000000 
1 1 1 0  8  12 o 116.6442 2.344097 136.2353       5.463580      136.2353       5.463580      136.2353       5.463580      116.6442 2.344097 116.6442 2.344097 -0.000000      0.000000 
1 1 1 0  8  13 o 814.7126 8.393376 6645.986       136.7312      6645.986       136.7312      6645.986       136.7312      814.7126 8.393376 814.7126 8.393376 -0.000000      0.000000 
1 1 1 0  8  14 o 78.54645 3.021799 61.97536       4.731750      61.97536       4.731750      61.97536       4.731750      78.54645 3.021799 78.54645 3.021799 -0.000000      0.000000 
1 1 1 0  8  15 o 288.1818 3.703647 831.0139       21.33857      831.0139       21.33857      831.0139       21.33857      288.1818 3.703647 288.1818 3.703647 0.000000       0.000000 
1 1 1 0  8  16 o 259.8755 3.407600 675.7921       17.70421      675.7921       17.70421      675.7921       17.70421      259.8755 3.407600 259.8755 3.407600 0.000000       0.000000 
1 1 1 0  8  17 o 826.8398 12.06548 6852.146       199.4292      6852.146       199.4292      6852.146       199.4292      826.8398 12.06548 826.8398 12.06548 -0.000000      0.000000 
1 1 1 0  8  18 o 48.90781 2.769374 24.15112       2.690700      24.15112       2.690700      24.15112       2.690700      48.90781 2.769374 48.90781 2.769374 0.000000       0.000000 
1 1 1 0  8  19 o 487.1560 5.917164 2375.439       57.63256      2375.439       57.63256      2375.439       57.63256      487.1560 5.917164 487.1560 5.917164 -0.000000      0.000000 
1 1 1 0  8  20 o 127.7586 5.164270 164.0774       13.14886      164.0774       13.14886      164.0774       13.14886      127.7586 5.164270 127.7586 5.164270 -0.000000      0.000000 
1 1 1 0  8  21 o 66.50745 10.91285 47.12621       13.51017      47.12621       13.51017      47.12621       13.51017      66.50745 10.91285 66.50745 10.91285 -0.000000      0.000000 
1 1 1 0  8  22 o 360.3786 6.021236 1300.718       43.37142      1300.718       43.37142      1300.718       43.37142      360.3786 6.021236 360.3786 6.021236 -0.000000      0.000000 
1 1 1 0  8  23 o 152.7564 4.537626 234.0725       13.83606      234.0725       13.83606      234.0725       13.83606      152.7564 4.537626 152.7564 4.537626 0.000000       0.000000 
1 1 1 0  8  24 o 196.6136 4.531054 387.3814       17.79631      387.3814       17.79631      387.3814       17.79631      196.6136 4.531054 196.6136 4.531054 0.000000       0.000000 
1 1 1 0  8  25 o 85.33118 5.757005 73.89152       9.734127      73.89152       9.734127      73.89152       9.734127      85.33118 5.757005 85.33118 5.757005 -0.000000      0.000000 
1 1 1 0  8  26 o 35.96501 12.71563 17.09494       8.295970      17.09494       8.295970      17.09494       8.295970      35.96501 12.71563 35.96501 12.71563 0.000000       0.000000 
1 1 1 0  8  27 o 26.28974 12.76308 10.29380       7.792970      10.29380       7.792970      10.29380       7.792970      26.28974 12.76308 26.28974 12.76308 -0.000000      0.000000 
1 1 1 0  8  28 o 380.3591 8.860765 1456.577       67.32417      1456.577       67.32417      1456.577       67.32417      380.3591 8.860765 380.3591 8.860765 0.000000       0.000000 
1 1 1 0  8  29 f 39.50019 15.64092 21.82740       11.85240      21.82740       11.85240      21.82740       11.85240      39.50019 15.64092 39.50019 15.64092 0.000000       0.000000 
1 1 1 0  8  30 o 241.0739 6.790088 585.4645       32.68088      585.4645       32.68088      585.4645       32.68088      241.0739 6.790088 241.0739 6.790088 0.000000       0.000000 
1 1 1 0  8  31 o 268.6207 7.212844 727.5800       38.68855      727.5800       38.68855      727.5800       38.68855      268.6207 7.212844 268.6207 7.212844 0.000000       0.000000 
1 1 1 0  8  32 o 136.1556 6.420128 187.7397       17.39958      187.7397       17.39958      187.7397       17.39958      136.1556 6.420128 136.1556 6.420128 0.000000       0.000000 
1 1 1 0  8  33 o 133.3937 4.608700 179.1674       12.26330      179.1674       12.26330      179.1674       12.26330      133.3937 4.608700 133.3937 4.608700 0.000000       0.000000 
1 1 1 0  8  34 o 84.98110 5.760138 73.60814       9.698705      73.60814       9.698705      73.60814       9.698705      84.98110 5.760138 84.98110 5.760138 -0.000000      0.000000 
1 1 1 0  8  35 o 57.08542 9.156162 34.97626       9.790804      34.97626       9.790804      34.97626       9.790804      57.08542 9.156162 57.08542 9.156162 -0.000000      0.000000 
1 1 1 0  8  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  8  37 o 70.82020 7.549375 52.60254       10.47800      52.60254       10.47800      52.60254       10.47800      70.82020 7.549375 70.82020 7.549375 0.000000       0.000000 
1 1 1 0  8  38 o 119.1815 5.144668 144.0991       12.21371      144.0991       12.21371      144.0991       12.21371      119.1815 5.144668 119.1815 5.144668 -0.000000      0.000000 
1 1 1 0  8  39 o 32.95697 13.07321 15.74180       8.274716      15.74180       8.274716      15.74180       8.274716      32.95697 13.07321 32.95697 13.07321 0.000000       0.000000 
1 1 1 0  8  40 o 19.32602 11.54008 4.837308       7.722124      4.837308       7.722124      4.837308       7.722124      19.32602 11.54008 19.32602 11.54008 0.000000       0.000000 
1 1 1 0  8  41 o 20.69882 12.01084 6.378900       7.984251      6.378900       7.984251      6.378900       7.984251      20.69882 12.01084 20.69882 12.01084 -0.000000      0.000000 
1 1 1 0  8  42 o 35.37333 13.40532 18.37724       8.862731      18.37724       8.862731      18.37724       8.862731      35.37333 13.40532 35.37333 13.40532 -0.000000      0.000000 
1 1 1 0  8  43 o 62.48207 7.638011 43.32891       9.309056      43.32891       9.309056      43.32891       9.309056      62.48207 7.638011 62.48207 7.638011 0.000000       0.000000 
1 1 1 0  8  44 o 74.82529 6.076038 59.70832       8.976085      59.70832       8.976085      59.70832       8.976085      74.82529 6.076038 74.82529 6.076038 -0.000000      0.000000 
1 1 1 0  8  45 o 48.16799 8.300081 27.38875       7.346645      27.38875       7.346645      27.38875       7.346645      48.16799 8.300081 48.16799 8.300081 -0.000000      0.000000 
1 1 1 0  8  46 o 13.42402 8.967702 0.8111773      6.351979      0.8111773      6.351979      0.8111773      6.351979      13.42402 8.967702 13.42402 8.967702 0.000000       0.000000 
1 1 1 0  9  1  o 363.6816 3.991556 1323.388       29.02527      1323.388       29.02527      1323.388       29.02527      363.6816 3.991556 363.6816 3.991556 0.000000       0.000000 
1 1 1 0  9  2  o 71.69943 2.660502 51.62488       3.803678      51.62488       3.803678      51.62488       3.803678      71.69943 2.660502 71.69943 2.660502 0.000000       0.000000 
1 1 1 0  9  3  o 206.0906 3.071281 425.0711       12.65295      425.0711       12.65295      425.0711       12.65295      206.0906 3.071281 206.0906 3.071281 0.000000       0.000000 
1 1 1 0  9  4  o 273.8316 3.187082 750.2504       17.44917      750.2504       17.44917      750.2504       17.44917      273.8316 3.187082 273.8316 3.187082 0.000000       0.000000 
1 1 1 0  9  5  o 394.7574 4.282271 1559.302       33.80024      1559.302       33.80024      1559.302       33.80024      394.7574 4.282271 394.7574 4.282271 0.000000       0.000000 
1 1 1 0  9  6  o 92.42246 2.728750 85.65182       5.034258      85.65182       5.034258      85.65182       5.034258      92.42246 2.728750 92.42246 2.728750 -0.000000      0.000000 
1 1 1 0  9  7  o 158.2354 2.396532 250.5794       7.580434      250.5794       7.580434      250.5794       7.580434      158.2354 2.396532 158.2354 2.396532 -0.000000      0.000000 
1 1 1 0  9  8  o 152.6995 2.386015 233.3640       7.282885      233.3640       7.282885      233.3640       7.282885      152.6995 2.386015 152.6995 2.386015 -0.000000      0.000000 
1 1 1 0  9  9  o 686.3268 7.134486 4716.164       97.90804      4716.164       97.90804      4716.164       97.90804      686.3268 7.134486 686.3268 7.134486 0.000000       0.000000 
1 1 1 0  9  10 o 54.81479 3.194933 30.35716       3.477790      30.35716       3.477790      30.35716       3.477790      54.81479 3.194933 54.81479 3.194933 -0.000000      0.000000 
1 1 1 0  9  11 o 261.8039 3.526050 685.9230       18.45517      685.9230       18.45517      685.9230       18.45517      261.8039 3.526050 261.8039 3.526050 -0.000000      0.000000 
1 1 1 0  9  12 o 164.5636 2.677162 271.0536       8.806056      271.0536       8.806056      271.0536       8.806056      164.5636 2.677162 164.5636 2.677162 0.000000       0.000000 
1 1 1 0  9  13 f 205.7007 2.996060 423.4417       12.31998      423.4417       12.31998      423.4417       12.31998      205.7007 2.996060 205.7007 2.996060 0.000000       0.000000 
1 1 1 0  9  14 o 47.96060 5.448873 23.88899       5.110771      23.88899       5.110771      23.88899       5.110771      47.96060 5.448873 47.96060 5.448873 -0.000000      0.000000 
1 1 1 0  9  15 o 233.6170 3.237108 546.1454       15.11836      546.1454       15.11836      546.1454       15.11836      233.6170 3.237108 233.6170 3.237108 0.000000       0.000000 
1 1 1 0  9  16 o 823.5556 8.501159 6790.511       139.9901      6790.511       139.9901      6790.511       139.9901      823.5556 8.501159 823.5556 8.501159 0.000000       0.000000 
1 1 1 0  9  17 o 324.9240 3.649869 1056.302       23.71188      1056.302       23.71188      1056.302       23.71188      324.9240 3.649869 324.9240 3.649869 -0.000000      0.000000 
1 1 1 0  9  18 o 184.8285 4.292380 342.2530       15.84807      342.2530       15.84807      342.2530       15.84807      184.8285 4.292380 184.8285 4.292380 -0.000000      0.000000 
1 1 1 0  9  19 o 328.4631 4.233352 1079.681       27.79965      1079.681       27.79965      1079.681       27.79965      328.4631 4.233352 328.4631 4.233352 0.000000       0.000000 
1 1 1 0  9  20 o 230.5595 3.286266 531.9764       15.14670      531.9764       15.14670      531.9764       15.14670      230.5595 3.286266 230.5595 3.286266 0.000000       0.000000 
1 1 1 0  9  21 o 563.5356 5.294930 3178.115       59.66581      3178.115       59.66581      3178.115       59.66581      563.5356 5.294930 563.5356 5.294930 0.000000       0.000000 
1 1 1 0  9  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  23 o 605.9707 9.182302 3681.824       111.2269      3681.824       111.2269      3681.824       111.2269      605.9707 9.182302 605.9707 9.182302 0.000000       0.000000 
1 1 1 0  9  24 o 940.9135 19.77284 8961.916       371.7247      8961.916       371.7247      8961.916       371.7247      940.9135 19.77284 940.9135 19.77284 -0.000000      0.000000 
1 1 1 0  9  25 o 141.8273 6.847475 202.9714       19.32656      202.9714       19.32656      202.9714       19.32656      141.8273 6.847475 141.8273 6.847475 0.000000       0.000000 
1 1 1 0  9  26 o 406.2517 9.410704 1660.611       76.37110      1660.611       76.37110      1660.611       76.37110      406.2517 9.410704 406.2517 9.410704 -0.000000      0.000000 
1 1 1 0  9  27 o 119.6847 6.929674 145.0909       16.47150      145.0909       16.47150      145.0909       16.47150      119.6847 6.929674 119.6847 6.929674 -0.000000      0.000000 
1 1 1 0  9  28 o 131.1073 4.809821 172.8622       12.57502      172.8622       12.57502      172.8622       12.57502      131.1073 4.809821 131.1073 4.809821 0.000000       0.000000 
1 1 1 0  9  29 o 24.20374 12.76479 8.685618       8.140111      8.685618       8.140111      8.685618       8.140111      24.20374 12.76479 24.20374 12.76479 -0.000000      0.000000 
1 1 1 0  9  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  32 o 22.76522 12.42624 7.580434       7.927575      7.580434       7.927575      7.580434       7.927575      22.76522 12.42624 22.76522 12.42624 -0.000000      0.000000 
1 1 1 0  9  33 o 15.50563 10.28808 -1.190199      8.069265      -1.190199      8.069265      -1.190199      8.069265      15.50563 10.28808 15.50563 10.28808 0.000000       0.000000 
1 1 1 0  9  34 o 20.64281 12.11029 5.433117       8.260548      5.433117       8.260548      5.433117       8.260548      20.64281 12.11029 20.64281 12.11029 0.000000       0.000000 
1 1 1 0  9  35 o 308.9921 5.703049 962.0775       35.21714      962.0775       35.21714      962.0775       35.21714      308.9921 5.703049 308.9921 5.703049 -0.000000      0.000000 
1 1 1 0  9  36 o 357.7172 6.385652 1295.758       45.65263      1295.758       45.65263      1295.758       45.65263      357.7172 6.385652 357.7172 6.385652 -0.000000      0.000000 
1 1 1 0  9  37 o 31.91286 14.12551 15.32381       9.429493      15.32381       9.429493      15.32381       9.429493      31.91286 14.12551 31.91286 14.12551 0.000000       0.000000 
1 1 1 0  9  38 o 50.64619 10.27852 29.31573       9.224042      29.31573       9.224042      29.31573       9.224042      50.64619 10.27852 50.64619 10.27852 0.000000       0.000000 
1 1 1 0  9  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  9  40 f 19.15395 11.64748 4.448369       8.161365      4.448369       8.161365      4.448369       8.161365      19.15395 11.64748 19.15395 11.64748 -0.000000      0.000000 
1 1 1 0  9  41 o 14.55376 9.792778 -1.634398      7.856731      -1.634398      7.856731      -1.634398      7.856731      14.55376 9.792778 14.55376 9.792778 0.000000       0.000000 
1 1 1 0  9  42 o 107.4142 5.706132 120.7910       12.18537      120.7910       12.18537      120.7910       12.18537      107.4142 5.706132 107.4142 5.706132 -0.000000      0.000000 
1 1 1 0  9  43 o 39.33909 12.76181 21.86991       8.848563      21.86991       8.848563      21.86991       8.848563      39.33909 12.76181 39.33909 12.76181 -0.000000      0.000000 
1 1 1 0  9  44 o 12.60080 8.740665 -3.071139      7.119940      -3.071139      7.119940      -3.071139      7.119940      12.60080 8.740665 12.60080 8.740665 0.000000       0.000000 
1 1 1 0  9  45 o 25.36601 12.30360 12.04368       7.240376      12.04368       7.240376      12.04368       7.240376      25.36601 12.30360 25.36601 12.30360 -0.000000      0.000000 
1 1 1 0  10 0  o 669.3668 9.869004 4486.625       132.0554      4486.625       132.0554      4486.625       132.0554      669.3668 9.869004 669.3668 9.869004 -0.000000      0.000000 
1 1 1 0  10 1  o 105.4379 2.497931 111.3686       5.260962      111.3686       5.260962      111.3686       5.260962      105.4379 2.497931 105.4379 2.497931 -0.000000      0.000000 
1 1 1 0  10 2  o 277.1694 3.268897 768.6702       18.11511      768.6702       18.11511      768.6702       18.11511      277.1694 3.268897 277.1694 3.268897 -0.000000      0.000000 
1 1 1 0  10 3  o 18.60007 8.312237 5.008046       3.265254      5.008046       3.265254      5.008046       3.265254      18.60007 8.312237 18.60007 8.312237 0.000000       0.000000 
1 1 1 0  10 4  o 133.7566 2.398687 179.0966       6.412197      179.0966       6.412197      179.0966       6.412197      133.7566 2.398687 133.7566 2.398687 0.000000       0.000000 
1 1 1 0  10 5  f 112.3059 2.442595 126.3170       5.480583      126.3170       5.480583      126.3170       5.480583      112.3059 2.442595 112.3059 2.442595 -0.000000      0.000000 
1 1 1 0  10 6  o 86.69360 2.664680 75.37926       4.610604      75.37926       4.610604      75.37926       4.610604      86.69360 2.664680 86.69360 2.664680 -0.000000      0.000000 
1 1 1 0  10 7  o 320.4882 4.195004 1027.964       26.87866      1027.964       26.87866      1027.964       26.87866      320.4882 4.195004 320.4882 4.195004 0.000000       0.000000 
1 1 1 0  10 8  o 344.0258 4.417799 1184.531       30.38550      1184.531       30.38550      1184.531       30.38550      344.0258 4.417799 344.0258 4.417799 0.000000       0.000000 
1 1 1 0  10 9  o 274.7022 3.717837 755.2096       20.41758      755.2096       20.41758      755.2096       20.41758      274.7022 3.717837 274.7022 3.717837 0.000000       0.000000 
1 1 1 0  10 10 o 61.55589 3.592157 38.28473       4.390984      38.28473       4.390984      38.28473       4.390984      61.55589 3.592157 61.55589 3.592157 0.000000       0.000000 
1 1 1 0  10 11 o 468.8004 5.769459 2199.743       54.07613      2199.743       54.07613      2199.743       54.07613      468.8004 5.769459 468.8004 5.769459 -0.000000      0.000000 
1 1 1 0  10 12 o 829.4197 8.569214 6887.568       142.1154      6887.568       142.1154      6887.568       142.1154      829.4197 8.569214 829.4197 8.569214 0.000000       0.000000 
1 1 1 0  10 13 o 178.6376 3.133200 319.4409       11.18645      319.4409       11.18645      319.4409       11.18645      178.6376 3.133200 178.6376 3.133200 0.000000       0.000000 
1 1 1 0  10 14 o 121.1815 2.671094 147.0746       6.466748      147.0746       6.466748      147.0746       6.466748      121.1815 2.671094 121.1815 2.671094 0.000000       0.000000 
1 1 1 0  10 15 o 642.9940 6.728153 4138.067       86.50197      4138.067       86.50197      4138.067       86.50197      642.9940 6.728153 642.9940 6.728153 0.000000       0.000000 
1 1 1 0  10 16 o 293.8159 5.145431 864.3112       30.21547      864.3112       30.21547      864.3112       30.21547      293.8159 5.145431 293.8159 5.145431 0.000000       0.000000 
1 1 1 0  10 17 o 209.8022 2.786930 440.4445       11.68946      440.4445       11.68946      440.4445       11.68946      209.8022 2.786930 209.8022 2.786930 -0.000000      0.000000 
1 1 1 0  10 18 o 374.6039 4.182619 1404.151       31.32774      1404.151       31.32774      1404.151       31.32774      374.6039 4.182619 374.6039 4.182619 0.000000       0.000000 
1 1 1 0  10 19 o 216.1783 3.287057 467.7199       14.20446      467.7199       14.20446      467.7199       14.20446      216.1783 3.287057 216.1783 3.287057 0.000000       0.000000 
1 1 1 0  10 20 o 331.3480 4.364470 1098.809       28.91191      1098.809       28.91191      1098.809       28.91191      331.3480 4.364470 331.3480 4.364470 0.000000       0.000000 
1 1 1 0  10 21 o 187.3713 2.912949 351.3921       10.91016      351.3921       10.91016      351.3921       10.91016      187.3713 2.912949 187.3713 2.912949 0.000000       0.000000 
1 1 1 0  10 22 o 367.2868 4.639649 1350.309       34.06945      1350.309       34.06945      1350.309       34.06945      367.2868 4.639649 367.2868 4.639649 -0.000000      0.000000 
1 1 1 0  10 23 o 527.4731 6.419488 2786.341       67.69965      2786.341       67.69965      2786.341       67.69965      527.4731 6.419488 527.4731 6.419488 -0.000000      0.000000 
1 1 1 0  10 24 o 158.5448 4.853832 252.2797       15.35923      252.2797       15.35923      252.2797       15.35923      158.5448 4.853832 158.5448 4.853832 0.000000       0.000000 
1 1 1 0  10 25 o 43.37086 12.49155 23.03885       9.386987      23.03885       9.386987      23.03885       9.386987      43.37086 12.49155 43.37086 12.49155 0.000000       0.000000 
1 1 1 0  10 26 o 441.0875 7.090424 1952.493       62.51378      1952.493       62.51378      1952.493       62.51378      441.0875 7.090424 441.0875 7.090424 0.000000       0.000000 
1 1 1 0  10 27 o 99.38654 5.724429 99.96254       11.29981      99.96254       11.29981      99.96254       11.29981      99.38654 5.724429 99.38654 5.724429 -0.000000      0.000000 
1 1 1 0  10 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 29 o 285.3715 5.273252 817.5534       30.07378      817.5534       30.07378      817.5534       30.07378      285.3715 5.273252 285.3715 5.273252 0.000000       0.000000 
1 1 1 0  10 30 o 196.1027 4.637185 386.1771       18.16470      386.1771       18.16470      386.1771       18.16470      196.1027 4.637185 196.1027 4.637185 -0.000000      0.000000 
1 1 1 0  10 31 o 143.2041 4.696035 206.3720       13.41808      206.3720       13.41808      206.3720       13.41808      143.2041 4.696035 143.2041 4.696035 0.000000       0.000000 
1 1 1 0  10 32 o 12.80335 8.982841 -7.282885      8.225125      -7.282885      8.225125      -7.282885      8.225125      12.80335 8.982841 12.80335 8.982841 0.000000       0.000000 
1 1 1 0  10 33 o 9.683622 7.148774 -19.38324      8.338477      -19.38324      8.338477      -19.38324      8.338477      9.683622 7.148774 9.683622 7.148774 0.000000       0.000000 
1 1 1 0  10 34 o 319.8637 5.749483 1030.797       36.75448      1030.797       36.75448      1030.797       36.75448      319.8637 5.749483 319.8637 5.749483 0.000000       0.000000 
1 1 1 0  10 35 o 138.8813 5.708642 195.3201       15.79847      195.3201       15.79847      195.3201       15.79847      138.8813 5.708642 138.8813 5.708642 -0.000000      0.000000 
1 1 1 0  10 36 o 97.01562 6.657635 96.56198       12.79464      96.56198       12.79464      96.56198       12.79464      97.01562 6.657635 97.01562 6.657635 0.000000       0.000000 
1 1 1 0  10 37 o 160.1726 5.057791 259.3642       16.16687      259.3642       16.16687      259.3642       16.16687      160.1726 5.057791 160.1726 5.057791 0.000000       0.000000 
1 1 1 0  10 38 o 51.64211 10.52151 30.59095       9.620775      30.59095       9.620775      30.59095       9.620775      51.64211 10.52151 51.64211 10.52151 -0.000000      0.000000 
1 1 1 0  10 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 40 o 30.40324 13.44586 14.37449       8.543928      14.37449       8.543928      14.37449       8.543928      30.40324 13.44586 30.40324 13.44586 0.000000       0.000000 
1 1 1 0  10 41 o 31.70511 13.38156 15.65678       8.515590      15.65678       8.515590      15.65678       8.515590      31.70511 13.38156 31.70511 13.38156 0.000000       0.000000 
1 1 1 0  10 42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  10 44 o 22.72046 12.39942 9.769550       7.892153      9.769550       7.892153      9.769550       7.892153      22.72046 12.39942 22.72046 12.39942 0.000000       0.000000 
1 1 1 0  10 45 o 54.68956 7.702478 34.31032       8.203872      34.31032       8.203872      34.31032       8.203872      54.68956 7.702478 54.68956 7.702478 0.000000       0.000000 
1 1 1 0  11 1  o 278.9481 3.326833 778.5886       18.55435      778.5886       18.55435      778.5886       18.55435      278.9481 3.326833 278.9481 3.326833 0.000000       0.000000 
1 1 1 0  11 2  o 149.5973 2.554220 224.0125       7.637110      224.0125       7.637110      224.0125       7.637110      149.5973 2.554220 149.5973 2.554220 0.000000       0.000000 
1 1 1 0  11 3  o 76.54971 2.976405 58.87234       4.541884      58.87234       4.541884      58.87234       4.541884      76.54971 2.976405 76.54971 2.976405 -0.000000      0.000000 
1 1 1 0  11 4  o 169.5708 3.569370 287.9857       12.09327      287.9857       12.09327      287.9857       12.09327      169.5708 3.569370 169.5708 3.569370 -0.000000      0.000000 
1 1 1 0  11 5  o 266.7224 3.722875 711.9940       19.85082      711.9940       19.85082      711.9940       19.85082      266.7224 3.722875 266.7224 3.722875 -0.000000      0.000000 
1 1 1 0  11 6  o 385.8135 4.905496 1489.874       37.83841      1489.874       37.83841      1489.874       37.83841      385.8135 4.905496 385.8135 4.905496 -0.000000      0.000000 
1 1 1 0  11 7  o 159.0063 2.949575 253.1298       9.372816      253.1298       9.372816      253.1298       9.372816      159.0063 2.949575 159.0063 2.949575 -0.000000      0.000000 
1 1 1 0  11 8  o 358.6676 4.018754 1287.257       28.81982      1287.257       28.81982      1287.257       28.81982      358.6676 4.018754 358.6676 4.018754 0.000000       0.000000 
1 1 1 0  11 9  o 19.63194 8.773740 5.579766       3.637900      5.579766       3.637900      5.579766       3.637900      19.63194 8.773740 19.63194 8.773740 0.000000       0.000000 
1 1 1 0  11 10 o 627.7810 6.586433 3944.659       82.67632      3944.659       82.67632      3944.659       82.67632      627.7810 6.586433 627.7810 6.586433 0.000000       0.000000 
1 1 1 0  11 11 o 135.6901 2.623179 184.3391       7.112856      184.3391       7.112856      184.3391       7.112856      135.6901 2.623179 135.6901 2.623179 0.000000       0.000000 
1 1 1 0  11 12 o 155.1980 2.615023 241.0862       8.111773      241.0862       8.111773      241.0862       8.111773      155.1980 2.615023 155.1980 2.615023 -0.000000      0.000000 
1 1 1 0  11 13 o 153.7639 3.193693 236.7646       9.812057      236.7646       9.812057      236.7646       9.812057      153.7639 3.193693 153.7639 3.193693 -0.000000      0.000000 
1 1 1 0  11 14 o 297.4994 3.519557 885.5648       20.93475      885.5648       20.93475      885.5648       20.93475      297.4994 3.519557 297.4994 3.519557 -0.000000      0.000000 
1 1 1 0  11 15 o 1265.683 12.99741 16053.52       328.9342      16053.52       328.9342      16053.52       328.9342      1265.683 12.99741 1265.683 12.99741 0.000000       0.000000 
1 1 1 0  11 16 f 213.1105 3.292857 454.5426       14.02734      454.5426       14.02734      454.5426       14.02734      213.1105 3.292857 213.1105 3.292857 -0.000000      0.000000 
1 1 1 0  11 17 o 127.7668 3.234488 163.5815       8.253463      163.5815       8.253463      163.5815       8.253463      127.7668 3.234488 127.7668 3.234488 0.000000       0.000000 
1 1 1 0  11 18 o 242.1403 3.612225 586.8106       17.48459      586.8106       17.48459      586.8106       17.48459      242.1403 3.612225 242.1403 3.612225 0.000000       0.000000 
1 1 1 0  11 19 f 522.1901 6.451250 2729.665       67.35252      2729.665       67.35252      2729.665       67.35252      522.1901 6.451250 522.1901 6.451250 -0.000000      0.000000 
1 1 1 0  11 20 o 208.7561 3.258013 436.1938       13.59519      436.1938       13.59519      436.1938       13.59519      208.7561 3.258013 208.7561 3.258013 -0.000000      0.000000 
1 1 1 0  11 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 22 o 393.2812 4.360560 1547.967       34.28907      1547.967       34.28907      1547.967       34.28907      393.2812 4.360560 393.2812 4.360560 0.000000       0.000000 
1 1 1 0  11 23 o 380.9257 4.226669 1452.326       32.19205      1452.326       32.19205      1452.326       32.19205      380.9257 4.226669 380.9257 4.226669 -0.000000      0.000000 
1 1 1 0  11 24 o 62.48173 2.565067 39.24823       3.193701      39.24823       3.193701      39.24823       3.193701      62.48173 2.565067 62.48173 2.565067 0.000000       0.000000 
1 1 1 0  11 25 o 56.24410 2.873950 31.89450       3.214954      31.89450       3.214954      31.89450       3.214954      56.24410 2.873950 56.24410 2.873950 0.000000       0.000000 
1 1 1 0  11 26 o 102.8682 5.655705 106.9762       11.56193      106.9762       11.56193      106.9762       11.56193      102.8682 5.655705 102.8682 5.655705 0.000000       0.000000 
1 1 1 0  11 27 o 272.7187 5.251776 745.9998       28.62145      745.9998       28.62145      745.9998       28.62145      272.7187 5.251776 272.7187 5.251776 0.000000       0.000000 
1 1 1 0  11 28 o 182.3830 4.714896 333.9642       17.17287      333.9642       17.17287      333.9642       17.17287      182.3830 4.714896 182.3830 4.714896 -0.000000      0.000000 
1 1 1 0  11 29 o 127.5233 4.929832 163.7941       12.53251      163.7941       12.53251      163.7941       12.53251      127.5233 4.929832 127.5233 4.929832 0.000000       0.000000 
1 1 1 0  11 30 o 263.9866 5.166445 699.9504       27.25414      699.9504       27.25414      699.9504       27.25414      263.9866 5.166445 263.9866 5.166445 -0.000000      0.000000 
1 1 1 0  11 31 o 91.23819 5.798007 84.65999       10.49217      84.65999       10.49217      84.65999       10.49217      91.23819 5.798007 91.23819 5.798007 0.000000       0.000000 
1 1 1 0  11 32 o 227.9214 4.989505 522.3415       22.72005      522.3415       22.72005      522.3415       22.72005      227.9214 4.989505 227.9214 4.989505 -0.000000      0.000000 
1 1 1 0  11 33 o 36.38767 13.67769 18.23555       9.266549      18.23555       9.266549      18.23555       9.266549      36.38767 13.67769 36.38767 13.67769 -0.000000      0.000000 
1 1 1 0  11 34 o 273.5890 5.473855 753.7927       29.92500      753.7927       29.92500      753.7927       29.92500      273.5890 5.473855 273.5890 5.473855 0.000000       0.000000 
1 1 1 0  11 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 36 o 16.88213 11.33228 -2.634023      10.40716      -2.634023      10.40716      -2.634023      10.40716      16.88213 11.33228 16.88213 11.33228 0.000000       0.000000 
1 1 1 0  11 37 o 64.55524 8.631573 44.85917       10.83223      44.85917       10.83223      44.85917       10.83223      64.55524 8.631573 64.55524 8.631573 0.000000       0.000000 
1 1 1 0  11 38 o 76.96317 7.070930 61.91869       10.71179      61.91869       10.71179      61.91869       10.71179      76.96317 7.070930 76.96317 7.070930 0.000000       0.000000 
1 1 1 0  11 39 o 118.6553 5.530690 143.7449       13.06385      143.7449       13.06385      143.7449       13.06385      118.6553 5.530690 118.6553 5.530690 -0.000000      0.000000 
1 1 1 0  11 40 o 23.94078 13.11844 9.273635       8.862731      9.273635       8.862731      9.273635       8.862731      23.94078 13.11844 23.94078 13.11844 -0.000000      0.000000 
1 1 1 0  11 41 o 20.01711 12.13059 5.377149       8.784801      5.377149       8.784801      5.377149       8.784801      20.01711 12.13059 20.01711 12.13059 -0.000000      0.000000 
1 1 1 0  11 42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  11 43 o 59.24583 7.666943 39.31907       8.841478      39.31907       8.841478      39.31907       8.841478      59.24583 7.666943 59.24583 7.666943 0.000000       0.000000 
1 1 1 0  11 44 o 17.18749 10.69393 4.400194       7.204955      4.400194       7.204955      4.400194       7.204955      17.18749 10.69393 17.18749 10.69393 0.000000       0.000000 
1 1 1 0  11 45 o 9.933794 7.192291 -8.501422      6.781301      -8.501422      6.781301      -8.501422      6.781301      9.933794 7.192291 9.933794 7.192291 -0.000000      0.000000 
1 1 1 0  12 0  o 255.2926 6.377586 653.1926       32.51794      653.1926       32.51794      653.1926       32.51794      255.2926 6.377586 255.2926 6.377586 0.000000       0.000000 
1 1 1 0  12 1  o 240.1383 3.574444 577.1757       17.15870      577.1757       17.15870      577.1757       17.15870      240.1383 3.574444 240.1383 3.574444 -0.000000      0.000000 
1 1 1 0  12 2  o 780.8287 9.375518 6108.980       146.3661      6108.980       146.3661      6108.980       146.3661      780.8287 9.375518 780.8287 9.375518 0.000000       0.000000 
1 1 1 0  12 3  o 59.16473 4.367774 35.58553       5.112188      35.58553       5.112188      35.58553       5.112188      59.16473 4.367774 59.16473 4.367774 -0.000000      0.000000 
1 1 1 0  12 4  o 482.8777 5.203854 2333.640       50.24340      2333.640       50.24340      2333.640       50.24340      482.8777 5.203854 482.8777 5.203854 0.000000       0.000000 
1 1 1 0  12 5  o 320.5148 3.728898 1027.964       23.89608      1027.964       23.89608      1027.964       23.89608      320.5148 3.728898 320.5148 3.728898 -0.000000      0.000000 
1 1 1 0  12 6  o 202.8591 2.875484 411.8230       11.66112      411.8230       11.66112      411.8230       11.66112      202.8591 2.875484 202.8591 2.875484 0.000000       0.000000 
1 1 1 0  12 7  o 455.2835 4.947270 2074.347       45.03628      2074.347       45.03628      2074.347       45.03628      455.2835 4.947270 455.2835 4.947270 0.000000       0.000000 
1 1 1 0  12 8  o 211.7271 2.915658 448.5917       12.34123      448.5917       12.34123      448.5917       12.34123      211.7271 2.915658 211.7271 2.915658 0.000000       0.000000 
1 1 1 0  12 9  o 101.6801 2.873573 103.6465       5.833392      103.6465       5.833392      103.6465       5.833392      101.6801 2.873573 101.6801 2.873573 -0.000000      0.000000 
1 1 1 0  12 10 o 424.5737 4.667559 1803.718       39.62371      1803.718       39.62371      1803.718       39.62371      424.5737 4.667559 424.5737 4.667559 0.000000       0.000000 
1 1 1 0  12 11 o 750.1238 7.821927 5632.192       117.3196      5632.192       117.3196      5632.192       117.3196      750.1238 7.821927 750.1238 7.821927 -0.000000      0.000000 
1 1 1 0  12 12 o 265.0128 3.781733 702.8550       20.03502      702.8550       20.03502      702.8550       20.03502      265.0128 3.781733 265.0128 3.781733 0.000000       0.000000 
1 1 1 0  12 13 o 448.0225 6.947957 2009.878       62.22332      2009.878       62.22332      2009.878       62.22332      448.0225 6.947957 448.0225 6.947957 -0.000000      0.000000 
1 1 1 0  12 14 o 531.8934 6.538727 2831.682       69.53455      2831.682       69.53455      2831.682       69.53455      531.8934 6.538727 531.8934 6.538727 -0.000000      0.000000 
1 1 1 0  12 15 o 463.1953 5.785784 2147.317       53.58021      2147.317       53.58021      2147.317       53.58021      463.1953 5.785784 463.1953 5.785784 -0.000000      0.000000 
1 1 1 0  12 16 o 19.77672 9.805304 5.790176       4.635400      5.790176       4.635400      5.790176       4.635400      19.77672 9.805304 19.77672 9.805304 0.000000       0.000000 
1 1 1 0  12 17 f 381.5291 4.346353 1456.577       33.15554      1456.577       33.15554      1456.577       33.15554      381.5291 4.346353 381.5291 4.346353 0.000000       0.000000 
1 1 1 0  12 18 o 537.3520 5.793959 2889.775       62.25166      2889.775       62.25166      2889.775       62.25166      537.3520 5.793959 537.3520 5.793959 0.000000       0.000000 
1 1 1 0  12 19 o 54.86136 5.576763 31.03727       6.004838      31.03727       6.004838      31.03727       6.004838      54.86136 5.576763 54.86136 5.576763 0.000000       0.000000 
1 1 1 0  12 20 o 136.6428 3.070197 187.0313       8.380984      187.0313       8.380984      187.0313       8.380984      136.6428 3.070197 136.6428 3.070197 0.000000       0.000000 
1 1 1 0  12 21 o 346.0527 4.502559 1198.700       31.15062      1198.700       31.15062      1198.700       31.15062      346.0527 4.502559 346.0527 4.502559 -0.000000      0.000000 
1 1 1 0  12 22 o 35.57955 6.116359 13.60936       4.001336      13.60936       4.001336      13.60936       4.001336      35.57955 6.116359 35.57955 6.116359 0.000000       0.000000 
1 1 1 0  12 23 o 213.0381 2.925988 454.2593       12.46167      454.2593       12.46167      454.2593       12.46167      213.0381 2.925988 213.0381 2.925988 -0.000000      0.000000 
1 1 1 0  12 24 o 35.50924 4.732686 13.28347       3.267380      13.28347       3.267380      13.28347       3.267380      35.50924 4.732686 35.50924 4.732686 -0.000000      0.000000 
1 1 1 0  12 25 o 371.3376 4.161211 1380.773       30.89558      1380.773       30.89558      1380.773       30.89558      371.3376 4.161211 371.3376 4.161211 -0.000000      0.000000 
1 1 1 0  12 26 o 329.5529 3.764215 1087.474       24.80290      1087.474       24.80290      1087.474       24.80290      329.5529 3.764215 329.5529 3.764215 -0.000000      0.000000 
1 1 1 0  12 27 o 21.20544 12.55200 5.341018       9.004422      5.341018       9.004422      5.341018       9.004422      21.20544 12.55200 21.20544 12.55200 -0.000000      0.000000 
1 1 1 0  12 28 o 391.6846 6.574353 1542.300       51.46902      1542.300       51.46902      1542.300       51.46902      391.6846 6.574353 391.6846 6.574353 0.000000       0.000000 
1 1 1 0  12 29 o 42.24501 12.65053 22.28789       9.294888      22.28789       9.294888      22.28789       9.294888      42.24501 12.65053 42.24501 12.65053 -0.000000      0.000000 
1 1 1 0  12 30 o 201.3131 4.850367 407.2889       19.50368      407.2889       19.50368      407.2889       19.50368      201.3131 4.850367 201.3131 4.850367 0.000000       0.000000 
1 1 1 0  12 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 32 o 166.1619 4.897628 277.9965       16.24480      277.9965       16.24480      277.9965       16.24480      166.1619 4.897628 166.1619 4.897628 0.000000       0.000000 
1 1 1 0  12 33 o 20.68509 12.67752 4.303844       9.833311      4.303844       9.833311      4.303844       9.833311      20.68509 12.67752 20.68509 12.67752 -0.000000      0.000000 
1 1 1 0  12 34 o 22.60164 13.81257 5.431700       11.60444      5.431700       11.60444      5.431700       11.60444      22.60164 13.81257 22.60164 13.81257 0.000000       0.000000 
1 1 1 0  12 35 o 42.96140 15.81855 25.78764       12.53251      25.78764       12.53251      25.78764       12.53251      42.96140 15.81855 42.96140 15.81855 0.000000       0.000000 
1 1 1 0  12 36 o 20.41135 12.65830 3.990709       10.03168      3.990709       10.03168      3.990709       10.03168      20.41135 12.65830 20.41135 12.65830 0.000000       0.000000 
1 1 1 0  12 37 o 139.7921 5.241051 198.1540       14.60828      198.1540       14.60828      198.1540       14.60828      139.7921 5.241051 139.7921 5.241051 0.000000       0.000000 
1 1 1 0  12 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  12 39 o 59.66827 9.518602 39.20572       10.65512      39.20572       10.65512      39.20572       10.65512      59.66827 9.518602 59.66827 9.518602 0.000000       0.000000 
1 1 1 0  12 40 o 13.11260 9.316752 -9.117774      9.542846      -9.117774      9.542846      -9.117774      9.542846      13.11260 9.316752 13.11260 9.316752 -0.000000      0.000000 
1 1 1 0  12 41 o 16.77636 11.24155 -0.4878399     10.15920      -0.4878399     10.15920      -0.4878399     10.15920      16.77636 11.24155 16.77636 11.24155 -0.000000      0.000000 
1 1 1 0  12 42 o 15.82267 10.60175 -0.5369356     9.032760      -0.5369356     9.032760      -0.5369356     9.032760      15.82267 10.60175 15.82267 10.60175 0.000000       0.000000 
1 1 1 0  12 43 o 33.96516 12.47737 17.53418       7.807138      17.53418       7.807138      17.53418       7.807138      33.96516 12.47737 33.96516 12.47737 0.000000       0.000000 
1 1 1 0  12 44 o 21.19589 11.80235 8.728126       7.318307      8.728126       7.318307      8.728126       7.318307      21.19589 11.80235 21.19589 11.80235 -0.000000      0.000000 
1 1 1 0  13 1  o 516.7103 6.407901 2672.989       66.19773      2672.989       66.19773      2672.989       66.19773      516.7103 6.407901 516.7103 6.407901 -0.000000      0.000000 
1 1 1 0  13 2  o 80.09616 4.600145 64.80917       7.318307      64.80917       7.318307      64.80917       7.318307      80.09616 4.600145 80.09616 4.600145 0.000000       0.000000 
1 1 1 0  13 3  o 45.73696 6.110430 22.03285       5.433117      22.03285       5.433117      22.03285       5.433117      45.73696 6.110430 45.73696 6.110430 -0.000000      0.000000 
1 1 1 0  13 4  o 335.1645 4.497747 1124.313       30.13754      1124.313       30.13754      1124.313       30.13754      335.1645 4.497747 335.1645 4.497747 0.000000       0.000000 
1 1 1 0  13 5  o 390.6935 4.387660 1527.422       34.27490      1527.422       34.27490      1527.422       34.27490      390.6935 4.387660 390.6935 4.387660 -0.000000      0.000000 
1 1 1 0  13 6  o 334.3595 3.886057 1118.645       25.97893      1118.645       25.97893      1118.645       25.97893      334.3595 3.886057 334.3595 3.886057 -0.000000      0.000000 
1 1 1 0  13 7  o 194.0223 3.304829 376.8255       12.81589      376.8255       12.81589      376.8255       12.81589      194.0223 3.304829 194.0223 3.304829 0.000000       0.000000 
1 1 1 0  13 8  o 94.01622 3.496427 88.76900       6.554596      88.76900       6.554596      88.76900       6.554596      94.01622 3.496427 94.01622 3.496427 -0.000000      0.000000 
1 1 1 0  13 9  o 58.78966 4.759319 35.24548       5.524507      35.24548       5.524507      35.24548       5.524507      58.78966 4.759319 58.78966 4.759319 0.000000       0.000000 
1 1 1 0  13 10 o 102.5930 3.485717 105.6302       7.134109      105.6302       7.134109      105.6302       7.134109      102.5930 3.485717 102.5930 3.485717 -0.000000      0.000000 
1 1 1 0  13 11 o 222.4501 3.508382 495.2786       15.60011      495.2786       15.60011      495.2786       15.60011      222.4501 3.508382 222.4501 3.508382 -0.000000      0.000000 
1 1 1 0  13 12 o 132.3959 3.247046 175.6252       8.586436      175.6252       8.586436      175.6252       8.586436      132.3959 3.247046 132.3959 3.247046 -0.000000      0.000000 
1 1 1 0  13 13 o 296.9025 3.611433 882.0225       21.43775      882.0225       21.43775      882.0225       21.43775      296.9025 3.611433 296.9025 3.611433 -0.000000      0.000000 
1 1 1 0  13 14 o 380.7933 4.321243 1450.909       32.90050      1450.909       32.90050      1450.909       32.90050      380.7933 4.321243 380.7933 4.321243 -0.000000      0.000000 
1 1 1 0  13 15 o 52.38408 6.218132 28.60020       6.360480      28.60020       6.360480      28.60020       6.360480      52.38408 6.218132 52.38408 6.218132 0.000000       0.000000 
1 1 1 0  13 16 o 301.2706 3.760260 908.2352       22.64920      908.2352       22.64920      908.2352       22.64920      301.2706 3.760260 301.2706 3.760260 0.000000       0.000000 
1 1 1 0  13 17 o 9.055793 6.655091 -14.65787      6.816723      -14.65787      6.816723      -14.65787      6.816723      9.055793 6.655091 9.055793 6.655091 0.000000       0.000000 
1 1 1 0  13 18 o 355.3833 4.208576 1263.878       29.90375      1263.878       29.90375      1263.878       29.90375      355.3833 4.208576 355.3833 4.208576 0.000000       0.000000 
1 1 1 0  13 19 o 172.2600 3.294896 297.1247       11.34231      297.1247       11.34231      297.1247       11.34231      172.2600 3.294896 172.2600 3.294896 -0.000000      0.000000 
1 1 1 0  13 20 o 594.6128 6.340135 3540.134       75.37926      3540.134       75.37926      3540.134       75.37926      594.6128 6.340135 594.6128 6.340135 0.000000       0.000000 
1 1 1 0  13 21 o 138.1658 3.623001 191.3528       9.996255      191.3528       9.996255      191.3528       9.996255      138.1658 3.623001 138.1658 3.623001 0.000000       0.000000 
1 1 1 0  13 22 o 244.3647 3.193195 597.6500       15.60011      597.6500       15.60011      597.6500       15.60011      244.3647 3.193195 244.3647 3.193195 0.000000       0.000000 
1 1 1 0  13 23 o 113.3243 2.891762 128.7257       6.544678      128.7257       6.544678      128.7257       6.544678      113.3243 2.891762 113.3243 2.891762 -0.000000      0.000000 
1 1 1 0  13 24 o 19.42133 8.725758 5.483417       3.598227      5.483417       3.598227      5.483417       3.598227      19.42133 8.725758 19.42133 8.725758 -0.000000      0.000000 
1 1 1 0  13 25 o 66.61584 3.022500 44.67497       4.009129      44.67497       4.009129      44.67497       4.009129      66.61584 3.022500 66.61584 3.022500 -0.000000      0.000000 
1 1 1 0  13 26 o 177.2131 2.647827 314.4109       9.379901      314.4109       9.379901      314.4109       9.379901      177.2131 2.647827 177.2131 2.647827 -0.000000      0.000000 
1 1 1 0  13 27 o 124.5783 2.311469 155.4343       5.754754      155.4343       5.754754      155.4343       5.754754      124.5783 2.311469 124.5783 2.311469 -0.000000      0.000000 
1 1 1 0  13 28 o 147.4683 2.870472 217.9198       8.458915      217.9198       8.458915      217.9198       8.458915      147.4683 2.870472 147.4683 2.870472 0.000000       0.000000 
1 1 1 0  13 29 o 130.6215 5.107106 171.9413       13.29764      171.9413       13.29764      171.9413       13.29764      130.6215 5.107106 130.6215 5.107106 -0.000000      0.000000 
1 1 1 0  13 30 o 128.3797 5.180763 166.2736       13.25513      166.2736       13.25513      166.2736       13.25513      128.3797 5.180763 128.3797 5.180763 0.000000       0.000000 
1 1 1 0  13 31 o 19.60822 12.03631 3.704495       8.891070      3.704495       8.891070      3.704495       8.891070      19.60822 12.03631 19.60822 12.03631 -0.000000      0.000000 
1 1 1 0  13 32 o 12.24311 8.791027 -11.95867      9.146112      -11.95867      9.146112      -11.95867      9.146112      12.24311 8.791027 12.24311 8.791027 -0.000000      0.000000 
1 1 1 0  13 33 o 29.89849 14.61278 13.72271       10.23713      13.72271       10.23713      13.72271       10.23713      29.89849 14.61278 29.89849 14.61278 0.000000       0.000000 
1 1 1 0  13 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 35 o 41.70464 14.41009 23.45684       10.81097      23.45684       10.81097      23.45684       10.81097      41.70464 14.41009 41.70464 14.41009 0.000000       0.000000 
1 1 1 0  13 36 o 154.7080 5.298101 242.3614       16.35107      242.3614       16.35107      242.3614       16.35107      154.7080 5.298101 154.7080 5.298101 -0.000000      0.000000 
1 1 1 0  13 37 o 89.16756 6.570330 82.10956       11.59027      82.10956       11.59027      82.10956       11.59027      89.16756 6.570330 89.16756 6.570330 -0.000000      0.000000 
1 1 1 0  13 38 o 94.38273 6.583789 92.24043       12.30581      92.24043       12.30581      92.24043       12.30581      94.38273 6.583789 94.38273 6.583789 -0.000000      0.000000 
1 1 1 0  13 39 o 22.12504 13.00829 7.148279       9.564099      7.148279       9.564099      7.148279       9.564099      22.12504 13.00829 22.12504 13.00829 -0.000000      0.000000 
1 1 1 0  13 40 o 15.45765 10.60085 -3.635775      9.960832      -3.635775      9.960832      -3.635775      9.960832      15.45765 10.60085 15.45765 10.60085 0.000000       0.000000 
1 1 1 0  13 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  13 43 o 9.811411 7.205208 -14.16195      7.877984      -14.16195      7.877984      -14.16195      7.877984      9.811411 7.205208 9.811411 7.205208 -0.000000      0.000000 
1 1 1 0  13 44 o 107.3237 5.231444 122.3496       11.17229      122.3496       11.17229      122.3496       11.17229      107.3237 5.231444 107.3237 5.231444 0.000000       0.000000 
1 1 1 0  14 0  o 370.5375 5.989837 1374.396       44.36325      1374.396       44.36325      1374.396       44.36325      370.5375 5.989837 370.5375 5.989837 0.000000       0.000000 
1 1 1 0  14 1  o 156.9516 2.866155 246.6121       8.990252      246.6121       8.990252      246.6121       8.990252      156.9516 2.866155 156.9516 2.866155 -0.000000      0.000000 
1 1 1 0  14 2  o 51.85657 4.881848 27.60837       4.979708      27.60837       4.979708      27.60837       4.979708      51.85657 4.881848 51.85657 4.881848 -0.000000      0.000000 
1 1 1 0  14 3  o 351.4947 4.069592 1236.248       28.60020      1236.248       28.60020      1236.248       28.60020      351.4947 4.069592 351.4947 4.069592 -0.000000      0.000000 
1 1 1 0  14 4  o 384.6347 5.032110 1480.664       38.69564      1480.664       38.69564      1480.664       38.69564      384.6347 5.032110 384.6347 5.032110 0.000000       0.000000 
1 1 1 0  14 5  o 472.6068 7.315442 2236.582       69.10947      2236.582       69.10947      2236.582       69.10947      472.6068 7.315442 472.6068 7.315442 -0.000000      0.000000 
1 1 1 0  14 6  o 82.23550 5.004880 68.39394       8.168448      68.39394       8.168448      68.39394       8.168448      82.23550 5.004880 82.23550 5.004880 -0.000000      0.000000 
1 1 1 0  14 7  o 74.57517 5.371031 56.49195       7.927575      56.49195       7.927575      56.49195       7.927575      74.57517 5.371031 74.57517 5.371031 -0.000000      0.000000 
1 1 1 0  14 8  o 204.0849 4.291352 417.1364       17.49876      417.1364       17.49876      417.1364       17.49876      204.0849 4.291352 204.0849 4.291352 0.000000       0.000000 
1 1 1 0  14 9  o 629.0460 6.674612 3960.246       83.95154      3960.246       83.95154      3960.246       83.95154      629.0460 6.674612 629.0460 6.674612 -0.000000      0.000000 
1 1 1 0  14 10 o 185.3178 3.031464 343.7408       11.22896      343.7408       11.22896      343.7408       11.22896      185.3178 3.031464 185.3178 3.031464 0.000000       0.000000 
1 1 1 0  14 11 o 687.1978 7.233763 4726.791       99.39579      4726.791       99.39579      4726.791       99.39579      687.1978 7.233763 687.1978 7.233763 -0.000000      0.000000 
1 1 1 0  14 12 o 529.4208 6.638964 2805.469       70.27133      2805.469       70.27133      2805.469       70.27133      529.4208 6.638964 529.4208 6.638964 -0.000000      0.000000 
1 1 1 0  14 13 o 39.75158 7.564189 17.35707       5.397694      17.35707       5.397694      17.35707       5.397694      39.75158 7.564189 39.75158 7.564189 0.000000       0.000000 
1 1 1 0  14 14 o 74.17588 4.343769 55.59929       6.398028      55.59929       6.398028      55.59929       6.398028      74.17588 4.343769 74.17588 4.343769 -0.000000      0.000000 
1 1 1 0  14 15 o 85.56013 4.463871 73.82067       7.594603      73.82067       7.594603      73.82067       7.594603      85.56013 4.463871 85.56013 4.463871 -0.000000      0.000000 
1 1 1 0  14 16 o 587.9066 6.328114 3459.370       74.38744      3459.370       74.38744      3459.370       74.38744      587.9066 6.328114 587.9066 6.328114 -0.000000      0.000000 
1 1 1 0  14 17 o 64.46341 6.073232 42.67713       7.700871      42.67713       7.700871      42.67713       7.700871      64.46341 6.073232 64.46341 6.073232 0.000000       0.000000 
1 1 1 0  14 18 o 10.80817 7.586905 -5.416114      5.882275      -5.416114      5.882275      -5.416114      5.882275      10.80817 7.586905 10.80817 7.586905 0.000000       0.000000 
1 1 1 0  14 19 o 664.4003 7.028701 4420.739       93.37395      4420.739       93.37395      4420.739       93.37395      664.4003 7.028701 664.4003 7.028701 0.000000       0.000000 
1 1 1 0  14 20 o 466.6631 5.123530 2179.906       47.80632      2179.906       47.80632      2179.906       47.80632      466.6631 5.123530 466.6631 5.123530 0.000000       0.000000 
1 1 1 0  14 21 o 383.2635 4.960388 1470.746       38.00844      1470.746       38.00844      1470.746       38.00844      383.2635 4.960388 383.2635 4.960388 -0.000000      0.000000 
1 1 1 0  14 22 f 142.2855 3.105261 202.8297       8.827310      202.8297       8.827310      202.8297       8.827310      142.2855 3.105261 142.2855 3.105261 0.000000       0.000000 
1 1 1 0  14 23 o 21.97647 9.623612 6.957705       4.376815      6.957705       4.376815      6.957705       4.376815      21.97647 9.623612 21.97647 9.623612 0.000000       0.000000 
1 1 1 0  14 24 o 438.5890 4.859347 1926.989       42.61337      1926.989       42.61337      1926.989       42.61337      438.5890 4.859347 438.5890 4.859347 -0.000000      0.000000 
1 1 1 0  14 25 o 46.52969 4.344491 22.23830       3.977248      22.23830       3.977248      22.23830       3.977248      46.52969 4.344491 46.52969 4.344491 -0.000000      0.000000 
1 1 1 0  14 26 o 133.4658 2.706966 178.4590       7.219123      178.4590       7.219123      178.4590       7.219123      133.4658 2.706966 133.4658 2.706966 0.000000       0.000000 
1 1 1 0  14 27 o 208.1581 2.868612 433.9268       11.93741      433.9268       11.93741      433.9268       11.93741      208.1581 2.868612 208.1581 2.868612 -0.000000      0.000000 
1 1 1 0  14 28 o 112.5297 2.381516 126.8837       5.354478      126.8837       5.354478      126.8837       5.354478      112.5297 2.381516 112.5297 2.381516 -0.000000      0.000000 
1 1 1 0  14 29 o 210.2393 3.025746 442.8532       12.71671      442.8532       12.71671      442.8532       12.71671      210.2393 3.025746 210.2393 3.025746 0.000000       0.000000 
1 1 1 0  14 30 o 213.3993 5.064111 457.8724       21.58652      457.8724       21.58652      457.8724       21.58652      213.3993 5.064111 213.3993 5.064111 -0.000000      0.000000 
1 1 1 0  14 31 o 19.62538 12.20379 3.285799       9.372816      3.285799       9.372816      3.285799       9.372816      19.62538 12.20379 19.62538 12.20379 -0.000000      0.000000 
1 1 1 0  14 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 33 o 168.4041 5.466841 286.2854       18.37016      286.2854       18.37016      286.2854       18.37016      168.4041 5.466841 168.4041 5.466841 -0.000000      0.000000 
1 1 1 0  14 34 o 223.5713 5.624583 505.2678       25.11462      505.2678       25.11462      505.2678       25.11462      223.5713 5.624583 223.5713 5.624583 -0.000000      0.000000 
1 1 1 0  14 35 o 133.7325 5.792436 181.5762       15.43008      181.5762       15.43008      181.5762       15.43008      133.7325 5.792436 133.7325 5.792436 0.000000       0.000000 
1 1 1 0  14 36 f 43.87727 14.26570 25.55386       11.03768      25.55386       11.03768      25.55386       11.03768      43.87727 14.26570 43.87727 14.26570 -0.000000      0.000000 
1 1 1 0  14 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 38 o 58.13216 10.17332 37.93050       10.82514      37.93050       10.82514      37.93050       10.82514      58.13216 10.17332 58.13216 10.17332 -0.000000      0.000000 
1 1 1 0  14 39 o 48.91973 12.11834 29.64162       10.25130      29.64162       10.25130      29.64162       10.25130      48.91973 12.11834 48.91973 12.11834 0.000000       0.000000 
1 1 1 0  14 40 o 58.53176 11.15623 40.15505       11.71779      40.15505       11.71779      40.15505       11.71779      58.53176 11.15623 58.53176 11.15623 0.000000       0.000000 
1 1 1 0  14 41 o 48.45856 12.29319 30.88141       10.28672      30.88141       10.28672      30.88141       10.28672      48.45856 12.29319 48.45856 12.29319 0.000000       0.000000 
1 1 1 0  14 42 o 61.12370 8.124567 42.28040       9.656199      42.28040       9.656199      42.28040       9.656199      61.12370 8.124567 61.12370 8.124567 0.000000       0.000000 
1 1 1 0  14 43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  14 44 o 12.68507 9.155718 -9.280719      10.43549      -9.280719      10.43549      -9.280719      10.43549      12.68507 9.155718 12.68507 9.155718 -0.000000      0.000000 
1 1 1 0  15 1  o 119.3305 3.676680 142.8239       8.756464      142.8239       8.756464      142.8239       8.756464      119.3305 3.676680 119.3305 3.676680 -0.000000      0.000000 
1 1 1 0  15 2  o 279.6767 4.109424 782.8392       22.97509      782.8392       22.97509      782.8392       22.97509      279.6767 4.109424 279.6767 4.109424 0.000000       0.000000 
1 1 1 0  15 3  o 523.1699 6.542850 2739.583       68.43644      2739.583       68.43644      2739.583       68.43644      523.1699 6.542850 523.1699 6.542850 0.000000       0.000000 
1 1 1 0  15 4  o 48.04845 6.503856 23.65520       6.164238      23.65520       6.164238      23.65520       6.164238      48.04845 6.503856 48.04845 6.503856 -0.000000      0.000000 
1 1 1 0  15 5  o 579.6421 6.204376 3362.312       71.90786      3362.312       71.90786      3362.312       71.90786      579.6421 6.204376 579.6421 6.204376 -0.000000      0.000000 
1 1 1 0  15 6  o 522.3507 5.664625 2730.373       59.16280      2730.373       59.16280      2730.373       59.16280      522.3507 5.664625 522.3507 5.664625 0.000000       0.000000 
1 1 1 0  15 7  o 265.2282 3.476444 703.9177       18.43391      703.9177       18.43391      703.9177       18.43391      265.2282 3.476444 265.2282 3.476444 0.000000       0.000000 
1 1 1 0  15 8  o 16.58384 9.858356 3.111520       5.593935      3.111520       5.593935      3.111520       5.593935      16.58384 9.858356 16.58384 9.858356 0.000000       0.000000 
1 1 1 0  15 9  o 357.7455 4.864700 1280.881       34.79207      1280.881       34.79207      1280.881       34.79207      357.7455 4.864700 357.7455 4.864700 -0.000000      0.000000 
1 1 1 0  15 10 o 19.93319 11.14821 5.451536       6.568765      5.451536       6.568765      5.451536       6.568765      19.93319 11.14821 19.93319 11.14821 0.000000       0.000000 
1 1 1 0  15 11 o 154.5806 3.648045 239.3858       11.26438      239.3858       11.26438      239.3858       11.26438      154.5806 3.648045 154.5806 3.648045 0.000000       0.000000 
1 1 1 0  15 12 o 117.9654 5.326257 140.0609       12.51126      140.0609       12.51126      140.0609       12.51126      117.9654 5.326257 117.9654 5.326257 0.000000       0.000000 
1 1 1 0  15 13 o 323.2581 4.006525 1045.675       25.89391      1045.675       25.89391      1045.675       25.89391      323.2581 4.006525 323.2581 4.006525 0.000000       0.000000 
1 1 1 0  15 14 o 43.63370 9.833656 21.71405       7.474166      21.71405       7.474166      21.71405       7.474166      43.63370 9.833656 43.63370 9.833656 0.000000       0.000000 
1 1 1 0  15 15 o 324.4551 4.133801 1053.468       26.81490      1053.468       26.81490      1053.468       26.81490      324.4551 4.133801 324.4551 4.133801 -0.000000      0.000000 
1 1 1 0  15 16 o 84.04008 5.247665 71.48279       8.749379      71.48279       8.749379      71.48279       8.749379      84.04008 5.247665 84.04008 5.247665 0.000000       0.000000 
1 1 1 0  15 17 o 242.7505 3.494991 589.7861       16.96033      589.7861       16.96033      589.7861       16.96033      242.7505 3.494991 242.7505 3.494991 -0.000000      0.000000 
1 1 1 0  15 18 o 53.79055 5.939566 30.00293       6.254212      30.00293       6.254212      30.00293       6.254212      53.79055 5.939566 53.79055 5.939566 -0.000000      0.000000 
1 1 1 0  15 19 o 69.06189 4.475695 48.31641       6.128817      48.31641       6.128817      48.31641       6.128817      69.06189 4.475695 69.06189 4.475695 -0.000000      0.000000 
1 1 1 0  15 20 o 87.06457 3.644984 76.22942       6.322932      76.22942       6.322932      76.22942       6.322932      87.06457 3.644984 87.06457 3.644984 0.000000       0.000000 
1 1 1 0  15 21 o 459.0246 5.827611 2111.186       53.48102      2111.186       53.48102      2111.186       53.48102      459.0246 5.827611 459.0246 5.827611 -0.000000      0.000000 
1 1 1 0  15 22 f 148.2170 2.970934 220.0451       8.798972      220.0451       8.798972      220.0451       8.798972      148.2170 2.970934 148.2170 2.970934 -0.000000      0.000000 
1 1 1 0  15 23 o 35.24837 7.627095 14.06277       4.711204      14.06277       4.711204      14.06277       4.711204      35.24837 7.627095 35.24837 7.627095 -0.000000      0.000000 
1 1 1 0  15 24 o 73.14131 3.563129 53.92027       5.185867      53.92027       5.185867      53.92027       5.185867      73.14131 3.563129 73.14131 3.563129 0.000000       0.000000 
1 1 1 0  15 25 o 153.4960 2.794410 235.9853       8.572267      235.9853       8.572267      235.9853       8.572267      153.4960 2.794410 153.4960 2.794410 0.000000       0.000000 
1 1 1 0  15 26 o 59.18006 3.785342 35.50052       4.442701      35.50052       4.442701      35.50052       4.442701      59.18006 3.785342 59.18006 3.785342 -0.000000      0.000000 
1 1 1 0  15 27 o 201.0191 2.907147 404.7385       11.68237      404.7385       11.68237      404.7385       11.68237      201.0191 2.907147 201.0191 2.907147 -0.000000      0.000000 
1 1 1 0  15 28 o 114.8463 3.306303 132.4096       7.580434      132.4096       7.580434      132.4096       7.580434      114.8463 3.306303 114.8463 3.306303 0.000000       0.000000 
1 1 1 0  15 29 o 112.3484 2.511888 126.5295       5.637859      126.5295       5.637859      126.5295       5.637859      112.3484 2.511888 112.3484 2.511888 -0.000000      0.000000 
1 1 1 0  15 30 o 203.6656 5.041990 417.3489       20.50968      417.3489       20.50968      417.3489       20.50968      203.6656 5.041990 203.6656 5.041990 -0.000000      0.000000 
1 1 1 0  15 31 o 61.93718 2.716972 38.63188       3.351686      38.63188       3.351686      38.63188       3.351686      61.93718 2.716972 61.93718 2.716972 0.000000       0.000000 
1 1 1 0  15 32 o 21.48719 13.07963 4.936492       10.31506      4.936492       10.31506      4.936492       10.31506      21.48719 13.07963 21.48719 13.07963 0.000000       0.000000 
1 1 1 0  15 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 34 o 17.28979 11.70579 -3.917738      11.51943      -3.917738      11.51943      -3.917738      11.51943      17.28979 11.70579 17.28979 11.70579 -0.000000      0.000000 
1 1 1 0  15 35 o 82.62065 7.664751 71.27025       12.46167      71.27025       12.46167      71.27025       12.46167      82.62065 7.664751 82.62065 7.664751 0.000000       0.000000 
1 1 1 0  15 36 o 102.4954 6.768375 108.2514       13.75105      108.2514       13.75105      108.2514       13.75105      102.4954 6.768375 102.4954 6.768375 -0.000000      0.000000 
1 1 1 0  15 37 o 12.70550 9.198606 -16.26605      11.00934      -16.26605      11.00934      -16.26605      11.00934      12.70550 9.198606 12.70550 9.198606 0.000000       0.000000 
1 1 1 0  15 38 o 59.39433 16.12575 46.15564       16.52818      46.15564       16.52818      46.15564       16.52818      59.39433 16.12575 59.39433 16.12575 0.000000       0.000000 
1 1 1 0  15 39 o 21.69747 14.03584 4.113271       13.85732      4.113271       13.85732      4.113271       13.85732      21.69747 14.03584 21.69747 14.03584 -0.000000      0.000000 
1 1 1 0  15 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  15 42 o 28.88247 15.77413 17.98759       12.78047      17.98759       12.78047      17.98759       12.78047      28.88247 15.77413 28.88247 15.77413 0.000000       0.000000 
1 1 1 0  15 43 o 52.16426 9.586646 33.65854       9.046929      33.65854       9.046929      33.65854       9.046929      52.16426 9.586646 52.16426 9.586646 -0.000000      0.000000 
1 1 1 0  16 0  o 684.3029 14.51377 4694.202       198.4373      4694.202       198.4373      4694.202       198.4373      684.3029 14.51377 684.3029 14.51377 -0.000000      0.000000 
1 1 1 0  16 1  o 744.6403 9.041302 5552.137       134.6058      5552.137       134.6058      5552.137       134.6058      744.6403 9.041302 744.6403 9.041302 0.000000       0.000000 
1 1 1 0  16 2  o 859.3313 10.34986 7396.236       177.8214      7396.236       177.8214      7396.236       177.8214      859.3313 10.34986 859.3313 10.34986 -0.000000      0.000000 
1 1 1 0  16 3  o 130.1557 3.888588 169.8867       10.10252      169.8867       10.10252      169.8867       10.10252      130.1557 3.888588 130.1557 3.888588 -0.000000      0.000000 
1 1 1 0  16 4  o 130.5649 3.865393 170.9494       10.07418      170.9494       10.07418      170.9494       10.07418      130.5649 3.865393 130.5649 3.865393 -0.000000      0.000000 
1 1 1 0  16 5  o 32.19291 10.70059 13.30472       6.113231      13.30472       6.113231      13.30472       6.113231      32.19291 10.70059 32.19291 10.70059 0.000000       0.000000 
1 1 1 0  16 6  o 22.18941 11.23320 7.282885       6.138735      7.282885       6.138735      7.282885       6.138735      22.18941 11.23320 22.18941 11.23320 -0.000000      0.000000 
1 1 1 0  16 7  o 638.9724 6.803829 4086.350       86.92703      4086.350       86.92703      4086.350       86.92703      638.9724 6.803829 638.9724 6.803829 -0.000000      0.000000 
1 1 1 0  16 8  o 80.68375 4.415027 65.69473       7.079559      65.69473       7.079559      65.69473       7.079559      80.68375 4.415027 80.68375 4.415027 -0.000000      0.000000 
1 1 1 0  16 9  o 684.4672 7.247112 4689.243       99.18325      4689.243       99.18325      4689.243       99.18325      684.4672 7.247112 684.4672 7.247112 0.000000       0.000000 
1 1 1 0  16 10 o 104.8199 3.717396 110.3059       7.771716      110.3059       7.771716      110.3059       7.771716      104.8199 3.717396 104.8199 3.717396 0.000000       0.000000 
1 1 1 0  16 11 o 25.52404 11.85457 9.557014       6.660863      9.557014       6.660863      9.557014       6.660863      25.52404 11.85457 25.52404 11.85457 0.000000       0.000000 
1 1 1 0  16 12 o 58.97157 6.867471 36.19481       7.913406      36.19481       7.913406      36.19481       7.913406      58.97157 6.867471 58.97157 6.867471 -0.000000      0.000000 
1 1 1 0  16 13 o 435.6050 5.817385 1899.359       50.66139      1899.359       50.66139      1899.359       50.66139      435.6050 5.817385 435.6050 5.817385 0.000000       0.000000 
1 1 1 0  16 14 o 187.1915 6.185671 351.7463       23.10261      351.7463       23.10261      351.7463       23.10261      187.1915 6.185671 187.1915 6.185671 0.000000       0.000000 
1 1 1 0  16 15 o 84.32288 5.914646 72.19124       9.875818      72.19124       9.875818      72.19124       9.875818      84.32288 5.914646 84.32288 5.914646 -0.000000      0.000000 
1 1 1 0  16 16 o 576.1046 7.239511 3324.056       83.38477      3324.056       83.38477      3324.056       83.38477      576.1046 7.239511 576.1046 7.239511 -0.000000      0.000000 
1 1 1 0  16 17 o 436.3409 4.940473 1905.735       43.10221      1905.735       43.10221      1905.735       43.10221      436.3409 4.940473 436.3409 4.940473 0.000000       0.000000 
1 1 1 0  16 18 o 60.38286 5.408676 37.35666       6.432742      37.35666       6.432742      37.35666       6.432742      60.38286 5.408676 60.38286 5.408676 0.000000       0.000000 
1 1 1 0  16 19 o 20.80077 10.67805 6.391652       5.591810      6.391652       5.591810      6.391652       5.591810      20.80077 10.67805 20.80077 10.67805 -0.000000      0.000000 
1 1 1 0  16 20 o 273.6305 3.597629 749.5420       19.68079      749.5420       19.68079      749.5420       19.68079      273.6305 3.597629 273.6305 3.597629 0.000000       0.000000 
1 1 1 0  16 21 o 517.4428 6.468716 2684.324       66.92036      2684.324       66.92036      2684.324       66.92036      517.4428 6.468716 517.4428 6.468716 -0.000000      0.000000 
1 1 1 0  16 22 o 129.6863 3.798377 168.7532       9.833311      168.7532       9.833311      168.7532       9.833311      129.6863 3.798377 129.6863 3.798377 -0.000000      0.000000 
1 1 1 0  16 23 o 174.7881 3.312095 306.0512       11.56902      306.0512       11.56902      306.0512       11.56902      174.7881 3.312095 174.7881 3.312095 0.000000       0.000000 
1 1 1 0  16 24 o 65.67026 4.161870 43.69731       5.421073      43.69731       5.421073      43.69731       5.421073      65.67026 4.161870 65.67026 4.161870 0.000000       0.000000 
1 1 1 0  16 25 o 16.09508 9.070816 3.543676       4.393109      3.543676       4.393109      3.543676       4.393109      16.09508 9.070816 16.09508 9.070816 -0.000000      0.000000 
1 1 1 0  16 26 f 138.6736 3.422393 192.9114       9.479085      192.9114       9.479085      192.9114       9.479085      138.6736 3.422393 138.6736 3.422393 0.000000       0.000000 
1 1 1 0  16 27 o 181.2425 2.902039 329.0758       10.51342      329.0758       10.51342      329.0758       10.51342      181.2425 2.902039 181.2425 2.902039 -0.000000      0.000000 
1 1 1 0  16 28 o 100.6096 2.865073 101.5920       5.754754      101.5920       5.754754      101.5920       5.754754      100.6096 2.865073 100.6096 2.865073 -0.000000      0.000000 
1 1 1 0  16 29 o 111.5653 2.718890 124.8292       6.058680      124.8292       6.058680      124.8292       6.058680      111.5653 2.718890 111.5653 2.718890 0.000000       0.000000 
1 1 1 0  16 30 o 57.16967 3.679490 33.16262       4.171364      33.16262       4.171364      33.16262       4.171364      57.16967 3.679490 57.16967 3.679490 -0.000000      0.000000 
1 1 1 0  16 31 o 27.67594 6.356248 8.813140       3.059095      8.813140       3.059095      8.813140       3.059095      27.67594 6.356248 27.67594 6.356248 0.000000       0.000000 
1 1 1 0  16 32 o 12.93571 7.022373 2.420780       2.520671      2.420780       2.520671      2.420780       2.520671      12.93571 7.022373 12.93571 7.022373 -0.000000      0.000000 
1 1 1 0  16 33 o 16.10269 11.26343 -9.996255      12.73796      -9.996255      12.73796      -9.996255      12.73796      16.10269 11.26343 16.10269 11.26343 -0.000000      0.000000 
1 1 1 0  16 34 o 149.5078 7.989962 229.6092       23.74730      229.6092       23.74730      229.6092       23.74730      149.5078 7.989962 149.5078 7.989962 0.000000       0.000000 
1 1 1 0  16 35 o 44.80167 18.34974 30.41383       16.13853      30.41383       16.13853      30.41383       16.13853      44.80167 18.34974 44.80167 18.34974 0.000000       0.000000 
1 1 1 0  16 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  16 37 o 249.1886 8.108709 643.6284       40.31799      643.6284       40.31799      643.6284       40.31799      249.1886 8.108709 249.1886 8.108709 0.000000       0.000000 
1 1 1 0  16 38 o 15.74615 10.82965 -4.473165      10.55593      -4.473165      10.55593      -4.473165      10.55593      15.74615 10.82965 15.74615 10.82965 -0.000000      0.000000 
1 1 1 0  16 39 o 18.05864 11.92735 0.5227666      10.68345      0.5227666      10.68345      0.5227666      10.68345      18.05864 11.92735 18.05864 11.92735 -0.000000      0.000000 
1 1 1 0  16 40 o 70.14077 8.969195 56.05979       12.64586      56.05979       12.64586      56.05979       12.64586      70.14077 8.969195 70.14077 8.969195 -0.000000      0.000000 
1 1 1 0  16 41 o 38.62326 13.47374 22.30915       9.394071      22.30915       9.394071      22.30915       9.394071      38.62326 13.47374 38.62326 13.47374 0.000000       0.000000 
1 1 1 0  16 42 o 38.36344 13.04854 22.41541       8.954830      22.41541       8.954830      22.41541       8.954830      38.36344 13.04854 38.36344 13.04854 0.000000       0.000000 
1 1 1 0  16 43 o 42.41014 12.08136 26.16313       8.869816      26.16313       8.869816      26.16313       8.869816      42.41014 12.08136 42.41014 12.08136 0.000000       0.000000 
1 1 1 0  17 1  o 111.3710 3.743289 124.4750       8.317224      124.4750       8.317224      124.4750       8.317224      111.3710 3.743289 111.3710 3.743289 -0.000000      0.000000 
1 1 1 0  17 2  o 257.8268 3.609421 665.2363       18.60394      665.2363       18.60394      665.2363       18.60394      257.8268 3.609421 257.8268 3.609421 0.000000       0.000000 
1 1 1 0  17 3  o 140.6784 3.489653 198.2957       9.804973      198.2957       9.804973      198.2957       9.804973      140.6784 3.489653 140.6784 3.489653 -0.000000      0.000000 
1 1 1 0  17 4  o 344.4369 4.840859 1187.365       33.33266      1187.365       33.33266      1187.365       33.33266      344.4369 4.840859 344.4369 4.840859 -0.000000      0.000000 
1 1 1 0  17 5  o 42.57605 10.97452 21.38107       8.062181      21.38107       8.062181      21.38107       8.062181      42.57605 10.97452 42.57605 10.97452 0.000000       0.000000 
1 1 1 0  17 6  o 21.88717 12.11630 6.686368       7.651280      6.686368       7.651280      6.686368       7.651280      21.88717 12.11630 21.88717 12.11630 -0.000000      0.000000 
1 1 1 0  17 7  o 177.5433 4.942477 316.0403       17.52001      316.0403       17.52001      316.0403       17.52001      177.5433 4.942477 177.5433 4.942477 0.000000       0.000000 
1 1 1 0  17 8  f 11.92168 8.471049 -8.891070      7.892153      -8.891070      7.892153      -8.891070      7.892153      11.92168 8.471049 11.92168 8.471049 -0.000000      0.000000 
1 1 1 0  17 9  o 286.9350 3.833472 823.9294       21.99034      823.9294       21.99034      823.9294       21.99034      286.9350 3.833472 286.9350 3.833472 -0.000000      0.000000 
1 1 1 0  17 10 o 525.9899 8.436401 2771.463       88.69817      2771.463       88.69817      2771.463       88.69817      525.9899 8.436401 525.9899 8.436401 -0.000000      0.000000 
1 1 1 0  17 11 o 425.2421 5.787575 1810.094       49.20197      1810.094       49.20197      1810.094       49.20197      425.2421 5.787575 425.2421 5.787575 -0.000000      0.000000 
1 1 1 0  17 12 o 129.7460 4.648832 169.0366       12.02951      169.0366       12.02951      169.0366       12.02951      129.7460 4.648832 129.7460 4.648832 0.000000       0.000000 
1 1 1 0  17 13 o 201.7295 3.890891 407.5015       15.68512      407.5015       15.68512      407.5015       15.68512      201.7295 3.890891 201.7295 3.890891 -0.000000      0.000000 
1 1 1 0  17 14 o 130.1651 3.992340 169.9576       10.37173      169.9576       10.37173      169.9576       10.37173      130.1651 3.992340 130.1651 3.992340 0.000000       0.000000 
1 1 1 0  17 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 16 o 34.77959 12.71974 16.16687       8.133026      16.16687       8.133026      16.16687       8.133026      34.77959 12.71974 34.77959 12.71974 0.000000       0.000000 
1 1 1 0  17 17 o 200.4400 4.626816 402.6131       18.52601      402.6131       18.52601      402.6131       18.52601      200.4400 4.626816 200.4400 4.626816 0.000000       0.000000 
1 1 1 0  17 18 o 61.17369 6.377552 38.67439       7.651280      38.67439       7.651280      38.67439       7.651280      61.17369 6.377552 61.17369 6.377552 0.000000       0.000000 
1 1 1 0  17 19 o 141.0492 3.775546 199.5000       10.63386      199.5000       10.63386      199.5000       10.63386      141.0492 3.775546 141.0492 3.775546 -0.000000      0.000000 
1 1 1 0  17 20 o 63.49927 5.095844 41.14688       6.390234      41.14688       6.390234      41.14688       6.390234      63.49927 5.095844 63.49927 5.095844 0.000000       0.000000 
1 1 1 0  17 21 o 321.2867 3.972648 1033.631       25.51843      1033.631       25.51843      1033.631       25.51843      321.2867 3.972648 321.2867 3.972648 0.000000       0.000000 
1 1 1 0  17 22 o 79.35837 4.001827 63.51978       6.317265      63.51978       6.317265      63.51978       6.317265      79.35837 4.001827 79.35837 4.001827 0.000000       0.000000 
1 1 1 0  17 23 o 149.9946 3.108465 225.4293       9.316141      225.4293       9.316141      225.4293       9.316141      149.9946 3.108465 149.9946 3.108465 -0.000000      0.000000 
1 1 1 0  17 24 o 18.19128 10.17781 4.596435       5.477749      4.596435       5.477749      4.596435       5.477749      18.19128 10.17781 18.19128 10.17781 0.000000       0.000000 
1 1 1 0  17 25 o 65.59888 4.242321 43.65480       5.518131      43.65480       5.518131      43.65480       5.518131      65.59888 4.242321 65.59888 4.242321 -0.000000      0.000000 
1 1 1 0  17 26 o 18.60900 9.589679 5.152570       4.519922      5.152570       4.519922      5.152570       4.519922      18.60900 9.589679 18.60900 9.589679 -0.000000      0.000000 
1 1 1 0  17 27 o 95.28662 3.247301 91.24860       6.172740      91.24860       6.172740      91.24860       6.172740      95.28662 3.247301 95.28662 3.247301 -0.000000      0.000000 
1 1 1 0  17 28 o 113.5796 2.969802 129.4341       6.735959      129.4341       6.735959      129.4341       6.735959      113.5796 2.969802 113.5796 2.969802 -0.000000      0.000000 
1 1 1 0  17 29 o 12.71119 8.006535 0.9755381      4.190492      0.9755381      4.190492      0.9755381      4.190492      12.71119 8.006535 12.71119 8.006535 -0.000000      0.000000 
1 1 1 0  17 30 o 106.9603 3.130221 114.9109       6.683534      114.9109       6.683534      114.9109       6.683534      106.9603 3.130221 106.9603 3.130221 -0.000000      0.000000 
1 1 1 0  17 31 o 10.86435 7.355077 -1.795217      4.546844      -1.795217      4.546844      -1.795217      4.546844      10.86435 7.355077 10.86435 7.355077 -0.000000      0.000000 
1 1 1 0  17 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 33 o 220.4313 3.176845 487.5565       13.99901      487.5565       13.99901      487.5565       13.99901      220.4313 3.176845 220.4313 3.176845 0.000000       0.000000 
1 1 1 0  17 34 o 139.5245 5.882156 197.9414       16.35107      197.9414       16.35107      197.9414       16.35107      139.5245 5.882156 139.5245 5.882156 -0.000000      0.000000 
1 1 1 0  17 35 o 114.4900 6.633467 134.6767       15.08294      134.6767       15.08294      134.6767       15.08294      114.4900 6.633467 114.4900 6.633467 -0.000000      0.000000 
1 1 1 0  17 36 o 89.15826 7.520666 83.31393       13.22680      83.31393       13.22680      83.31393       13.22680      89.15826 7.520666 89.15826 7.520666 0.000000       0.000000 
1 1 1 0  17 37 f 12.10661 8.801062 -17.57669      10.69762      -17.57669      10.69762      -17.57669      10.69762      12.10661 8.801062 12.10661 8.801062 0.000000       0.000000 
1 1 1 0  17 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  17 41 o 18.40171 11.56374 4.825974       8.678535      4.825974       8.678535      4.825974       8.678535      18.40171 11.56374 18.40171 11.56374 -0.000000      0.000000 
1 1 1 0  17 42 o 16.69909 11.44001 0.1628731      11.53359      0.1628731      11.53359      0.1628731      11.53359      16.69909 11.44001 16.69909 11.44001 -0.000000      0.000000 
1 1 1 0  18 0  o 153.6395 5.005521 236.8354       15.34507      236.8354       15.34507      236.8354       15.34507      153.6395 5.005521 153.6395 5.005521 0.000000       0.000000 
1 1 1 0  18 1  o 97.82304 4.341981 96.27859       8.458915      96.27859       8.458915      96.27859       8.458915      97.82304 4.341981 97.82304 4.341981 0.000000       0.000000 
1 1 1 0  18 2  o 264.5594 3.718508 700.4462       19.66662      700.4462       19.66662      700.4462       19.66662      264.5594 3.718508 264.5594 3.718508 0.000000       0.000000 
1 1 1 0  18 3  o 518.8607 5.723265 2694.242       59.37534      2694.242       59.37534      2694.242       59.37534      518.8607 5.723265 518.8607 5.723265 0.000000       0.000000 
1 1 1 0  18 4  o 532.3177 5.853473 2835.933       62.30125      2835.933       62.30125      2835.933       62.30125      532.3177 5.853473 532.3177 5.853473 0.000000       0.000000 
1 1 1 0  18 5  o 149.3322 4.210698 223.5874       12.55377      223.5874       12.55377      223.5874       12.55377      149.3322 4.210698 149.3322 4.210698 -0.000000      0.000000 
1 1 1 0  18 6  o 337.7918 6.066624 1142.733       40.95560      1142.733       40.95560      1142.733       40.95560      337.7918 6.066624 337.7918 6.066624 -0.000000      0.000000 
1 1 1 0  18 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 8  o 301.8250 5.976570 912.4859       36.04602      912.4859       36.04602      912.4859       36.04602      301.8250 5.976570 301.8250 5.976570 0.000000       0.000000 
1 1 1 0  18 9  o 592.0076 7.505974 3508.962       88.83985      3508.962       88.83985      3508.962       88.83985      592.0076 7.505974 592.0076 7.505974 0.000000       0.000000 
1 1 1 0  18 10 o 276.0494 4.907845 763.0026       27.07702      763.0026       27.07702      763.0026       27.07702      276.0494 4.907845 276.0494 4.907845 -0.000000      0.000000 
1 1 1 0  18 11 o 47.99902 16.05177 29.69830       13.70146      29.69830       13.70146      29.69830       13.70146      47.99902 16.05177 47.99902 16.05177 -0.000000      0.000000 
1 1 1 0  18 12 o 211.6997 4.520684 448.9459       19.12111      448.9459       19.12111      448.9459       19.12111      211.6997 4.520684 211.6997 4.520684 -0.000000      0.000000 
1 1 1 0  18 13 o 434.2514 5.797979 1888.024       50.33550      1888.024       50.33550      1888.024       50.33550      434.2514 5.797979 434.2514 5.797979 0.000000       0.000000 
1 1 1 0  18 14 o 66.91626 6.004263 45.88642       7.913406      45.88642       7.913406      45.88642       7.913406      66.91626 6.004263 66.91626 6.004263 -0.000000      0.000000 
1 1 1 0  18 15 o 105.8114 4.077287 112.5022       8.600604      112.5022       8.600604      112.5022       8.600604      105.8114 4.077287 105.8114 4.077287 0.000000       0.000000 
1 1 1 0  18 16 o 90.62427 4.399897 82.74717       7.934660      82.74717       7.934660      82.74717       7.934660      90.62427 4.399897 90.62427 4.399897 -0.000000      0.000000 
1 1 1 0  18 17 o 143.0093 3.454859 204.9551       9.868733      204.9551       9.868733      204.9551       9.868733      143.0093 3.454859 143.0093 3.454859 0.000000       0.000000 
1 1 1 0  18 18 o 270.4955 3.683970 732.5391       19.92166      732.5391       19.92166      732.5391       19.92166      270.4955 3.683970 270.4955 3.683970 -0.000000      0.000000 
1 1 1 0  18 19 o 124.2339 3.476025 154.7967       8.621859      154.7967       8.621859      154.7967       8.621859      124.2339 3.476025 124.2339 3.476025 0.000000       0.000000 
1 1 1 0  18 20 o 260.3158 4.192194 678.8385       21.81323      678.8385       21.81323      678.8385       21.81323      260.3158 4.192194 260.3158 4.192194 -0.000000      0.000000 
1 1 1 0  18 21 o 22.51056 11.73433 7.495420       6.816723      7.495420       6.816723      7.495420       6.816723      22.51056 11.73433 22.51056 11.73433 -0.000000      0.000000 
1 1 1 0  18 22 f 12.79008 8.817661 -4.313763      7.069641      -4.313763      7.069641      -4.313763      7.069641      12.79008 8.817661 12.79008 8.817661 -0.000000      0.000000 
1 1 1 0  18 23 o 94.12988 3.702977 89.12323       6.947787      89.12323       6.947787      89.12323       6.947787      94.12988 3.702977 94.12988 3.702977 -0.000000      0.000000 
1 1 1 0  18 24 o 84.22380 4.275414 71.62447       7.162447      71.62447       7.162447      71.62447       7.162447      84.22380 4.275414 84.22380 4.275414 0.000000       0.000000 
1 1 1 0  18 25 o 14.84803 9.174221 1.880940       5.231916      1.880940       5.231916      1.880940       5.231916      14.84803 9.174221 14.84803 9.174221 -0.000000      0.000000 
1 1 1 0  18 26 o 228.4173 3.368392 522.9082       15.38049      522.9082       15.38049      522.9082       15.38049      228.4173 3.368392 228.4173 3.368392 -0.000000      0.000000 
1 1 1 0  18 27 o 119.6420 3.437736 143.7449       8.210957      143.7449       8.210957      143.7449       8.210957      119.6420 3.437736 119.6420 3.437736 0.000000       0.000000 
1 1 1 0  18 28 o 19.03133 10.05124 5.383525       5.052678      5.383525       5.052678      5.383525       5.052678      19.03133 10.05124 19.03133 10.05124 -0.000000      0.000000 
1 1 1 0  18 29 o 18.22715 9.917236 4.836601       5.036384      4.836601       5.036384      4.836601       5.036384      18.22715 9.917236 18.22715 9.917236 -0.000000      0.000000 
1 1 1 0  18 30 o 128.7617 3.328157 166.4862       8.558097      166.4862       8.558097      166.4862       8.558097      128.7617 3.328157 128.7617 3.328157 0.000000       0.000000 
1 1 1 0  18 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 32 o 187.1357 3.091069 351.3921       11.56193      351.3921       11.56193      351.3921       11.56193      187.1357 3.091069 187.1357 3.091069 0.000000       0.000000 
1 1 1 0  18 33 o 124.3365 2.296276 155.0092       5.705871      155.0092       5.705871      155.0092       5.705871      124.3365 2.296276 124.3365 2.296276 0.000000       0.000000 
1 1 1 0  18 34 o 121.9795 2.380089 149.2708       5.801512      149.2708       5.801512      149.2708       5.801512      121.9795 2.380089 121.9795 2.380089 0.000000       0.000000 
1 1 1 0  18 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  18 36 o 157.7013 5.615291 253.9091       17.66170      253.9091       17.66170      253.9091       17.66170      157.7013 5.615291 157.7013 5.615291 -0.000000      0.000000 
1 1 1 0  18 37 o 42.34357 15.21727 26.14896       11.76030      26.14896       11.76030      26.14896       11.76030      42.34357 15.21727 42.34357 15.21727 0.000000       0.000000 
1 1 1 0  18 38 o 19.18868 13.32761 -6.672907      16.76197      -6.672907      16.76197      -6.672907      16.76197      19.18868 13.32761 19.18868 13.32761 0.000000       0.000000 
1 1 1 0  18 39 o 72.59676 13.94492 68.15306       18.13637      68.15306       18.13637      68.15306       18.13637      72.59676 13.94492 72.59676 13.94492 0.000000       0.000000 
1 1 1 0  18 40 o 54.38309 15.40326 42.52128       14.49492      42.52128       14.49492      42.52128       14.49492      54.38309 15.40326 54.38309 15.40326 0.000000       0.000000 
1 1 1 0  18 41 o 25.87205 15.13039 15.09711       12.83006      15.09711       12.83006      15.09711       12.83006      25.87205 15.13039 25.87205 15.13039 -0.000000      0.000000 
1 1 1 0  18 42 o 23.08041 12.78954 11.40607       8.536844      11.40607       8.536844      11.40607       8.536844      23.08041 12.78954 23.08041 12.78954 -0.000000      0.000000 
1 1 1 0  19 1  o 77.96667 9.516466 63.54104       14.47367      63.54104       14.47367      63.54104       14.47367      77.96667 9.516466 77.96667 9.516466 -0.000000      0.000000 
1 1 1 0  19 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  19 3  o 134.9993 4.558628 182.9222       12.27747      182.9222       12.27747      182.9222       12.27747      134.9993 4.558628 134.9993 4.558628 -0.000000      0.000000 
1 1 1 0  19 4  o 293.5090 4.138978 862.1858       24.28573      862.1858       24.28573      862.1858       24.28573      293.5090 4.138978 293.5090 4.138978 -0.000000      0.000000 
1 1 1 0  19 5  o 510.3909 5.750277 2607.103       58.68106      2607.103       58.68106      2607.103       58.68106      510.3909 5.750277 510.3909 5.750277 -0.000000      0.000000 
1 1 1 0  19 6  o 524.2086 5.885286 2750.210       61.68490      2750.210       61.68490      2750.210       61.68490      524.2086 5.885286 524.2086 5.885286 0.000000       0.000000 
1 1 1 0  19 7  o 252.0985 4.748813 636.4023       23.92442      636.4023       23.92442      636.4023       23.92442      252.0985 4.748813 252.0985 4.748813 -0.000000      0.000000 
1 1 1 0  19 8  o 250.7791 4.231723 629.6011       21.21105      629.6011       21.21105      629.6011       21.21105      250.7791 4.231723 250.7791 4.231723 0.000000       0.000000 
1 1 1 0  19 9  o 201.8699 4.125685 408.1390       16.64153      408.1390       16.64153      408.1390       16.64153      201.8699 4.125685 201.8699 4.125685 0.000000       0.000000 
1 1 1 0  19 10 o 131.0666 4.440801 172.4372       11.61152      172.4372       11.61152      172.4372       11.61152      131.0666 4.440801 131.0666 4.440801 -0.000000      0.000000 
1 1 1 0  19 11 o 107.3080 4.600057 115.8319       9.833311      115.8319       9.833311      115.8319       9.833311      107.3080 4.600057 107.3080 4.600057 0.000000       0.000000 
1 1 1 0  19 12 o 370.5003 5.297164 1374.396       39.23406      1374.396       39.23406      1374.396       39.23406      370.5003 5.297164 370.5003 5.297164 0.000000       0.000000 
1 1 1 0  19 13 o 272.9924 5.549615 746.7082       30.27214      746.7082       30.27214      746.7082       30.27214      272.9924 5.549615 272.9924 5.549615 -0.000000      0.000000 
1 1 1 0  19 14 o 208.8657 4.226775 436.9731       17.64045      436.9731       17.64045      436.9731       17.64045      208.8657 4.226775 208.8657 4.226775 0.000000       0.000000 
1 1 1 0  19 15 o 399.0602 5.468451 1594.725       43.62646      1594.725       43.62646      1594.725       43.62646      399.0602 5.468451 399.0602 5.468451 0.000000       0.000000 
1 1 1 0  19 16 o 58.85655 7.762531 35.38717       9.089437      35.38717       9.089437      35.38717       9.089437      58.85655 7.762531 58.85655 7.762531 -0.000000      0.000000 
1 1 1 0  19 17 o 186.9308 3.413464 349.9752       12.75213      349.9752       12.75213      349.9752       12.75213      186.9308 3.413464 186.9308 3.413464 -0.000000      0.000000 
1 1 1 0  19 18 o 129.2773 3.576332 167.6197       9.231127      167.6197       9.231127      167.6197       9.231127      129.2773 3.576332 129.2773 3.576332 0.000000       0.000000 
1 1 1 0  19 19 o 507.9554 5.635498 2585.849       57.23582      2585.849       57.23582      2585.849       57.23582      507.9554 5.635498 507.9554 5.635498 0.000000       0.000000 
1 1 1 0  19 20 o 217.2794 3.449985 472.8207       14.98375      472.8207       14.98375      472.8207       14.98375      217.2794 3.449985 217.2794 3.449985 0.000000       0.000000 
1 1 1 0  19 21 o 154.4559 3.370252 239.1025       10.40007      239.1025       10.40007      239.1025       10.40007      154.4559 3.370252 154.4559 3.370252 0.000000       0.000000 
1 1 1 0  19 22 o 70.97354 5.237501 51.31316       7.353730      51.31316       7.353730      51.31316       7.353730      70.97354 5.237501 70.97354 5.237501 -0.000000      0.000000 
1 1 1 0  19 23 o 136.7737 4.506752 188.0939       12.29872      188.0939       12.29872      188.0939       12.29872      136.7737 4.506752 136.7737 4.506752 0.000000       0.000000 
1 1 1 0  19 24 o 38.15853 11.50857 18.19304       7.644195      18.19304       7.644195      18.19304       7.644195      38.15853 11.50857 38.15853 11.50857 0.000000       0.000000 
1 1 1 0  19 25 f 85.80956 5.609504 74.88335       9.542846      74.88335       9.542846      74.88335       9.542846      85.80956 5.609504 85.80956 5.609504 0.000000       0.000000 
1 1 1 0  19 26 o 22.74621 11.14509 7.778800       5.960914      7.778800       5.960914      7.778800       5.960914      22.74621 11.14509 22.74621 11.14509 -0.000000      0.000000 
1 1 1 0  19 27 o 12.05538 8.113610 -1.790258      5.399111      -1.790258      5.399111      -1.790258      5.399111      12.05538 8.113610 12.05538 8.113610 -0.000000      0.000000 
1 1 1 0  19 28 o 158.5107 3.191820 251.9963       10.10961      251.9963       10.10961      251.9963       10.10961      158.5107 3.191820 158.5107 3.191820 0.000000       0.000000 
1 1 1 0  19 29 o 164.3777 3.207135 271.0536       10.53468      271.0536       10.53468      271.0536       10.53468      164.3777 3.207135 164.3777 3.207135 0.000000       0.000000 
1 1 1 0  19 30 o 38.83618 10.03754 18.05844       6.725333      18.05844       6.725333      18.05844       6.725333      38.83618 10.03754 38.83618 10.03754 0.000000       0.000000 
1 1 1 0  19 31 o 69.46191 4.830599 49.25156       6.645278      49.25156       6.645278      49.25156       6.645278      69.46191 4.830599 69.46191 4.830599 -0.000000      0.000000 
1 1 1 0  19 32 o 63.11128 4.752464 40.76431       5.931159      40.76431       5.931159      40.76431       5.931159      63.11128 4.752464 63.11128 4.752464 0.000000       0.000000 
1 1 1 0  19 33 o 37.99325 6.851853 15.86224       4.730333      15.86224       4.730333      15.86224       4.730333      37.99325 6.851853 37.99325 6.851853 -0.000000      0.000000 
1 1 1 0  19 34 o 72.79324 14.84972 63.20807       19.13528      63.20807       19.13528      63.20807       19.13528      72.79324 14.84972 72.79324 14.84972 -0.000000      0.000000 
1 1 1 0  19 35 o 41.32677 3.979115 17.67587       3.232665      17.67587       3.232665      17.67587       3.232665      41.32677 3.979115 41.32677 3.979115 -0.000000      0.000000 
1 1 1 0  19 36 o 17.25883 12.08175 -9.790804      14.71454      -9.790804      14.71454      -9.790804      14.71454      17.25883 12.08175 17.25883 12.08175 -0.000000      0.000000 
1 1 1 0  19 37 o 16.33177 11.34027 -5.790885      12.06493      -5.790885      12.06493      -5.790885      12.06493      16.33177 11.34027 16.33177 11.34027 -0.000000      0.000000 
1 1 1 0  19 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  19 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  19 40 o 13.25802 9.296544 -4.991751      8.784801      -4.991751      8.784801      -4.991751      8.784801      13.25802 9.296544 13.25802 9.296544 0.000000       0.000000 
1 1 1 0  19 41 o 25.51030 13.29135 13.29764       8.742295      13.29764       8.742295      13.29764       8.742295      25.51030 13.29135 25.51030 13.29135 0.000000       0.000000 
1 1 1 0  20 0  o 661.6506 10.16664 4383.900       134.4642      4383.900       134.4642      4383.900       134.4642      661.6506 10.16664 661.6506 10.16664 0.000000       0.000000 
1 1 1 0  20 1  o 339.0554 4.559018 1150.526       30.90266      1150.526       30.90266      1150.526       30.90266      339.0554 4.559018 339.0554 4.559018 -0.000000      0.000000 
1 1 1 0  20 2  o 131.5327 5.329685 173.9249       13.97067      173.9249       13.97067      173.9249       13.97067      131.5327 5.329685 131.5327 5.329685 -0.000000      0.000000 
1 1 1 0  20 3  o 600.0319 6.631392 3603.894       79.55913      3603.894       79.55913      3603.894       79.55913      600.0319 6.631392 600.0319 6.631392 -0.000000      0.000000 
1 1 1 0  20 4  o 237.3808 4.326188 564.2110       20.52385      564.2110       20.52385      564.2110       20.52385      237.3808 4.326188 237.3808 4.326188 -0.000000      0.000000 
1 1 1 0  20 5  o 61.57764 11.09735 41.20356       12.41916      41.20356       12.41916      41.20356       12.41916      61.57764 11.09735 61.57764 11.09735 -0.000000      0.000000 
1 1 1 0  20 6  o 403.3140 4.935880 1628.022       39.80082      1628.022       39.80082      1628.022       39.80082      403.3140 4.935880 403.3140 4.935880 -0.000000      0.000000 
1 1 1 0  20 7  o 15.48985 10.44135 -3.312721      9.004422      -3.312721      9.004422      -3.312721      9.004422      15.48985 10.44135 15.48985 10.44135 -0.000000      0.000000 
1 1 1 0  20 8  o 105.7112 4.847130 112.5022       10.20170      112.5022       10.20170      112.5022       10.20170      105.7112 4.847130 105.7112 4.847130 0.000000       0.000000 
1 1 1 0  20 9  o 268.4166 4.028396 721.2039       21.61486      721.2039       21.61486      721.2039       21.61486      268.4166 4.028396 268.4166 4.028396 -0.000000      0.000000 
1 1 1 0  20 10 o 125.8097 5.208408 159.1891       13.05677      159.1891       13.05677      159.1891       13.05677      125.8097 5.208408 125.8097 5.208408 -0.000000      0.000000 
1 1 1 0  20 11 o 176.5335 3.673550 312.1438       12.95758      312.1438       12.95758      312.1438       12.95758      176.5335 3.673550 176.5335 3.673550 -0.000000      0.000000 
1 1 1 0  20 12 o 203.5361 3.639951 414.7986       14.80664      414.7986       14.80664      414.7986       14.80664      203.5361 3.639951 203.5361 3.639951 -0.000000      0.000000 
1 1 1 0  20 13 o 180.0494 4.092921 324.8251       14.72163      324.8251       14.72163      324.8251       14.72163      180.0494 4.092921 180.0494 4.092921 0.000000       0.000000 
1 1 1 0  20 14 o 22.53007 11.79609 7.459997       6.912364      7.459997       6.912364      7.459997       6.912364      22.53007 11.79609 22.53007 11.79609 0.000000       0.000000 
1 1 1 0  20 15 o 221.2794 3.602352 490.3195       15.93308      490.3195       15.93308      490.3195       15.93308      221.2794 3.602352 221.2794 3.602352 -0.000000      0.000000 
1 1 1 0  20 16 f 68.81727 6.986303 48.91859       9.436578      48.91859       9.436578      48.91859       9.436578      68.81727 6.986303 68.81727 6.986303 0.000000       0.000000 
1 1 1 0  20 17 o 16.80253 10.79091 0.8055096      7.970083      0.8055096      7.970083      0.8055096      7.970083      16.80253 10.79091 16.80253 10.79091 0.000000       0.000000 
1 1 1 0  20 18 o 17.11965 10.90344 1.239791       7.977167      1.239791       7.977167      1.239791       7.977167      17.11965 10.90344 17.11965 10.90344 0.000000       0.000000 
1 1 1 0  20 19 o 70.32077 6.627637 50.89518       9.167366      50.89518       9.167366      50.89518       9.167366      70.32077 6.627637 70.32077 6.627637 0.000000       0.000000 
1 1 1 0  20 20 o 368.8290 5.098100 1363.770       37.59045      1363.770       37.59045      1363.770       37.59045      368.8290 5.098100 368.8290 5.098100 -0.000000      0.000000 
1 1 1 0  20 21 o 75.42576 7.208519 58.70232       10.69054      58.70232       10.69054      58.70232       10.69054      75.42576 7.208519 75.42576 7.208519 0.000000       0.000000 
1 1 1 0  20 22 o 54.98125 6.539208 31.63237       7.020049      31.63237       7.020049      31.63237       7.020049      54.98125 6.539208 54.98125 6.539208 -0.000000      0.000000 
1 1 1 0  20 23 o 13.96042 9.061463 0.7948829E-01  5.846852      0.7948829E-01  5.846852      0.7948829E-01  5.846852      13.96042 9.061463 13.96042 9.061463 -0.000000      0.000000 
1 1 1 0  20 24 o 174.5881 3.378952 305.6261       11.78864      305.6261       11.78864      305.6261       11.78864      174.5881 3.378952 174.5881 3.378952 -0.000000      0.000000 
1 1 1 0  20 25 o 11.75428 8.123039 -3.798010      6.057971      -3.798010      6.057971      -3.798010      6.057971      11.75428 8.123039 11.75428 8.123039 -0.000000      0.000000 
1 1 1 0  20 26 o 58.03788 6.759326 35.28090       7.665448      35.28090       7.665448      35.28090       7.665448      58.03788 6.759326 58.03788 6.759326 -0.000000      0.000000 
1 1 1 0  20 27 o 122.1498 4.233428 150.1918       10.31506      150.1918       10.31506      150.1918       10.31506      122.1498 4.233428 122.1498 4.233428 -0.000000      0.000000 
1 1 1 0  20 28 o 21.95348 11.03926 7.297054       5.907779      7.297054       5.907779      7.297054       5.907779      21.95348 11.03926 21.95348 11.03926 0.000000       0.000000 
1 1 1 0  20 29 o 60.96179 6.059104 38.54686       7.254546      38.54686       7.254546      38.54686       7.254546      60.96179 6.059104 60.96179 6.059104 -0.000000      0.000000 
1 1 1 0  20 30 o 17.36997 10.84297 2.509336       7.474166      2.509336       7.474166      2.509336       7.474166      17.36997 10.84297 17.36997 10.84297 0.000000       0.000000 
1 1 1 0  20 31 o 183.1456 3.643231 337.0814       13.33306      337.0814       13.33306      337.0814       13.33306      183.1456 3.643231 183.1456 3.643231 -0.000000      0.000000 
1 1 1 0  20 32 o 130.7748 3.589551 172.1538       9.372816      172.1538       9.372816      172.1538       9.372816      130.7748 3.589551 130.7748 3.589551 0.000000       0.000000 
1 1 1 0  20 33 o 7.408447 5.485209 -12.93633      5.180200      -12.93633      5.180200      -12.93633      5.180200      7.408447 5.485209 7.408447 5.485209 0.000000       0.000000 
1 1 1 0  20 34 o 12.06927 7.917979 -0.1419029     4.607062      -0.1419029     4.607062      -0.1419029     4.607062      12.06927 7.917979 12.06927 7.917979 -0.000000      0.000000 
1 1 1 0  20 35 o 21.02693 8.190954 6.214540       3.270922      6.214540       3.270922      6.214540       3.270922      21.02693 8.190954 21.02693 8.190954 -0.000000      0.000000 
1 1 1 0  20 36 o 18.14141 8.072530 4.937201       3.079640      4.937201       3.079640      4.937201       3.079640      18.14141 8.072530 18.14141 8.072530 -0.000000      0.000000 
1 1 1 0  20 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  20 38 o 43.16140 14.80263 27.77131       11.46275      27.77131       11.46275      27.77131       11.46275      43.16140 14.80263 43.16140 14.80263 -0.000000      0.000000 
1 1 1 0  20 39 o 40.38709 13.71604 24.39199       9.904156      24.39199       9.904156      24.39199       9.904156      40.38709 13.71604 40.38709 13.71604 -0.000000      0.000000 
1 1 1 0  20 40 o 33.59422 13.54454 19.19196       8.834394      19.19196       8.834394      19.19196       8.834394      33.59422 13.54454 33.59422 13.54454 -0.000000      0.000000 
1 1 1 0  20 41 o 10.16830 7.467766 -13.72979      8.473083      -13.72979      8.473083      -13.72979      8.473083      10.16830 7.467766 10.16830 7.467766 -0.000000      0.000000 
1 1 1 0  21 1  o 26.44403 14.35596 10.01751       10.53468      10.01751       10.53468      10.01751       10.53468      26.44403 14.35596 26.44403 14.35596 -0.000000      0.000000 
1 1 1 0  21 2  o 269.0730 4.134576 724.7462       22.23830      724.7462       22.23830      724.7462       22.23830      269.0730 4.134576 269.0730 4.134576 -0.000000      0.000000 
1 1 1 0  21 3  o 66.11814 7.937862 45.63138       10.24421      45.63138       10.24421      45.63138       10.24421      66.11814 7.937862 66.11814 7.937862 -0.000000      0.000000 
1 1 1 0  21 4  f 61.20932 7.850077 38.03678       9.649114      38.03678       9.649114      38.03678       9.649114      61.20932 7.850077 61.20932 7.850077 0.000000       0.000000 
1 1 1 0  21 5  o 587.5067 6.465174 3455.828       75.94603      3455.828       75.94603      3455.828       75.94603      587.5067 6.465174 587.5067 6.465174 -0.000000      0.000000 
1 1 1 0  21 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  21 7  o 256.8952 3.893181 660.6313       19.99251      660.6313       19.99251      660.6313       19.99251      256.8952 3.893181 256.8952 3.893181 -0.000000      0.000000 
1 1 1 0  21 8  o 175.6812 3.774357 309.1684       13.24805      309.1684       13.24805      309.1684       13.24805      175.6812 3.774357 175.6812 3.774357 0.000000       0.000000 
1 1 1 0  21 9  o 426.0698 5.003129 1817.179       42.62046      1817.179       42.62046      1817.179       42.62046      426.0698 5.003129 426.0698 5.003129 0.000000       0.000000 
1 1 1 0  21 10 o 372.0747 4.570333 1385.732       33.99860      1385.732       33.99860      1385.732       33.99860      372.0747 4.570333 372.0747 4.570333 0.000000       0.000000 
1 1 1 0  21 11 o 507.0750 5.703323 2574.514       57.82383      2574.514       57.82383      2574.514       57.82383      507.0750 5.703323 507.0750 5.703323 -0.000000      0.000000 
1 1 1 0  21 12 o 40.49709 11.99419 20.23338       8.437660      20.23338       8.437660      20.23338       8.437660      40.49709 11.99419 40.49709 11.99419 0.000000       0.000000 
1 1 1 0  21 13 o 141.0234 3.786335 199.4292       10.66220      199.4292       10.66220      199.4292       10.66220      141.0234 3.786335 141.0234 3.786335 -0.000000      0.000000 
1 1 1 0  21 14 o 91.42401 4.612387 84.30576       8.388069      84.30576       8.388069      84.30576       8.388069      91.42401 4.612387 91.42401 4.612387 -0.000000      0.000000 
1 1 1 0  21 15 o 146.1050 3.683096 214.0233       10.74721      214.0233       10.74721      214.0233       10.74721      146.1050 3.683096 146.1050 3.683096 -0.000000      0.000000 
1 1 1 0  21 16 o 256.7183 4.282877 660.2770       21.97617      660.2770       21.97617      660.2770       21.97617      256.7183 4.282877 256.7183 4.282877 -0.000000      0.000000 
1 1 1 0  21 17 o 22.97575 12.39149 7.665448       7.807138      7.665448       7.807138      7.665448       7.807138      22.97575 12.39149 22.97575 12.39149 0.000000       0.000000 
1 1 1 0  21 18 o 129.6281 4.165788 168.7532       10.77555      168.7532       10.77555      168.7532       10.77555      129.6281 4.165788 129.6281 4.165788 -0.000000      0.000000 
1 1 1 0  21 19 o 215.3300 4.010416 464.7444       17.25788      464.7444       17.25788      464.7444       17.25788      215.3300 4.010416 215.3300 4.010416 0.000000       0.000000 
1 1 1 0  21 20 o 46.62171 10.72331 25.07211       8.692703      25.07211       8.692703      25.07211       8.692703      46.62171 10.72331 46.62171 10.72331 -0.000000      0.000000 
1 1 1 0  21 21 o 51.33476 8.998279 28.62854       8.451830      28.62854       8.451830      28.62854       8.451830      51.33476 8.998279 51.33476 8.998279 0.000000       0.000000 
1 1 1 0  21 22 o 86.24576 5.432989 75.52096       9.294888      75.52096       9.294888      75.52096       9.294888      86.24576 5.432989 86.24576 5.432989 -0.000000      0.000000 
1 1 1 0  21 23 o 99.07652 4.119824 98.89986       8.133026      98.89986       8.133026      98.89986       8.133026      99.07652 4.119824 99.07652 4.119824 -0.000000      0.000000 
1 1 1 0  21 24 f 51.72216 6.632918 28.21763       6.679992      28.21763       6.679992      28.21763       6.679992      51.72216 6.632918 51.72216 6.632918 -0.000000      0.000000 
1 1 1 0  21 25 o 16.21329 10.26232 1.466495       6.970457      1.466495       6.970457      1.466495       6.970457      16.21329 10.26232 16.21329 10.26232 -0.000000      0.000000 
1 1 1 0  21 26 o 113.7113 4.359550 130.2843       9.882903      130.2843       9.882903      130.2843       9.882903      113.7113 4.359550 113.7113 4.359550 0.000000       0.000000 
1 1 1 0  21 27 o 46.51371 9.011006 24.12278       7.495420      24.12278       7.495420      24.12278       7.495420      46.51371 9.011006 46.51371 9.011006 -0.000000      0.000000 
1 1 1 0  21 28 o 32.72414 14.45594 15.94725       9.875818      15.94725       9.875818      15.94725       9.875818      32.72414 14.45594 32.72414 14.45594 0.000000       0.000000 
1 1 1 0  21 29 o 95.00642 7.064881 93.01972       13.27639      93.01972       13.27639      93.01972       13.27639      95.00642 7.064881 95.00642 7.064881 0.000000       0.000000 
1 1 1 0  21 30 o 159.4356 4.281478 256.0345       13.63061      256.0345       13.63061      256.0345       13.63061      159.4356 4.281478 159.4356 4.281478 -0.000000      0.000000 
1 1 1 0  21 31 o 65.39577 5.262714 43.97360       6.796178      43.97360       6.796178      43.97360       6.796178      65.39577 5.262714 65.39577 5.262714 0.000000       0.000000 
1 1 1 0  21 32 o 69.90845 4.851243 50.00961       6.716832      50.00961       6.716832      50.00961       6.716832      69.90845 4.851243 69.90845 4.851243 0.000000       0.000000 
1 1 1 0  21 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  21 34 o 21.27074 10.08034 6.988169       4.832349      6.988169       4.832349      6.988169       4.832349      21.27074 10.08034 21.27074 10.08034 -0.000000      0.000000 
1 1 1 0  21 35 o 23.35222 10.14253 8.225125       4.863521      8.225125       4.863521      8.225125       4.863521      23.35222 10.14253 23.35222 10.14253 -0.000000      0.000000 
1 1 1 0  21 36 o 41.11481 4.777420 17.86007       3.838392      17.86007       3.838392      17.86007       3.838392      41.11481 4.777420 41.11481 4.777420 -0.000000      0.000000 
1 1 1 0  21 37 o 16.19938 8.267006 4.281883       3.340350      4.281883       3.340350      4.281883       3.340350      16.19938 8.267006 16.19938 8.267006 0.000000       0.000000 
1 1 1 0  21 38 o 47.72017 2.520103 23.14512       2.391025      23.14512       2.391025      23.14512       2.391025      47.72017 2.520103 47.72017 2.520103 -0.000000      0.000000 
1 1 1 0  21 39 o 45.79563 12.71287 29.36533       10.06001      29.36533       10.06001      29.36533       10.06001      45.79563 12.71287 45.79563 12.71287 0.000000       0.000000 
1 1 1 0  21 40 o 95.85748 5.944959 99.53748       11.30689      99.53748       11.30689      99.53748       11.30689      95.85748 5.944959 95.85748 5.944959 0.000000       0.000000 
1 1 1 0  22 0  o 234.4471 5.498839 550.7504       25.75222      550.7504       25.75222      550.7504       25.75222      234.4471 5.498839 234.4471 5.498839 0.000000       0.000000 
1 1 1 0  22 1  o 336.3089 4.373805 1132.106       29.40783      1132.106       29.40783      1132.106       29.40783      336.3089 4.373805 336.3089 4.373805 -0.000000      0.000000 
1 1 1 0  22 2  o 426.1519 5.049588 1817.887       43.02428      1817.887       43.02428      1817.887       43.02428      426.1519 5.049588 426.1519 5.049588 -0.000000      0.000000 
1 1 1 0  22 3  o 124.7625 4.324116 156.2845       10.76138      156.2845       10.76138      156.2845       10.76138      124.7625 4.324116 124.7625 4.324116 0.000000       0.000000 
1 1 1 0  22 4  o 59.40690 7.491789 36.99535       8.671450      36.99535       8.671450      36.99535       8.671450      59.40690 7.491789 59.40690 7.491789 -0.000000      0.000000 
1 1 1 0  22 5  o 78.35635 5.958722 62.50670       9.231127      62.50670       9.231127      62.50670       9.231127      78.35635 5.958722 78.35635 5.958722 0.000000       0.000000 
1 1 1 0  22 6  o 79.40155 5.684064 64.05821       8.933578      64.05821       8.933578      64.05821       8.933578      79.40155 5.684064 79.40155 5.684064 0.000000       0.000000 
1 1 1 0  22 7  o 164.8203 3.799915 272.1872       12.51126      272.1872       12.51126      272.1872       12.51126      164.8203 3.799915 164.8203 3.799915 0.000000       0.000000 
1 1 1 0  22 8  o 41.64359 10.99385 20.60886       7.892153      20.60886       7.892153      20.60886       7.892153      41.64359 10.99385 41.64359 10.99385 -0.000000      0.000000 
1 1 1 0  22 9  o 229.1896 4.388338 526.1671       20.09878      526.1671       20.09878      526.1671       20.09878      229.1896 4.388338 229.1896 4.388338 0.000000       0.000000 
1 1 1 0  22 10 o 43.50295 10.29604 21.86991       7.771716      21.86991       7.771716      21.86991       7.771716      43.50295 10.29604 43.50295 10.29604 0.000000       0.000000 
1 1 1 0  22 11 o 15.89527 10.31012 0.8062181E-01  7.552096      0.8062181E-01  7.552096      0.8062181E-01  7.552096      15.89527 10.31012 15.89527 10.31012 -0.000000      0.000000 
1 1 1 0  22 12 o 136.6410 4.581669 187.5272       12.49000      187.5272       12.49000      187.5272       12.49000      136.6410 4.581669 136.6410 4.581669 0.000000       0.000000 
1 1 1 0  22 13 o 164.1989 4.280047 270.4160       14.03443      270.4160       14.03443      270.4160       14.03443      164.1989 4.280047 164.1989 4.280047 0.000000       0.000000 
1 1 1 0  22 14 o 96.07968 4.923470 93.16142       9.408240      93.16142       9.408240      93.16142       9.408240      96.07968 4.923470 96.07968 4.923470 -0.000000      0.000000 
1 1 1 0  22 15 o 56.11432 7.494221 33.24764       8.175533      33.24764       8.175533      33.24764       8.175533      56.11432 7.494221 56.11432 7.494221 -0.000000      0.000000 
1 1 1 0  22 16 o 49.29563 7.890075 25.80890       7.289969      25.80890       7.289969      25.80890       7.289969      49.29563 7.890075 49.29563 7.890075 0.000000       0.000000 
1 1 1 0  22 17 o 53.43469 6.694232 28.92608       7.240376      28.92608       7.240376      28.92608       7.240376      53.43469 6.694232 53.43469 6.694232 -0.000000      0.000000 
1 1 1 0  22 18 o 175.9711 3.539995 310.3727       12.44750      310.3727       12.44750      310.3727       12.44750      175.9711 3.539995 175.9711 3.539995 -0.000000      0.000000 
1 1 1 0  22 19 o 150.9955 3.586740 228.6882       10.81806      228.6882       10.81806      228.6882       10.81806      150.9955 3.586740 150.9955 3.586740 0.000000       0.000000 
1 1 1 0  22 20 o 119.1864 3.881598 142.7530       9.231127      142.7530       9.231127      142.7530       9.231127      119.1864 3.881598 119.1864 3.881598 -0.000000      0.000000 
1 1 1 0  22 21 o 195.9291 3.529829 384.8310       13.82190      384.8310       13.82190      384.8310       13.82190      195.9291 3.529829 195.9291 3.529829 0.000000       0.000000 
1 1 1 0  22 22 o 15.51749 9.864381 1.159736       6.502170      1.159736       6.502170      1.159736       6.502170      15.51749 9.864381 15.51749 9.864381 -0.000000      0.000000 
1 1 1 0  22 23 o 67.87421 8.844990 48.88317       11.68237      48.88317       11.68237      48.88317       11.68237      67.87421 8.844990 67.87421 8.844990 0.000000       0.000000 
1 1 1 0  22 24 o 103.5025 6.301053 109.0307       12.94341      109.0307       12.94341      109.0307       12.94341      103.5025 6.301053 103.5025 6.301053 -0.000000      0.000000 
1 1 1 0  22 25 o 37.36156 14.76511 19.72330       10.57010      19.72330       10.57010      19.72330       10.57010      37.36156 14.76511 37.36156 14.76511 0.000000       0.000000 
1 1 1 0  22 26 o 41.28151 11.67457 20.99851       8.338477      20.99851       8.338477      20.99851       8.338477      41.28151 11.67457 41.28151 11.67457 0.000000       0.000000 
1 1 1 0  22 27 o 21.89639 12.69688 6.446911       8.912323      6.446911       8.912323      6.446911       8.912323      21.89639 12.69688 21.89639 12.69688 0.000000       0.000000 
1 1 1 0  22 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  22 29 o 11.08323 7.901213 -8.090520      7.028550      -8.090520      7.028550      -8.090520      7.028550      11.08323 7.901213 11.08323 7.901213 -0.000000      0.000000 
1 1 1 0  22 30 o 47.70025 10.08059 26.14187       8.458915      26.14187       8.458915      26.14187       8.458915      47.70025 10.08059 47.70025 10.08059 0.000000       0.000000 
1 1 1 0  22 31 o 154.1811 4.266726 239.8818       13.13470      239.8818       13.13470      239.8818       13.13470      154.1811 4.266726 154.1811 4.266726 0.000000       0.000000 
1 1 1 0  22 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  22 33 o 58.97771 5.517680 36.23022       6.402279      36.23022       6.402279      36.23022       6.402279      58.97771 5.517680 58.97771 5.517680 -0.000000      0.000000 
1 1 1 0  22 34 o 13.14946 8.562750 0.2908195      5.271589      0.2908195      5.271589      0.2908195      5.271589      13.14946 8.562750 13.14946 8.562750 0.000000       0.000000 
1 1 1 0  22 35 o 109.8443 3.471058 122.0662       7.608772      122.0662       7.608772      122.0662       7.608772      109.8443 3.471058 109.8443 3.471058 -0.000000      0.000000 
1 1 1 0  22 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  22 37 f 12.87085 8.177540 1.385023       4.463246      1.385023       4.463246      1.385023       4.463246      12.87085 8.177540 12.87085 8.177540 0.000000       0.000000 
1 1 1 0  22 38 o 12.42457 7.253693 2.221705       2.940784      2.221705       2.940784      2.221705       2.940784      12.42457 7.253693 12.42457 7.253693 0.000000       0.000000 
1 1 1 0  22 39 o 7.300110 4.939708 -0.6416448     2.047426      -0.6416448     2.047426      -0.6416448     2.047426      7.300110 4.939708 7.300110 4.939708 -0.000000      0.000000 
1 1 1 0  23 1  o 357.7156 4.501268 1280.881       32.19205      1280.881       32.19205      1280.881       32.19205      357.7156 4.501268 357.7156 4.501268 -0.000000      0.000000 
1 1 1 0  23 2  o 84.77467 5.504564 72.82884       9.252379      72.82884       9.252379      72.82884       9.252379      84.77467 5.504564 84.77467 5.504564 -0.000000      0.000000 
1 1 1 0  23 3  o 441.4601 5.165809 1951.076       45.59596      1951.076       45.59596      1951.076       45.59596      441.4601 5.165809 441.4601 5.165809 -0.000000      0.000000 
1 1 1 0  23 4  f 103.5608 4.672260 107.9680       9.634944      107.9680       9.634944      107.9680       9.634944      103.5608 4.672260 103.5608 4.672260 -0.000000      0.000000 
1 1 1 0  23 5  o 200.8042 3.742659 403.8175       15.01918      403.8175       15.01918      403.8175       15.01918      200.8042 3.742659 200.8042 3.742659 0.000000       0.000000 
1 1 1 0  23 6  f 377.9737 4.655573 1430.364       35.18171      1430.364       35.18171      1430.364       35.18171      377.9737 4.655573 377.9737 4.655573 -0.000000      0.000000 
1 1 1 0  23 7  o 44.50937 10.28387 22.76964       7.955913      22.76964       7.955913      22.76964       7.955913      44.50937 10.28387 44.50937 10.28387 -0.000000      0.000000 
1 1 1 0  23 8  o 314.4325 4.830972 990.4156       30.36424      990.4156       30.36424      990.4156       30.36424      314.4325 4.830972 314.4325 4.830972 0.000000       0.000000 
1 1 1 0  23 9  o 331.4366 6.157591 1101.642       40.78557      1101.642       40.78557      1101.642       40.78557      331.4366 6.157591 331.4366 6.157591 -0.000000      0.000000 
1 1 1 0  23 10 o 368.4445 5.262274 1360.227       38.75940      1360.227       38.75940      1360.227       38.75940      368.4445 5.262274 368.4445 5.262274 -0.000000      0.000000 
1 1 1 0  23 11 o 310.7838 4.821596 967.7452       29.95334      967.7452       29.95334      967.7452       29.95334      310.7838 4.821596 310.7838 4.821596 -0.000000      0.000000 
1 1 1 0  23 12 o 92.81610 4.735620 86.92703       8.742295      86.92703       8.742295      86.92703       8.742295      92.81610 4.735620 92.81610 4.735620 0.000000       0.000000 
1 1 1 0  23 13 o 152.2323 3.767679 232.3722       11.45567      232.3722       11.45567      232.3722       11.45567      152.2323 3.767679 152.2323 3.767679 0.000000       0.000000 
1 1 1 0  23 14 o 71.32215 5.451723 51.85158       7.686701      51.85158       7.686701      51.85158       7.686701      71.32215 5.451723 71.32215 5.451723 -0.000000      0.000000 
1 1 1 0  23 15 o 15.99903 10.12903 1.304968       6.794053      1.304968       6.794053      1.304968       6.794053      15.99903 10.12903 15.99903 10.12903 -0.000000      0.000000 
1 1 1 0  23 16 o 216.1062 3.660885 467.9324       15.81264      467.9324       15.81264      467.9324       15.81264      216.1062 3.660885 216.1062 3.660885 -0.000000      0.000000 
1 1 1 0  23 17 o 49.74539 7.868377 26.26231       7.360813      26.26231       7.360813      26.26231       7.360813      49.74539 7.868377 49.74539 7.868377 -0.000000      0.000000 
1 1 1 0  23 18 o 42.64042 9.212354 20.65845       6.885443      20.65845       6.885443      20.65845       6.885443      42.64042 9.212354 42.64042 9.212354 -0.000000      0.000000 
1 1 1 0  23 19 o 103.8852 4.771410 108.8890       9.868733      108.8890       9.868733      108.8890       9.868733      103.8852 4.771410 103.8852 4.771410 -0.000000      0.000000 
1 1 1 0  23 20 o 18.22818 11.03311 3.504003       7.247461      3.504003       7.247461      3.504003       7.247461      18.22818 11.03311 18.22818 11.03311 -0.000000      0.000000 
1 1 1 0  23 21 o 160.9044 4.140432 260.0727       13.30472      260.0727       13.30472      260.0727       13.30472      160.9044 4.140432 160.9044 4.140432 -0.000000      0.000000 
1 1 1 0  23 22 o 73.14651 5.925740 54.82000       8.558097      54.82000       8.558097      54.82000       8.558097      73.14651 5.925740 73.14651 5.925740 -0.000000      0.000000 
1 1 1 0  23 23 o 105.0340 4.755911 111.4395       9.946663      111.4395       9.946663      111.4395       9.946663      105.0340 4.755911 105.0340 4.755911 0.000000       0.000000 
1 1 1 0  23 24 o 65.58936 5.771888 44.24990       7.459997      44.24990       7.459997      44.24990       7.459997      65.58936 5.771888 65.58936 5.771888 0.000000       0.000000 
1 1 1 0  23 25 o 17.18016 10.69974 2.428572       7.226208      2.428572       7.226208      2.428572       7.226208      17.18016 10.69974 17.18016 10.69974 0.000000       0.000000 
1 1 1 0  23 26 o 17.37080 11.65313 -2.828848      10.97392      -2.828848      10.97392      -2.828848      10.97392      17.37080 11.65313 17.37080 11.65313 -0.000000      0.000000 
1 1 1 0  23 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  23 28 o 28.47920 14.34917 12.67420       9.989170      12.67420       9.989170      12.67420       9.989170      28.47920 14.34917 28.47920 14.34917 0.000000       0.000000 
1 1 1 0  23 29 o 58.36322 6.628926 35.82641       7.566265      35.82641       7.566265      35.82641       7.566265      58.36322 6.628926 58.36322 6.628926 -0.000000      0.000000 
1 1 1 0  23 30 o 28.53957 12.09468 12.00117       6.950621      12.00117       6.950621      12.00117       6.950621      28.53957 12.09468 28.53957 12.09468 -0.000000      0.000000 
1 1 1 0  23 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  23 32 o 14.12984 9.556732 -2.389608      7.651280      -2.389608      7.651280      -2.389608      7.651280      14.12984 9.556732 14.12984 9.556732 -0.000000      0.000000 
1 1 1 0  23 33 o 79.08389 5.638590 64.66747       8.827310      64.66747       8.827310      64.66747       8.827310      79.08389 5.638590 79.08389 5.638590 0.000000       0.000000 
1 1 1 0  23 34 o 13.07995 8.710807 -0.6551054     5.882984      -0.6551054     5.882984      -0.6551054     5.882984      13.07995 8.710807 13.07995 8.710807 0.000000       0.000000 
1 1 1 0  23 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  23 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  23 37 o 14.72373 8.711234 3.169613       4.333600      3.169613       4.333600      3.169613       4.333600      14.72373 8.711234 14.72373 8.711234 -0.000000      0.000000 
1 1 1 0  23 38 o 15.88469 8.160578 4.202536       3.267380      4.202536       3.267380      4.202536       3.267380      15.88469 8.160578 15.88469 8.160578 -0.000000      0.000000 
1 1 1 0  23 39 o 52.45728 3.284004 28.52227       3.417571      28.52227       3.417571      28.52227       3.417571      52.45728 3.284004 52.45728 3.284004 -0.000000      0.000000 
1 1 1 0  24 0  o 387.2682 6.759503 1502.626       52.31916      1502.626       52.31916      1502.626       52.31916      387.2682 6.759503 387.2682 6.759503 0.000000       0.000000 
1 1 1 0  24 1  o 266.9146 3.995288 713.4109       21.31731      713.4109       21.31731      713.4109       21.31731      266.9146 3.995288 266.9146 3.995288 -0.000000      0.000000 
1 1 1 0  24 2  o 394.9456 4.818848 1562.136       38.05095      1562.136       38.05095      1562.136       38.05095      394.9456 4.818848 394.9456 4.818848 0.000000       0.000000 
1 1 1 0  24 3  o 284.3690 4.052715 809.7604       23.03885      809.7604       23.03885      809.7604       23.03885      284.3690 4.052715 284.3690 4.052715 0.000000       0.000000 
1 1 1 0  24 4  o 266.4524 4.552229 711.2856       24.24322      711.2856       24.24322      711.2856       24.24322      266.4524 4.552229 266.4524 4.552229 -0.000000      0.000000 
1 1 1 0  24 5  o 191.9441 4.315857 369.3159       16.54943      369.3159       16.54943      369.3159       16.54943      191.9441 4.315857 191.9441 4.315857 -0.000000      0.000000 
1 1 1 0  24 6  o 62.25428 7.619632 40.58012       9.252379      40.58012       9.252379      40.58012       9.252379      62.25428 7.619632 62.25428 7.619632 -0.000000      0.000000 
1 1 1 0  24 7  o 230.6694 4.383186 533.1808       20.20504      533.1808       20.20504      533.1808       20.20504      230.6694 4.383186 230.6694 4.383186 -0.000000      0.000000 
1 1 1 0  24 8  o 146.8431 3.998874 216.2903       11.72488      216.2903       11.72488      216.2903       11.72488      146.8431 3.998874 146.8431 3.998874 -0.000000      0.000000 
1 1 1 0  24 9  o 22.61488 12.27100 7.374983       7.693786      7.374983       7.693786      7.374983       7.693786      22.61488 12.27100 22.61488 12.27100 -0.000000      0.000000 
1 1 1 0  24 10 o 86.10057 5.105893 75.02505       8.728126      75.02505       8.728126      75.02505       8.728126      86.10057 5.105893 86.10057 5.105893 -0.000000      0.000000 
1 1 1 0  24 11 o 38.82605 12.79688 19.39032       8.791886      19.39032       8.791886      19.39032       8.791886      38.82605 12.79688 38.82605 12.79688 0.000000       0.000000 
1 1 1 0  24 12 o 19.60022 11.45826 4.768589       7.353730      4.768589       7.353730      4.768589       7.353730      19.60022 11.45826 19.60022 11.45826 0.000000       0.000000 
1 1 1 0  24 13 o 230.8493 3.781610 533.8893       17.44917      533.8893       17.44917      533.8893       17.44917      230.8493 3.781610 230.8493 3.781610 0.000000       0.000000 
1 1 1 0  24 14 o 15.76820 10.00864 1.185948       6.671490      1.185948       6.671490      1.185948       6.671490      15.76820 10.00864 15.76820 10.00864 0.000000       0.000000 
1 1 1 0  24 15 o 45.45029 9.000462 23.00343       7.282885      23.00343       7.282885      23.00343       7.282885      45.45029 9.000462 45.45029 9.000462 0.000000       0.000000 
1 1 1 0  24 16 o 93.08840 5.352921 87.77718       9.897071      87.77718       9.897071      87.77718       9.897071      93.08840 5.352921 93.08840 5.352921 0.000000       0.000000 
1 1 1 0  24 17 o 26.03272 12.55655 10.16628       7.530843      10.16628       7.530843      10.16628       7.530843      26.03272 12.55655 26.03272 12.55655 0.000000       0.000000 
1 1 1 0  24 18 o 102.9338 4.903540 106.9762       10.04585      106.9762       10.04585      106.9762       10.04585      102.9338 4.903540 102.9338 4.903540 0.000000       0.000000 
1 1 1 0  24 19 o 17.30602 10.60446 2.853644       6.877649      2.853644       6.877649      2.853644       6.877649      17.30602 10.60446 17.30602 10.60446 -0.000000      0.000000 
1 1 1 0  24 20 o 138.8904 3.819230 193.7616       10.59135      193.7616       10.59135      193.7616       10.59135      138.8904 3.819230 138.8904 3.819230 -0.000000      0.000000 
1 1 1 0  24 21 f 14.53323 9.478807 -0.1104476     6.490126      -0.1104476     6.490126      -0.1104476     6.490126      14.53323 9.478807 14.53323 9.478807 0.000000       0.000000 
1 1 1 0  24 22 o 73.46030 5.420949 55.11754       7.877984      55.11754       7.877984      55.11754       7.877984      73.46030 5.420949 73.46030 5.420949 0.000000       0.000000 
1 1 1 0  24 23 o 27.12273 13.12323 11.16520       8.232210      11.16520       8.232210      11.16520       8.232210      27.12273 13.12323 27.12273 13.12323 -0.000000      0.000000 
1 1 1 0  24 24 f 37.48576 11.86658 17.98759       7.800055      17.98759       7.800055      17.98759       7.800055      37.48576 11.86658 37.48576 11.86658 -0.000000      0.000000 
1 1 1 0  24 25 o 18.66284 11.71497 2.582307       8.876901      2.582307       8.876901      2.582307       8.876901      18.66284 11.71497 18.66284 11.71497 -0.000000      0.000000 
1 1 1 0  24 26 o 167.9022 4.295282 283.9475       14.40283      283.9475       14.40283      283.9475       14.40283      167.9022 4.295282 167.9022 4.295282 -0.000000      0.000000 
1 1 1 0  24 27 o 88.89074 5.205677 80.40928       9.188620      80.40928       9.188620      80.40928       9.188620      88.89074 5.205677 88.89074 5.205677 0.000000       0.000000 
1 1 1 0  24 28 o 192.7256 3.771079 373.5666       14.52326      373.5666       14.52326      373.5666       14.52326      192.7256 3.771079 192.7256 3.771079 -0.000000      0.000000 
1 1 1 0  24 29 o 30.74570 14.05384 14.58702       9.344479      14.58702       9.344479      14.58702       9.344479      30.74570 14.05384 30.74570 14.05384 0.000000       0.000000 
1 1 1 0  24 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  24 31 o 11.87263 8.490480 -9.642029      8.295970      -9.642029      8.295970      -9.642029      8.295970      11.87263 8.490480 11.87263 8.490480 0.000000       0.000000 
1 1 1 0  24 32 o 75.01774 4.872589 57.76007       7.247461      57.76007       7.247461      57.76007       7.247461      75.01774 4.872589 75.01774 4.872589 0.000000       0.000000 
1 1 1 0  24 33 o 62.44785 5.645886 40.88475       6.942828      40.88475       6.942828      40.88475       6.942828      62.44785 5.645886 62.44785 5.645886 -0.000000      0.000000 
1 1 1 0  24 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  24 35 o 15.12689 10.11141 -0.4059428     8.104689      -0.4059428     8.104689      -0.4059428     8.104689      15.12689 10.11141 15.12689 10.11141 -0.000000      0.000000 
1 1 1 0  24 36 o 81.06033 4.098050 67.64297       6.607729      67.64297       6.607729      67.64297       6.607729      81.06033 4.098050 81.06033 4.098050 0.000000       0.000000 
1 1 1 0  24 37 o 33.48796 8.327297 14.09111       4.821014      14.09111       4.821014      14.09111       4.821014      33.48796 8.327297 33.48796 8.327297 -0.000000      0.000000 
1 1 1 0  24 38 o 43.49094 6.318460 21.15437       5.299928      21.15437       5.299928      21.15437       5.299928      43.49094 6.318460 43.49094 6.318460 -0.000000      0.000000 
1 1 1 0  25 1  o 50.45988 10.67194 28.72772       9.472000      28.72772       9.472000      28.72772       9.472000      50.45988 10.67194 50.45988 10.67194 0.000000       0.000000 
1 1 1 0  25 2  o 96.93439 5.649323 95.07423       10.87473      95.07423       10.87473      95.07423       10.87473      96.93439 5.649323 96.93439 5.649323 -0.000000      0.000000 
1 1 1 0  25 3  o 72.10576 6.788031 53.48811       9.627860      53.48811       9.627860      53.48811       9.627860      72.10576 6.788031 72.10576 6.788031 0.000000       0.000000 
1 1 1 0  25 4  o 13.02521 9.048067 -5.563472      7.750463      -5.563472      7.750463      -5.563472      7.750463      13.02521 9.048067 13.02521 9.048067 -0.000000      0.000000 
1 1 1 0  25 5  o 190.9294 3.817842 365.2777       14.56577      365.2777       14.56577      365.2777       14.56577      190.9294 3.817842 190.9294 3.817842 -0.000000      0.000000 
1 1 1 0  25 6  o 99.92534 4.791423 100.6710       9.528677      100.6710       9.528677      100.6710       9.528677      99.92534 4.791423 99.92534 4.791423 -0.000000      0.000000 
1 1 1 0  25 7  o 283.3347 4.071294 804.0928       23.06011      804.0928       23.06011      804.0928       23.06011      283.3347 4.071294 283.3347 4.071294 0.000000       0.000000 
1 1 1 0  25 8  o 60.80638 8.173761 37.97301       9.826226      37.97301       9.826226      37.97301       9.826226      60.80638 8.173761 60.80638 8.173761 0.000000       0.000000 
1 1 1 0  25 9  o 299.9335 4.160145 901.1507       24.94459      901.1507       24.94459      901.1507       24.94459      299.9335 4.160145 299.9335 4.160145 -0.000000      0.000000 
1 1 1 0  25 10 o 95.87227 4.757933 92.73634       9.075267      92.73634       9.075267      92.73634       9.075267      95.87227 4.757933 95.87227 4.757933 -0.000000      0.000000 
1 1 1 0  25 11 o 20.65466 11.73653 5.763256       7.424574      5.763256       7.424574      5.763256       7.424574      20.65466 11.73653 20.65466 11.73653 -0.000000      0.000000 
1 1 1 0  25 12 o 60.95724 7.515648 39.00027       8.933578      39.00027       8.933578      39.00027       8.933578      60.95724 7.515648 60.95724 7.515648 0.000000       0.000000 
1 1 1 0  25 13 o 79.29099 6.056233 64.18573       9.493254      64.18573       9.493254      64.18573       9.493254      79.29099 6.056233 79.29099 6.056233 0.000000       0.000000 
1 1 1 0  25 14 o 233.6441 4.316569 547.5624       20.15545      547.5624       20.15545      547.5624       20.15545      233.6441 4.316569 233.6441 4.316569 0.000000       0.000000 
1 1 1 0  25 15 o 132.6333 4.578872 176.9713       12.11453      176.9713       12.11453      176.9713       12.11453      132.6333 4.578872 132.6333 4.578872 -0.000000      0.000000 
1 1 1 0  25 16 o 209.0268 3.690112 438.0357       15.41591      438.0357       15.41591      438.0357       15.41591      209.0268 3.690112 209.0268 3.690112 -0.000000      0.000000 
1 1 1 0  25 17 o 19.51431 11.31505 4.951370       7.077433      4.951370       7.077433      4.951370       7.077433      19.51431 11.31505 19.51431 11.31505 0.000000       0.000000 
1 1 1 0  25 18 o 53.41718 7.064943 30.20838       7.339560      30.20838       7.339560      30.20838       7.339560      53.41718 7.064943 53.41718 7.064943 0.000000       0.000000 
1 1 1 0  25 19 o 32.68586 11.84862 14.37449       7.091603      14.37449       7.091603      14.37449       7.091603      32.68586 11.84862 32.68586 11.84862 0.000000       0.000000 
1 1 1 0  25 20 o 35.90279 11.46824 16.50693       7.233293      16.50693       7.233293      16.50693       7.233293      35.90279 11.46824 35.90279 11.46824 0.000000       0.000000 
1 1 1 0  25 21 o 141.2775 3.900419 200.5627       11.00226      200.5627       11.00226      200.5627       11.00226      141.2775 3.900419 141.2775 3.900419 -0.000000      0.000000 
1 1 1 0  25 22 o 137.8255 4.081509 191.0694       11.22896      191.0694       11.22896      191.0694       11.22896      137.8255 4.081509 137.8255 4.081509 -0.000000      0.000000 
1 1 1 0  25 23 o 97.84917 5.200541 97.05790       10.11669      97.05790       10.11669      97.05790       10.11669      97.84917 5.200541 97.84917 5.200541 0.000000       0.000000 
1 1 1 0  25 24 o 27.22921 14.60500 11.42024       10.79680      11.42024       10.79680      11.42024       10.79680      27.22921 14.60500 27.22921 14.60500 -0.000000      0.000000 
1 1 1 0  25 25 o 33.76345 14.22616 16.78322       9.627860      16.78322       9.627860      16.78322       9.627860      33.76345 14.22616 33.76345 14.22616 -0.000000      0.000000 
1 1 1 0  25 26 o 68.57652 6.605917 48.88317       8.905238      48.88317       8.905238      48.88317       8.905238      68.57652 6.605917 68.57652 6.605917 -0.000000      0.000000 
1 1 1 0  25 27 o 67.14478 6.351728 46.86409       8.388069      46.86409       8.388069      46.86409       8.388069      67.14478 6.351728 67.14478 6.351728 -0.000000      0.000000 
1 1 1 0  25 28 o 137.0003 4.663305 189.8651       12.74505      189.8651       12.74505      189.8651       12.74505      137.0003 4.663305 137.0003 4.663305 -0.000000      0.000000 
1 1 1 0  25 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  25 30 o 50.07901 7.509810 26.83615       7.183701      26.83615       7.183701      26.83615       7.183701      50.07901 7.509810 50.07901 7.509810 -0.000000      0.000000 
1 1 1 0  25 31 o 14.19704 9.736297 -3.658445      8.402238      -3.658445      8.402238      -3.658445      8.402238      14.19704 9.736297 14.19704 9.736297 0.000000       0.000000 
1 1 1 0  25 32 o 37.80869 12.69882 19.84373       8.551013      19.84373       8.551013      19.84373       8.551013      37.80869 12.69882 37.80869 12.69882 0.000000       0.000000 
1 1 1 0  25 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  25 34 o 13.05277 8.817548 -1.442408      6.483750      -1.442408      6.483750      -1.442408      6.483750      13.05277 8.817548 13.05277 8.817548 -0.000000      0.000000 
1 1 1 0  25 35 o 43.28609 7.847785 21.56527       6.164948      21.56527       6.164948      21.56527       6.164948      43.28609 7.847785 43.28609 7.847785 -0.000000      0.000000 
1 1 1 0  25 36 o 19.77372 11.11291 7.084518       6.570182      7.084518       6.570182      7.084518       6.570182      19.77372 11.11291 19.77372 11.11291 -0.000000      0.000000 
1 1 1 0  25 37 o 11.25191 7.551075 -0.3868856     4.615563      -0.3868856     4.615563      -0.3868856     4.615563      11.25191 7.551075 11.25191 7.551075 0.000000       0.000000 
1 1 1 0  26 0  f 81.34262 8.148121 68.27350       13.01426      68.27350       13.01426      68.27350       13.01426      81.34262 8.148121 81.34262 8.148121 -0.000000      0.000000 
1 1 1 0  26 1  o 16.02123 10.59856 -1.224205      8.480167      -1.224205      8.480167      -1.224205      8.480167      16.02123 10.59856 16.02123 10.59856 0.000000       0.000000 
1 1 1 0  26 2  o 81.82635 6.053028 68.20265       9.797889      68.20265       9.797889      68.20265       9.797889      81.82635 6.053028 81.82635 6.053028 -0.000000      0.000000 
1 1 1 0  26 3  o 166.4893 4.455915 278.1382       14.81373      278.1382       14.81373      278.1382       14.81373      166.4893 4.455915 166.4893 4.455915 0.000000       0.000000 
1 1 1 0  26 4  o 264.3306 4.583497 700.3046       24.21488      700.3046       24.21488      700.3046       24.21488      264.3306 4.583497 264.3306 4.583497 0.000000       0.000000 
1 1 1 0  26 5  o 20.48716 11.82193 5.464289       7.665448      5.464289       7.665448      5.464289       7.665448      20.48716 11.82193 20.48716 11.82193 -0.000000      0.000000 
1 1 1 0  26 6  o 24.19330 12.47926 8.706873       7.658363      8.706873       7.658363      8.706873       7.658363      24.19330 12.47926 24.19330 12.47926 -0.000000      0.000000 
1 1 1 0  26 7  o 44.63073 10.23120 22.90425       7.941744      22.90425       7.941744      22.90425       7.941744      44.63073 10.23120 44.63073 10.23120 0.000000       0.000000 
1 1 1 0  26 8  o 81.42078 6.282043 67.67132       10.10961      67.67132       10.10961      67.67132       10.10961      81.42078 6.282043 81.42078 6.282043 0.000000       0.000000 
1 1 1 0  26 9  o 139.8201 4.688288 196.5245       13.07802      196.5245       13.07802      196.5245       13.07802      139.8201 4.688288 139.8201 4.688288 -0.000000      0.000000 
1 1 1 0  26 10 o 19.47342 12.30657 2.148026       9.989170      2.148026       9.989170      2.148026       9.989170      19.47342 12.30657 19.47342 12.30657 -0.000000      0.000000 
1 1 1 0  26 11 o 23.54510 12.96954 7.977167       8.706873      7.977167       8.706873      7.977167       8.706873      23.54510 12.96954 23.54510 12.96954 0.000000       0.000000 
1 1 1 0  26 12 o 62.77855 6.488993 40.84225       7.991336      40.84225       7.991336      40.84225       7.991336      62.77855 6.488993 62.77855 6.488993 0.000000       0.000000 
1 1 1 0  26 13 o 45.04082 9.361260 22.86882       7.438744      22.86882       7.438744      22.86882       7.438744      45.04082 9.361260 45.04082 9.361260 0.000000       0.000000 
1 1 1 0  26 14 f 151.5445 3.902243 230.5302       11.80989      230.5302       11.80989      230.5302       11.80989      151.5445 3.902243 151.5445 3.902243 0.000000       0.000000 
1 1 1 0  26 15 o 104.7054 4.466282 110.5185       9.316141      110.5185       9.316141      110.5185       9.316141      104.7054 4.466282 104.7054 4.466282 0.000000       0.000000 
1 1 1 0  26 16 o 111.1474 4.413149 124.4750       9.776634      124.4750       9.776634      124.4750       9.776634      111.1474 4.413149 111.1474 4.413149 0.000000       0.000000 
1 1 1 0  26 17 o 86.28671 5.119729 75.52096       8.770633      75.52096       8.770633      75.52096       8.770633      86.28671 5.119729 86.28671 5.119729 -0.000000      0.000000 
1 1 1 0  26 18 o 54.17052 7.185454 30.18005       7.729208      30.18005       7.729208      30.18005       7.729208      54.17052 7.185454 54.17052 7.185454 -0.000000      0.000000 
1 1 1 0  26 19 o 19.07879 11.30559 4.410112       7.318307      4.410112       7.318307      4.410112       7.318307      19.07879 11.30559 19.07879 11.30559 0.000000       0.000000 
1 1 1 0  26 20 o 123.9195 4.238608 154.5842       10.47800      154.5842       10.47800      154.5842       10.47800      123.9195 4.238608 123.9195 4.238608 0.000000       0.000000 
1 1 1 0  26 21 f 51.41558 8.520609 28.50810       8.133026      28.50810       8.133026      28.50810       8.133026      51.41558 8.520609 51.41558 8.520609 -0.000000      0.000000 
1 1 1 0  26 22 o 79.09166 6.322265 64.25658       9.875818      64.25658       9.875818      64.25658       9.875818      79.09166 6.322265 79.09166 6.322265 0.000000       0.000000 
1 1 1 0  26 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  26 24 o 12.70820 9.019905 -9.273635      8.876901      -9.273635      8.876901      -9.273635      8.876901      12.70820 9.019905 12.70820 9.019905 -0.000000      0.000000 
1 1 1 0  26 25 o 34.59645 12.69140 16.45733       8.083434      16.45733       8.083434      16.45733       8.083434      34.59645 12.69140 34.59645 12.69140 0.000000       0.000000 
1 1 1 0  26 26 o 20.84833 12.48006 5.416114       9.068183      5.416114       9.068183      5.416114       9.068183      20.84833 12.48006 20.84833 12.48006 -0.000000      0.000000 
1 1 1 0  26 27 o 38.56301 11.81861 19.11403       7.948828      19.11403       7.948828      19.11403       7.948828      38.56301 11.81861 38.56301 11.81861 0.000000       0.000000 
1 1 1 0  26 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  26 29 o 11.84625 8.340117 -6.329308      7.212039      -6.329308      7.212039      -6.329308      7.212039      11.84625 8.340117 11.84625 8.340117 0.000000       0.000000 
1 1 1 0  26 30 o 22.42222 12.10302 8.026759       7.452912      8.026759       7.452912      8.026759       7.452912      22.42222 12.10302 22.42222 12.10302 -0.000000      0.000000 
1 1 1 0  26 31 o 21.64618 12.02525 7.608772       7.573349      7.608772       7.573349      7.608772       7.573349      21.64618 12.02525 21.64618 12.02525 -0.000000      0.000000 
1 1 1 0  26 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  26 33 o 94.63937 5.916535 93.94070       11.10852      93.94070       11.10852      93.94070       11.10852      94.63937 5.916535 94.63937 5.916535 0.000000       0.000000 
1 1 1 0  26 34 o 15.02180 9.808907 1.184531       6.974000      1.184531       6.974000      1.184531       6.974000      15.02180 9.808907 15.02180 9.808907 0.000000       0.000000 
1 1 1 0  26 35 o 24.93967 10.91892 10.20879       5.634317      10.20879       5.634317      10.20879       5.634317      24.93967 10.91892 24.93967 10.91892 -0.000000      0.000000 
1 1 1 0  26 36 o 62.51706 5.108535 41.86242       6.304513      41.86242       6.304513      41.86242       6.304513      62.51706 5.108535 62.51706 5.108535 -0.000000      0.000000 
1 1 1 0  27 1  o 27.74889 12.80944 11.37774       7.771716      11.37774       7.771716      11.37774       7.771716      27.74889 12.80944 27.74889 12.80944 -0.000000      0.000000 
1 1 1 0  27 2  o 132.6789 4.039643 176.7587       10.69762      176.7587       10.69762      176.7587       10.69762      132.6789 4.039643 132.6789 4.039643 -0.000000      0.000000 
1 1 1 0  27 3  o 54.90578 7.410925 30.99477       8.033843      30.99477       8.033843      30.99477       8.033843      54.90578 7.410925 54.90578 7.410925 -0.000000      0.000000 
1 1 1 0  27 4  o 13.81568 9.605329 -6.691327      8.898154      -6.691327      8.898154      -6.691327      8.898154      13.81568 9.605329 13.81568 9.605329 0.000000       0.000000 
1 1 1 0  27 5  o 136.7115 5.742934 188.4482       15.64262      188.4482       15.64262      188.4482       15.64262      136.7115 5.742934 136.7115 5.742934 0.000000       0.000000 
1 1 1 0  27 6  o 16.38034 11.02443 -3.292884      9.967916      -3.292884      9.967916      -3.292884      9.967916      16.38034 11.02443 16.38034 11.02443 0.000000       0.000000 
1 1 1 0  27 7  o 51.44278 13.49846 31.70322       11.97283      31.70322       11.97283      31.70322       11.97283      51.44278 13.49846 51.44278 13.49846 -0.000000      0.000000 
1 1 1 0  27 8  o 18.01193 11.38229 1.834182       8.543928      1.834182       8.543928      1.834182       8.543928      18.01193 11.38229 18.01193 11.38229 -0.000000      0.000000 
1 1 1 0  27 9  o 226.9887 3.925833 516.6031       17.81048      516.6031       17.81048      516.6031       17.81048      226.9887 3.925833 226.9887 3.925833 0.000000       0.000000 
1 1 1 0  27 10 o 62.29060 6.800973 40.37467       8.295970      40.37467       8.295970      40.37467       8.295970      62.29060 6.800973 62.29060 6.800973 -0.000000      0.000000 
1 1 1 0  27 11 o 16.82165 10.65898 1.484915       7.537927      1.484915       7.537927      1.484915       7.537927      16.82165 10.65898 16.82165 10.65898 0.000000       0.000000 
1 1 1 0  27 12 o 45.74331 9.782844 23.76147       7.856731      23.76147       7.856731      23.76147       7.856731      45.74331 9.782844 45.74331 9.782844 -0.000000      0.000000 
1 1 1 0  27 13 o 45.76028 9.714461 23.76147       7.814223      23.76147       7.814223      23.76147       7.814223      45.76028 9.714461 45.76028 9.714461 0.000000       0.000000 
1 1 1 0  27 14 o 87.67954 5.221806 78.00054       9.089437      78.00054       9.089437      78.00054       9.089437      87.67954 5.221806 87.67954 5.221806 0.000000       0.000000 
1 1 1 0  27 15 o 24.16296 12.44880 8.798972       7.615856      8.798972       7.615856      8.798972       7.615856      24.16296 12.44880 24.16296 12.44880 -0.000000      0.000000 
1 1 1 0  27 16 o 142.5191 4.131041 204.1758       11.75322      204.1758       11.75322      204.1758       11.75322      142.5191 4.131041 142.5191 4.131041 -0.000000      0.000000 
1 1 1 0  27 17 o 56.39965 7.648263 33.84983       8.380984      33.84983       8.380984      33.84983       8.380984      56.39965 7.648263 56.39965 7.648263 0.000000       0.000000 
1 1 1 0  27 18 o 14.76331 9.868752 -1.856144      7.722124      -1.856144      7.722124      -1.856144      7.722124      14.76331 9.868752 14.76331 9.868752 0.000000       0.000000 
1 1 1 0  27 19 o 24.07841 12.62539 8.777717       7.927575      8.777717       7.927575      8.777717       7.927575      24.07841 12.62539 24.07841 12.62539 -0.000000      0.000000 
1 1 1 0  27 20 o 139.8538 4.337790 196.8788       12.10744      196.8788       12.10744      196.8788       12.10744      139.8538 4.337790 139.8538 4.337790 0.000000       0.000000 
1 1 1 0  27 21 o 51.58442 11.84653 31.14354       10.62678      31.14354       10.62678      31.14354       10.62678      51.58442 11.84653 51.58442 11.84653 0.000000       0.000000 
1 1 1 0  27 22 o 24.36718 14.03246 8.458915       10.77555      8.458915       10.77555      8.458915       10.77555      24.36718 14.03246 24.36718 14.03246 -0.000000      0.000000 
1 1 1 0  27 23 o 74.72794 6.606338 57.78841       9.727042      57.78841       9.727042      57.78841       9.727042      74.72794 6.606338 74.72794 6.606338 -0.000000      0.000000 
1 1 1 0  27 24 o 156.0870 4.579292 245.8328       14.26822      245.8328       14.26822      245.8328       14.26822      156.0870 4.579292 156.0870 4.579292 -0.000000      0.000000 
1 1 1 0  27 25 o 20.65036 11.93904 5.953120       7.842561      5.953120       7.842561      5.953120       7.842561      20.65036 11.93904 20.65036 11.93904 0.000000       0.000000 
1 1 1 0  27 26 f 21.64030 12.53496 6.669365       8.671450      6.669365       8.671450      6.669365       8.671450      21.64030 12.53496 21.64030 12.53496 -0.000000      0.000000 
1 1 1 0  27 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  27 28 o 71.70766 5.855545 53.36059       8.288886      53.36059       8.288886      53.36059       8.288886      71.70766 5.855545 71.70766 5.855545 0.000000       0.000000 
1 1 1 0  27 29 o 17.59111 10.85959 3.373647       7.318307      3.373647       7.318307      3.373647       7.318307      17.59111 10.85959 17.59111 10.85959 0.000000       0.000000 
1 1 1 0  27 30 o 33.67123 12.61809 16.48567       7.899237      16.48567       7.899237      16.48567       7.899237      33.67123 12.61809 33.67123 12.61809 -0.000000      0.000000 
1 1 1 0  27 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  27 32 o 36.77917 12.05913 18.90149       7.835476      18.90149       7.835476      18.90149       7.835476      36.77917 12.05913 36.77917 12.05913 0.000000       0.000000 
1 1 1 0  27 33 o 50.21233 6.870686 27.33207       6.781301      27.33207       6.781301      27.33207       6.781301      50.21233 6.870686 50.21233 6.870686 -0.000000      0.000000 
1 1 1 0  27 34 o 8.903940 6.494990 -9.804973      5.972957      -9.804973      5.972957      -9.804973      5.972957      8.903940 6.494990 8.903940 6.494990 -0.000000      0.000000 
1 1 1 0  27 35 o 19.76460 11.30142 7.502505       6.933618      7.502505       6.933618      7.502505       6.933618      19.76460 11.30142 19.76460 11.30142 0.000000       0.000000 
1 1 1 0  28 0  o 167.7101 7.993086 284.1600       26.68029      284.1600       26.68029      284.1600       26.68029      167.7101 7.993086 167.7101 7.993086 0.000000       0.000000 
1 1 1 0  28 1  o 57.55677 8.664074 34.88417       9.514507      34.88417       9.514507      34.88417       9.514507      57.55677 8.664074 57.55677 8.664074 -0.000000      0.000000 
1 1 1 0  28 2  o 15.76987 10.52695 -2.009169      8.713958      -2.009169      8.713958      -2.009169      8.713958      15.76987 10.52695 15.76987 10.52695 0.000000       0.000000 
1 1 1 0  28 3  o 48.97590 10.69691 27.38166       9.167366      27.38166       9.167366      27.38166       9.167366      48.97590 10.69691 48.97590 10.69691 0.000000       0.000000 
1 1 1 0  28 4  o 26.99970 12.52833 10.83223       7.438744      10.83223       7.438744      10.83223       7.438744      26.99970 12.52833 26.99970 12.52833 -0.000000      0.000000 
1 1 1 0  28 5  o 135.3378 4.175564 184.0558       11.27855      184.0558       11.27855      184.0558       11.27855      135.3378 4.175564 135.3378 4.175564 -0.000000      0.000000 
1 1 1 0  28 6  o 38.53962 11.86157 18.69604       7.977167      18.69604       7.977167      18.69604       7.977167      38.53962 11.86157 38.53962 11.86157 -0.000000      0.000000 
1 1 1 0  28 7  o 42.17960 12.68340 22.25247       9.309056      22.25247       9.309056      22.25247       9.309056      42.17960 12.68340 42.17960 12.68340 -0.000000      0.000000 
1 1 1 0  28 8  o 115.8285 4.519670 135.1018       10.43549      135.1018       10.43549      135.1018       10.43549      115.8285 4.519670 115.8285 4.519670 0.000000       0.000000 
1 1 1 0  28 9  o 12.17131 8.676537 -9.925409      8.473083      -9.925409      8.473083      -9.925409      8.473083      12.17131 8.676537 12.17131 8.676537 -0.000000      0.000000 
1 1 1 0  28 10 o 18.55207 11.56870 2.717621       8.480167      2.717621       8.480167      2.717621       8.480167      18.55207 11.56870 18.55207 11.56870 -0.000000      0.000000 
1 1 1 0  28 11 o 33.34738 13.15394 15.58594       8.395153      15.58594       8.395153      15.58594       8.395153      33.34738 13.15394 33.34738 13.15394 -0.000000      0.000000 
1 1 1 0  28 12 o 22.35114 12.79792 6.804679       8.905238      6.804679       8.905238      6.804679       8.905238      22.35114 12.79792 22.35114 12.79792 0.000000       0.000000 
1 1 1 0  28 13 o 156.8799 4.515111 247.4622       14.14070      247.4622       14.14070      247.4622       14.14070      156.8799 4.515111 156.8799 4.515111 0.000000       0.000000 
1 1 1 0  28 14 o 28.75285 13.99769 12.58210       9.379901      12.58210       9.379901      12.58210       9.379901      28.75285 13.99769 28.75285 13.99769 0.000000       0.000000 
1 1 1 0  28 15 f 90.63441 5.290307 83.38477       9.521592      83.38477       9.521592      83.38477       9.521592      90.63441 5.290307 90.63441 5.290307 0.000000       0.000000 
1 1 1 0  28 16 f 119.2887 4.635734 143.4615       11.02351      143.4615       11.02351      143.4615       11.02351      119.2887 4.635734 119.2887 4.635734 0.000000       0.000000 
1 1 1 0  28 17 o 27.41019 13.21362 11.42733       8.338477      11.42733       8.338477      11.42733       8.338477      27.41019 13.21362 27.41019 13.21362 0.000000       0.000000 
1 1 1 0  28 18 o 17.01087 11.02281 0.4546843      8.600604      0.4546843      8.600604      0.4546843      8.600604      17.01087 11.02281 17.01087 11.02281 0.000000       0.000000 
1 1 1 0  28 19 o 16.55043 11.07063 -2.216037      9.755382      -2.216037      9.755382      -2.216037      9.755382      16.55043 11.07063 16.55043 11.07063 -0.000000      0.000000 
1 1 1 0  28 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  28 21 o 30.97898 14.07476 14.55868       9.365732      14.55868       9.365732      14.55868       9.365732      30.97898 14.07476 30.97898 14.07476 0.000000       0.000000 
1 1 1 0  28 22 o 13.85773 9.614532 -5.438785      8.621859      -5.438785      8.621859      -5.438785      8.621859      13.85773 9.614532 13.85773 9.614532 0.000000       0.000000 
1 1 1 0  28 23 o 176.7040 4.110421 314.4818       14.50909      314.4818       14.50909      314.4818       14.50909      176.7040 4.110421 176.7040 4.110421 -0.000000      0.000000 
1 1 1 0  28 24 o 64.25829 7.932783 44.05862       9.939578      44.05862       9.939578      44.05862       9.939578      64.25829 7.932783 64.25829 7.932783 -0.000000      0.000000 
1 1 1 0  28 25 o 58.94713 13.91297 42.30874       14.23280      42.30874       14.23280      42.30874       14.23280      58.94713 13.91297 58.94713 13.91297 -0.000000      0.000000 
1 1 1 0  28 26 o 13.99188 9.512189 -2.816096      7.715039      -2.816096      7.715039      -2.816096      7.715039      13.99188 9.512189 13.99188 9.512189 0.000000       0.000000 
1 1 1 0  28 27 o 52.46827 8.420760 30.13046       8.274716      30.13046       8.274716      30.13046       8.274716      52.46827 8.420760 52.46827 8.420760 -0.000000      0.000000 
1 1 1 0  28 28 o 85.80910 5.457262 75.94603       9.287803      75.94603       9.287803      75.94603       9.287803      85.80910 5.457262 85.80910 5.457262 0.000000       0.000000 
1 1 1 0  28 29 o 23.37539 12.57292 9.054014       8.019674      9.054014       8.019674      9.054014       8.019674      23.37539 12.57292 23.37539 12.57292 -0.000000      0.000000 
1 1 1 0  28 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  28 31 o 62.58242 7.012313 42.61337       8.586436      42.61337       8.586436      42.61337       8.586436      62.58242 7.012313 62.58242 7.012313 0.000000       0.000000 
1 1 1 0  28 32 o 25.82771 12.26873 11.44858       7.162447      11.44858       7.162447      11.44858       7.162447      25.82771 12.26873 25.82771 12.26873 -0.000000      0.000000 
1 1 1 0  28 33 o 52.90003 7.807882 31.67488       7.927575      31.67488       7.927575      31.67488       7.927575      52.90003 7.807882 52.90003 7.807882 0.000000       0.000000 
1 1 1 0  28 34 o 14.91273 9.735133 2.012003       6.864190      2.012003       6.864190      2.012003       6.864190      14.91273 9.735133 14.91273 9.735133 0.000000       0.000000 
1 1 1 0  29 1  o 26.52201 13.41010 10.62678       8.742295      10.62678       8.742295      10.62678       8.742295      26.52201 13.41010 26.52201 13.41010 0.000000       0.000000 
1 1 1 0  29 2  o 23.59144 13.05747 7.998421       8.883986      7.998421       8.883986      7.998421       8.883986      23.59144 13.05747 23.59144 13.05747 0.000000       0.000000 
1 1 1 0  29 3  o 111.8310 5.238325 126.3170       11.66112      126.3170       11.66112      126.3170       11.66112      111.8310 5.238325 111.8310 5.238325 -0.000000      0.000000 
1 1 1 0  29 4  o 38.77032 13.18727 19.73747       9.146112      19.73747       9.146112      19.73747       9.146112      38.77032 13.18727 38.77032 13.18727 -0.000000      0.000000 
1 1 1 0  29 5  o 40.45332 13.43497 21.30314       9.642029      21.30314       9.642029      21.30314       9.642029      40.45332 13.43497 40.45332 13.43497 -0.000000      0.000000 
1 1 1 0  29 6  o 11.77023 8.390223 -9.259464      7.920490      -9.259464      7.920490      -9.259464      7.920490      11.77023 8.390223 11.77023 8.390223 -0.000000      0.000000 
1 1 1 0  29 7  o 60.09370 7.224012 37.92342       8.473083      37.92342       8.473083      37.92342       8.473083      60.09370 7.224012 60.09370 7.224012 -0.000000      0.000000 
1 1 1 0  29 8  o 18.18591 11.70238 1.018754       9.443663      1.018754       9.443663      1.018754       9.443663      18.18591 11.70238 18.18591 11.70238 -0.000000      0.000000 
1 1 1 0  29 9  o 192.0328 4.563759 370.5203       17.50584      370.5203       17.50584      370.5203       17.50584      192.0328 4.563759 192.0328 4.563759 -0.000000      0.000000 
1 1 1 0  29 10 o 17.41938 11.00333 1.783882       7.977167      1.783882       7.977167      1.783882       7.977167      17.41938 11.00333 17.41938 11.00333 0.000000       0.000000 
1 1 1 0  29 11 o 27.65188 13.10570 11.52651       8.168448      11.52651       8.168448      11.52651       8.168448      27.65188 13.10570 27.65188 13.10570 0.000000       0.000000 
1 1 1 0  29 12 o 106.5497 4.973400 114.7692       10.54885      114.7692       10.54885      114.7692       10.54885      106.5497 4.973400 106.5497 4.973400 0.000000       0.000000 
1 1 1 0  29 13 o 62.40422 7.865983 41.16105       9.564099      41.16105       9.564099      41.16105       9.564099      62.40422 7.865983 62.40422 7.865983 0.000000       0.000000 
1 1 1 0  29 14 o 83.74476 6.227184 71.76617       10.31506      71.76617       10.31506      71.76617       10.31506      83.74476 6.227184 83.74476 6.227184 0.000000       0.000000 
1 1 1 0  29 15 o 18.27445 11.59543 1.883773       8.947746      1.883773       8.947746      1.883773       8.947746      18.27445 11.59543 18.27445 11.59543 0.000000       0.000000 
1 1 1 0  29 16 o 83.16675 7.110394 71.34109       11.66112      71.34109       11.66112      71.34109       11.66112      83.16675 7.110394 83.16675 7.110394 0.000000       0.000000 
1 1 1 0  29 17 o 65.03904 9.693597 44.95126       12.06493      44.95126       12.06493      44.95126       12.06493      65.03904 9.693597 65.03904 9.693597 -0.000000      0.000000 
1 1 1 0  29 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  29 19 f 55.80109 10.43440 34.81332       10.49217      34.81332       10.49217      34.81332       10.49217      55.80109 10.43440 55.80109 10.43440 -0.000000      0.000000 
1 1 1 0  29 20 o 134.7471 4.614918 183.2765       12.40499      183.2765       12.40499      183.2765       12.40499      134.7471 4.614918 134.7471 4.614918 -0.000000      0.000000 
1 1 1 0  29 21 o 12.67136 8.949342 -8.055097      8.451830      -8.055097      8.451830      -8.055097      8.451830      12.67136 8.949342 12.67136 8.949342 0.000000       0.000000 
1 1 1 0  29 22 o 16.47524 10.78890 0.1047800E-01  8.508506      0.1047800E-01  8.508506      0.1047800E-01  8.508506      16.47524 10.78890 16.47524 10.78890 0.000000       0.000000 
1 1 1 0  29 23 o 102.0643 5.065887 105.9844       10.28672      105.9844       10.28672      105.9844       10.28672      102.0643 5.065887 102.0643 5.065887 0.000000       0.000000 
1 1 1 0  29 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  29 25 o 24.81108 12.71031 9.826226       7.913406      9.826226       7.913406      9.826226       7.913406      24.81108 12.71031 24.81108 12.71031 -0.000000      0.000000 
1 1 1 0  29 26 o 35.06834 12.55780 17.18704       8.026759      17.18704       8.026759      17.18704       8.026759      35.06834 12.55780 35.06834 12.55780 -0.000000      0.000000 
1 1 1 0  29 27 o 11.36100 8.151255 -9.280719      7.821308      -9.280719      7.821308      -9.280719      7.821308      11.36100 8.151255 11.36100 8.151255 -0.000000      0.000000 
1 1 1 0  29 28 o 12.86609 9.038561 -6.581517      8.380984      -6.581517      8.380984      -6.581517      8.380984      12.86609 9.038561 12.86609 9.038561 0.000000       0.000000 
1 1 1 0  29 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  29 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  29 31 o 27.36473 12.96359 13.09219       7.991336      13.09219       7.991336      13.09219       7.991336      27.36473 12.96359 27.36473 12.96359 -0.000000      0.000000 
1 1 1 0  29 32 o 29.30753 11.84577 13.82898       6.752253      13.82898       6.752253      13.82898       6.752253      29.30753 11.84577 29.30753 11.84577 -0.000000      0.000000 
1 1 1 0  29 33 o 12.62065 8.535964 -0.6175575     6.104020      -0.6175575     6.104020      -0.6175575     6.104020      12.62065 8.535964 12.62065 8.535964 0.000000       0.000000 
1 1 1 0  30 0  o 69.06916 9.326419 49.13822       12.71671      49.13822       12.71671      49.13822       12.71671      69.06916 9.326419 69.06916 9.326419 0.000000       0.000000 
1 1 1 0  30 1  o 15.73215 10.42905 -1.198700      8.267632      -1.198700      8.267632      -1.198700      8.267632      15.73215 10.42905 15.73215 10.42905 -0.000000      0.000000 
1 1 1 0  30 2  o 104.8170 4.837835 110.9436       10.09544      110.9436       10.09544      110.9436       10.09544      104.8170 4.837835 104.8170 4.837835 -0.000000      0.000000 
1 1 1 0  30 3  o 18.29240 11.32828 2.891901       8.012589      2.891901       8.012589      2.891901       8.012589      18.29240 11.32828 18.29240 11.32828 -0.000000      0.000000 
1 1 1 0  30 4  o 153.8575 4.136942 237.8272       12.70963      237.8272       12.70963      237.8272       12.70963      153.8575 4.136942 153.8575 4.136942 0.000000       0.000000 
1 1 1 0  30 5  o 13.62226 9.424172 -5.168864      8.189702      -5.168864      8.189702      -5.168864      8.189702      13.62226 9.424172 13.62226 9.424172 0.000000       0.000000 
1 1 1 0  30 6  o 73.40588 7.160710 55.81892       10.32923      55.81892       10.32923      55.81892       10.32923      73.40588 7.160710 73.40588 7.160710 -0.000000      0.000000 
1 1 1 0  30 7  o 62.24290 8.295731 39.99919       10.23713      39.99919       10.23713      39.99919       10.23713      62.24290 8.295731 62.24290 8.295731 -0.000000      0.000000 
1 1 1 0  30 8  o 28.59622 14.34586 12.53251       9.967916      12.53251       9.967916      12.53251       9.967916      28.59622 14.34586 28.59622 14.34586 -0.000000      0.000000 
1 1 1 0  30 9  o 124.5450 5.400192 156.7804       13.39682      156.7804       13.39682      156.7804       13.39682      124.5450 5.400192 124.5450 5.400192 -0.000000      0.000000 
1 1 1 0  30 10 o 138.1697 4.440152 192.1321       12.24205      192.1321       12.24205      192.1321       12.24205      138.1697 4.440152 138.1697 4.440152 -0.000000      0.000000 
1 1 1 0  30 11 o 61.33522 7.594932 39.69455       9.082352      39.69455       9.082352      39.69455       9.082352      61.33522 7.594932 61.33522 7.594932 -0.000000      0.000000 
1 1 1 0  30 12 o 41.66453 12.46624 21.82740       9.032760      21.82740       9.032760      21.82740       9.032760      41.66453 12.46624 41.66453 12.46624 -0.000000      0.000000 
1 1 1 0  30 13 o 46.75364 11.49074 25.86557       9.294888      25.86557       9.294888      25.86557       9.294888      46.75364 11.49074 46.75364 11.49074 -0.000000      0.000000 
1 1 1 0  30 14 o 141.5437 4.600421 201.8379       12.99301      201.8379       12.99301      201.8379       12.99301      141.5437 4.600421 141.5437 4.600421 -0.000000      0.000000 
1 1 1 0  30 15 o 19.77991 12.62936 2.078598       10.76138      2.078598       10.76138      2.078598       10.76138      19.77991 12.62936 19.77991 12.62936 -0.000000      0.000000 
1 1 1 0  30 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  30 17 o 44.83548 13.63867 25.73097       10.65512      25.73097       10.65512      25.73097       10.65512      44.83548 13.63867 44.83548 13.63867 0.000000       0.000000 
1 1 1 0  30 18 o 25.09838 13.87321 9.486169       10.01042      9.486169       10.01042      9.486169       10.01042      25.09838 13.87321 25.09838 13.87321 -0.000000      0.000000 
1 1 1 0  30 19 o 11.45195 8.360321 -18.15053      9.953747      -18.15053      9.953747      -18.15053      9.953747      11.45195 8.360321 11.45195 8.360321 0.000000       0.000000 
1 1 1 0  30 20 o 50.61427 11.44693 30.08795       10.08835      30.08795       10.08835      30.08795       10.08835      50.61427 11.44693 50.61427 11.44693 -0.000000      0.000000 
1 1 1 0  30 21 o 29.39766 13.98916 13.54560       9.316141      13.54560       9.316141      13.54560       9.316141      29.39766 13.98916 29.39766 13.98916 0.000000       0.000000 
1 1 1 0  30 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  30 23 o 13.02794 9.107285 -6.343478      8.303054      -6.343478      8.303054      -6.343478      8.303054      13.02794 9.107285 13.02794 9.107285 -0.000000      0.000000 
1 1 1 0  30 24 o 18.01970 11.18383 3.356645       7.842561      3.356645       7.842561      3.356645       7.842561      18.01970 11.18383 18.01970 11.18383 0.000000       0.000000 
1 1 1 0  30 25 o 67.16270 7.604227 48.33767       9.989170      48.33767       9.989170      48.33767       9.989170      67.16270 7.604227 67.16270 7.604227 -0.000000      0.000000 
1 1 1 0  30 26 o 15.04867 10.24305 -2.648901      8.983169      -2.648901      8.983169      -2.648901      8.983169      15.04867 10.24305 15.04867 10.24305 0.000000       0.000000 
1 1 1 0  30 27 o 52.01341 11.85921 33.48143       10.73304      33.48143       10.73304      33.48143       10.73304      52.01341 11.85921 52.01341 11.85921 -0.000000      0.000000 
1 1 1 0  30 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  30 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  30 30 o 54.19634 6.913602 31.72447       7.537927      31.72447       7.537927      31.72447       7.537927      54.19634 6.913602 54.19634 6.913602 0.000000       0.000000 
1 1 1 0  30 31 o 10.93347 7.774946 -5.755462      6.685660      -5.755462      6.685660      -5.755462      6.685660      10.93347 7.774946 10.93347 7.774946 0.000000       0.000000 
1 1 1 0  30 32 f 20.71277 11.29711 8.295970       6.548220      8.295970       6.548220      8.295970       6.548220      20.71277 11.29711 20.71277 11.29711 0.000000       0.000000 
1 1 1 0  31 1  f 26.09820 13.11644 10.37882       8.338477      10.37882       8.338477      10.37882       8.338477      26.09820 13.11644 26.09820 13.11644 0.000000       0.000000 
1 1 1 0  31 2  o 87.13458 5.779837 77.36294       9.982086      77.36294       9.982086      77.36294       9.982086      87.13458 5.779837 87.13458 5.779837 0.000000       0.000000 
1 1 1 0  31 3  o 117.1205 4.704366 138.3606       10.98100      138.3606       10.98100      138.3606       10.98100      117.1205 4.704366 117.1205 4.704366 -0.000000      0.000000 
1 1 1 0  31 4  o 71.18507 6.625861 52.34750       9.280719      52.34750       9.280719      52.34750       9.280719      71.18507 6.625861 71.18507 6.625861 0.000000       0.000000 
1 1 1 0  31 5  o 98.54514 5.294644 98.40395       10.37173      98.40395       10.37173      98.40395       10.37173      98.54514 5.294644 98.54514 5.294644 -0.000000      0.000000 
1 1 1 0  31 6  o 86.01574 6.018423 75.52096       10.25130      75.52096       10.25130      75.52096       10.25130      86.01574 6.018423 86.01574 6.018423 -0.000000      0.000000 
1 1 1 0  31 7  o 92.68214 5.931853 87.49380       10.90307      87.49380       10.90307      87.49380       10.90307      92.68214 5.931853 92.68214 5.931853 -0.000000      0.000000 
1 1 1 0  31 8  o 14.20504 9.970156 -8.855647      10.15211      -8.855647      10.15211      -8.855647      10.15211      14.20504 9.970156 14.20504 9.970156 0.000000       0.000000 
1 1 1 0  31 9  o 14.12214 9.818604 -6.757921      9.301972      -6.757921      9.301972      -6.757921      9.301972      14.12214 9.818604 14.12214 9.818604 -0.000000      0.000000 
1 1 1 0  31 10 o 117.3293 6.219974 139.8484       14.50909      139.8484       14.50909      139.8484       14.50909      117.3293 6.219974 117.3293 6.219974 0.000000       0.000000 
1 1 1 0  31 11 o 16.74327 11.47252 -5.668323      11.61152      -5.668323      11.61152      -5.668323      11.61152      16.74327 11.47252 16.74327 11.47252 -0.000000      0.000000 
1 1 1 0  31 12 o 59.00368 13.12805 40.62263       13.51726      40.62263       13.51726      40.62263       13.51726      59.00368 13.12805 59.00368 13.12805 -0.000000      0.000000 
1 1 1 0  31 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  31 14 o 54.53006 12.37459 34.91959       11.74613      34.91959       11.74613      34.91959       11.74613      54.53006 12.37459 54.53006 12.37459 -0.000000      0.000000 
1 1 1 0  31 15 f 120.7640 5.200850 147.7122       12.51126      147.7122       12.51126      147.7122       12.51126      120.7640 5.200850 120.7640 5.200850 0.000000       0.000000 
1 1 1 0  31 16 o 20.64916 12.35905 5.192243       8.891070      5.192243       8.891070      5.192243       8.891070      20.64916 12.35905 20.64916 12.35905 0.000000       0.000000 
1 1 1 0  31 17 o 15.96954 10.68833 -1.991458      9.124859      -1.991458      9.124859      -1.991458      9.124859      15.96954 10.68833 15.96954 10.68833 -0.000000      0.000000 
1 1 1 0  31 18 o 110.7860 5.220554 124.6875       11.51234      124.6875       11.51234      124.6875       11.51234      110.7860 5.220554 110.7860 5.220554 0.000000       0.000000 
1 1 1 0  31 19 o 18.84305 11.75600 3.234791       8.770633      3.234791       8.770633      3.234791       8.770633      18.84305 11.75600 18.84305 11.75600 -0.000000      0.000000 
1 1 1 0  31 20 o 68.45758 7.680234 49.78291       10.28672      49.78291       10.28672      49.78291       10.28672      68.45758 7.680234 68.45758 7.680234 -0.000000      0.000000 
1 1 1 0  31 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  31 22 o 15.37084 10.73435 -8.111773      11.47692      -8.111773      11.47692      -8.111773      11.47692      15.37084 10.73435 15.37084 10.73435 0.000000       0.000000 
1 1 1 0  31 23 o 55.59225 12.17431 37.02369       11.83823      37.02369       11.83823      37.02369       11.83823      55.59225 12.17431 55.59225 12.17431 -0.000000      0.000000 
1 1 1 0  31 24 o 21.35251 13.35464 5.417531       11.40607      5.417531       11.40607      5.417531       11.40607      21.35251 13.35464 21.35251 13.35464 -0.000000      0.000000 
1 1 1 0  31 25 o 55.73553 10.93095 36.47818       10.86765      36.47818       10.86765      36.47818       10.86765      55.73553 10.93095 55.73553 10.93095 0.000000       0.000000 
1 1 1 0  31 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  31 27 o 91.71674 8.099211 91.95705       14.63661      91.95705       14.63661      91.95705       14.63661      91.71674 8.099211 91.71674 8.099211 -0.000000      0.000000 
1 1 1 0  31 28 o 62.33138 6.916299 42.61337       8.437660      42.61337       8.437660      42.61337       8.437660      62.33138 6.916299 62.33138 6.916299 0.000000       0.000000 
1 1 1 0  31 29 o 22.19720 11.94434 9.061099       7.240376      9.061099       7.240376      9.061099       7.240376      22.19720 11.94434 22.19720 11.94434 0.000000       0.000000 
1 1 1 0  31 30 o 21.57140 11.65278 8.834394       6.913073      8.834394       6.913073      8.834394       6.913073      21.57140 11.65278 21.57140 11.65278 -0.000000      0.000000 
1 1 1 0  31 31 o 15.47679 10.04903 2.752335       7.197870      2.752335       7.197870      2.752335       7.197870      15.47679 10.04903 15.47679 10.04903 0.000000       0.000000 
1 1 1 0  32 0  o 24.43308 14.76221 6.495794       12.92216      6.495794       12.92216      6.495794       12.92216      24.43308 14.76221 24.43308 14.76221 0.000000       0.000000 
1 1 1 0  32 1  o 63.80237 8.035288 43.10929       9.989170      43.10929       9.989170      43.10929       9.989170      63.80237 8.035288 63.80237 8.035288 0.000000       0.000000 
1 1 1 0  32 2  o 16.80435 10.97848 -0.1032214     8.749379      -0.1032214     8.749379      -0.1032214     8.749379      16.80435 10.97848 16.80435 10.97848 0.000000       0.000000 
1 1 1 0  32 3  o 58.01448 8.874935 35.76973       9.776634      35.76973       9.776634      35.76973       9.776634      58.01448 8.874935 58.01448 8.874935 0.000000       0.000000 
1 1 1 0  32 4  o 19.98343 12.28916 3.869564       9.301972      3.869564       9.301972      3.869564       9.301972      19.98343 12.28916 19.98343 12.28916 -0.000000      0.000000 
1 1 1 0  32 5  o 24.97913 14.34918 8.685618       11.23604      8.685618       11.23604      8.685618       11.23604      24.97913 14.34918 24.97913 14.34918 0.000000       0.000000 
1 1 1 0  32 6  o 85.73792 6.746110 75.52096       11.42733      75.52096       11.42733      75.52096       11.42733      85.73792 6.746110 85.73792 6.746110 -0.000000      0.000000 
1 1 1 0  32 7  o 80.58025 7.492947 67.34542       11.88074      67.34542       11.88074      67.34542       11.88074      80.58025 7.492947 80.58025 7.492947 -0.000000      0.000000 
1 1 1 0  32 8  o 115.1521 6.071074 134.8184       13.89982      134.8184       13.89982      134.8184       13.89982      115.1521 6.071074 115.1521 6.071074 0.000000       0.000000 
1 1 1 0  32 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  32 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  32 11 o 77.72049 8.149282 63.46310       12.41916      63.46310       12.41916      63.46310       12.41916      77.72049 8.149282 77.72049 8.149282 0.000000       0.000000 
1 1 1 0  32 12 o 48.20137 12.61487 28.23889       10.48509      28.23889       10.48509      28.23889       10.48509      48.20137 12.61487 48.20137 12.61487 0.000000       0.000000 
1 1 1 0  32 13 o 15.32340 10.47805 -4.349894      9.578268      -4.349894      9.578268      -4.349894      9.578268      15.32340 10.47805 15.32340 10.47805 0.000000       0.000000 
1 1 1 0  32 14 o 46.08754 13.96307 27.26831       11.20771      27.26831       11.20771      27.26831       11.20771      46.08754 13.96307 46.08754 13.96307 -0.000000      0.000000 
1 1 1 0  32 15 o 16.20292 10.98823 -3.589017      10.20879      -3.589017      10.20879      -3.589017      10.20879      16.20292 10.98823 16.20292 10.98823 -0.000000      0.000000 
1 1 1 0  32 16 o 122.7010 5.707879 153.2381       13.94233      153.2381       13.94233      153.2381       13.94233      122.7010 5.707879 122.7010 5.707879 -0.000000      0.000000 
1 1 1 0  32 17 o 23.34876 13.98297 7.141194       11.39190      7.141194       11.39190      7.141194       11.39190      23.34876 13.98297 23.34876 13.98297 0.000000       0.000000 
1 1 1 0  32 18 o 33.93970 17.34743 19.41866       14.72163      19.41866       14.72163      19.41866       14.72163      33.93970 17.34743 33.93970 17.34743 -0.000000      0.000000 
1 1 1 0  32 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  32 20 o 68.94264 8.030468 50.88810       10.81806      50.88810       10.81806      50.88810       10.81806      68.94264 8.030468 68.94264 8.030468 0.000000       0.000000 
1 1 1 0  32 21 o 27.95820 14.14719 12.91508       9.734127      12.91508       9.734127      12.91508       9.734127      27.95820 14.14719 27.95820 14.14719 0.000000       0.000000 
1 1 1 0  32 22 o 13.73729 9.524388 -4.597852      8.437660      -4.597852      8.437660      -4.597852      8.437660      13.73729 9.524388 13.73729 9.524388 0.000000       0.000000 
1 1 1 0  32 23 f 21.55618 12.48481 7.297054       8.600604      7.297054       8.600604      7.297054       8.600604      21.55618 12.48481 21.55618 12.48481 0.000000       0.000000 
1 1 1 0  32 24 o 33.67764 14.63399 18.70313       10.12378      18.70313       10.12378      18.70313       10.12378      33.67764 14.63399 33.67764 14.63399 -0.000000      0.000000 
1 1 1 0  32 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  32 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  32 27 o 17.75300 11.75359 1.794508       10.45675      1.794508       10.45675      1.794508       10.45675      17.75300 11.75359 17.75300 11.75359 -0.000000      0.000000 
1 1 1 0  32 28 o 12.84296 8.991474 -4.565263      8.154280      -4.565263      8.154280      -4.565263      8.154280      12.84296 8.991474 12.84296 8.991474 -0.000000      0.000000 
1 1 1 0  32 29 o 20.55130 11.93713 8.288886       7.899237      8.288886       7.899237      8.288886       7.899237      20.55130 11.93713 20.55130 11.93713 -0.000000      0.000000 
1 1 1 0  32 30 o 15.62891 9.929550 3.569888       6.580100      3.569888       6.580100      3.569888       6.580100      15.62891 9.929550 15.62891 9.929550 -0.000000      0.000000 
1 1 1 0  33 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  33 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  33 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  33 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  33 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  33 6  o 80.33387 8.331066 67.82008       13.12761      67.82008       13.12761      67.82008       13.12761      80.33387 8.331066 80.33387 8.331066 0.000000       0.000000 
1 1 1 0  33 7  o 28.74324 15.60156 12.84423       12.44041      12.84423       12.44041      12.84423       12.44041      28.74324 15.60156 28.74324 15.60156 0.000000       0.000000 
1 1 1 0  33 8  o 68.11178 8.661764 49.50661       11.49109      49.50661       11.49109      49.50661       11.49109      68.11178 8.661764 68.11178 8.661764 -0.000000      0.000000 
1 1 1 0  33 9  f 12.33452 8.910095 -14.51618      9.989170      -14.51618      9.989170      -14.51618      9.989170      12.33452 8.910095 12.33452 8.910095 0.000000       0.000000 
1 1 1 0  33 10 o 49.31949 12.04138 29.01818       10.27963      29.01818       10.27963      29.01818       10.27963      49.31949 12.04138 49.31949 12.04138 -0.000000      0.000000 
1 1 1 0  33 11 o 55.51171 10.56500 34.67871       10.52759      34.67871       10.52759      34.67871       10.52759      55.51171 10.56500 55.51171 10.56500 0.000000       0.000000 
1 1 1 0  33 12 o 43.53505 12.70260 23.95275       9.592437      23.95275       9.592437      23.95275       9.592437      43.53505 12.70260 43.53505 12.70260 -0.000000      0.000000 
1 1 1 0  33 13 o 20.14833 12.26871 4.587225       9.082352      4.587225       9.082352      4.587225       9.082352      20.14833 12.26871 20.14833 12.26871 0.000000       0.000000 
1 1 1 0  33 14 o 12.73272 9.105705 -11.22896      9.542846      -11.22896      9.542846      -11.22896      9.542846      12.73272 9.105705 12.73272 9.105705 0.000000       0.000000 
1 1 1 0  33 15 o 35.41334 14.98214 18.93692       10.66928      18.93692       10.66928      18.93692       10.66928      35.41334 14.98214 35.41334 14.98214 0.000000       0.000000 
1 1 1 0  33 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  33 17 o 17.62090 11.64924 -0.2643234     10.22296      -0.2643234     10.22296      -0.2643234     10.22296      17.62090 11.64924 17.62090 11.64924 -0.000000      0.000000 
1 1 1 0  33 18 o 38.53190 13.60748 20.66554       9.507423      20.66554       9.507423      20.66554       9.507423      38.53190 13.60748 38.53190 13.60748 -0.000000      0.000000 
1 1 1 0  33 19 o 23.27364 13.63531 8.118857       10.44966      8.118857       10.44966      8.118857       10.44966      23.27364 13.63531 23.27364 13.63531 -0.000000      0.000000 
1 1 1 0  33 20 o 55.28313 11.86838 36.61987       11.51234      36.61987       11.51234      36.61987       11.51234      55.28313 11.86838 55.28313 11.86838 -0.000000      0.000000 
1 1 1 0  33 21 f 19.17606 12.42623 2.453368       10.93141      2.453368       10.93141      2.453368       10.93141      19.17606 12.42623 19.17606 12.42623 -0.000000      0.000000 
1 1 1 0  33 22 o 25.14857 14.53774 10.61969       11.62569      10.61969       11.62569      10.61969       11.62569      25.14857 14.53774 25.14857 14.53774 -0.000000      0.000000 
1 1 1 0  33 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  33 24 o 19.72446 12.44596 4.821014       10.18045      4.821014       10.18045      4.821014       10.18045      19.72446 12.44596 19.72446 12.44596 -0.000000      0.000000 
1 1 1 0  33 25 o 12.21651 8.809641 -10.94558      9.549930      -10.94558      9.549930      -10.94558      9.549930      12.21651 8.809641 12.21651 8.809641 -0.000000      0.000000 
1 1 1 0  33 26 o 16.84403 10.84456 3.003127       8.125941      3.003127       8.125941      3.003127       8.125941      16.84403 10.84456 16.84403 10.84456 -0.000000      0.000000 
1 1 1 0  33 27 o 13.46329 9.094035 -0.6532634     6.893944      -0.6532634     6.893944      -0.6532634     6.893944      13.46329 9.094035 13.46329 9.094035 -0.000000      0.000000 
1 1 1 0  33 28 f 17.36961 10.93198 4.818181       7.792970      4.818181       7.792970      4.818181       7.792970      17.36961 10.93198 17.36961 10.93198 -0.000000      0.000000 
1 1 1 0  34 0  o 35.55859 17.00698 19.29114       13.78647      19.29114       13.78647      19.29114       13.78647      35.55859 17.00698 35.55859 17.00698 -0.000000      0.000000 
1 1 1 0  34 1  o 14.45652 10.04245 -6.332850      9.549930      -6.332850      9.549930      -6.332850      9.549930      14.45652 10.04245 14.45652 10.04245 0.000000       0.000000 
1 1 1 0  34 2  o 50.82682 12.01686 30.54844       10.59844      30.54844       10.59844      30.54844       10.59844      50.82682 12.01686 50.82682 12.01686 -0.000000      0.000000 
1 1 1 0  34 3  o 20.55389 12.67887 4.215288       9.960832      4.215288       9.960832      4.215288       9.960832      20.55389 12.67887 20.55389 12.67887 -0.000000      0.000000 
1 1 1 0  34 4  o 24.75918 13.73541 9.202788       9.861650      9.202788       9.861650      9.202788       9.861650      24.75918 13.73541 24.75918 13.73541 -0.000000      0.000000 
1 1 1 0  34 5  o 125.8816 5.034764 160.3935       12.63170      160.3935       12.63170      160.3935       12.63170      125.8816 5.034764 125.8816 5.034764 0.000000       0.000000 
1 1 1 0  34 6  o 63.04704 8.998068 42.04661       11.00226      42.04661       11.00226      42.04661       11.00226      63.04704 8.998068 63.04704 8.998068 0.000000       0.000000 
1 1 1 0  34 7  o 80.52561 7.968035 67.99012       12.60336      67.99012       12.60336      67.99012       12.60336      80.52561 7.968035 80.52561 7.968035 -0.000000      0.000000 
1 1 1 0  34 8  o 23.46340 13.44958 7.955913       9.847479      7.955913       9.847479      7.955913       9.847479      23.46340 13.44958 23.46340 13.44958 -0.000000      0.000000 
1 1 1 0  34 9  o 129.8086 5.051321 170.7369       13.07094      170.7369       13.07094      170.7369       13.07094      129.8086 5.051321 129.8086 5.051321 0.000000       0.000000 
1 1 1 0  34 10 o 24.18816 13.51820 8.855647       9.649114      8.855647       9.649114      8.855647       9.649114      24.18816 13.51820 24.18816 13.51820 -0.000000      0.000000 
1 1 1 0  34 11 o 28.80161 14.78803 13.29764       10.72596      13.29764       10.72596      13.29764       10.72596      28.80161 14.78803 28.80161 14.78803 -0.000000      0.000000 
1 1 1 0  34 12 o 48.75640 13.00362 29.51410       10.93141      29.51410       10.93141      29.51410       10.93141      48.75640 13.00362 48.75640 13.00362 0.000000       0.000000 
1 1 1 0  34 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  34 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  34 15 o 25.77610 13.62357 10.69762       9.287803      10.69762       9.287803      10.69762       9.287803      25.77610 13.62357 25.77610 13.62357 0.000000       0.000000 
1 1 1 0  34 16 o 57.41368 9.181922 36.24440       9.882903      36.24440       9.882903      36.24440       9.882903      57.41368 9.181922 57.41368 9.181922 0.000000       0.000000 
1 1 1 0  34 17 o 26.98837 13.54727 11.91616       8.891070      11.91616       8.891070      11.91616       8.891070      26.98837 13.54727 26.98837 13.54727 -0.000000      0.000000 
1 1 1 0  34 18 o 35.82076 14.34739 19.50368       9.932493      19.50368       9.932493      19.50368       9.932493      35.82076 14.34739 35.82076 14.34739 -0.000000      0.000000 
1 1 1 0  34 19 o 17.34710 11.27331 1.487040       9.082352      1.487040       9.082352      1.487040       9.082352      17.34710 11.27331 17.34710 11.27331 -0.000000      0.000000 
1 1 1 0  34 20 o 57.20385 12.68302 40.22589       12.66712      40.22589       12.66712      40.22589       12.66712      57.20385 12.68302 57.20385 12.68302 0.000000       0.000000 
1 1 1 0  34 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  34 22 o 29.16120 15.12151 15.98976       11.27855      15.98976       11.27855      15.98976       11.27855      29.16120 15.12151 29.16120 15.12151 0.000000       0.000000 
1 1 1 0  34 23 f 20.62124 13.44012 5.290009       13.02134      5.290009       13.02134      5.290009       13.02134      20.62124 13.44012 20.62124 13.44012 -0.000000      0.000000 
1 1 1 0  34 24 o 14.42718 10.01843 -3.670489      9.429493      -3.670489      9.429493      -3.670489      9.429493      14.42718 10.01843 14.42718 10.01843 -0.000000      0.000000 
1 1 1 0  34 25 o 17.80151 11.51920 3.754794       9.344479      3.754794       9.344479      3.754794       9.344479      17.80151 11.51920 17.80151 11.51920 -0.000000      0.000000 
1 1 1 0  34 26 f 13.77820 9.260546 -0.5513172E-02 6.990294      -0.5513172E-02 6.990294      -0.5513172E-02 6.990294      13.77820 9.260546 13.77820 9.260546 0.000000       0.000000 
1 1 1 0  34 27 o 42.37324 9.927669 23.68354       7.304138      23.68354       7.304138      23.68354       7.304138      42.37324 9.927669 42.37324 9.927669 0.000000       0.000000 
1 1 1 0  35 1  o 31.94599 15.76777 16.33690       11.96575      16.33690       11.96575      16.33690       11.96575      31.94599 15.76777 31.94599 15.76777 0.000000       0.000000 
1 1 1 0  35 2  o 15.46153 10.48376 -3.266671      9.287803      -3.266671      9.287803      -3.266671      9.287803      15.46153 10.48376 15.46153 10.48376 0.000000       0.000000 
1 1 1 0  35 3  o 21.87577 13.08929 6.091977       9.967916      6.091977       9.967916      6.091977       9.967916      21.87577 13.08929 21.87577 13.08929 -0.000000      0.000000 
1 1 1 0  35 4  o 33.42799 17.78329 18.47642       15.90474      18.47642       15.90474      18.47642       15.90474      33.42799 17.78329 33.42799 17.78329 -0.000000      0.000000 
1 1 1 0  35 5  o 123.3047 5.219916 154.3716       12.82298      154.3716       12.82298      154.3716       12.82298      123.3047 5.219916 123.3047 5.219916 -0.000000      0.000000 
1 1 1 0  35 6  o 15.07356 10.45454 -6.030342      10.18045      -6.030342      10.18045      -6.030342      10.18045      15.07356 10.45454 15.07356 10.45454 0.000000       0.000000 
1 1 1 0  35 7  o 56.89529 12.33982 38.07928       12.29872      38.07928       12.29872      38.07928       12.29872      56.89529 12.33982 56.89529 12.33982 0.000000       0.000000 
1 1 1 0  35 8  o 48.32200 14.63163 30.56261       12.31289      30.56261       12.31289      30.56261       12.31289      48.32200 14.63163 48.32200 14.63163 -0.000000      0.000000 
1 1 1 0  35 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  35 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  35 11 o 66.87994 8.561040 46.96327       11.50526      46.96327       11.50526      46.96327       11.50526      66.87994 8.561040 66.87994 8.561040 -0.000000      0.000000 
1 1 1 0  35 12 o 51.77431 10.68138 31.11520       9.769550      31.11520       9.769550      31.11520       9.769550      51.77431 10.68138 51.77431 10.68138 0.000000       0.000000 
1 1 1 0  35 13 o 13.46311 9.391483 -6.254212      8.735210      -6.254212      8.735210      -6.254212      8.735210      13.46311 9.391483 13.46311 9.391483 0.000000       0.000000 
1 1 1 0  35 14 o 20.75361 12.55031 5.625107       9.358648      5.625107       9.358648      5.625107       9.358648      20.75361 12.55031 20.75361 12.55031 0.000000       0.000000 
1 1 1 0  35 15 o 18.87386 11.89894 3.290758       9.280719      3.290758       9.280719      3.290758       9.280719      18.87386 11.89894 18.87386 11.89894 -0.000000      0.000000 
1 1 1 0  35 16 o 62.50443 8.039855 42.81174       9.783719      42.81174       9.783719      42.81174       9.783719      62.50443 8.039855 62.50443 8.039855 -0.000000      0.000000 
1 1 1 0  35 17 o 22.15994 13.55164 6.820973       11.18645      6.820973       11.18645      6.820973       11.18645      22.15994 13.55164 22.15994 13.55164 0.000000       0.000000 
1 1 1 0  35 18 o 19.51404 12.87084 2.069388       12.38374      2.069388       12.38374      2.069388       12.38374      19.51404 12.87084 19.51404 12.87084 -0.000000      0.000000 
1 1 1 0  35 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  35 20 o 13.79173 9.687453 -6.478791      9.620775      -6.478791      9.620775      -6.478791      9.620775      13.79173 9.687453 13.79173 9.687453 0.000000       0.000000 
1 1 1 0  35 21 o 18.29320 11.73992 3.924823       9.408240      3.924823       9.408240      3.924823       9.408240      18.29320 11.73992 18.29320 11.73992 -0.000000      0.000000 
1 1 1 0  35 22 o 18.45187 11.41489 4.921615       8.118857      4.921615       8.118857      4.921615       8.118857      18.45187 11.41489 18.45187 11.41489 0.000000       0.000000 
1 1 1 0  35 23 o 24.92709 12.59002 11.53359       7.700871      11.53359       7.700871      11.53359       7.700871      24.92709 12.59002 24.92709 12.59002 -0.000000      0.000000 
1 1 1 0  35 24 o 40.96669 10.73119 22.54293       7.580434      22.54293       7.580434      22.54293       7.580434      40.96669 10.73119 40.96669 10.73119 0.000000       0.000000 
1 1 1 0  35 25 o 21.82554 11.86138 9.528677       7.197870      9.528677       7.197870      9.528677       7.197870      21.82554 11.86138 21.82554 11.86138 -0.000000      0.000000 
1 1 1 0  36 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  36 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  36 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  36 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  36 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  36 5  o 18.76694 12.45831 -0.4585100     11.85240      -0.4585100     11.85240      -0.4585100     11.85240      18.76694 12.45831 18.76694 12.45831 0.000000       0.000000 
1 1 1 0  36 6  o 37.70646 16.19884 22.13912       12.43333      22.13912       12.43333      22.13912       12.43333      37.70646 16.19884 37.70646 16.19884 -0.000000      0.000000 
1 1 1 0  36 7  f 24.13041 13.61534 9.018591       9.911241      9.018591       9.911241      9.018591       9.911241      24.13041 13.61534 24.13041 13.61534 -0.000000      0.000000 
1 1 1 0  36 8  o 91.31406 6.537811 86.43112       11.81698      86.43112       11.81698      86.43112       11.81698      91.31406 6.537811 91.31406 6.537811 0.000000       0.000000 
1 1 1 0  36 9  o 13.80053 9.716411 -8.154280      9.790804      -8.154280      9.790804      -8.154280      9.790804      13.80053 9.716411 13.80053 9.716411 0.000000       0.000000 
1 1 1 0  36 10 o 60.02785 9.055532 39.24114       10.36465      39.24114       10.36465      39.24114       10.36465      60.02785 9.055532 60.02785 9.055532 0.000000       0.000000 
1 1 1 0  36 11 o 47.92675 12.25479 28.52935       10.13795      28.52935       10.13795      28.52935       10.13795      47.92675 12.25479 47.92675 12.25479 -0.000000      0.000000 
1 1 1 0  36 12 o 16.28900 10.89798 -1.192324      9.464915      -1.192324      9.464915      -1.192324      9.464915      16.28900 10.89798 16.28900 10.89798 -0.000000      0.000000 
1 1 1 0  36 13 o 72.56892 8.650484 57.77424       12.25622      57.77424       12.25622      57.77424       12.25622      72.56892 8.650484 72.56892 8.650484 -0.000000      0.000000 
1 1 1 0  36 14 o 17.37917 11.73630 -2.016254      11.46984      -2.016254      11.46984      -2.016254      11.46984      17.37917 11.73630 17.37917 11.73630 -0.000000      0.000000 
1 1 1 0  36 15 o 57.65390 13.04941 41.22481       13.09927      41.22481       13.09927      41.22481       13.09927      57.65390 13.04941 57.65390 13.04941 -0.000000      0.000000 
1 1 1 0  36 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  36 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  36 18 o 18.01216 11.75425 2.328681       9.996255      2.328681       9.996255      2.328681       9.996255      18.01216 11.75425 18.01216 11.75425 0.000000       0.000000 
1 1 1 0  36 19 o 31.31628 13.74358 16.74072       8.926493      16.74072       8.926493      16.74072       8.926493      31.31628 13.74358 31.31628 13.74358 -0.000000      0.000000 
1 1 1 0  36 20 o 15.79912 10.44817 1.028672       8.232210      1.028672       8.232210      1.028672       8.232210      15.79912 10.44817 15.79912 10.44817 -0.000000      0.000000 
1 1 1 0  36 21 o 14.02392 9.533982 -1.168945      7.750463      -1.168945      7.750463      -1.168945      7.750463      14.02392 9.533982 14.02392 9.533982 -0.000000      0.000000 
1 1 1 0  36 22 o 13.84603 9.352265 -0.4235833     7.289969      -0.4235833     7.289969      -0.4235833     7.289969      13.84603 9.352265 13.84603 9.352265 0.000000       0.000000 
1 1 1 0  36 23 o 15.43341 9.928092 2.898985       6.789093      2.898985       6.789093      2.898985       6.789093      15.43341 9.928092 15.43341 9.928092 -0.000000      0.000000 
1 1 1 0  36 24 o 19.13516 11.03617 7.509589       6.676449      7.509589       6.676449      7.509589       6.676449      19.13516 11.03617 19.13516 11.03617 -0.000000      0.000000 
1 1 1 0  37 1  o 23.69448 14.50736 7.459997       12.85132      7.459997       12.85132      7.459997       12.85132      23.69448 14.50736 23.69448 14.50736 -0.000000      0.000000 
1 1 1 0  37 2  o 36.43983 15.94509 21.14020       12.01534      21.14020       12.01534      21.14020       12.01534      36.43983 15.94509 36.43983 15.94509 0.000000       0.000000 
1 1 1 0  37 3  o 85.43829 8.116748 77.64632       13.63770      77.64632       13.63770      77.64632       13.63770      85.43829 8.116748 85.43829 8.116748 0.000000       0.000000 
1 1 1 0  37 4  o 19.44504 12.24420 3.506128       9.790804      3.506128       9.790804      3.506128       9.790804      19.44504 12.24420 19.44504 12.24420 -0.000000      0.000000 
1 1 1 0  37 5  o 18.83084 11.91436 3.011629       9.386987      3.011629       9.386987      3.011629       9.386987      18.83084 11.91436 18.83084 11.91436 -0.000000      0.000000 
1 1 1 0  37 6  o 53.79167 10.21576 33.22639       9.868733      33.22639       9.868733      33.22639       9.868733      53.79167 10.21576 53.79167 10.21576 -0.000000      0.000000 
1 1 1 0  37 7  o 11.34132 8.257244 -15.98976      9.521592      -15.98976      9.521592      -15.98976      9.521592      11.34132 8.257244 11.34132 8.257244 -0.000000      0.000000 
1 1 1 0  37 8  o 11.79865 8.561641 -15.69929      9.989170      -15.69929      9.989170      -15.69929      9.989170      11.79865 8.561641 11.79865 8.561641 0.000000       0.000000 
1 1 1 0  37 9  o 21.28496 13.30453 5.560638       11.29981      5.560638       11.29981      5.560638       11.29981      21.28496 13.30453 21.28496 13.30453 -0.000000      0.000000 
1 1 1 0  37 10 o 20.23192 13.08955 3.086016       12.05785      3.086016       12.05785      3.086016       12.05785      20.23192 13.08955 20.23192 13.08955 0.000000       0.000000 
1 1 1 0  37 11 o 20.22433 13.16950 2.425739       12.46875      2.425739       12.46875      2.425739       12.46875      20.22433 13.16950 20.22433 13.16950 -0.000000      0.000000 
1 1 1 0  37 12 o 16.65426 11.58042 -5.940369      12.97175      -5.940369      12.97175      -5.940369      12.97175      16.65426 11.58042 16.65426 11.58042 0.000000       0.000000 
1 1 1 0  37 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  37 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  37 15 o 14.85264 10.25006 -3.618063      9.592437      -3.618063      9.592437      -3.618063      9.592437      14.85264 10.25006 14.85264 10.25006 -0.000000      0.000000 
1 1 1 0  37 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  37 17 o 24.99488 13.02423 11.38482       8.395153      11.38482       8.395153      11.38482       8.395153      24.99488 13.02423 24.99488 13.02423 -0.000000      0.000000 
1 1 1 0  37 18 o 22.24458 12.44510 9.252379       8.189702      9.252379       8.189702      9.252379       8.189702      22.24458 12.44510 22.24458 12.44510 -0.000000      0.000000 
1 1 1 0  37 19 o 14.09823 9.632973 -1.456577      8.062181      -1.456577      8.062181      -1.456577      8.062181      14.09823 9.632973 14.09823 9.632973 -0.000000      0.000000 
1 1 1 0  37 20 o 21.30422 12.08158 8.961915       7.849646      8.961915       7.849646      8.961915       7.849646      21.30422 12.08158 21.30422 12.08158 -0.000000      0.000000 
1 1 1 0  37 21 o 27.68950 12.87953 14.47367       7.863815      14.47367       7.863815      14.47367       7.863815      27.68950 12.87953 27.68950 12.87953 0.000000       0.000000 
1 1 1 0  37 22 o 15.77420 10.12183 3.773923       6.989584      3.773923       6.989584      3.773923       6.989584      15.77420 10.12183 15.77420 10.12183 -0.000000      0.000000 
1 1 1 0  38 0  f 111.6006 8.345321 129.9301       18.41975      129.9301       18.41975      129.9301       18.41975      111.6006 8.345321 111.6006 8.345321 0.000000       0.000000 
1 1 1 0  38 1  o 53.34596 12.15785 34.99043       11.28564      34.99043       11.28564      34.99043       11.28564      53.34596 12.15785 53.34596 12.15785 -0.000000      0.000000 
1 1 1 0  38 2  o 41.53175 13.81079 24.12987       10.18045      24.12987       10.18045      24.12987       10.18045      41.53175 13.81079 41.53175 13.81079 -0.000000      0.000000 
1 1 1 0  38 3  o 24.65252 14.66205 9.748297       12.38374      9.748297       12.38374      9.748297       12.38374      24.65252 14.66205 24.65252 14.66205 0.000000       0.000000 
1 1 1 0  38 4  f 31.67643 15.86627 17.56960       12.18537      17.56960       12.18537      17.56960       12.18537      31.67643 15.86627 31.67643 15.86627 -0.000000      0.000000 
1 1 1 0  38 5  o 35.57720 17.59577 22.70588       14.91291      22.70588       14.91291      22.70588       14.91291      35.57720 17.59577 35.57720 17.59577 -0.000000      0.000000 
1 1 1 0  38 6  o 19.29362 13.19753 -3.684657      15.22463      -3.684657      15.22463      -3.684657      15.22463      19.29362 13.19753 19.29362 13.19753 0.000000       0.000000 
1 1 1 0  38 7  o 33.44859 17.89188 22.40833       16.16687      22.40833       16.16687      22.40833       16.16687      33.44859 17.89188 33.44859 17.89188 0.000000       0.000000 
1 1 1 0  38 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  38 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  38 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  38 11 o 20.82272 12.93645 6.415030       10.51342      6.415030       10.51342      6.415030       10.51342      20.82272 12.93645 20.82272 12.93645 0.000000       0.000000 
1 1 1 0  38 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  38 13 o 25.87009 13.84500 12.84423       9.684536      12.84423       9.684536      12.84423       9.684536      25.87009 13.84500 25.87009 13.84500 -0.000000      0.000000 
1 1 1 0  38 14 o 22.32443 12.81512 8.997337       8.954830      8.997337       8.954830      8.997337       8.954830      22.32443 12.81512 22.32443 12.81512 0.000000       0.000000 
1 1 1 0  38 15 o 18.36926 11.44010 4.946410       8.260548      4.946410       8.260548      4.946410       8.260548      18.36926 11.44010 18.36926 11.44010 0.000000       0.000000 
1 1 1 0  38 16 o 16.07409 10.61865 1.623063       8.473083      1.623063       8.473083      1.623063       8.473083      16.07409 10.61865 16.07409 10.61865 0.000000       0.000000 
1 1 1 0  38 17 o 25.28288 12.59707 12.06493       7.665448      12.06493       7.665448      12.06493       7.665448      25.28288 12.59707 25.28288 12.59707 -0.000000      0.000000 
1 1 1 0  38 18 o 10.96010 7.898756 -8.069265      7.615856      -8.069265      7.615856      -8.069265      7.615856      10.96010 7.898756 10.96010 7.898756 0.000000       0.000000 
1 1 1 0  38 19 o 32.65600 12.79433 18.15762       7.962997      18.15762       7.962997      18.15762       7.962997      32.65600 12.79433 32.65600 12.79433 -0.000000      0.000000 
1 1 1 0  39 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  39 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  39 3  o 16.59708 12.17080 -20.44592      21.84157      -20.44592      21.84157      -20.44592      21.84157      16.59708 12.17080 16.59708 12.17080 0.000000       0.000000 
1 1 1 0  39 4  o 41.30759 16.85425 30.32174       13.63061      30.32174       13.63061      30.32174       13.63061      41.30759 16.85425 41.30759 16.85425 0.000000       0.000000 
1 1 1 0  39 5  o 38.14202 15.23976 23.67646       11.21479      23.67646       11.21479      23.67646       11.21479      38.14202 15.23976 38.14202 15.23976 0.000000       0.000000 
1 1 1 0  39 6  o 15.06745 10.47032 -4.856437      10.45675      -4.856437      10.45675      -4.856437      10.45675      15.06745 10.47032 15.06745 10.47032 -0.000000      0.000000 
1 1 1 0  39 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  39 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 0  39 9  o 66.34082 8.942019 49.57037       11.71779      49.57037       11.71779      49.57037       11.71779      66.34082 8.942019 66.34082 8.942019 0.000000       0.000000 
1 1 1 0  39 10 o 37.33417 14.84693 22.88299       10.66220      22.88299       10.66220      22.88299       10.66220      37.33417 14.84693 37.33417 14.84693 0.000000       0.000000 
1 1 1 0  39 11 o 13.38920 9.428020 -6.014756      9.224042      -6.014756      9.224042      -6.014756      9.224042      13.38920 9.428020 13.38920 9.428020 0.000000       0.000000 
1 1 1 0  39 12 o 27.97988 13.90488 14.91999       9.330310      14.91999       9.330310      14.91999       9.330310      27.97988 13.90488 27.97988 13.90488 0.000000       0.000000 
1 1 1 0  39 13 o 25.67843 13.04961 12.53960       8.303054      12.53960       8.303054      12.53960       8.303054      25.67843 13.04961 25.67843 13.04961 0.000000       0.000000 
1 1 1 0  39 14 o 13.26125 9.211006 -2.894026      8.012589      -2.894026      8.012589      -2.894026      8.012589      13.26125 9.211006 13.26125 9.211006 -0.000000      0.000000 
1 1 1 0  39 15 o 23.04574 12.48196 10.69054       7.948828      10.69054       7.948828      10.69054       7.948828      23.04574 12.48196 23.04574 12.48196 -0.000000      0.000000 
1 1 1 0  39 16 o 12.82445 8.919227 -2.899693      7.729208      -2.899693      7.729208      -2.899693      7.729208      12.82445 8.919227 12.82445 8.919227 0.000000       0.000000 
1 1 1 0  39 17 o 12.56059 8.728053 -2.141650      7.261631      -2.141650      7.261631      -2.141650      7.261631      12.56059 8.728053 12.56059 8.728053 0.000000       0.000000 
1 1 1 0  40 0  o 58.87790 14.41305 43.72564       14.68620      43.72564       14.68620      43.72564       14.68620      58.87790 14.41305 58.87790 14.41305 0.000000       0.000000 
1 1 1 0  40 1  o 34.70069 15.30225 21.21813       11.06602      21.21813       11.06602      21.21813       11.06602      34.70069 15.30225 34.70069 15.30225 0.000000       0.000000 
1 1 1 0  40 2  o 22.56402 13.50377 9.131943       10.61261      9.131943       10.61261      9.131943       10.61261      22.56402 13.50377 22.56402 13.50377 -0.000000      0.000000 
1 1 1 0  40 3  o 22.81017 13.44750 9.535762       10.26547      9.535762       10.26547      9.535762       10.26547      22.81017 13.44750 22.81017 13.44750 -0.000000      0.000000 
1 1 1 0  40 4  f 18.33945 12.19233 2.080014       11.40607      2.080014       11.40607      2.080014       11.40607      18.33945 12.19233 18.33945 12.19233 -0.000000      0.000000 
1 1 1 0  40 5  o 15.02170 10.12013 -0.5767506     8.437660      -0.5767506     8.437660      -0.5767506     8.437660      15.02170 10.12013 15.02170 10.12013 -0.000000      0.000000 
1 1 1 0  40 6  o 15.91412 10.55945 1.133523       8.501422      1.133523       8.501422      1.133523       8.501422      15.91412 10.55945 15.91412 10.55945 -0.000000      0.000000 
1 1 1 0  40 7  f 15.10018 10.23507 -0.7637110     8.841478      -0.7637110     8.841478      -0.7637110     8.841478      15.10018 10.23507 15.10018 10.23507 0.000000       0.000000 
1 1 1 0  40 8  o 13.76042 9.558463 -3.282965      8.643111      -3.282965      8.643111      -3.282965      8.643111      13.76042 9.558463 13.76042 9.558463 -0.000000      0.000000 
1 1 1 0  40 9  o 13.25684 9.260162 -4.220247      8.551013      -4.220247      8.551013      -4.220247      8.551013      13.25684 9.260162 13.25684 9.260162 0.000000       0.000000 
1 1 1 0  40 10 o 19.06131 11.67325 6.446911       8.324308      6.446911       8.324308      6.446911       8.324308      19.06131 11.67325 19.06131 11.67325 0.000000       0.000000 
1 1 1 0  40 11 o 12.60826 8.865219 -4.499377      8.097604      -4.499377      8.097604      -4.499377      8.097604      12.60826 8.865219 12.60826 8.865219 0.000000       0.000000 
1 1 1 0  40 12 o 16.37467 10.67248 3.154736       8.210957      3.154736       8.210957      3.154736       8.210957      16.37467 10.67248 16.37467 10.67248 -0.000000      0.000000 
1 1 1 0  40 13 o 15.00163 10.13031 0.7509589      8.543928      0.7509589      8.543928      0.7509589      8.543928      15.00163 10.13031 15.00163 10.13031 0.000000       0.000000 
1 1 1 0  40 14 o 17.95071 11.40409 6.176991       8.678535      6.176991       8.678535      6.176991       8.678535      17.95071 11.40409 17.95071 11.40409 -0.000000      0.000000 
1 1 1 0  41 1  o 15.16118 10.23059 0.1469329      8.685618      0.1469329      8.685618      0.1469329      8.685618      15.16118 10.23059 15.16118 10.23059 0.000000       0.000000 
1 1 1 0  41 2  o 22.47772 12.63767 10.22296       8.501422      10.22296       8.501422      10.22296       8.501422      22.47772 12.63767 22.47772 12.63767 0.000000       0.000000 
1 1 1 0  41 3  o 11.57320 8.344916 -8.983169      8.558097      -8.983169      8.558097      -8.983169      8.558097      11.57320 8.344916 11.57320 8.344916 -0.000000      0.000000 
1 1 1 0  41 4  o 11.40068 8.249911 -10.17337      8.756464      -10.17337      8.756464      -10.17337      8.756464      11.40068 8.249911 11.40068 8.249911 0.000000       0.000000 
1 1 1 0  41 5  o 16.40364 10.84202 2.522088       8.848563      2.522088       8.848563      2.522088       8.848563      16.40364 10.84202 16.40364 10.84202 -0.000000      0.000000 
1 1 1 0  41 6  f 20.05026 12.52182 7.807138       9.982086      7.807138       9.982086      7.807138       9.982086      20.05026 12.52182 20.05026 12.52182 -0.000000      0.000000 
1 1 1 0  41 7  f 16.56547 11.03624 2.520671       9.464915      2.520671       9.464915      2.520671       9.464915      16.56547 11.03624 16.56547 11.03624 -0.000000      0.000000 
1 1 1 0  41 8  o 17.74399 11.52030 4.895402       9.457831      4.895402       9.457831      4.895402       9.457831      17.74399 11.52030 17.74399 11.52030 -0.000000      0.000000 
1 1 1 0  41 9  o 29.38400 13.91726 17.77505       9.209873      17.77505       9.209873      17.77505       9.209873      29.38400 13.91726 29.38400 13.91726 0.000000       0.000000 
1 1 1 1  0  1  o 4.771710 2.007904 0.3221330      0.1918487     0.3221330      0.1918487     0.3221330      0.1918487     4.771710 2.007904 4.771710 2.007904 -0.000000      0.000000 
1 1 1 1  0  2  o 794.6481 11.45702 6323.641       182.0013      6323.641       182.0013      6323.641       182.0013      794.6481 11.45702 794.6481 11.45702 0.000000       0.000000 
1 1 1 1  0  3  o 69.58189 1.358356 48.47227       1.888732      48.47227       1.888732      48.47227       1.888732      69.58189 1.358356 69.58189 1.358356 -0.000000      0.000000 
1 1 1 1  0  4  o 42.20169 1.380641 17.86716       1.162569      17.86716       1.162569      17.86716       1.162569      42.20169 1.380641 42.20169 1.380641 -0.000000      0.000000 
1 1 1 1  0  5  o 211.8061 3.170801 448.9459       13.42516      448.9459       13.42516      448.9459       13.42516      211.8061 3.170801 211.8061 3.170801 -0.000000      0.000000 
1 1 1 1  0  6  o 251.1363 3.722711 631.1597       18.68896      631.1597       18.68896      631.1597       18.68896      251.1363 3.722711 251.1363 3.722711 0.000000       0.000000 
1 1 1 1  0  7  o 983.2178 14.19413 9684.536       278.9883      9684.536       278.9883      9684.536       278.9883      983.2178 14.19413 983.2178 14.19413 -0.000000      0.000000 
1 1 1 1  0  8  o 1164.713 13.72974 13588.11       319.7243      13588.11       319.7243      13588.11       319.7243      1164.713 13.72974 1164.713 13.72974 -0.000000      0.000000 
1 1 1 1  0  9  o 132.2791 1.600819 175.0584       4.233708      175.0584       4.233708      175.0584       4.233708      132.2791 1.600819 132.2791 1.600819 -0.000000      0.000000 
1 1 1 1  0  10 o 582.5581 5.973093 3396.318       69.57705      3396.318       69.57705      3396.318       69.57705      582.5581 5.973093 582.5581 5.973093 -0.000000      0.000000 
1 1 1 1  0  11 o 87.71706 1.455079 77.00871       2.551135      77.00871       2.551135      77.00871       2.551135      87.71706 1.455079 87.71706 1.455079 0.000000       0.000000 
1 1 1 1  0  12 o 245.8137 2.659406 604.5219       13.07094      604.5219       13.07094      604.5219       13.07094      245.8137 2.659406 245.8137 2.659406 0.000000       0.000000 
1 1 1 1  0  13 o 100.9651 2.164090 102.0879       4.365480      102.0879       4.365480      102.0879       4.365480      100.9651 2.164090 100.9651 2.164090 -0.000000      0.000000 
1 1 1 1  0  14 o 123.6938 1.703786 153.0964       4.213163      153.0964       4.213163      153.0964       4.213163      123.6938 1.703786 123.6938 1.703786 0.000000       0.000000 
1 1 1 1  0  15 o 163.7112 1.988904 268.1490       6.509964      268.1490       6.509964      268.1490       6.509964      163.7112 1.988904 163.7112 1.988904 0.000000       0.000000 
1 1 1 1  0  16 o 170.7618 2.070090 291.7404       7.067515      291.7404       7.067515      291.7404       7.067515      170.7618 2.070090 170.7618 2.070090 0.000000       0.000000 
1 1 1 1  0  17 o 1278.847 15.09505 16400.66       385.9645      16400.66       385.9645      16400.66       385.9645      1278.847 15.09505 1278.847 15.09505 0.000000       0.000000 
1 1 1 1  0  18 o 292.9588 3.171178 858.6436       18.57561      858.6436       18.57561      858.6436       18.57561      292.9588 3.171178 292.9588 3.171178 -0.000000      0.000000 
1 1 1 1  0  19 o 77.04598 2.453225 59.54537       3.771798      59.54537       3.771798      59.54537       3.771798      77.04598 2.453225 77.04598 2.453225 0.000000       0.000000 
1 1 1 1  0  20 o 374.5303 3.966684 1403.443       29.70539      1403.443       29.70539      1403.443       29.70539      374.5303 3.966684 374.5303 3.966684 0.000000       0.000000 
1 1 1 1  0  21 o 682.6707 7.037726 4665.155       96.06606      4665.155       96.06606      4665.155       96.06606      682.6707 7.037726 682.6707 7.037726 -0.000000      0.000000 
1 1 1 1  0  22 o 595.6403 6.174451 3550.760       73.53729      3550.760       73.53729      3550.760       73.53729      595.6403 6.174451 595.6403 6.174451 0.000000       0.000000 
1 1 1 1  0  23 f 345.3026 3.758658 1193.033       25.95059      1193.033       25.95059      1193.033       25.95059      345.3026 3.758658 345.3026 3.758658 0.000000       0.000000 
1 1 1 1  0  24 o 641.5659 6.638162 4121.064       85.15590      4121.064       85.15590      4121.064       85.15590      641.5659 6.638162 641.5659 6.638162 0.000000       0.000000 
1 1 1 1  0  25 o 137.4761 2.153962 189.1566       5.919114      189.1566       5.919114      189.1566       5.919114      137.4761 2.153962 137.4761 2.153962 0.000000       0.000000 
1 1 1 1  0  26 o 220.5402 3.019269 486.7772       13.31181      486.7772       13.31181      486.7772       13.31181      220.5402 3.019269 220.5402 3.019269 0.000000       0.000000 
1 1 1 1  0  27 f 191.0157 2.387492 365.1360       9.117774      365.1360       9.117774      365.1360       9.117774      191.0157 2.387492 191.0157 2.387492 -0.000000      0.000000 
1 1 1 1  0  28 o 493.6696 5.162506 2441.325       50.95894      2441.325       50.95894      2441.325       50.95894      493.6696 5.162506 493.6696 5.162506 0.000000       0.000000 
1 1 1 1  0  29 o 11.24327 6.762984 1.344641       2.685032      1.344641       2.685032      1.344641       2.685032      11.24327 6.762984 11.24327 6.762984 0.000000       0.000000 
1 1 1 1  0  30 o 318.8677 3.475780 1018.045       22.16037      1018.045       22.16037      1018.045       22.16037      318.8677 3.475780 318.8677 3.475780 0.000000       0.000000 
1 1 1 1  0  31 o 32.72115 4.187284 11.24313       2.668029      11.24313       2.668029      11.24313       2.668029      32.72115 4.187284 32.72115 4.187284 -0.000000      0.000000 
1 1 1 1  0  32 o 188.6658 2.370283 356.3513       8.940661      356.3513       8.940661      356.3513       8.940661      188.6658 2.370283 188.6658 2.370283 0.000000       0.000000 
1 1 1 1  0  33 o 23.03993 6.671516 6.507838       2.664487      6.507838       2.664487      6.507838       2.664487      23.03993 6.671516 23.03993 6.671516 -0.000000      0.000000 
1 1 1 1  0  34 o 86.91628 2.141699 75.73349       3.717955      75.73349       3.717955      75.73349       3.717955      86.91628 2.141699 86.91628 2.141699 -0.000000      0.000000 
1 1 1 1  0  35 o 195.4317 2.427818 382.4931       9.486169      382.4931       9.486169      382.4931       9.486169      195.4317 2.427818 195.4317 2.427818 -0.000000      0.000000 
1 1 1 1  0  36 o 14.30509 7.505156 3.026506       2.802635      3.026506       2.802635      3.026506       2.802635      14.30509 7.505156 14.30509 7.505156 -0.000000      0.000000 
1 1 1 1  0  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  0  38 o 191.6067 3.444792 368.6783       13.19137      368.6783       13.19137      368.6783       13.19137      191.6067 3.444792 191.6067 3.444792 -0.000000      0.000000 
1 1 1 1  0  39 o 92.67298 2.120800 86.14774       3.926240      86.14774       3.926240      86.14774       3.926240      92.67298 2.120800 92.67298 2.120800 -0.000000      0.000000 
1 1 1 1  0  40 o 118.7556 2.394087 141.5487       5.681075      141.5487       5.681075      141.5487       5.681075      118.7556 2.394087 118.7556 2.394087 -0.000000      0.000000 
1 1 1 1  0  41 o 8.148008 5.612092 -1.647151      2.852935      -1.647151      2.852935      -1.647151      2.852935      8.148008 5.612092 8.148008 5.612092 -0.000000      0.000000 
1 1 1 1  0  42 o 64.72134 2.572969 42.26623       3.319097      42.26623       3.319097      42.26623       3.319097      64.72134 2.572969 64.72134 2.572969 0.000000       0.000000 
1 1 1 1  0  43 o 6.452707 4.577797 -2.398109      2.279089      -2.398109      2.279089      -2.398109      2.279089      6.452707 4.577797 6.452707 4.577797 0.000000       0.000000 
1 1 1 1  0  44 o 137.7357 1.919641 190.5735       5.285758      190.5735       5.285758      190.5735       5.285758      137.7357 1.919641 137.7357 1.919641 0.000000       0.000000 
1 1 1 1  0  45 o 39.30455 5.395795 16.45733       4.164279      16.45733       4.164279      16.45733       4.164279      39.30455 5.395795 39.30455 5.395795 -0.000000      0.000000 
1 1 1 1  0  46 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  0  o 5.895437 2.621137 0.5017964      0.3246835     0.5017964      0.3246835     0.5017964      0.3246835     5.895437 2.621137 5.895437 2.621137 0.000000       0.000000 
1 1 1 1  1  1  o 4.007846 1.302274 -0.2873481     0.2415821     -0.1079680     0.3578390     -0.4667280     0.3247543     4.574231 2.015375 3.441461 1.649830 1.132770       2.604549 
1 1 1 1  1  2  o 264.8330 2.517487 701.4381       13.33306      701.0839       16.83282      701.8632       20.68679      264.7636 3.178839 264.9024 3.904606 -0.1388550     5.034975 
1 1 1 1  1  3  o 655.0663 6.105450 4295.343       79.98421      4309.512       101.4503      4280.466       123.6248      656.2322 7.729755 653.9003 9.452882 2.331970       12.21090 
1 1 1 1  1  4  o 838.2293 7.781099 7036.343       130.1426      7261.631       170.8077      6814.598       196.3120      851.6447 10.02811 824.8139 11.90038 26.83081       15.56220 
1 1 1 1  1  5  o 216.5232 2.312376 468.9951       10.01751      456.8097       13.93525      481.1096       14.38866      213.7179 3.260196 219.3285 3.280162 -5.610535      4.624753 
1 1 1 1  1  6  o 448.4360 4.198210 2012.712       37.52669      1924.864       56.14481      2100.560       49.81124      438.6304 6.400013 458.2415 5.435042 -19.61118      8.396420 
1 1 1 1  1  7  o 546.2878 4.572433 2986.124       49.96002      2993.917       70.83810      2977.623       70.46262      547.0328 6.474757 545.5429 6.458026 1.489929       9.144867 
1 1 1 1  1  8  o 231.6982 2.029667 536.8647       9.401155      536.1563       13.32598      537.6440       13.27639      231.5376 2.877714 231.8587 2.863033 -0.3211517     4.059334 
1 1 1 1  1  9  o 338.9382 2.889102 1149.817       19.59578      1110.852       26.86449      1188.074       28.53644      333.2455 4.030736 344.6309 4.140145 -11.38547      5.778203 
1 1 1 1  1  10 o 497.5191 4.191469 2477.456       41.70655      2474.622       58.99986      2480.290       58.96444      497.2342 5.932805 497.8040 5.922455 -0.5698242     8.382938 
1 1 1 1  1  11 o 249.6652 2.198621 623.5084       10.98100      619.6827       15.49384      627.3340       15.55760      248.8992 3.112473 250.4313 3.106162 -1.532043      4.397241 
1 1 1 1  1  12 o 501.5988 3.951414 2518.546       39.60954      2486.666       59.29741      2550.426       52.52462      498.3917 5.948877 504.8059 5.202456 -6.414215      7.902828 
1 1 1 1  1  13 f 607.7338 4.778874 3699.535       58.10722      3728.582       88.48563      3669.781       75.37926      610.0778 7.251996 605.3897 6.225682 4.688110       9.557749 
1 1 1 1  1  14 o 272.6984 2.071229 743.8744       11.29981      747.4167       16.04643      740.3321       15.90474      273.3475 2.935171 272.0493 2.923136 1.298218       4.142457 
1 1 1 1  1  15 o 53.24655 1.365336 28.35932       1.454452      28.11137       1.951785      28.60020       2.157236      53.01735 1.840704 53.47576 2.017022 -0.4584084     2.730672 
1 1 1 1  1  16 o 278.7402 2.127839 777.1716       11.85948      787.0900       16.97450      767.2533       16.57777      280.5186 3.025558 276.9619 2.992790 3.556763       4.255677 
1 1 1 1  1  17 o 621.6645 5.223428 3869.564       64.95086      3784.550       89.83168      3954.578       93.86986      614.8425 7.305260 628.4865 7.467931 -13.64392      10.44686 
1 1 1 1  1  18 o 51.61335 1.889967 26.66612       1.960995      28.21763       3.064762      25.11462       2.447701      53.11546 2.885000 50.11123 2.442268 3.004230       3.779934 
1 1 1 1  1  19 o 286.8683 2.566543 823.2209       14.72871      833.8478       21.14729      812.5942       20.50259      288.7191 3.662259 285.0175 3.596726 3.701691       5.133087 
1 1 1 1  1  20 o 390.1295 3.360031 1523.171       26.21980      1506.168       36.59153      1539.466       37.56211      387.9983 4.715425 392.2607 4.787902 -4.262360      6.720063 
1 1 1 1  1  21 o 328.4865 2.720563 1080.389       17.95217      1031.506       22.37291      1128.564       28.07594      321.1153 3.483625 335.8577 4.179738 -14.74237      5.441126 
1 1 1 1  1  22 o 240.6469 1.994774 579.2302       9.599521      581.4973       13.65187      576.9631       13.50309      241.1176 2.830956 240.1761 2.811081 0.9415131      3.989547 
1 1 1 1  1  23 o 198.3438 2.538496 393.6158       10.06710      388.9400       14.26822      398.2207       14.21154      197.1738 3.618183 199.5137 3.561546 -2.339874      5.076993 
1 1 1 1  1  24 o 455.1588 3.387390 2073.638       30.83891      2067.262       43.49186      2080.014       43.72564      454.4596 4.785008 455.8581 4.795971 -1.398529      6.774780 
1 1 1 1  1  25 o 710.8906 5.188193 5066.139       73.74983      5095.185       104.9217      5037.801       103.7173      712.8983 7.358814 708.8829 7.315548 4.015320       10.37639 
1 1 1 1  1  26 o 360.2515 2.734149 1298.592       19.70204      1312.761       28.15387      1285.132       27.56586      362.1656 3.886878 358.3373 3.846356 3.828339       5.468297 
1 1 1 1  1  27 o 178.6755 1.628945 319.4409       5.822057      319.7951       8.246379      319.0158       8.218040      178.7844 2.306236 178.5666 2.301113 0.2177582      3.257890 
1 1 1 1  1  28 o 296.9368 2.312097 882.7309       13.72979      890.5239       19.59578      874.9379       19.24155      298.2460 3.285171 295.6277 3.254356 2.618317       4.624195 
1 1 1 1  1  29 o 414.7472 3.106840 1724.372       25.77348      1705.244       36.09562      1743.500       36.79699      412.4508 4.375748 417.0435 4.411648 -4.592712      6.213679 
1 1 1 1  1  30 o 155.1590 1.512370 240.8736       4.693493      241.5820       6.661572      240.2360       6.612689      155.3755 2.143701 154.9425 2.133917 0.4329834      3.024740 
1 1 1 1  1  31 o 42.76363 2.196155 18.32056       1.878106      18.52601       2.672280      18.12220       2.640400      42.99920 3.107360 42.52807 3.104303 0.4711304      4.392310 
1 1 1 1  1  32 o 178.7506 1.620464 320.0077       5.795135      311.2229       8.040927      328.7216       8.345562      176.3073 2.280373 181.1939 2.302937 -4.886536      3.240929 
1 1 1 1  1  33 o 114.7258 1.408192 131.7720       3.231249      132.6930       4.595018      130.8510       4.544010      115.1264 1.995641 114.3251 1.987319 0.8013077      2.816384 
1 1 1 1  1  34 o 265.4026 2.121559 706.1847       11.26438      709.8687       16.01810      702.7133       15.83390      266.0725 3.010099 264.7328 2.990543 1.339752       4.243118 
1 1 1 1  1  35 o 77.18005 1.585857 59.73665       2.456202      55.82600       3.208578      63.64022       3.718663      74.65855 2.148835 79.70155 2.332868 -5.042992      3.171713 
1 1 1 1  1  36 o 195.1818 1.882903 382.0680       7.367898      393.4033       11.46984      370.8036       9.259464      198.0191 2.896144 192.3446 2.406999 5.674469       3.765805 
1 1 1 1  1  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  1  38 o 52.92189 2.050756 28.15387       2.191241      29.64871       3.668363      26.66612       2.397401      54.28090 3.379055 51.56288 2.324735 2.718025       4.101513 
1 1 1 1  1  39 o 43.91035 2.188808 19.47534       1.963120      21.74947       3.336099      17.20121       2.070804      46.43395 3.592306 41.38676 2.501772 5.047192       4.377617 
1 1 1 1  1  40 o 82.29294 2.115843 68.25933       3.416863      65.00045       6.264131      71.55363       2.732499      80.09243 3.910564 84.49344 1.616989 -4.401009      4.231686 
1 1 1 1  1  41 o 70.23436 2.346673 50.01670       3.207161      55.80475       3.601769      44.22865       5.308429      74.48828 2.417675 65.98044 4.022730 8.507843       4.693347 
1 1 1 1  1  42 o 71.64513 2.206947 52.11371       3.074681      57.54754       3.276590      46.67280       5.204287      75.62723 2.166276 67.66302 3.845740 7.964211       4.413895 
1 1 1 1  1  43 o 104.9878 2.362786 112.5022       4.954203      100.5293       6.798304      124.4041       7.212039      99.35672 3.421160 110.6188 3.259862 -11.26207      4.725572 
1 1 1 1  1  44 o 64.56664 2.658484 42.97469       3.431032      44.83083       4.879816      41.11146       4.825265      65.99577 3.697067 63.13749 3.821236 2.858284       5.316968 
1 1 1 1  1  45 o 37.87561 4.277267 16.42191       3.267380      10.95975       3.594684      21.88408       5.456496      31.21553 5.970967 44.53570 6.125979 -13.32018      8.554535 
1 1 1 1  1  46 o 14.88539 6.961373 -2.585849      5.130608      -2.585849      5.130608      ?              ?             14.88539 6.961373 ?        ?        ?              ?        
1 1 1 1  2  0  o 239.6383 2.939592 574.5544       14.08402      574.5544       14.08402      574.5544       14.08402      239.6383 2.939592 239.6383 2.939592 0.000000       0.000000 
1 1 1 1  2  1  o 1534.023 12.79306 23641.04       393.1199      24831.24       583.5517      22450.84       526.9465      1572.505 18.55485 1495.541 17.61725 76.96399       25.58613 
1 1 1 1  2  2  o 966.2312 8.047388 9351.564       155.5760      9167.366       215.6527      9535.762       224.2250      956.7289 11.27032 975.7334 11.49008 -19.00446      16.09478 
1 1 1 1  2  3  o 638.7930 5.336472 4083.516       68.17432      4136.650       97.62466      4030.382       95.21592      642.9465 7.591974 634.6395 7.501576 8.307007       10.67294 
1 1 1 1  2  4  o 772.6577 6.451942 5977.208       99.75002      5795.844       136.8020      6158.571       145.2326      760.9440 8.988969 784.3715 9.257897 -23.42755      12.90388 
1 1 1 1  2  5  o 352.4193 2.994998 1242.624       21.11186      1252.543       30.10212      1231.998       29.60620      353.8761 4.253201 350.9624 4.217859 2.913666       5.989996 
1 1 1 1  2  6  o 176.0151 1.497416 309.9477       5.260962      299.7459       7.807138      320.0785       7.052638      173.1267 2.254747 178.9034 1.971074 -5.776703      2.994832 
1 1 1 1  2  7  o 601.8049 4.700041 3624.439       56.47778      3756.211       76.93786      3493.376       82.67632      612.7350 6.278233 590.8749 6.996093 21.86005       9.400082 
1 1 1 1  2  8  o 613.0342 4.796699 3760.462       58.77316      3699.535       87.56464      3822.097       78.35477      608.0139 7.200875 618.0546 6.338823 -10.04065      9.593397 
1 1 1 1  2  9  o 301.2026 2.432842 907.5267       14.67912      925.2380       22.62086      889.8155       18.71730      304.1361 3.718872 298.2690 3.137653 5.867096       4.865684 
1 1 1 1  2  10 o 397.6031 3.159971 1581.973       25.09336      1541.591       37.14413      1622.355       33.74356      392.5150 4.731555 402.6913 4.189755 -10.17630      6.319941 
1 1 1 1  2  11 o 163.8131 1.481030 268.7158       4.893985      286.5688       7.885069      250.7919       5.795844      169.2699 2.329140 158.3563 1.830001 10.91360       2.962059 
1 1 1 1  2  12 o 155.5250 1.795288 242.4322       5.516714      221.1078       8.586436      263.6857       6.930075      148.6775 2.887604 162.3724 2.134006 -13.69495      3.590577 
1 1 1 1  2  13 o 296.0991 2.768637 877.7718       16.31564      850.1422       26.37566      904.6929       19.19904      291.4697 4.524598 300.7286 3.192088 -9.258942      5.537275 
1 1 1 1  2  14 o 286.2791 2.855708 819.6788       16.35815      823.9294       25.66721      816.1365       20.29006      286.9406 4.472564 285.6176 3.551963 1.323059       5.711416 
1 1 1 1  2  15 o 143.1603 1.542068 205.0260       4.415071      196.8079       6.155738      213.3148       6.330725      140.2780 2.194122 146.0426 2.167425 -5.764618      3.084137 
1 1 1 1  2  16 o 175.8265 2.274364 309.2392       7.998421      312.7815       11.54068      305.6970       11.08019      176.8329 3.263159 174.8201 3.169025 2.012802       4.548728 
1 1 1 1  2  17 o 230.9672 2.270231 533.9601       10.59135      561.3063       17.87424      506.5430       11.37065      236.8842 3.772780 225.0503 2.526247 11.83391       4.540462 
1 1 1 1  2  18 o 482.0979 3.840851 2325.847       37.08037      2360.561       56.83908      2291.133       47.62921      485.6703 5.851612 478.5255 4.976665 7.144867       7.681703 
1 1 1 1  2  19 o 411.7225 3.311889 1696.034       27.25414      1680.448       41.01228      1711.620       35.90434      409.8162 5.003740 413.6288 4.340164 -3.812622      6.623778 
1 1 1 1  2  20 o 960.8478 9.010973 9266.550       173.1456      9280.719       268.5741      9252.381       218.6991      961.2239 13.97042 960.4717 11.38498 0.7521973      18.02195 
1 1 1 1  2  21 o 286.3144 2.429647 820.3871       13.91399      820.3871       21.22522      819.6788       17.99467      286.3684 3.705929 286.2603 3.143061 0.1080627      4.859294 
1 1 1 1  2  22 o 403.9617 3.039173 1632.981       24.55494      1632.981       34.81332      1632.273       34.63621      404.0050 4.308526 403.9183 4.287527 0.8670044E-01  6.078345 
1 1 1 1  2  23 o 692.9544 5.065695 4810.388       70.21466      4889.734       100.9544      4731.041       97.62466      698.6598 7.224859 687.2490 7.102568 11.41077       10.13139 
1 1 1 1  2  24 o 426.1593 3.694394 1817.887       31.49068      1795.925       44.39159      1840.558       44.66788      423.5425 5.240511 428.7761 5.208766 -5.233582      7.388789 
1 1 1 1  2  25 o 429.9609 3.208404 1850.476       27.59420      1861.811       39.29073      1839.141       38.74523      431.2761 4.555172 428.6456 4.519494 2.630463       6.416808 
1 1 1 1  2  26 o 385.7500 2.906996 1489.166       22.42958      1478.539       31.54736      1500.501       31.88741      384.3287 4.104215 387.1713 4.117998 -2.842560      5.813991 
1 1 1 1  2  27 o 76.89307 1.846005 59.17698       2.836641      57.61130       4.110437      60.73557       3.909237      75.87606 2.708652 77.91008 2.508813 -2.034019      3.692010 
1 1 1 1  2  28 o 138.6131 1.744236 192.2738       4.837308      195.3910       7.012255      189.1566       6.664406      139.7352 2.509122 137.4910 2.423579 2.244263       3.488471 
1 1 1 1  2  29 o 123.3526 1.597849 152.2463       3.949619      156.1428       6.060805      148.4207       5.066847      124.9105 2.426058 121.7946 2.080078 3.115898       3.195698 
1 1 1 1  2  30 o 98.78958 1.490482 97.69550       2.945034      97.69550       4.670114      97.62466       3.589017      98.79887 2.363445 98.78028 1.816667 0.1859283E-01  2.980965 
1 1 1 1  2  31 o 266.4600 2.308827 711.2856       12.28455      695.7705       18.41975      727.5800       16.25897      263.4389 3.496019 269.4811 3.016717 -6.042267      4.617654 
1 1 1 1  2  32 o 65.15799 1.519319 42.52128       1.998543      44.32074       3.435283      40.72181       2.043883      66.52162 2.582080 63.79436 1.601931 2.727257       3.038638 
1 1 1 1  2  33 o 70.45287 1.554528 49.70498       2.194075      50.40635       3.496918      49.01070       2.651735      70.93468 2.464886 69.97105 1.894880 0.9636230      3.109057 
1 1 1 1  2  34 o 311.9686 2.836186 978.3719       17.69713      971.2875       24.90208      984.7480       25.15004      310.8975 4.004869 313.0398 4.017068 -2.142242      5.672373 
1 1 1 1  2  35 o 157.4354 2.178524 248.6666       6.843644      252.5631       8.303054      244.7701       10.88182      158.7392 2.615314 156.1316 3.484823 2.607574       4.357047 
1 1 1 1  2  36 o 160.8268 2.206297 259.7184       7.067515      266.8738       8.586436      252.4922       11.22896      163.1420 2.631584 158.5117 3.541998 4.630295       4.412594 
1 1 1 1  2  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  2  38 o 49.11113 4.433571 24.65412       4.345644      23.51352       6.298845      25.79473       5.988543      47.92310 6.571825 50.29915 5.952927 -2.376049      8.867143 
1 1 1 1  2  39 o 133.3541 2.498668 179.4508       6.667239      187.9523       9.719957      170.9494       9.131943      136.5062 3.560264 130.2021 3.506836 6.304108       4.997337 
1 1 1 1  2  40 o 42.91485 5.681958 21.21105       4.922323      9.996255       5.537259      32.42584       8.140111      30.19638 8.695791 55.63333 7.315859 -25.43695      11.36392 
1 1 1 1  2  41 o 39.88001 4.574466 16.58486       3.652777      17.59794       5.380691      15.57885       4.942160      41.07450 6.549918 38.68552 6.387608 2.388973       9.148932 
1 1 1 1  2  42 o 86.38680 2.775419 76.37110       4.779216      68.83318       6.728875      83.88069       6.788385      82.03996 4.100974 90.73364 3.740831 -8.693680      5.550838 
1 1 1 1  2  43 o 69.61300 3.315337 50.40635       4.582266      44.49786       6.567348      56.31483       6.391652      65.33485 5.025916 73.89115 4.325046 -8.556305      6.630675 
1 1 1 1  2  44 o 61.98777 3.158603 40.25423       3.924823      45.75182       5.918406      34.76373       5.157529      66.23707 4.467594 57.73848 4.466284 8.498589       6.317206 
1 1 1 1  2  45 o 17.34999 4.977063 1.687532       2.828140      -0.3745584     4.199702      3.749835       3.790217      15.36514 6.819492 19.33483 7.251149 -3.969686      9.954126 
1 1 1 1  2  46 o 33.04734 4.665811 13.14178       3.011629      9.096521       4.256378      17.19412       4.262046      26.78774 7.595168 39.30695 5.421492 -12.51920      9.331621 
1 1 1 1  3  0  o 295.7352 3.126992 874.9379       18.49059      874.9379       18.49059      874.9379       18.49059      295.7352 3.126992 295.7352 3.126992 -0.000000      0.000000 
1 1 1 1  3  1  o 586.1614 4.251744 3437.408       49.83958      3407.653       69.85335      3467.163       71.12856      583.6256 5.984431 588.6973 6.041183 -5.071655      8.503489 
1 1 1 1  3  2  o 620.3123 4.496195 3849.727       55.78349      3849.727       78.92152      3849.727       78.85069      620.3122 6.361436 620.3124 6.355723 -0.2441406E-03 8.992391 
1 1 1 1  3  3  o 711.9684 5.546872 5075.349       78.85069      5324.724       108.8182      4826.682       114.0607      729.4686 7.458730 694.4681 8.212093 35.00049       11.09374 
1 1 1 1  3  4  o 396.3925 3.150489 1571.346       25.00126      1550.801       32.22039      1592.600       38.24223      393.7641 4.091331 399.0210 4.792007 -5.256927      6.300978 
1 1 1 1  3  5  o 728.0825 6.085682 5305.596       88.62732      5346.686       126.2461      5264.505       124.4041      730.8998 8.636348 725.2653 8.576457 5.634583       12.17136 
1 1 1 1  3  6  o 1127.493 10.50234 12745.05       236.6229      12858.40       302.5797      12631.70       363.8608      1132.782 13.35561 1122.205 16.21187 10.57678       21.00469 
1 1 1 1  3  7  o 607.9674 5.098252 3698.827       62.01787      3651.361       86.57281      3746.293       88.76900      604.0687 7.165808 611.8661 7.253957 -7.797424      10.19650 
1 1 1 1  3  8  o 683.3993 5.730313 4675.782       78.28393      4610.604       109.3141      4740.251       112.2188      678.6660 8.053603 688.1327 8.153860 -9.466736      11.46063 
1 1 1 1  3  9  o 1045.499 8.172756 10966.83       170.7369      10832.23       255.5385      11094.36       226.5629      1039.046 12.29679 1051.951 10.76870 -12.90491      16.34551 
1 1 1 1  3  10 o 205.2309 2.153902 421.3163       8.869816      430.1011       14.40991      412.6023       10.34340      207.3540 3.474712 203.1079 2.546282 4.246155       4.307804 
1 1 1 1  3  11 o 510.3683 4.841118 2608.520       49.33658      2571.680       75.80434      2645.359       63.20098      506.6954 7.480268 514.0413 6.147461 -7.345947      9.682236 
1 1 1 1  3  12 o 463.5575 4.430724 2151.568       41.06187      2145.192       63.72523      2157.944       51.80908      462.8102 6.884597 464.3048 5.579210 -1.494598      8.861448 
1 1 1 1  3  13 o 345.9294 3.388614 1197.992       23.42850      1191.616       36.43568      1203.660       29.47159      345.0301 5.280073 346.8287 4.248724 -1.798676      6.777228 
1 1 1 1  3  14 o 171.9025 1.717264 295.5661       5.904946      296.7704       8.473083      294.3617       8.225125      172.2522 2.459499 171.5527 2.397260 0.6995697      3.434529 
1 1 1 1  3  15 o 257.5096 2.327352 663.4651       11.99409      641.7156       16.48567      685.2854       17.42083      253.2819 3.254412 261.7373 3.327923 -8.455353      4.654704 
1 1 1 1  3  16 o 796.9266 8.218503 6372.524       131.0636      6232.250       181.2928      6512.089       189.2275      788.2029 11.50039 805.6503 11.74377 -17.44733      16.43701 
1 1 1 1  3  17 o 453.6608 4.358003 2059.469       39.47493      2095.600       50.72515      2024.047       60.50179      457.6344 5.542104 449.6872 6.727097 7.947205       8.716005 
1 1 1 1  3  18 o 305.1399 3.428313 931.6141       20.92058      931.6141       29.66996      931.6141       29.50702      305.1395 4.861705 305.1404 4.834991 -0.9155273E-03 6.856626 
1 1 1 1  3  19 o 300.4123 3.052146 903.2760       18.27097      942.9493       23.97401      863.6028       27.57294      307.0238 3.904258 293.8008 4.692456 13.22308       6.104292 
1 1 1 1  3  20 o 388.8325 5.165735 1513.961       40.28965      1489.874       44.91584      1538.049       66.89202      385.8307 5.820668 391.8343 8.535754 -6.003601      10.33147 
1 1 1 1  3  21 o 789.1952 10.00360 6263.422       157.4180      6367.564       185.8269      6159.280       254.1925      796.4584 11.66583 781.9321 16.25413 14.52631       20.00721 
1 1 1 1  3  22 o 350.2500 3.870842 1227.747       27.11245      1241.916       38.10762      1213.578       38.57520      352.2744 5.408799 348.2256 5.538823 4.048737       7.741684 
1 1 1 1  3  23 o 899.5852 8.498219 8133.027       152.9547      8111.773       192.9114      8154.281       237.3313      898.8637 10.73085 900.3068 13.18058 -1.443054      16.99644 
1 1 1 1  3  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  25 o 946.8176 8.950329 9032.760       169.4617      9039.845       214.8026      9025.676       262.1272      947.8986 11.33046 945.7366 13.85836 2.161987       17.90066 
1 1 1 1  3  26 o 193.5492 2.710728 374.9836       10.49926      381.6430       15.32381      368.3241       14.35323      195.2638 3.923874 191.8346 3.741043 3.429184       5.421457 
1 1 1 1  3  27 o 284.8695 3.744080 812.5942       21.33148      812.5942       21.33148      ?              ?             284.8695 3.744080 ?        ?        ?              ?        
1 1 1 1  3  28 o 162.5247 2.203560 264.4650       7.134109      271.2662       8.515590      257.6639       11.44858      164.6416 2.586099 160.4078 3.568586 4.233780       4.407121 
1 1 1 1  3  29 o 243.1778 3.019523 592.9033       14.68620      575.6171       20.48843      610.1187       21.04810      239.6386 4.274860 246.7171 4.265635 -7.078522      6.039046 
1 1 1 1  3  30 o 235.1770 2.970433 554.6469       13.97775      562.0148       20.15545      547.2791       19.36199      236.7303 4.257049 233.6237 4.143840 3.106613       5.940865 
1 1 1 1  3  31 o 152.1456 3.699514 232.1597       11.25730      232.1597       11.25730      ?              ?             152.1456 3.699514 ?        ?        ?              ?        
1 1 1 1  3  32 o 37.52713 5.208118 14.69329       3.846185      17.98050       5.717914      11.40607       5.144777      42.17483 6.778823 32.87944 7.908574 9.295391       10.41624 
1 1 1 1  3  33 o 235.9804 3.002846 559.8186       14.16904      553.0884       19.98542      566.6198       20.09878      234.5504 4.260368 237.4104 4.232919 -2.859970      6.005692 
1 1 1 1  3  34 o 145.3112 3.656558 0.000000       0.000000      ?              ?             212.0396       10.62678      ?        ?        145.3112 3.656558 ?              ?        
1 1 1 1  3  35 o 27.40360 6.343574 7.098687       4.163571      4.623356       6.290343      9.578268       5.455787      24.62869 9.315990 30.17851 8.612551 -5.549826      12.68715 
1 1 1 1  3  36 o 150.1022 2.651965 226.5629       7.962997      230.0343       11.63986      223.0915       10.87473      151.2305 3.848385 148.9740 3.649877 2.256454       5.303929 
1 1 1 1  3  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  38 o 86.59771 3.204090 76.01688       5.562763      82.81801       8.352647      69.19449       7.353730      90.46744 4.616383 82.72798 4.444524 7.739456       6.408181 
1 1 1 1  3  39 o 50.42438 4.510989 26.16313       4.531257      24.59036       6.652362      27.73589       6.153612      48.81002 6.814546 52.03873 5.912532 -3.228703      9.021977 
1 1 1 1  3  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  3  41 o 123.9784 2.724175 156.0719       6.757213      160.1809       9.812057      152.0338       9.294888      125.5694 3.907025 122.3873 3.797324 3.182083       5.448350 
1 1 1 1  3  42 o 71.11125 3.479572 52.52462       4.908154      45.26299       6.964081      59.79333       6.918032      65.99501 5.276217 76.22749 4.537754 -10.23248      6.959144 
1 1 1 1  3  43 o 18.73915 8.237699 0.000000       0.000000      ?              ?             0.1111561      5.949578      ?        ?        18.73915 8.237699 ?              ?        
1 1 1 1  3  44 o 57.62985 4.377376 36.44276       4.966247      44.66788       7.204955      28.21055       6.835143      64.64417 5.572781 50.61554 6.752020 14.02863       8.754751 
1 1 1 1  3  45 o 30.19928 5.543289 11.27855       3.488416      15.03335       5.150445      7.516674       4.706245      35.51781 7.484829 24.88075 8.178602 10.63706       11.08658 
1 1 1 1  3  46 o 55.47594 3.393720 33.56644       3.751252      31.20730       5.394152      35.92559       5.214913      53.26619 5.063393 57.68569 4.520110 -4.419502      6.787440 
1 1 1 1  4  0  f 502.9289 5.204812 2530.590       52.34042      2530.590       52.34042      2530.590       52.34042      502.9289 5.204812 502.9289 5.204812 0.000000       0.000000 
1 1 1 1  4  1  o 614.9775 4.469767 3783.841       54.99002      3866.730       79.41744      3701.661       76.08772      621.6817 6.387308 608.2733 6.254403 13.40845       8.939534 
1 1 1 1  4  2  o 996.1924 7.194720 9932.494       143.3198      9875.818       201.6254      9996.255       203.8216      993.1765 10.15053 999.2084 10.19915 -6.031921      14.38944 
1 1 1 1  4  3  o 430.5583 3.168941 1854.018       27.28956      1822.138       37.93050      1886.607       39.25531      426.8166 4.443420 434.2999 4.519379 -7.483307      6.337883 
1 1 1 1  4  4  o 364.0078 2.703973 1325.513       19.69496      1287.257       27.06994      1363.770       28.61437      358.7545 3.772767 369.2610 3.874546 -10.50641      5.407945 
1 1 1 1  4  5  o 265.6663 2.038385 706.0430       10.83931      736.7899       15.92599      675.5796       14.71454      271.4253 2.933771 259.9072 2.830730 11.51813       4.076769 
1 1 1 1  4  6  o 625.8802 4.555881 3919.864       57.03745      4019.047       82.67632      3820.680       78.63815      633.7958 6.522316 617.9647 6.362674 15.83112       9.111762 
1 1 1 1  4  7  o 91.80560 1.292250 84.37660       2.366229      80.05505       3.457953      88.62732       3.231249      89.47111 1.932441 94.14011 1.716191 -4.668999      2.584500 
1 1 1 1  4  8  o 670.7436 5.258191 4503.628       70.46262      4582.266       94.08241      4425.699       104.9217      676.6169 6.952412 664.8702 7.890391 11.74670       10.51638 
1 1 1 1  4  9  o 647.4547 5.447000 4198.285       70.53346      4177.740       99.25409      4218.831       100.2459      645.8729 7.683718 649.0364 7.722674 -3.163574      10.89400 
1 1 1 1  4  10 o 82.98911 1.291338 68.90401       2.144484      66.87077       2.944326      70.91602       3.118605      81.77072 1.800354 84.20749 1.851739 -2.436768      2.582675 
1 1 1 1  4  11 o 342.6116 2.986638 1174.613       20.47426      1148.400       28.36641      1200.826       29.52119      338.7899 4.186430 346.4333 4.260732 -7.643402      5.973277 
1 1 1 1  4  12 o 472.2028 3.766551 2231.623       35.53594      2198.326       53.21889      2265.629       47.10496      468.6126 5.678347 475.7930 4.950152 -7.180359      7.533103 
1 1 1 1  4  13 o 203.1319 2.269444 412.7440       9.224042      415.0819       14.75705      410.4769       11.08019      203.6882 3.622460 202.5755 2.734829 1.112778       4.538888 
1 1 1 1  4  14 o 323.9122 3.237364 1049.926       20.96309      1045.675       32.70922      1054.176       26.22688      323.2315 5.059720 324.5928 4.039967 -1.361267      6.474728 
1 1 1 1  4  15 o 156.2251 3.221985 0.000000       0.000000      ?              ?             244.1325       10.06710      ?        ?        156.2251 3.221985 ?              ?        
1 1 1 1  4  16 o 809.3940 8.361616 6572.307       135.3143      6546.095       190.9278      6597.812       191.9196      807.8032 11.81771 810.9847 11.83250 -3.181519      16.72323 
1 1 1 1  4  17 o 388.8167 4.210145 1513.253       32.74464      1499.792       46.03519      1526.005       46.56654      387.1328 5.945659 390.5005 5.962418 -3.367615      8.420290 
1 1 1 1  4  18 o 198.9648 3.705374 396.6621       14.74997      367.7573       20.15545      425.5670       21.54402      191.7054 5.256881 206.2242 5.223446 -14.51875      7.410748 
1 1 1 1  4  19 o 280.5472 3.289998 787.7984       18.46225      795.5914       26.49610      779.2970       25.71680      281.9973 4.697935 279.0970 4.607143 2.900238       6.579997 
1 1 1 1  4  20 o 243.1743 4.330695 591.6281       21.06227      591.6281       21.06227      ?              ?             243.1743 4.330695 ?        ?        ?              ?        
1 1 1 1  4  21 o 493.7481 5.316401 2442.033       52.51044      2465.412       75.16674      2417.946       73.32476      496.1420 7.575123 491.3542 7.461498 4.787842       10.63280 
1 1 1 1  4  22 o 420.8093 4.651678 1773.255       39.14904      1788.841       56.13063      1756.960       54.60038      422.6966 6.639590 418.9221 6.516770 3.774445       9.303356 
1 1 1 1  4  23 o 285.9026 3.486176 818.2618       19.94292      839.5154       29.11737      797.0083       27.26831      289.6113 5.026973 282.1940 4.831483 7.417328       6.972351 
1 1 1 1  4  24 o 254.9098 3.230000 650.4296       16.47150      653.4760       23.64812      647.3124       22.92550      255.5106 4.627619 254.3090 4.507411 1.201660       6.460001 
1 1 1 1  4  25 o 390.2362 4.318243 1526.005       33.71522      1474.997       46.42484      1577.014       48.91151      383.7189 6.049330 396.7535 6.163967 -13.03464      8.636485 
1 1 1 1  4  26 o 228.4691 2.999241 522.6249       13.70854      526.3796       19.77997      518.8701       18.97942      229.2851 4.313402 227.6531 4.168496 1.631943       5.998483 
1 1 1 1  4  27 o 97.38533 2.974933 95.00338       5.793010      94.57832       8.515590      95.42845       7.856731      97.16033 4.382236 97.61032 4.024539 -0.4499893     5.949866 
1 1 1 1  4  28 o 299.5172 3.528393 899.7338       21.14729      920.9873       30.69721      878.4802       29.08903      303.0427 5.064834 295.9917 4.913826 7.050995       7.056786 
1 1 1 1  4  29 o 128.4353 3.872247 165.2818       9.946663      165.2818       9.946663      ?              ?             128.4353 3.872247 ?        ?        ?              ?        
1 1 1 1  4  30 o 57.06513 4.069121 32.75172       4.636817      31.88741       6.850729      33.60895       6.251379      56.29670 6.084486 57.83357 5.404628 -1.536877      8.138242 
1 1 1 1  4  31 o 226.1834 2.990643 513.6984       13.53143      499.6003       18.91566      527.7966       19.34782      223.0769 4.239718 229.2899 4.219073 -6.212982      5.981287 
1 1 1 1  4  32 o 76.08717 3.247561 58.39768       4.908862      51.37692       7.015798      65.41135       6.866314      71.47179 4.908089 80.70255 4.254088 -9.230766      6.495121 
1 1 1 1  4  33 o 303.6534 4.394250 932.3226       26.63779      939.4071       31.36316      925.9465       43.07387      305.2974 5.136494 302.0095 7.131211 3.287872       8.788501 
1 1 1 1  4  34 o 66.68307 5.124360 45.51803       6.757921      38.27057       9.627860      52.76549       9.486169      61.24041 7.860707 72.12573 6.576134 -10.88532      10.24872 
1 1 1 1  4  35 o 280.0657 4.853226 797.7167       27.18330      801.9674       38.87275      792.7576       38.01552      280.8361 6.920896 279.2953 6.805615 1.540833       9.706451 
1 1 1 1  4  36 o 53.90612 6.987432 31.54028       7.134109      20.24047       10.44258      42.83300       9.727042      43.08786 11.78277 64.72438 7.514204 -21.63652      13.97486 
1 1 1 1  4  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  38 o 169.7571 4.052940 293.5824       13.76522      299.6751       20.19796      287.5606       18.71730      171.4200 5.891368 168.0942 5.567503 3.325775       8.105881 
1 1 1 1  4  39 f 64.23750 5.772100 43.20139       7.417490      43.24390       10.95975      43.16597       9.989170      64.12819 8.545189 64.34681 7.761977 -0.2186203     11.54420 
1 1 1 1  4  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  41 o 153.2263 4.065086 243.2823       12.45458      240.3068       18.03010      246.2578       17.17996      152.1217 5.926208 154.3309 5.565947 -2.209198      8.130172 
1 1 1 1  4  42 o 42.69645 7.766835 22.22413       6.749420      19.19196       9.967916      25.25630       9.103605      39.21502 11.77336 46.17788 10.13326 -6.962856      15.53367 
1 1 1 1  4  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  4  45 o 29.38643 7.496176 11.91616       5.703745      9.712874       7.977167      14.12653       8.154280      27.22487 10.43429 31.54799 10.76551 -4.323118      14.99235 
1 1 1 1  4  46 o 37.55178 7.555247 21.46609       5.946744      22.01160       8.543928      20.92767       8.274716      37.95020 10.76108 37.15336 10.60783 0.7968369      15.11049 
1 1 1 1  5  0  o 86.58891 1.982301 75.09589       3.428906      75.09589       3.428906      75.09589       3.428906      86.58891 1.982301 86.58891 1.982301 0.000000       0.000000 
1 1 1 1  5  1  o 492.0487 3.612446 2422.197       35.55011      2423.614       50.32133      2420.072       50.22923      492.2286 5.111582 491.8689 5.105958 0.3597107      7.224893 
1 1 1 1  5  2  o 271.4149 2.101720 736.7899       11.41316      724.0377       15.89057      749.5420       16.37940      269.0661 2.952913 273.7637 2.991523 -4.697571      4.203439 
1 1 1 1  5  3  o 332.3649 2.508404 1105.185       16.67695      1098.809       23.47809      1110.852       23.68354      331.4591 3.541627 333.2706 3.553201 -1.811432      5.016808 
1 1 1 1  5  4  o 239.2360 1.897117 572.3582       9.075267      568.2491       12.73796      576.5381       12.93633      238.3699 2.671889 240.1020 2.693924 -1.732040      3.794235 
1 1 1 1  5  5  o 656.1505 4.777405 4307.387       62.69798      4292.510       88.34394      4322.973       88.98154      654.9911 6.743904 657.3099 6.768615 -2.318726      9.554810 
1 1 1 1  5  6  o 556.1563 4.067056 3094.517       45.23465      3098.768       64.05821      3090.267       63.89526      556.5380 5.755061 555.7744 5.748310 0.7636108      8.134112 
1 1 1 1  5  7  o 231.0156 1.845308 533.7476       8.522675      542.7449       12.24205      524.8210       11.87365      232.9548 2.627558 229.0763 2.591637 3.878510       3.690615 
1 1 1 1  5  8  o 306.3924 2.337576 938.6987       14.32489      952.8677       20.55219      925.2380       19.96417      308.6457 3.329414 304.1391 3.282079 4.506592       4.675151 
1 1 1 1  5  9  o 118.4223 1.553769 140.6277       3.691742      154.3008       5.572681      126.8837       4.844393      124.2091 2.243266 112.6354 2.150476 11.57374       3.107537 
1 1 1 1  5  10 o 414.6264 3.079999 1720.121       25.53969      1717.287       36.06019      1722.955       36.18063      414.2851 4.352099 414.9678 4.359451 -0.6826782     6.159998 
1 1 1 1  5  11 o 398.0976 3.216237 1586.224       25.61762      1577.722       33.27598      1594.017       38.95776      397.0948 4.189929 399.1004 4.880697 -2.005646      6.432473 
1 1 1 1  5  12 o 80.78802 1.329058 65.28384       2.140941      66.80700       2.665196      63.76067       3.352394      81.73181 1.630452 79.84422 2.099334 1.887589       2.658115 
1 1 1 1  5  13 o 469.4973 4.023875 2206.827       37.78173      2223.830       53.87776      2189.824       52.99219      471.3036 5.715824 467.6909 5.665301 3.612640       8.047750 
1 1 1 1  5  14 o 350.2449 2.877030 1227.747       20.17671      1242.624       30.97351      1212.161       25.85849      352.4033 4.394612 348.0866 3.714376 4.316711       5.754060 
1 1 1 1  5  15 o 482.9658 4.671436 2335.766       45.23465      2383.232       71.48279      2287.591       55.43635      487.8491 7.326321 478.0824 5.797782 9.766724       9.342873 
1 1 1 1  5  16 o 364.5944 3.631927 1329.764       26.43942      1309.219       40.82808      1351.018       33.60895      361.7087 5.643778 367.4802 4.572894 -5.771454      7.263855 
1 1 1 1  5  17 o 814.0002 8.420788 6647.403       137.1563      6420.699       187.4563      6874.816       200.3502      800.1342 11.71406 827.8663 12.10040 -27.73206      16.84158 
1 1 1 1  5  18 o 69.01135 4.523620 49.61288       6.164238      68.85443       9.705790      30.37133       7.601687      82.94423 5.850792 55.07847 6.900780 27.86576       9.047239 
1 1 1 1  5  19 o 887.9702 9.189758 7913.407       163.2273      8040.928       234.6392      7785.885       226.9879      895.0984 13.10690 880.8419 12.88472 14.25653       18.37952 
1 1 1 1  5  20 o 181.5706 2.762870 329.8551       10.03168      329.5009       14.42408      330.1385       13.94941      181.4815 3.973981 181.6597 3.839437 -0.1781769     5.525740 
1 1 1 1  5  21 o 432.8560 5.848835 1876.689       50.56220      1861.811       82.10956      1892.275       59.02820      430.9728 9.526073 434.7393 6.788920 -3.766449      11.69767 
1 1 1 1  5  22 o 193.8527 3.316074 376.1170       12.86548      385.1144       19.01485      367.0489       17.34290      196.1768 4.846354 191.5285 4.527498 4.648300       6.632148 
1 1 1 1  5  23 o 450.4970 7.001217 2033.257       63.08055      2033.257       63.08055      ?              ?             450.4970 7.001217 ?        ?        ?              ?        
1 1 1 1  5  24 o 205.5073 4.123008 0.000000       0.000000      ?              ?             422.6623       16.94617      ?        ?        205.5073 4.123008 ?              ?        
1 1 1 1  5  25 o 236.8633 3.137515 561.8023       14.87749      583.4100       21.95492      540.1945       20.09169      241.4142 4.547148 232.3123 4.324284 9.101822       6.275029 
1 1 1 1  5  26 o 136.7228 4.106470 187.1729       11.22896      187.1729       11.22896      ?              ?             136.7228 4.106470 ?        ?        ?              ?        
1 1 1 1  5  27 o 520.8925 6.867466 2738.875       71.55363      2726.831       82.67632      2750.918       116.8237      520.5532 7.941199 521.2317 11.20650 -0.6785278     13.73493 
1 1 1 1  5  28 o 386.0067 6.119403 1503.335       47.24665      1511.836       67.53671      1494.125       66.08438      387.1173 8.723029 384.8961 8.584704 2.221222       12.23881 
1 1 1 1  5  29 o 372.0313 5.945692 1398.484       44.29949      1319.137       59.81459      1477.830       65.35468      361.5253 8.272530 382.5373 8.542263 -21.01193      11.89138 
1 1 1 1  5  30 o 99.41771 4.078557 99.46662       8.125941      105.2051       12.10744      93.79901       10.83931      102.2536 5.920299 96.58179 5.611468 5.671837       8.157115 
1 1 1 1  5  31 o 84.47769 4.397308 72.26208       7.452912      80.90520       11.26438      63.59772       9.762465      89.54662 6.289676 79.40875 6.146971 10.13787       8.794616 
1 1 1 1  5  32 o 195.4952 4.075018 385.5395       15.95433      404.9510       23.57019      366.1987       21.50859      200.3773 5.881454 190.6131 5.641950 9.764114       8.150037 
1 1 1 1  5  33 o 113.5130 3.546375 129.9301       7.970083      123.2706       13.00009      136.5187       9.231127      110.4574 5.884661 116.5686 3.959527 -6.111122      7.092750 
1 1 1 1  5  34 f 68.03848 3.903228 46.98452       5.311971      52.99928       7.863815      40.96268       7.141194      72.42616 5.428849 63.65080 5.609666 8.775364       7.806456 
1 1 1 1  5  35 f 267.3260 3.417583 720.4955       18.27806      727.5800       26.19146      714.1194       25.49010      268.5533 4.876400 266.0987 4.789595 2.454651       6.835166 
1 1 1 1  5  36 o 166.9003 3.038958 280.7594       10.15211      287.7023       14.84915      273.7458       13.84315      168.9463 4.394636 164.8544 4.198599 4.091904       6.077916 
1 1 1 1  5  37 o 23.83810 7.216591 -0.2016254     6.311597      4.928699       9.734127      -5.331808      8.040927      28.18375 11.31680 19.49245 8.958057 8.691298       14.43318 
1 1 1 1  5  38 o 147.7900 3.072047 220.8244       9.082352      219.1241       13.07094      222.5956       12.60336      147.1728 4.440678 148.4073 4.246206 -1.234512      6.144094 
1 1 1 1  5  39 o 80.48479 3.857679 66.28983       6.185493      60.33884       8.827310      72.26208       8.664365      76.76520 5.749552 84.20437 5.144843 -7.439171      7.715358 
1 1 1 1  5  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  41 o 60.95732 4.569511 38.97194       5.580475      41.24606       8.303054      36.69072       7.459997      62.66974 6.624453 59.24490 6.295898 3.424839       9.139022 
1 1 1 1  5  42 o 33.61624 6.993349 13.46058       5.083850      16.45733       7.474166      10.46383       6.891110      37.15252 9.883566 30.07997 9.896608 7.072544       13.98670 
1 1 1 1  5  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  5  45 o 50.53862 4.459342 28.71355       4.508587      29.36533       6.524841      28.06886       6.224457      51.03209 6.392880 50.04514 6.218843 0.9869537      8.918684 
1 1 1 1  5  46 o 27.58084 6.132166 10.37173       4.004878      14.42408       5.732792      6.318681       5.592519      32.69553 8.636866 22.46614 8.707376 10.22939       12.26433 
1 1 1 1  6  0  o 403.3111 4.265191 1627.314       34.39534      1627.314       34.39534      1627.314       34.39534      403.3111 4.265191 403.3111 4.265191 0.000000       0.000000 
1 1 1 1  6  1  o 646.6541 4.719748 4184.116       61.03312      4177.032       86.21858      4190.492       86.43112      646.1340 6.671881 647.1740 6.677580 -1.039978      9.439495 
1 1 1 1  6  2  o 510.4038 3.759259 2606.394       38.39100      2540.508       52.93552      2672.280       55.61347      503.9536 5.252023 516.8539 5.379998 -12.90030      7.518518 
1 1 1 1  6  3  o 1172.369 8.475266 13772.30       198.7207      13956.50       284.6559      13581.02       277.4297      1180.350 12.05812 1164.388 11.91312 15.96191       16.95053 
1 1 1 1  6  4  o 679.9221 4.951142 4626.190       67.35252      4625.481       95.21592      4626.190       95.21592      679.8961 7.002241 679.9482 7.001704 -0.5206299E-01 9.902285 
1 1 1 1  6  5  o 481.9247 3.561508 2323.722       34.33866      2381.106       49.71206      2266.337       47.38834      487.8741 5.094763 475.9753 4.978026 11.89886       7.123015 
1 1 1 1  6  6  o 293.9575 2.280115 864.3112       13.40391      876.3549       19.19904      852.2675       18.71730      296.0053 3.243023 291.9096 3.206009 4.095703       4.560229 
1 1 1 1  6  7  o 341.6865 2.599756 1167.529       17.76797      1178.864       25.36257      1156.902       24.88791      343.2924 3.694019 340.0807 3.659119 3.211761       5.199512 
1 1 1 1  6  8  o 953.9893 6.922274 9124.859       132.0554      9089.437       186.0394      9160.282       187.5272      952.1427 9.769515 955.8359 9.809591 -3.693176      13.84455 
1 1 1 1  6  9  o 513.4359 3.783036 2638.983       38.85150      2689.991       55.97477      2587.266       53.90610      518.4296 5.398493 508.4421 5.301105 9.987457       7.566072 
1 1 1 1  6  10 o 466.6430 3.460476 2179.198       32.29832      2194.075       45.93601      2164.320       45.41176      468.2351 4.905229 465.0509 4.882450 3.184204       6.920953 
1 1 1 1  6  11 o 159.9429 1.659175 255.8928       5.309138      261.2770       7.601687      250.5085       7.410406      161.6257 2.351633 158.2601 2.341211 3.365601       3.318350 
1 1 1 1  6  12 o 345.5231 2.629271 1194.450       18.17179      1197.992       25.78764      1190.907       25.60345      346.0351 3.726160 345.0111 3.710525 1.023987       5.258543 
1 1 1 1  6  13 o 347.9624 2.879643 1211.453       20.03502      1210.036       30.44926      1212.870       26.05686      347.7438 4.378116 348.1809 3.741856 -0.4371033     5.759287 
1 1 1 1  6  14 o 476.3373 3.821931 2270.588       36.37900      2301.052       48.12513      2240.833       54.56496      479.5223 5.018028 473.1523 5.766109 6.369995       7.643862 
1 1 1 1  6  15 o 344.8179 2.866008 1189.491       19.77997      1202.951       30.36424      1176.030       25.36966      346.7579 4.378306 342.8779 3.699518 3.880035       5.732015 
1 1 1 1  6  16 o 549.1121 4.698263 3018.005       51.58237      3044.926       73.67899      2991.083       72.26208      551.5587 6.679162 546.6655 6.609351 4.893127       9.396526 
1 1 1 1  6  17 o 572.9196 5.509906 3287.216       63.23640      3341.767       99.53748      3232.666       78.07139      577.5841 8.616709 568.2551 6.869397 9.329041       11.01981 
1 1 1 1  6  18 o 312.6974 3.631416 978.3719       22.71296      981.2057       32.30540      975.5381       31.92992      313.1495 5.158144 312.2454 5.112954 0.9041443      7.262833 
1 1 1 1  6  19 f 60.51627 4.308989 37.46293       5.048427      26.58111       7.127024      48.33767       7.148279      51.52844 6.915623 69.50409 5.142344 -17.97565      8.617978 
1 1 1 1  6  20 o 105.2775 3.228583 111.0144       6.809639      118.1698       10.06710      103.8590       9.167366      108.6729 4.631835 101.8821 4.499009 6.790855       6.457165 
1 1 1 1  6  21 o 339.9172 5.697881 1159.027       38.82316      1236.248       57.95135      1081.097       51.66739      351.2955 8.248235 328.5389 7.863207 22.75659       11.39576 
1 1 1 1  6  22 o 160.6932 3.406276 258.5849       10.93141      245.3369       15.65678      271.8329       15.25297      156.5695 4.999948 164.8169 4.627245 -8.247437      6.812552 
1 1 1 1  6  23 o 206.8767 4.386600 429.1093       18.13637      400.7712       25.23505      457.4473       26.06394      200.0328 6.307729 213.7205 6.097670 -13.68771      8.773199 
1 1 1 1  6  24 o 461.7946 7.134223 2143.775       65.92852      2065.845       90.46929      2220.996       95.92437      453.4597 9.975450 470.1295 10.20191 -16.66974      14.26845 
1 1 1 1  6  25 o 349.5703 5.696015 1227.039       39.88583      1288.674       59.20531      1165.403       53.46686      358.3240 8.261421 340.8167 7.843933 17.50739       11.39203 
1 1 1 1  6  26 o 252.1170 4.584308 639.1652       23.15220      584.4728       31.09395      693.7868       34.30323      241.3227 6.442399 262.9113 6.523727 -21.58858      9.168616 
1 1 1 1  6  27 o 50.50037 7.239797 26.90700       7.297054      35.77682       11.40607      18.04427       9.110690      59.53288 9.579642 41.46785 10.85767 18.06504       14.47959 
1 1 1 1  6  28 o 270.9147 3.453284 736.0814       18.71021      742.4575       26.89283      729.7053       26.02852      272.0787 4.942104 269.7508 4.824550 2.327972       6.906568 
1 1 1 1  6  29 o 170.2725 2.935451 290.6778       9.989170      281.1136       14.16904      300.3127       14.09111      167.4525 4.230763 173.0925 4.070396 -5.640045      5.870902 
1 1 1 1  6  30 f 403.2127 4.552146 1638.649       36.71197      1624.480       51.68156      1652.818       52.14914      401.4700 6.436540 404.9554 6.438873 -3.485443      9.104292 
1 1 1 1  6  31 o 145.3727 2.877707 212.1105       8.366816      211.6854       11.97992      212.6064       11.68237      145.2073 4.125111 145.5381 4.013509 -0.3308411     5.755414 
1 1 1 1  6  32 o 256.9959 3.347792 664.5278       17.20829      643.9827       23.93150      685.0729       24.73914      253.0239 4.729098 260.9679 4.739881 -7.943970      6.695584 
1 1 1 1  6  33 o 68.94497 3.973135 48.01178       5.485542      50.58346       8.118857      45.44010       7.382068      70.77945 5.735321 67.11049 5.499936 3.668961       7.946270 
1 1 1 1  6  34 o 114.0273 3.101916 130.9219       7.073891      129.8592       10.21588      131.9846       9.783719      113.5443 4.498630 114.5102 4.271985 -0.9659576     6.203832 
1 1 1 1  6  35 o 76.95706 3.918042 60.02711       6.044511      64.66747       9.039845      55.38676       8.026759      79.91696 5.655774 73.99717 5.423693 5.919792       7.836084 
1 1 1 1  6  36 o 133.6698 3.403800 180.5135       9.096521      180.5135       13.36848      180.5135       12.34832      133.6154 5.002599 133.7243 4.617080 -0.1088867     6.807601 
1 1 1 1  6  37 o 115.6120 4.935977 0.000000       0.000000      ?              ?             135.4560       11.41316      ?        ?        115.6120 4.935977 ?              ?        
1 1 1 1  6  38 o 106.2209 3.521829 114.6983       7.467082      107.6138       10.69054      121.7120       10.42133      102.8820 5.195531 109.5597 4.756005 -6.677620      7.043659 
1 1 1 1  6  39 o 159.8897 3.114822 259.4350       9.967916      268.0073       14.40991      250.8628       13.76522      162.5172 4.433348 157.2623 4.376517 5.254974       6.229645 
1 1 1 1  6  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  41 o 33.25521 7.828822 12.88674       6.599228      21.96201       11.02351      3.809345       7.261631      42.51423 12.27793 23.99619 9.716699 18.51803       15.65764 
1 1 1 1  6  42 o 23.46310 7.149413 1.267420       6.320098      -1.233415      10.22296      3.768963       7.431659      23.24155 10.46254 23.68466 9.746370 -0.4431095     14.29883 
1 1 1 1  6  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  6  44 o 23.22128 7.021770 1.341099       6.395194      -6.782717      9.479085      9.464915       8.586436      18.87293 9.015289 27.56962 10.76780 -8.696693      14.04354 
1 1 1 1  6  45 o 24.16987 7.023493 5.290718       5.852520      0.2942909      8.777717      10.28672       7.743378      20.83191 9.491900 27.50784 10.35479 -6.675934      14.04699 
1 1 1 1  6  46 o 25.36860 6.840640 7.913406       5.573390      2.826723       8.961915      13.00009       6.628983      21.20112 9.641584 29.53607 9.706558 -8.334951      13.68128 
1 1 1 1  7  0  o 994.3530 10.19080 9897.071       202.6172      9897.071       202.6172      9897.071       202.6172      994.3530 10.19080 994.3530 10.19080 0.000000       0.000000 
1 1 1 1  7  1  o 645.5160 4.722095 4169.947       60.96936      4237.250       87.56464      4101.936       84.87252      650.7507 6.727972 640.2813 6.627753 10.46942       9.444190 
1 1 1 1  7  2  o 137.5301 1.473383 189.1566       4.052344      189.5109       5.739168      188.8024       5.723582      137.6589 2.084561 137.4014 2.082797 0.2575378      2.946767 
1 1 1 1  7  3  o 896.7520 6.508020 8048.012       116.7529      8048.012       164.9984      8055.097       165.1401      896.5550 9.201801 896.9490 9.205658 -0.3940430     13.01604 
1 1 1 1  7  4  o 470.1638 3.496112 2211.786       32.87216      2207.536       46.41776      2215.329       46.56654      469.7497 4.940691 470.5778 4.947804 -0.8281555     6.992224 
1 1 1 1  7  5  o 300.8068 2.354814 905.4014       14.16904      907.5267       20.09878      902.5676       19.97126      301.2188 3.336242 300.3949 3.324167 0.8239136      4.709629 
1 1 1 1  7  6  o 655.0175 5.181246 4296.052       67.90510      4273.381       88.41478      4318.722       103.0797      653.3514 6.766251 656.6835 7.848509 -3.332153      10.36249 
1 1 1 1  7  7  o 291.1436 2.484687 848.7253       14.55868      797.0083       17.87424      900.4422       22.98217      282.2743 3.166112 300.0129 3.830198 -17.73865      4.969374 
1 1 1 1  7  8  o 434.8605 3.501386 1893.692       30.38550      1794.508       43.83191      1992.875       42.10329      423.4502 5.175569 446.2708 4.717235 -22.82059      7.002772 
1 1 1 1  7  9  o 122.2955 1.667379 149.6250       4.084224      144.8784       5.412572      154.3716       6.118898      120.3561 2.248566 124.2348 2.462634 -3.878731      3.334759 
1 1 1 1  7  10 o 615.1438 4.517648 3789.509       55.58513      3758.337       78.00054      3819.972       79.20491      612.6452 6.365882 617.6424 6.411875 -4.997192      9.035296 
1 1 1 1  7  11 f 101.6417 1.532046 103.3631       3.114354      103.7173       4.366188      102.9380       4.441993      101.8335 2.143788 101.4499 2.189255 0.3836441      3.064093 
1 1 1 1  7  12 o 289.2498 2.289034 836.6816       13.24805      852.9760       19.05735      821.0956       18.39849      292.0034 3.263207 286.4962 3.210948 5.507141       4.578069 
1 1 1 1  7  13 o 468.9055 3.495536 2200.451       32.78715      2229.498       46.96327      2171.405       45.75890      471.9982 4.974941 465.8127 4.911727 6.185486       6.991073 
1 1 1 1  7  14 o 218.0063 1.848599 475.3712       8.062181      481.7472       11.54068      468.9951       11.25730      219.4682 2.629238 216.5444 2.599305 2.923767       3.697198 
1 1 1 1  7  15 o 342.7188 2.828401 1174.613       19.38324      1170.362       29.06778      1179.572       25.64596      342.0396 4.249183 343.3979 3.734146 -1.358246      5.656801 
1 1 1 1  7  16 o 422.3197 3.445073 1785.299       29.03944      1723.663       42.85425      1846.225       39.20572      415.0552 5.162476 429.5842 4.563217 -14.52899      6.890146 
1 1 1 1  7  17 o 248.3611 4.451336 0.000000       0.000000      ?              ?             617.1323       22.11078      ?        ?        248.3611 4.451336 ?              ?        
1 1 1 1  7  18 o 240.4353 2.381765 578.3800       11.45567      594.8161       16.58486      561.8731       15.81264      243.8593 3.400497 237.0113 3.335842 6.847992       4.763531 
1 1 1 1  7  19 o 233.4055 3.719505 545.2245       17.29331      535.6604       29.30157      554.7886       18.37724      231.3194 6.333572 235.4916 3.901888 -4.172180      7.439010 
1 1 1 1  7  20 o 302.6396 5.296567 917.4451       32.07870      940.1155       47.08371      894.7746       43.59104      306.3673 7.684192 298.9120 7.291618 7.455383       10.59313 
1 1 1 1  7  21 o 453.6852 7.174451 2068.679       65.41843      1864.645       84.16407      2273.422       100.1751      431.2682 9.757740 476.1021 10.52034 -44.83380      14.34890 
1 1 1 1  7  22 o 500.0444 7.703927 2510.753       77.07955      2480.290       108.2514      2541.925       109.6683      496.9766 10.89100 503.1121 10.89900 -6.135468      15.40785 
1 1 1 1  7  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  24 o 470.4150 5.164334 2218.163       48.58562      2211.078       68.76942      2225.956       68.65606      469.6234 7.321763 471.2066 7.285134 -1.583252      10.32867 
1 1 1 1  7  25 o 602.9587 6.442654 3654.903       77.71716      3732.833       112.2188      3576.265       107.5430      609.3850 9.207542 596.5325 9.014008 12.85248       12.88531 
1 1 1 1  7  26 o 235.1964 3.252726 554.5760       15.30256      529.0718       21.22522      580.0803       22.04702      229.7834 4.618526 240.6093 4.581497 -10.82590      6.505452 
1 1 1 1  7  27 o 204.5733 4.295939 0.000000       0.000000      ?              ?             419.3326       17.57669      ?        ?        204.5733 4.295939 ?              ?        
1 1 1 1  7  28 o 263.8934 3.434358 698.4626       18.12220      690.5279       25.71680      706.4681       25.54677      262.3807 4.900665 265.4061 4.812769 -3.025391      6.868717 
1 1 1 1  7  29 o 359.7302 4.201709 1301.426       30.22964      1276.630       42.30874      1325.513       43.19431      356.3528 5.936356 363.1075 5.947867 -6.754700      8.403419 
1 1 1 1  7  30 o 149.0827 4.096287 0.000000       0.000000      ?              ?             223.0206       12.21371      ?        ?        149.0827 4.096287 ?              ?        
1 1 1 1  7  31 o 36.21885 6.419004 14.05568       4.812513      19.80123       7.219123      8.310139       6.363315      43.39655 8.623983 29.04115 9.510068 14.35539       12.83801 
1 1 1 1  7  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  33 o 30.85777 8.449568 6.101895       7.672533      11.39190       11.35648      0.8125942      10.31506      35.29723 12.64378 26.41831 11.21230 8.878925       16.89914 
1 1 1 1  7  34 o 146.6237 4.464141 218.1323       13.09219      204.9551       18.00176      231.3095       19.02193      142.1855 6.330377 151.0618 6.296075 -8.876282      8.928283 
1 1 1 1  7  35 o 72.15430 7.246787 56.85326       9.549930      35.35883       13.56685      78.35477       13.44641      56.80355 12.28950 87.50506 7.683222 -30.70151      14.49357 
1 1 1 1  7  36 o 79.19456 7.972934 66.73616       12.65295      69.30075       19.14945      64.17865       16.54235      80.44394 11.90236 77.94518 10.61153 2.498764       15.94587 
1 1 1 1  7  37 o 104.0229 5.675948 112.0062       11.81698      114.0607       17.66879      109.9517       15.69929      104.7960 8.430089 103.2498 7.602576 1.546158       11.35190 
1 1 1 1  7  38 f 66.64803 7.329726 48.28807       9.500339      55.76224       13.83606      40.81391       13.02134      72.56585 9.533454 60.73019 11.13610 11.83566       14.65945 
1 1 1 1  7  39 o 131.0583 4.194720 176.5462       11.00226      174.4208       13.08510      178.6715       17.69004      130.7816 5.002656 131.3351 6.734696 -0.5535278     8.389441 
1 1 1 1  7  40 o 62.97603 6.111803 43.22973       7.842561      32.48960       9.075267      53.96986       12.80172      55.22950 8.215960 70.72256 9.050665 -15.49305      12.22361 
1 1 1 1  7  41 o 63.30595 4.830481 42.30166       6.101187      44.97960       8.508506      39.62371       8.742295      65.46766 6.498251 61.14424 7.148911 4.323418       9.660962 
1 1 1 1  7  42 o 28.64230 6.844519 6.272632       5.787343      17.74672       8.281801      -5.199328      8.083434      38.40007 10.48974 18.88452 8.795181 19.51555       13.68904 
1 1 1 1  7  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  7  44 o 40.26350 6.361140 20.03502       5.151153      15.19629       7.502505      24.86666       7.059722      33.95418 10.21820 46.57282 7.579230 -12.61864      12.72228 
1 1 1 1  7  45 o 32.30427 6.779712 14.36032       4.717580      16.40774       7.003754      12.30581       6.321515      34.54680 9.726006 30.06174 9.447898 4.485064       13.55942 
1 1 1 1  7  46 o 44.13483 5.777663 25.50426       4.952786      23.43558       7.254546      27.56586       6.743752      40.95298 9.096316 47.31668 7.126190 -6.363701      11.55533 
1 1 1 1  8  0  o 197.0002 2.518261 388.3024       9.918325      388.3024       9.918325      388.3024       9.918325      197.0002 2.518261 197.0002 2.518261 -0.000000      0.000000 
1 1 1 1  8  1  o 70.56786 1.702952 49.81124       2.403777      48.55729       3.344601      51.06521       3.453702      69.67950 2.399989 71.45621 2.416656 -1.776718      3.405903 
1 1 1 1  8  2  o 476.4258 3.557642 2270.588       33.89942      2290.425       48.33767      2251.460       47.54420      478.4686 5.051289 474.3831 5.011161 4.085541       7.115283 
1 1 1 1  8  3  o 233.9537 1.979005 547.4915       9.259464      554.5760       13.23388      540.3362       12.95758      235.4750 2.810040 232.4325 2.787386 3.042480       3.958010 
1 1 1 1  8  4  o 409.5640 3.343564 1678.322       27.39583      1670.529       35.76973      1686.115       41.50819      408.6286 4.376802 410.4994 5.055816 -1.870789      6.687128 
1 1 1 1  8  5  o 396.6631 3.012356 1574.180       23.89608      1567.095       33.64437      1581.264       33.94901      395.7709 4.250486 397.5552 4.269722 -1.784302      6.024712 
1 1 1 1  8  6  o 434.0414 3.268753 1885.190       28.38058      1915.654       40.71472      1854.727       39.54578      437.5468 4.652613 430.5360 4.592622 7.010864       6.537506 
1 1 1 1  8  7  o 80.04344 1.883107 64.10780       3.024381      66.43861       4.711204      61.76991       3.795176      81.49982 2.890316 78.58707 2.414632 2.912750       3.766215 
1 1 1 1  8  8  o 427.2744 3.225702 1827.097       27.57294      1873.146       39.90000      1781.048       38.07220      432.6566 4.611047 421.8921 4.512078 10.76459       6.451403 
1 1 1 1  8  9  o 182.5152 1.722827 333.2557       6.291052      323.4082       8.678535      343.1032       9.110690      179.8184 2.413139 185.2121 2.459529 -5.393707      3.445653 
1 1 1 1  8  10 f 195.0795 2.007957 380.7220       7.835476      392.4823       11.32814      369.0325       10.83223      198.0834 2.859438 192.0755 2.819783 6.007858       4.015914 
1 1 1 1  8  11 o 361.3395 2.784865 1306.385       20.12712      1299.301       28.30265      1313.470       28.62145      360.3603 3.926993 362.3187 3.949762 -1.958405      5.569730 
1 1 1 1  8  12 o 285.7988 2.299536 816.8449       13.14886      836.6816       18.97234      797.7167       18.20721      289.2053 3.280082 282.3924 3.223743 6.812897       4.599072 
1 1 1 1  8  13 o 128.6720 1.724459 165.6360       4.424282      160.1809       6.743752      171.0911       5.728541      126.5506 2.664449 130.7934 2.189920 -4.242813      3.448918 
1 1 1 1  8  14 o 243.6464 2.779055 593.8242       13.52434      600.2004       16.80448      587.5190       21.19688      244.9573 3.430083 242.3355 4.373456 2.621780       5.558110 
1 1 1 1  8  15 o 132.7333 1.669507 176.4045       4.439867      165.4943       5.939660      187.2438       6.601354      128.6377 2.308678 136.8290 2.412264 -8.191345      3.339014 
1 1 1 1  8  16 o 240.4370 2.485821 578.3800       11.97992      564.9903       15.18921      591.6989       18.52601      237.6668 3.195484 243.2072 3.808689 -5.540466      4.971643 
1 1 1 1  8  17 o 622.4799 5.920345 3881.607       73.96236      3773.923       90.39845      3989.292       117.0362      613.9534 7.361997 631.0063 9.273777 -17.05292      11.84069 
1 1 1 1  8  18 o 179.0628 2.239017 321.5663       8.097604      354.0133       12.92925      289.0483       9.762465      188.1272 3.436304 169.9983 2.871342 18.12891       4.478034 
1 1 1 1  8  19 o 234.9022 2.551065 552.0256       12.01534      564.1402       19.19196      539.9819       14.47367      237.4613 4.041071 232.3431 3.114719 5.118164       5.102129 
1 1 1 1  8  20 o 662.4229 5.683021 4395.235       75.30843      4456.162       108.1097      4335.017       104.8509      666.9780 8.104446 657.8677 7.968992 9.110229       11.36604 
1 1 1 1  8  21 f 695.1669 6.702939 4845.811       93.09056      4793.385       143.4615      4898.236       118.6657      691.2197 10.37742 699.1141 8.486860 -7.894348      13.40588 
1 1 1 1  8  22 o 430.5474 4.851476 1857.561       41.77740      1826.389       58.36934      1888.024       59.79333      426.9779 6.835171 434.1169 6.886778 -7.138947      9.702952 
1 1 1 1  8  23 o 573.6162 6.158895 3302.094       70.68223      3356.645       101.7337      3247.543       98.12057      578.3350 8.795394 568.8975 8.623748 9.437439       12.31779 
1 1 1 1  8  24 o 169.2351 3.123261 286.7813       10.56302      276.2253       15.05460      297.3372       14.82081      166.1151 4.531375 172.3551 4.299498 -6.240005      6.246522 
1 1 1 1  8  25 f 216.5780 4.505962 0.000000       0.000000      ?              ?             469.7744       19.51785      ?        ?        216.5780 4.505962 ?              ?        
1 1 1 1  8  26 o 352.9520 4.162858 1250.417       29.38658      1236.957       41.33816      1263.170       41.77740      351.1017 5.886922 354.8022 5.887421 -3.700562      8.325717 
1 1 1 1  8  27 o 76.48151 4.263323 58.85109       6.537593      63.95194       9.769550      53.74315       8.685618      79.79990 6.121280 73.16311 5.935791 6.636795       8.526646 
1 1 1 1  8  28 o 355.0154 5.985346 1272.380       42.50002      1285.840       60.91269      1258.919       59.29033      356.8657 8.534400 353.1652 8.394135 3.700439       11.97069 
1 1 1 1  8  29 f 148.5060 4.463051 222.3121       13.28347      237.7564       19.81540      206.7971       17.69713      153.6621 6.447719 143.3499 6.172700 10.31213       8.926103 
1 1 1 1  8  30 o 195.4981 4.489147 385.5395       17.54835      384.4768       25.07919      386.6730       24.56202      195.1992 6.423999 195.7969 6.272321 -0.5977020     8.978294 
1 1 1 1  8  31 o 233.3277 4.752699 550.3254       22.18163      560.2437       31.93701      540.4070       30.79640      235.4075 6.783347 231.2480 6.658738 4.159454       9.505398 
1 1 1 1  8  32 o 150.4842 4.495683 229.1841       13.53143      232.0180       19.45408      226.3504       18.81648      151.3956 6.424918 149.5727 6.290078 1.822891       8.991365 
1 1 1 1  8  33 o 76.62094 4.234460 59.60913       6.441244      52.07121       9.181536      67.14706       9.039845      71.69527 6.403166 81.54660 5.542748 -9.851326      8.468920 
1 1 1 1  8  34 o 43.71162 7.083989 20.50968       6.073557      21.09769       9.054014      19.92166       8.097604      44.27797 10.39139 43.14527 9.630715 1.132702       14.16798 
1 1 1 1  8  35 o 56.71141 6.186186 33.77190       6.737377      28.28139       9.776634      39.26240       9.273635      51.43826 9.854756 61.98457 7.480598 -10.54631      12.37237 
1 1 1 1  8  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  8  37 o 77.36009 5.030420 61.93994       7.665448      51.51862       11.08019      72.33293       10.59135      70.58640 7.848670 84.13377 6.294354 -13.54737      10.06084 
1 1 1 1  8  38 o 184.3432 3.396051 345.1577       12.52543      352.2422       18.14345      338.1440       17.27205      186.1840 4.872451 182.5025 4.732006 3.681580       6.792103 
1 1 1 1  8  39 o 122.8329 3.583996 154.3008       8.813140      157.4180       12.86548      151.1128       12.03660      124.0249 5.186655 121.6408 4.947597 2.384033       7.167992 
1 1 1 1  8  40 o 18.61028 6.130513 -6.024674      5.586851      -5.327558      8.161365      -6.721791      7.637110      19.33173 8.939284 17.88884 8.391777 1.442892       12.26103 
1 1 1 1  8  41 o 111.3759 3.637039 128.2298       8.097604      124.8292       11.51234      131.7012       11.39190      109.8136 5.241765 112.9382 5.043422 -3.124649      7.274077 
1 1 1 1  8  42 o 63.74913 5.206144 44.02319       6.597104      38.57520       9.287803      49.47119       9.372816      59.49902 7.805005 67.99924 6.891855 -8.500217      10.41229 
1 1 1 1  8  43 o 28.84358 6.796327 7.991336       5.768923      20.50968       8.607689      -4.526299      7.679617      39.62365 10.63649 18.06351 8.463174 21.56014       13.59265 
1 1 1 1  8  44 o 37.51493 6.619301 18.24972       5.333934      9.904156       7.459997      26.60237       7.622942      27.99983 10.22595 47.03003 8.407764 -19.03020      13.23860 
1 1 1 1  8  45 o 46.76731 5.860979 27.56586       5.333934      24.25031       7.474166      30.88141       7.608772      42.94429 8.991892 50.59034 7.519986 -7.646053      11.72196 
1 1 1 1  8  46 o 65.94962 4.301125 51.52570       5.650611      47.74257       8.090520      55.30175       7.885069      62.92935 6.428257 68.96989 5.716312 -6.040539      8.602250 
1 1 1 1  9  0  o 361.5339 3.968226 1307.802       28.68521      1307.802       28.68521      1307.802       28.68521      361.5339 3.968226 361.5339 3.968226 0.000000       0.000000 
1 1 1 1  9  1  o 202.8590 1.861319 411.6105       7.552096      417.2781       10.78972      405.9429       10.57010      204.2555 2.641231 201.4624 2.623343 2.793137       3.722638 
1 1 1 1  9  2  o 372.9767 2.880287 1392.108       21.48734      1380.064       30.13754      1403.443       30.63345      371.4110 4.057168 374.5424 4.089451 -3.131409      5.760575 
1 1 1 1  9  3  o 141.0300 1.634998 198.9332       4.612021      196.2411       6.456121      201.6254       6.587893      140.0758 2.304510 141.9843 2.319937 -1.908478      3.269996 
1 1 1 1  9  4  o 155.0437 1.793434 240.4485       5.566306      244.6992       8.423491      236.1978       7.282885      156.4124 2.692719 153.6749 2.369575 2.737473       3.586867 
1 1 1 1  9  5  o 188.5466 1.805357 355.5720       6.808222      352.7381       9.564099      358.4058       9.691620      187.7953 2.546415 189.2979 2.559886 -1.502518      3.610713 
1 1 1 1  9  6  o 120.9477 1.722759 146.3661       4.177740      140.6277       5.420364      152.1046       6.359063      118.5772 2.285585 123.3183 2.578313 -4.741127      3.445518 
1 1 1 1  9  7  o 243.1128 2.083087 591.3447       10.13086      607.3557       14.62245      575.2629       14.02734      246.4117 2.967077 239.8140 2.924630 6.597626       4.166173 
1 1 1 1  9  8  o 421.1237 3.206153 1774.672       27.00618      1780.339       38.28473      1769.004       38.09346      421.7959 4.538301 420.4515 4.530065 1.344360       6.412306 
1 1 1 1  9  9  o 399.6432 3.060658 1598.267       24.46993      1577.014       34.18280      1619.521       35.01168      396.9873 4.305276 402.2991 4.351450 -5.311829      6.121317 
1 1 1 1  9  10 o 595.7084 4.406455 3553.594       52.51044      3524.548       73.67899      3582.641       74.81251      593.2767 6.209496 598.1402 6.253761 -4.863525      8.812909 
1 1 1 1  9  11 o 443.1532 3.856777 1965.954       34.18988      2009.169       49.34367      1922.738       47.34583      448.0204 5.506855 438.2860 5.401248 9.734406       7.713555 
1 1 1 1  9  12 o 371.4617 3.286724 1380.773       24.42033      1406.277       35.12504      1355.268       33.94193      374.8908 4.684702 368.0325 4.611268 6.858368       6.573449 
1 1 1 1  9  13 o 708.8047 5.987759 5032.841       84.94337      5119.272       122.0662      4946.411       118.0281      714.8817 8.537514 702.7278 8.397851 12.15393       11.97552 
1 1 1 1  9  14 o 99.03452 2.411203 98.47480       4.772131      86.92703       6.491544      109.9517       6.996669      93.22311 3.481725 104.8459 3.336644 -11.62282      4.822406 
1 1 1 1  9  15 o 619.8126 4.933944 3846.185       61.13939      3819.264       91.67366      3872.397       80.90520      617.6284 7.421426 621.9969 6.503665 -4.368591      9.867888 
1 1 1 1  9  16 o 20.03041 4.232174 3.316971       2.155110      6.902445       2.927323      -0.2680781     3.163237      25.74934 5.820485 14.31147 6.145500 11.43787       8.464349 
1 1 1 1  9  17 f 127.0236 1.624921 161.4562       4.130274      155.5760       5.678241      167.2655       5.999169      124.7234 2.276334 129.3239 2.319436 -4.600525      3.249843 
1 1 1 1  9  18 o 621.3536 4.591413 3865.313       57.07287      3897.902       81.40111      3832.724       79.98421      623.9698 6.522840 618.7375 6.463501 5.232361       9.182826 
1 1 1 1  9  19 o 245.8598 2.641736 604.6636       12.99301      603.9551       18.22846      605.4429       18.51184      245.7092 3.709357 246.0104 3.762412 -0.3011322     5.283472 
1 1 1 1  9  20 o 568.1201 4.014713 3230.540       45.58179      3183.074       67.24624      3278.006       61.55738      563.9212 5.962380 572.3190 5.377891 -8.397766      8.029426 
1 1 1 1  9  21 o 177.0907 1.913219 313.7733       6.825933      325.8878       11.42733      301.7296       7.467082      180.4919 3.165606 173.6896 2.149548 6.802338       3.826437 
1 1 1 1  9  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  23 o 571.3323 7.558113 3281.549       86.14774      3238.333       139.6358      3325.473       100.9544      567.0389 12.31272 575.6257 8.769100 -8.586792      15.11623 
1 1 1 1  9  24 o 224.1463 4.783029 503.7801       21.45192      514.6902       31.00894      492.8699       29.64162      226.5669 6.843217 221.7258 6.684299 4.841187       9.566058 
1 1 1 1  9  25 o 176.4639 4.694599 314.2692       16.62736      359.4684       25.29881      269.0700       21.58652      189.2151 6.685197 163.7126 6.592812 25.50255       9.389197 
1 1 1 1  9  26 o 142.3543 4.740316 204.3175       13.48892      179.4508       18.29222      229.2550       19.82248      133.6344 6.844129 151.0742 6.560510 -17.43980      9.480633 
1 1 1 1  9  27 o 139.8894 4.694880 196.8079       13.14178      205.8761       19.17071      187.8106       17.98759      143.0941 6.698638 136.6847 6.579956 6.409317       9.389759 
1 1 1 1  9  28 o 408.4759 6.676490 1679.031       54.54370      1679.031       54.54370      ?              ?             408.4759 6.676490 ?        ?        ?              ?        
1 1 1 1  9  29 o 174.0212 4.522954 303.9966       15.74180      303.9966       15.74180      ?              ?             174.0212 4.522954 ?        ?        ?              ?        
1 1 1 1  9  30 o 157.7552 3.192890 250.5085       10.06001      228.7591       14.02026      272.2580       14.42408      150.8723 4.646401 164.6381 4.380541 -13.76584      6.385780 
1 1 1 1  9  31 o 221.1557 3.341215 491.8781       14.78539      498.9626       21.42358      484.8644       20.37507      222.7178 4.809581 219.5936 4.639267 3.124130       6.682430 
1 1 1 1  9  32 o 43.83349 6.908539 20.53093       5.912738      22.45084       8.529759      18.61811       8.189702      45.93939 9.596113 41.72758 9.941140 4.211811       13.81708 
1 1 1 1  9  33 o 173.4353 3.266389 303.1465       11.33523      314.1275       16.45733      292.2364       15.59302      176.5553 4.660676 170.3153 4.577694 6.239975       6.532777 
1 1 1 1  9  34 o 176.5678 3.302086 314.5526       11.65403      296.7704       16.25897      332.3347       16.70529      171.5518 4.738792 181.5839 4.599883 -10.03206      6.604171 
1 1 1 1  9  35 o 20.31948 6.731418 -9.160281      6.882609      -6.269090      10.44258      -12.05785      8.969000      22.55092 10.29853 18.08803 8.671111 4.462887       13.46284 
1 1 1 1  9  36 o 103.6602 4.729508 110.5893       9.819141      124.3333       14.63661      96.91621       13.08510      110.1243 6.645499 97.19606 6.731294 12.92820       9.459016 
1 1 1 1  9  37 o 144.7843 3.558378 212.8898       10.32214      223.5165       15.26005      202.1921       13.89274      148.3662 5.142698 141.2025 4.919439 7.163727       7.116757 
1 1 1 1  9  38 o 33.78218 8.146777 12.00117       6.610563      12.32706       9.727042      11.67529       8.954830      34.25040 11.75608 33.31396 11.28160 0.9364395      16.29355 
1 1 1 1  9  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  9  40 o 107.5011 3.838057 119.7283       8.267632      133.9682       12.39791      105.4885       10.94558      113.9078 5.442078 101.0943 5.413548 12.81352       7.676113 
1 1 1 1  9  41 o 48.89669 6.722572 27.87049       6.344894      19.87916       9.252379      35.85475       8.685618      40.28509 11.12407 57.50829 7.551623 -17.22320      13.44514 
1 1 1 1  9  42 o 76.16556 5.269866 66.27567       8.019674      63.73941       11.38482      68.80483       11.29981      74.46243 7.644675 77.86870 7.255679 -3.406273      10.53973 
1 1 1 1  9  43 o 33.38051 9.109136 15.23171       8.876901      9.365732       12.36957      21.10478       12.74505      29.28318 12.34554 37.47784 13.39750 -8.194662      18.21827 
1 1 1 1  9  44 o 62.65143 4.950153 44.88750       6.202496      45.36926       8.728126      44.41284       8.813140      63.07668 6.918664 62.22618 7.081537 0.8504944      9.900307 
1 1 1 1  9  45 o 49.80510 5.636570 31.33482       5.383525      38.73106       7.892153      23.93150       7.325392      57.16022 6.903535 42.44997 8.912064 14.71026       11.27314 
1 1 1 1  10 0  o 585.8538 6.150629 3435.283       72.04955      3435.283       72.04955      3435.283       72.04955      585.8538 6.150629 585.8538 6.150629 0.000000       0.000000 
1 1 1 1  10 1  o 561.6960 4.178995 3158.278       46.94910      3143.401       66.08438      3173.156       66.70074      560.3744 5.896450 563.0177 5.923503 -2.643311      8.357990 
1 1 1 1  10 2  o 346.9589 2.737115 1204.368       18.99359      1192.324       26.60945      1216.412       27.11245      345.2247 3.853932 348.6930 3.887725 -3.468323      5.474230 
1 1 1 1  10 3  o 56.67072 2.355450 32.14246       2.666612      33.58061       3.738500      30.70430       3.803678      57.93975 3.226196 55.40169 3.432817 2.538067       4.710900 
1 1 1 1  10 4  o 146.7233 1.890671 215.3693       5.533717      209.1350       8.338477      221.6037       7.282885      144.5966 2.883359 148.8500 2.446384 -4.253372      3.781343 
1 1 1 1  10 5  o 240.5642 2.290816 579.2302       11.07310      551.7422       13.79356      606.7181       17.32165      234.8600 2.936548 246.2684 3.516822 -11.40843      4.581632 
1 1 1 1  10 6  f 389.2405 3.014048 1516.087       23.46392      1540.883       33.67979      1491.291       32.68797      392.4221 4.291271 386.0588 4.233548 6.363342       6.028096 
1 1 1 1  10 7  o 297.7947 2.794419 887.6901       16.65570      850.1422       22.70588      925.2380       24.37783      291.4960 3.894715 304.0934 4.008280 -12.59735      5.588838 
1 1 1 1  10 8  o 149.0399 2.140503 222.2413       6.376066      224.2959       8.303054      220.1160       9.677451      149.7447 2.772403 148.3351 3.262024 1.409622       4.281007 
1 1 1 1  10 9  o 367.6635 3.304468 1352.434       24.29990      1352.434       34.38116      1353.143       34.34575      367.6151 4.676244 367.7118 4.670199 -0.9661865E-01 6.608935 
1 1 1 1  10 10 o 292.2752 3.035487 855.1013       17.75380      850.8506       22.56419      858.6436       27.41000      291.6249 3.868701 292.9255 4.678663 -1.300629      6.070975 
1 1 1 1  10 11 o 157.1049 1.958639 246.9663       6.153612      254.6176       8.834394      239.2442       8.572267      159.5507 2.768522 154.6590 2.771344 4.891724       3.917277 
1 1 1 1  10 12 f 621.1385 4.599005 3861.771       57.15081      3814.304       79.84251      3909.945       81.75533      617.2964 6.467113 624.9807 6.540629 -7.684265      9.198009 
1 1 1 1  10 13 o 386.2383 2.997371 1492.000       23.15929      1492.000       32.68797      1492.708       32.80132      386.1927 4.232080 386.2838 4.245753 -0.9118652E-01 5.994742 
1 1 1 1  10 14 o 352.2241 3.017343 1241.208       21.22522      1264.586       28.16096      1217.829       31.77406      355.5510 3.960186 348.8972 4.553500 6.653839       6.034686 
1 1 1 1  10 15 o 167.3436 1.791674 280.1219       5.997045      282.1055       8.480167      278.0673       8.480167      167.9468 2.524659 166.7403 2.542927 1.206543       3.583348 
1 1 1 1  10 16 o 330.2384 3.089233 1091.016       20.40341      1096.683       28.98985      1085.348       28.72064      331.0959 4.377862 329.3809 4.359791 1.714996       6.178467 
1 1 1 1  10 17 o 515.4789 3.871717 2658.820       39.91418      2663.779       56.54862      2654.569       56.35026      515.9249 5.480316 515.0329 5.470549 0.8919678      7.743434 
1 1 1 1  10 18 o 273.6247 2.485929 749.5420       13.58102      775.0463       18.57561      723.3293       19.82248      278.3530 3.336700 268.8965 3.685894 9.456482       4.971859 
1 1 1 1  10 19 o 538.1547 4.360495 2898.985       46.91368      2876.314       70.30676      2921.655       62.11705      536.0159 6.558271 540.2935 5.748455 -4.277527      8.720989 
1 1 1 1  10 20 o 121.1814 2.168396 146.8620       5.253878      148.6332       7.098687      145.1618       7.743378      121.8991 2.911706 120.4637 3.213989 1.435402       4.336791 
1 1 1 1  10 21 o 157.1171 1.941235 246.8955       6.099061      247.7456       8.501422      246.1162       8.749379      157.3770 2.700973 156.8572 2.788964 0.5198669      3.882470 
1 1 1 1  10 22 o 102.3321 1.848095 104.9217       3.851144      113.3523       6.664406      96.49113       3.860354      106.4430 3.130506 98.22115 1.965134 8.221817       3.696189 
1 1 1 1  10 23 o 139.6669 1.811079 195.1076       5.074640      198.0831       8.593520      192.2030       5.401237      140.7095 3.053639 138.6243 1.948157 2.085236       3.622158 
1 1 1 1  10 24 o 206.8093 3.081070 428.4008       12.69546      414.1609       19.62411      442.6407       16.11728      203.3393 4.825460 210.2793 3.832350 -6.939972      6.162141 
1 1 1 1  10 25 o 152.5611 4.887522 233.2932       14.91291      233.2932       14.91291      ?              ?             152.5611 4.887522 ?        ?        ?              ?        
1 1 1 1  10 26 o 289.6054 3.792527 841.6407       21.98326      797.0083       30.09503      886.9816       32.04327      281.8675 5.338507 297.3433 5.388263 -15.47574      7.585053 
1 1 1 1  10 27 o 111.0019 3.671552 123.6957       8.161365      130.2843       11.97283      117.1779       11.08727      113.9388 5.254064 108.0649 5.129912 5.873901       7.343105 
1 1 1 1  10 28 o 357.9026 4.306333 1288.674       30.83891      1328.347       44.86625      1249.000       42.32999      363.3847 6.173382 352.4204 6.005610 10.96423       8.612665 
1 1 1 1  10 29 f 104.4981 3.688514 110.0226       7.693786      100.5293       10.83223      119.5158       10.91724      99.95810 5.418385 109.0381 5.006160 -9.079987      7.377028 
1 1 1 1  10 30 o 78.20802 5.888062 0.000000       0.000000      ?              ?             61.66364       9.209873      ?        ?        78.20802 5.888062 ?              ?        
1 1 1 1  10 31 o 215.5628 3.359675 467.7199       14.48075      454.1176       20.57344      481.3930       20.37507      212.3928 4.843253 218.7327 4.657527 -6.339966      6.719350 
1 1 1 1  10 32 o 51.46622 8.094040 0.000000       0.000000      ?              ?             26.99910       8.331393      ?        ?        51.46622 8.094040 ?              ?        
1 1 1 1  10 33 o 52.85977 6.044949 29.27323       6.230125      34.54411       9.252379      24.00235       8.352647      58.13877 7.957152 47.58077 9.102161 10.55799       12.08990 
1 1 1 1  10 34 f 65.60258 7.305621 0.000000       0.000000      ?              ?             43.94526       9.585353      ?        ?        65.60258 7.305621 ?              ?        
1 1 1 1  10 35 o 145.8316 4.072022 216.1487       11.89491      226.8463       17.66879      205.4510       15.93308      149.3809 5.914004 142.2823 5.599108 7.098618       8.144044 
1 1 1 1  10 36 f 151.0240 3.757900 231.6637       11.36357      236.7646       16.84698      226.4920       15.24588      152.6084 5.519677 149.4395 5.101022 3.168930       7.515801 
1 1 1 1  10 37 o 145.7424 3.592053 216.1487       10.45675      199.9959       14.59411      232.3013       14.98375      140.2319 5.203561 151.2528 4.953215 -11.02092      7.184106 
1 1 1 1  10 38 o 26.67076 7.438191 2.925906       6.419991      -4.126731      9.521592      9.982086       8.614774      21.96995 9.977038 31.37158 11.03474 -9.401627      14.87638 
1 1 1 1  10 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 40 o 97.34121 4.101993 98.61649       7.991336      106.9054       11.74613      90.32761       10.83931      101.4467 5.789311 93.23572 5.812854 8.210983       8.203986 
1 1 1 1  10 41 o 40.14684 7.519619 19.80123       6.208163      24.12278       9.358648      15.47967       8.161365      44.59645 10.62844 35.69724 10.64025 8.899212       15.03924 
1 1 1 1  10 42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  10 44 o 37.54323 7.349385 19.65954       5.713664      20.36799       8.040927      18.95817       8.118857      38.40921 10.26675 36.67725 10.51892 1.731964       14.69877 
1 1 1 1  10 45 o 57.33822 5.003929 40.07003       5.669031      30.54844       7.559181      49.59163       8.451830      49.67556 7.608551 65.00088 6.501320 -15.32531      10.00786 
1 1 1 1  11 0  o 322.6125 3.698028 1041.424       23.85357      1041.424       23.85357      1041.424       23.85357      322.6125 3.698028 322.6125 3.698028 0.000000       0.000000 
1 1 1 1  11 1  o 223.0195 2.051923 497.5457       9.153197      497.4749       12.94341      497.5457       12.94341      223.0116 2.901960 223.0275 2.901753 -0.1589966E-01 4.103845 
1 1 1 1  11 2  o 333.6347 2.682740 1113.686       17.90258      1098.809       25.00835      1128.564       25.62470      331.4070 3.773057 335.8624 3.814762 -4.455444      5.365479 
1 1 1 1  11 3  o 93.23830 2.201629 86.92703       4.105478      86.36028       5.773174      87.56464       5.839059      92.91553 3.106678 93.56106 3.120454 -0.6455231     4.403258 
1 1 1 1  11 4  o 189.5685 2.184025 359.4684       8.281801      365.7028       11.88074      353.3049       11.54068      191.2026 3.106845 187.9343 3.070402 3.268280       4.368050 
1 1 1 1  11 5  o 499.9205 4.351091 2502.252       43.50602      2538.383       62.36501      2466.829       60.68597      503.4898 6.193274 496.3512 6.113210 7.138641       8.702183 
1 1 1 1  11 6  o 442.4769 3.901023 1960.286       34.55119      2033.257       50.51261      1888.024       47.14746      450.6661 5.604217 434.2877 5.428138 16.37845       7.802046 
1 1 1 1  11 7  o 408.6052 3.638294 1671.946       29.74789      1726.497       43.34308      1616.687       40.76431      415.3121 5.218133 401.8983 5.071471 13.41376       7.276588 
1 1 1 1  11 8  o 144.6112 1.804225 209.2058       5.217039      214.7317       7.410406      203.6799       7.346645      146.5217 2.528774 142.7007 2.574144 3.820938       3.608451 
1 1 1 1  11 9  o 111.1820 1.866149 123.6248       4.148693      126.8129       5.866689      120.5076       5.867398      112.5998 2.605106 109.7643 2.672727 2.835533       3.732298 
1 1 1 1  11 10 o 596.0767 4.441137 3557.845       52.97094      3659.154       76.93786      3455.828       72.82884      604.5873 6.362841 587.5660 6.197504 17.02136       8.882275 
1 1 1 1  11 11 o 304.5381 2.514306 928.0718       15.31673      934.4479       21.74947      920.9873       21.56527      305.6427 3.557989 303.4335 3.553542 2.209229       5.028613 
1 1 1 1  11 12 o 600.8431 4.470961 3613.104       53.72898      3625.856       76.22942      3600.352       75.73349      601.9026 6.332371 599.7835 6.313403 2.119141       8.941922 
1 1 1 1  11 13 o 239.0663 2.565776 571.7206       12.27038      559.1102       17.08077      584.4019       17.61920      236.4225 3.612341 241.7101 3.644696 -5.287613      5.131552 
1 1 1 1  11 14 o 684.3254 5.054710 4688.534       69.19449      4687.826       97.83719      4689.951       97.83719      684.2478 7.149251 684.4031 7.147629 -0.1553345     10.10942 
1 1 1 1  11 15 o 325.2068 2.834866 1058.427       18.41975      1080.389       24.80998      1035.756       27.22580      328.6430 3.774610 321.7705 4.230624 6.872437       5.669732 
1 1 1 1  11 16 o 107.7863 2.441267 116.1861       5.275132      114.0607       6.289635      118.3823       8.473083      106.7884 2.944906 108.7843 3.894442 -1.995926      4.882535 
1 1 1 1  11 17 o 259.9848 2.602765 676.1464       13.53143      677.4925       19.02901      674.8712       19.24864      260.2375 3.656087 259.7322 3.705477 0.5052795      5.205529 
1 1 1 1  11 18 o 259.9293 2.647659 675.9338       13.76522      691.5198       19.63828      660.4188       19.29114      262.9198 3.734653 256.9389 3.754033 5.980865       5.295319 
1 1 1 1  11 19 o 215.5266 2.489723 464.7444       10.72596      475.6545       15.21046      453.8342       15.13961      218.0575 3.487718 212.9957 3.553971 5.061752       4.979446 
1 1 1 1  11 20 o 534.8759 5.192102 2866.396       55.64180      2823.889       69.00320      2909.611       87.28126      530.9917 6.497578 538.7601 8.100197 -7.768433      10.38420 
1 1 1 1  11 21 o 499.7400 6.161775 2501.543       61.58572      2501.543       61.58572      ?              ?             499.7400 6.161775 ?        ?        ?              ?        
1 1 1 1  11 22 o 135.7998 1.859446 184.4809       5.050553      186.3228       7.091603      182.6389       7.190785      136.4783 2.598070 135.1213 2.660864 1.357010       3.718893 
1 1 1 1  11 23 o 169.2722 1.807293 286.7104       6.120315      277.7131       8.437660      295.7078       8.869816      166.6161 2.532066 171.9282 2.579511 -5.312088      3.614586 
1 1 1 1  11 24 o 286.1031 2.747927 819.6788       15.72054      815.4280       23.03885      823.9294       21.39524      285.3458 4.037006 286.8605 3.729208 -1.514709      5.495854 
1 1 1 1  11 25 o 91.66576 1.555006 84.09322       2.843017      81.18858       4.270547      86.99788       3.754794      90.07846 2.370460 93.25306 2.013229 -3.174599      3.110011 
1 1 1 1  11 26 o 175.5776 3.359580 309.2392       11.78864      296.7704       16.59194      321.7079       16.76197      172.0292 4.822420 179.1259 4.678823 -7.096695      6.719161 
1 1 1 1  11 27 o 295.9564 3.845237 879.1887       22.76256      891.2324       32.75881      867.8535       31.61820      297.9097 5.498111 294.0031 5.377189 3.906616       7.690474 
1 1 1 1  11 28 o 84.49638 4.245682 71.97870       7.183701      77.57547       10.59135      66.36776       9.705790      87.78835 6.032323 81.20441 5.976147 6.583946       8.491364 
1 1 1 1  11 29 o 248.6147 3.580338 621.6664       17.80339      615.9988       25.25630      627.4049       25.09336      247.4631 5.103045 249.7664 5.023367 -2.303284      7.160677 
1 1 1 1  11 30 o 63.81848 5.490942 41.81283       6.974707      50.78183       10.44966      32.83674       9.245295      70.79141 7.380601 56.84555 8.131943 13.94586       10.98188 
1 1 1 1  11 31 o 115.5993 5.282776 134.7475       12.21371      134.7475       12.21371      ?              ?             115.5993 5.282776 ?        ?        ?              ?        
1 1 1 1  11 32 o 148.6438 3.477926 222.7372       10.34340      227.1297       15.01918      218.3448       14.22571      150.0891 5.003420 147.1986 4.832150 2.890533       6.955853 
1 1 1 1  11 33 o 126.9939 3.652667 162.8022       9.280719      164.6442       13.68020      160.8894       12.54668      127.6825 5.357117 126.3052 4.966810 1.377274       7.305334 
1 1 1 1  11 34 o 164.5100 3.574090 273.3915       11.76738      280.2635       17.20121      266.5196       16.06060      166.5421 5.164223 162.4779 4.942396 4.064194       7.148180 
1 1 1 1  11 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 36 o 79.30373 5.406363 65.31925       8.458915      54.80583       12.17120      75.80434       11.75322      72.64069 8.377675 85.96677 6.835906 -13.32608      10.81273 
1 1 1 1  11 37 o 177.0591 3.564769 318.9450       12.61753      309.2392       17.84590      328.6508       17.84590      174.3183 5.118770 179.7999 4.962711 -5.481674      7.129538 
1 1 1 1  11 38 o 67.64274 5.665084 48.46519       7.502505      40.81391       11.22896      56.11647       9.946663      61.77608 9.088438 73.50939 6.765574 -11.73331      11.33017 
1 1 1 1  11 39 o 119.2121 3.784807 146.0119       9.025676      145.2326       13.06385      146.7912       12.44750      118.8064 5.497960 119.6178 5.203027 -0.8114853     7.569614 
1 1 1 1  11 40 o 85.29327 4.503153 76.51279       7.693786      84.09322       11.49109      68.93236       10.24421      89.49657 6.419848 81.08997 6.316573 8.406601       9.006306 
1 1 1 1  11 41 o 93.80366 4.447021 93.44479       8.232210      79.91336       11.95867      106.9054       11.31397      86.46591 6.915249 101.1414 5.593147 -14.67549      8.894041 
1 1 1 1  11 42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  11 43 o 20.66846 6.518388 0.2719038      5.528758      -1.348892      8.104689      1.892983       7.523758      19.98448 9.109794 21.35245 9.325728 -1.367973      13.03678 
1 1 1 1  11 44 o 39.02333 6.403753 20.45300       5.311971      11.73905       7.459997      29.16696       7.566265      28.75653 10.25295 49.29013 7.675233 -20.53360      12.80751 
1 1 1 1  11 45 o 61.00117 4.916046 45.68097       5.899987      55.33009       8.572267      36.03894       8.111773      68.54990 6.252574 53.45244 7.587842 15.09747       9.832091 
1 1 1 1  12 0  o 83.52007 4.260051 70.32092       7.076725      70.32092       7.076725      70.32092       7.076725      83.52007 4.260051 83.52007 4.260051 0.000000       0.000000 
1 1 1 1  12 1  o 564.1397 5.980615 3190.158       67.48711      3181.657       95.14508      3199.368       95.71184      563.3590 8.444445 564.9204 8.471268 -1.561401      11.96123 
1 1 1 1  12 2  o 306.9802 2.936941 942.9493       18.03010      948.6169       25.66012      937.2817       25.34132      307.9022 4.166929 306.0582 4.139951 1.843933       5.873882 
1 1 1 1  12 3  o 186.7585 2.242405 348.9125       8.380984      341.8280       11.70362      356.0679       11.98701      184.8531 3.165656 188.6639 3.176815 -3.810776      4.484811 
1 1 1 1  12 4  o 102.9857 1.972071 106.1261       4.061554      105.4885       5.769631      106.6928       5.718623      102.6932 2.809159 103.2782 2.768553 -0.5849838     3.944143 
1 1 1 1  12 5  o 373.5933 2.962574 1396.359       22.13912      1424.697       31.87325      1368.729       30.73972      377.3344 4.223475 369.8522 4.155677 7.482178       5.925148 
1 1 1 1  12 6  o 229.6251 2.137416 527.4424       9.819141      523.9709       13.80772      530.9138       13.95650      228.8696 3.016505 230.3806 3.029009 -1.511032      4.274833 
1 1 1 1  12 7  o 217.1246 2.086714 471.6872       9.061099      485.0770       13.08510      458.2266       12.54668      220.2150 2.970985 214.0342 2.930999 6.180756       4.173429 
1 1 1 1  12 8  o 449.0766 3.453073 2018.379       31.01602      2016.254       43.79649      2019.796       43.92401      448.8799 4.878420 449.2734 4.888339 -0.3935242     6.906145 
1 1 1 1  12 9  o 335.9802 2.732995 1129.272       18.37016      1117.937       25.73097      1140.607       26.21272      334.2944 3.848549 337.6659 3.881458 -3.371490      5.465990 
1 1 1 1  12 10 o 191.1976 2.131809 365.7028       8.140111      375.4086       10.90307      355.9970       12.08619      193.7377 2.813874 188.6575 3.203209 5.080246       4.263618 
1 1 1 1  12 11 o 137.8995 1.934439 190.2902       5.334641      180.2301       7.346645      200.4210       7.743378      134.2396 2.736392 141.5594 2.735028 -7.319763      3.868878 
1 1 1 1  12 12 o 112.4638 2.640889 126.7420       5.880150      116.1152       9.032760      137.3688       7.530843      107.7363 4.192070 117.1913 3.213055 -9.455048      5.281778 
1 1 1 1  12 13 o 419.6228 4.639982 1762.628       38.95068      1717.996       53.77857      1807.969       56.37151      414.2729 6.490719 424.9727 6.632368 -10.69989      9.279964 
1 1 1 1  12 14 o 221.1073 2.417495 489.0443       10.69054      486.6355       14.94125      491.3821       15.29548      220.5713 3.386943 221.6434 3.450470 -1.072083      4.834990 
1 1 1 1  12 15 o 456.2825 4.031689 2083.557       36.79699      2060.178       51.43360      2106.936       52.63088      453.7245 5.667933 458.8404 5.735206 -5.115936      8.063377 
1 1 1 1  12 16 o 523.9193 3.976911 2747.376       41.67113      2751.627       58.99986      2743.125       58.86526      524.3244 5.626275 523.5141 5.622127 0.8103027      7.953822 
1 1 1 1  12 17 o 123.5382 2.224079 152.6714       5.496878      149.6959       7.615856      155.6469       7.927575      122.3345 3.112717 124.7418 3.177593 -2.407272      4.448158 
1 1 1 1  12 18 o 375.6126 3.071797 1411.236       23.07428      1399.901       32.38333      1423.280       32.88633      374.0580 4.328650 377.1672 4.359649 -3.109161      6.143594 
1 1 1 1  12 19 o 150.7605 2.150620 227.3422       6.485168      223.4457       9.011506      231.3095       9.330310      149.4573 3.014743 152.0637 3.067896 -2.606354      4.301239 
1 1 1 1  12 20 o 433.8734 4.337921 1885.899       37.57628      1919.904       48.30224      1851.185       57.57588      437.8916 5.515319 429.8552 6.697125 8.036407       8.675842 
1 1 1 1  12 21 o 395.4439 3.351641 1565.678       26.55986      1606.769       40.63680      1524.588       34.21114      400.6037 5.071944 390.2841 4.382851 10.31967       6.703283 
1 1 1 1  12 22 o 110.3962 1.882431 121.9245       4.157903      120.1534       5.702329      123.6957       6.052303      109.5952 2.601541 111.1972 2.721429 -1.601913      3.764863 
1 1 1 1  12 23 o 227.5981 2.118495 518.3742       9.642029      519.0826       13.66603      517.6657       13.60936      227.7534 3.000183 227.4428 2.991820 0.3105774      4.236990 
1 1 1 1  12 24 o 75.36908 2.286834 56.99495       3.400568      51.44777       5.281508      62.54921       4.285425      71.67889 3.684145 79.05928 2.710261 -7.380394      4.573668 
1 1 1 1  12 25 o 119.1844 1.754581 142.1863       4.174198      140.7694       6.964081      143.5323       4.603519      118.5888 2.936232 119.7801 1.921655 -1.191338      3.509161 
1 1 1 1  12 26 o 89.32544 1.602654 79.91336       2.903235      85.72267       4.917363      74.17490       3.088141      92.54405 2.656769 86.10683 1.793203 6.437218       3.205308 
1 1 1 1  12 27 f 76.43282 3.501314 59.09905       5.671157      69.24407       10.62678      48.94693       3.955995      82.94730 6.405740 69.91834 2.829011 13.02896       7.002628 
1 1 1 1  12 28 f 84.24516 4.471436 71.76617       7.481250      63.59772       10.74721      79.98421       10.41424      79.37158 6.770190 89.11875 5.842901 -9.747169      8.942872 
1 1 1 1  12 29 o 205.3697 3.449283 424.2209       14.17612      439.1693       20.60178      409.3434       19.47534      208.9682 4.929405 201.7713 4.826094 7.196960       6.898566 
1 1 1 1  12 30 o 146.8260 3.520258 217.4239       10.32923      198.8624       14.30364      236.0561       14.89874      140.5136 5.089773 153.1384 4.864470 -12.62480      7.040515 
1 1 1 1  12 31 o 194.7161 3.484841 381.8555       13.56685      378.3841       19.41158      385.3269       18.96525      193.8085 5.007927 195.6236 4.847383 -1.815109      6.969682 
1 1 1 1  12 32 o 133.4763 3.671355 180.0884       9.783719      166.5570       13.75813      193.6907       13.91399      128.4014 5.357471 138.5512 5.021245 -10.14984      7.342711 
1 1 1 1  12 33 o 28.19734 7.455400 2.505085       6.730292      14.81373       10.12378      -9.804973      8.869816      37.57417 11.97495 18.82051 8.884396 18.75366       14.91080 
1 1 1 1  12 34 o 93.81757 4.918264 89.97337       9.231127      95.35760       13.53143      84.51830       12.57502      96.63417 7.001369 91.00097 6.909277 5.633202       9.836528 
1 1 1 1  12 35 o 77.05074 6.009717 62.51378       9.188620      76.22942       13.62353      48.77691       12.32706      85.80482 7.938673 68.29665 9.024646 17.50816       12.01943 
1 1 1 1  12 36 o 29.25180 8.206511 5.379983       7.311223      1.913528       10.65512      8.848563       10.00334      26.97869 11.42009 31.52491 11.78851 -4.546225      16.41302 
1 1 1 1  12 37 o 30.25275 7.616599 5.771049       6.914490      18.39141       10.40007      -6.850729      9.117774      40.33913 12.00871 20.16638 9.372368 20.17274       15.23320 
1 1 1 1  12 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  12 39 o 71.37418 5.272274 54.06195       7.530843      55.11754       11.05893      52.99928       10.22296      71.94511 7.685674 70.80325 7.219274 1.141861       10.54455 
1 1 1 1  12 40 f 148.7025 3.612139 229.6801       10.75430      240.6611       15.81264      218.6991       14.57994      152.1650 5.195886 145.2399 5.019259 6.925110       7.224278 
1 1 1 1  12 41 f 130.9960 4.035014 183.4890       10.56302      180.6552       15.19629      186.3228       14.68620      129.7597 5.855553 132.2323 5.553184 -2.472656      8.070027 
1 1 1 1  12 42 o 37.67645 7.811061 18.59686       6.743752      11.46984       9.804973      25.72388       9.259464      30.36498 11.58829 44.98792 10.47675 -14.62293      15.62212 
1 1 1 1  12 43 o 22.56427 6.668563 2.366937       5.530175      -4.757254      7.821308      9.493254       7.821308      17.79077 8.381943 27.33778 10.37410 -9.547010      13.33713 
1 1 1 1  12 44 o 22.64944 6.731766 5.615189       5.174532      6.240752       7.467082      4.990335       7.169532      23.20003 9.675945 22.09886 9.361773 1.101171       13.46353 
1 1 1 1  13 0  o 163.7313 3.198151 268.4324       10.46383      268.4324       10.46383      268.4324       10.46383      163.7313 3.198151 163.7313 3.198151 -0.000000      0.000000 
1 1 1 1  13 1  o 251.1279 2.628153 630.9471       13.19846      629.8137       18.63228      632.0806       18.70313      250.9025 3.713053 251.3534 3.720484 -0.4509277     5.256307 
1 1 1 1  13 2  o 91.26257 2.490950 83.59731       4.546844      74.03321       6.142985      93.16142       6.705496      86.02433 3.570493 96.50080 3.474321 -10.47647      4.981900 
1 1 1 1  13 3  o 313.8799 3.031565 985.4564       19.02901      976.9550       26.69446      994.6663       27.13370      312.4707 4.271514 315.2891 4.302989 -2.818329      6.063130 
1 1 1 1  13 4  o 301.1710 2.948278 907.5267       17.75380      907.5267       25.11462      907.5267       25.11462      301.1710 4.169494 301.1710 4.169494 0.000000       5.896555 
1 1 1 1  13 5  o 500.7076 4.133693 2509.336       41.35941      2544.759       55.03962      2474.622       61.74865      504.2379 5.457704 497.1773 6.209923 7.060547       8.267385 
1 1 1 1  13 6  o 367.9385 2.956370 1354.560       21.76364      1327.639       30.19422      1381.481       31.34190      364.2834 4.144331 371.5937 4.217228 -7.310272      5.912740 
1 1 1 1  13 7  o 610.8269 4.566015 3734.958       55.79058      3738.500       78.92152      3731.416       78.85069      611.1166 6.457158 610.5373 6.457483 0.5792847      9.132030 
1 1 1 1  13 8  o 271.5845 2.748809 738.2068       14.92708      730.4138       20.87099      745.2913       21.35982      270.2160 3.861908 272.9529 3.912730 -2.736847      5.497617 
1 1 1 1  13 9  o 193.8040 2.346923 375.6920       9.096521      367.8282       12.65295      383.6266       13.07802      191.7668 3.299046 195.8412 3.338935 -4.074417      4.693846 
1 1 1 1  13 10 o 292.1262 2.885217 853.6844       16.85407      861.4774       23.96692      845.8914       23.71188      293.4595 4.083515 290.7929 4.077108 2.666626       5.770434 
1 1 1 1  13 11 o 250.4394 2.628390 627.4049       13.16303      623.2250       18.41266      631.5848       18.82356      249.6058 3.688349 251.2730 3.745640 -1.667267      5.256780 
1 1 1 1  13 12 o 386.0583 3.313451 1491.291       25.56094      1514.670       34.11195      1467.912       38.07220      389.0974 4.383472 383.0193 4.970011 6.078125       6.626903 
1 1 1 1  13 13 o 660.3015 4.914266 4364.771       64.91544      4339.267       91.24860      4389.567       92.31127      658.4009 6.929562 662.2021 6.970023 -3.801147      9.828532 
1 1 1 1  13 14 o 370.5024 2.987734 1373.688       22.13912      1387.857       31.58987      1358.811       31.03019      372.4610 4.240695 368.5439 4.209836 3.917114       5.975468 
1 1 1 1  13 15 o 203.4414 2.538684 414.0901       10.32923      408.4225       14.47367      419.6868       14.74288      202.0579 3.581565 204.8250 3.598897 -2.767105      5.077368 
1 1 1 1  13 16 o 116.0306 2.428813 134.6767       5.637151      133.3306       7.764632      136.0228       8.175533      115.4515 3.362724 116.6097 3.505512 -1.158203      4.857625 
1 1 1 1  13 17 o 239.6153 2.472138 574.3419       11.84531      583.5517       16.94617      565.2028       16.56360      241.5288 3.508105 237.7017 3.484115 3.827087       4.944275 
1 1 1 1  13 18 o 290.1556 2.793187 842.3492       16.20229      838.8069       24.14404      845.8914       21.62195      289.5368 4.169425 290.7744 3.717994 -1.237579      5.586375 
1 1 1 1  13 19 o 227.3807 2.529522 517.3823       11.50526      503.1425       15.86224      531.6222       16.67695      224.2523 3.536694 230.5090 3.617419 -6.256744      5.059044 
1 1 1 1  13 20 o 447.1873 3.485816 2002.085       31.17896      1978.706       43.68314      2025.464       44.49786      444.5779 4.912878 449.7966 4.946442 -5.218719      6.971632 
1 1 1 1  13 21 o 295.3013 2.723172 872.8126       16.06060      895.4830       21.69988      850.1422       23.68354      299.1492 3.626932 291.4534 4.063007 7.695831       5.446344 
1 1 1 1  13 22 o 25.90331 5.320578 6.819557       3.006670      4.421447       4.087767      9.216957       4.409404      22.08663 7.617175 29.72000 7.430534 -7.633373      10.64116 
1 1 1 1  13 23 o 191.0047 2.209676 365.2069       8.444746      363.3649       11.80281      366.9780       12.07202      190.5338 3.097300 191.4756 3.152365 -0.9418030     4.419352 
1 1 1 1  13 24 o 160.4321 1.881924 257.5931       6.042386      250.5085       8.331393      264.7484       8.749379      158.2161 2.632916 162.6481 2.689665 -4.432037      3.763847 
1 1 1 1  13 25 o 117.2389 1.866642 137.5813       4.377523      134.8892       6.083476      140.2735       6.296719      116.0925 2.620098 118.3853 2.659417 -2.292793      3.733285 
1 1 1 1  13 26 o 234.0765 2.140202 548.6959       10.01751      560.4562       14.27530      536.9356       14.06277      236.5863 3.016934 231.5668 3.036439 5.019516       4.280404 
1 1 1 1  13 27 o 311.1566 3.024232 971.2875       18.91566      995.3747       32.51085      947.9085       19.36199      314.7152 5.165123 307.5978 3.147289 7.117401       6.048464 
1 1 1 1  13 28 o 274.4829 2.583555 755.9181       14.23280      780.7139       22.39416      731.1223       17.56960      278.8994 4.014739 270.0664 3.252830 8.832977       5.167110 
1 1 1 1  13 29 f 31.25388 6.607247 4.642484       6.179825      -11.89491      8.713958      21.18271       8.763549      17.88763 8.568258 44.62013 10.06021 -26.73251      13.21449 
1 1 1 1  13 30 o 137.3703 3.615486 190.2193       9.925409      184.7642       14.19029      195.6744       13.88566      135.3732 5.241176 139.3675 4.981669 -3.994354      7.230971 
1 1 1 1  13 31 o 48.92609 6.796647 27.14787       6.878358      46.54528       10.44258      7.750463       8.947746      67.57246 7.726948 30.27973 11.18355 37.29274       13.59329 
1 1 1 1  13 32 o 46.05135 7.724676 23.09553       7.075308      27.99093       10.69762      18.20721       9.259464      50.99603 10.81704 41.10667 11.03060 9.889351       15.44935 
1 1 1 1  13 33 o 150.1701 5.137535 0.000000       0.000000      ?              ?             227.8381       15.43008      ?        ?        150.1701 5.137535 ?              ?        
1 1 1 1  13 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 35 o 101.4726 4.647959 106.1261       9.330310      88.06055       13.14886      124.1916       13.24096      92.57906 7.101425 110.3661 5.998654 -17.78705      9.295918 
1 1 1 1  13 36 o 82.13042 5.264757 71.55363       8.501422      93.51564       12.80881      49.58454       11.17937      95.30853 6.719655 68.95229 8.106597 26.35624       10.52951 
1 1 1 1  13 37 o 140.7093 3.808060 202.4755       10.71179      199.6417       15.44425      205.3802       14.84915      139.6268 5.530546 141.7918 5.236252 -2.164963      7.616119 
1 1 1 1  13 38 o 76.37452 5.238539 61.47945       7.991336      59.79333       11.45567      63.16556       11.15812      75.21667 7.615111 77.53237 7.195778 -2.315704      10.47708 
1 1 1 1  13 39 o 128.1464 3.882766 169.9576       9.953747      171.8704       14.51618      168.0448       13.62353      128.7508 5.637314 127.5420 5.340802 1.208839       7.765531 
1 1 1 1  13 40 o 35.19781 8.073930 14.61536       6.958413      8.295970       10.23713      20.93475       9.429493      29.24969 11.65912 41.14594 11.17221 -11.89624      16.14786 
1 1 1 1  13 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  13 43 o 64.60516 5.108374 48.66355       6.593561      52.24123       9.479085      45.07879       9.167366      67.19946 7.052947 62.01085 7.391744 5.188614       10.21675 
1 1 1 1  13 44 o 19.23439 6.194962 0.6296011      5.283633      2.509336       7.566265      -1.250417      7.374983      20.35806 9.087646 18.11072 8.421694 2.247345       12.38992 
1 1 1 1  14 0  o 386.2312 4.369565 1492.708       33.74356      1492.708       33.74356      1492.708       33.74356      386.2312 4.369565 386.2312 4.369565 0.000000       0.000000 
1 1 1 1  14 1  o 266.6903 2.401015 711.2856       12.80881      721.9124       18.31348      701.0839       17.90966      268.6418 3.408530 264.7387 3.382516 3.903107       4.802031 
1 1 1 1  14 2  o 145.3197 2.022680 211.2603       5.878733      210.4102       8.317224      212.0396       8.310139      145.0393 2.867231 145.6000 2.853757 -0.5606842     4.045360 
1 1 1 1  14 3  o 500.8473 3.836535 2510.045       38.43351      2498.709       54.11155      2522.088       54.58620      499.6820 5.414599 502.0126 5.436738 -2.330597      7.673070 
1 1 1 1  14 4  o 460.5089 4.118702 2122.521       37.93759      2099.851       53.07721      2145.192       54.21782      458.0516 5.793803 462.9663 5.855482 -4.914703      8.237404 
1 1 1 1  14 5  o 237.3693 3.218099 563.7151       15.28131      572.7833       21.64320      554.7178       21.56527      239.2718 4.522724 235.4668 4.579259 3.804947       6.436199 
1 1 1 1  14 6  o 444.1463 4.907364 1975.872       43.63354      1897.234       59.28325      2053.802       64.03696      435.3515 6.808664 452.9411 7.069016 -17.58957      9.814728 
1 1 1 1  14 7  o 292.4597 3.586890 855.8098       20.97726      865.7281       29.73372      845.8914       29.60620      294.1551 5.054090 290.7644 5.091098 3.390717       7.173779 
1 1 1 1  14 8  o 191.9671 2.982295 368.9617       11.46984      348.6291       15.38757      389.2234       17.00993      186.6840 4.121290 197.2503 4.311763 -10.56630      5.964590 
1 1 1 1  14 9  o 282.4555 2.720167 798.4252       15.36632      797.7167       20.04918      798.4252       23.29390      282.3997 3.549789 282.5114 4.122647 -0.1116943     5.440333 
1 1 1 1  14 10 o 250.1953 2.366817 626.3422       11.85240      604.3094       16.25188      648.3751       17.25080      245.7942 3.305995 254.5963 3.387873 -8.802170      4.733633 
1 1 1 1  14 11 o 166.0883 2.240379 276.0128       7.431659      284.2308       10.06710      267.7239       10.93141      168.5745 2.985950 163.6021 3.340852 4.972397       4.480758 
1 1 1 1  14 12 o 450.9540 4.095214 2034.674       36.93867      2044.592       52.56004      2025.464       51.90826      452.0125 5.814003 449.8955 5.768924 2.116943       8.190428 
1 1 1 1  14 13 o 308.1465 2.667173 950.0338       16.44317      925.9465       22.77672      974.1212       23.71897      304.2403 3.743213 312.0527 3.800474 -7.812408      5.334345 
1 1 1 1  14 14 o 450.1655 3.532618 2028.298       31.80240      2016.254       44.73873      2039.633       45.22048      448.8689 4.983497 451.4622 5.008224 -2.593262      7.065235 
1 1 1 1  14 15 o 247.9221 2.488861 614.8653       12.34123      619.9661       17.54835      609.7644       17.35707      248.9503 3.524468 246.8938 3.515088 2.056534       4.977723 
1 1 1 1  14 16 o 189.0662 2.592095 357.5556       9.804973      359.6101       14.48784      355.5720       13.21263      189.5971 3.820691 188.5354 3.504018 1.061737       5.184189 
1 1 1 1  14 17 o 229.9089 2.477169 528.7884       11.39190      536.2272       16.06060      521.4205       16.15270      231.5192 3.468525 228.2986 3.537627 3.220657       4.954338 
1 1 1 1  14 18 o 83.28140 2.964581 69.68332       4.902486      78.28393       6.849311      61.06145       7.015089      88.45204 3.871766 78.11076 4.490476 10.34129       5.929161 
1 1 1 1  14 19 o 335.1090 3.032315 1123.605       20.33965      1112.269       26.53152      1135.648       30.83182      333.3860 3.979099 336.8321 4.576735 -3.446075      6.064630 
1 1 1 1  14 20 f 91.90630 2.748786 85.01421       4.954912      97.83719       6.473125      72.19124       7.502505      98.88714 3.272986 84.92547 4.417111 13.96167       5.497573 
1 1 1 1  14 21 o 199.2555 2.569658 397.5123       10.21588      411.6813       13.70854      383.2724       15.15378      202.8280 3.379352 195.6831 3.872022 7.144897       5.139317 
1 1 1 1  14 22 o 182.6238 2.939270 335.3102       11.00934      375.6212       19.02901      294.9285       11.07310      193.5948 4.914650 171.6528 3.225436 21.94200       5.878539 
1 1 1 1  14 23 o 303.5560 2.937948 923.1127       17.83173      928.7803       25.22088      917.4451       25.22797      304.4896 4.141502 302.6223 4.168227 1.867218       5.875896 
1 1 1 1  14 24 o 208.7177 2.221045 436.2646       9.259464      451.0713       12.61044      421.4579       13.55268      212.2735 2.970329 205.1619 3.302924 7.111618       4.442090 
1 1 1 1  14 25 o 180.9760 1.983381 327.8715       7.176617      327.2339       10.04585      328.5091       10.25838      180.8018 2.778137 181.1501 2.831458 -0.3482971     3.966762 
1 1 1 1  14 26 o 17.47844 4.740712 1.576305       2.458328      3.746293       3.477790      -0.5927616     3.476373      20.30484 7.023665 14.65204 6.369108 5.652802       9.481424 
1 1 1 1  14 27 o 121.9635 1.773244 149.1291       4.323681      158.2681       6.210997      139.9192       6.016172      125.7220 2.470130 118.2050 2.544804 7.517029       3.546488 
1 1 1 1  14 28 o 161.1161 1.901353 260.3560       6.213830      278.7049       10.55593      242.0071       6.553887      166.7479 3.165237 155.4844 2.107570 11.26344       3.802707 
1 1 1 1  14 29 f 128.4726 1.434539 165.2818       3.685366      164.5733       5.467831      165.9194       4.942160      128.2031 2.132488 128.7422 1.919402 -0.5390472     2.869078 
1 1 1 1  14 30 o 25.25310 6.367477 4.469623       5.017964      3.303510       9.599521      5.635734       2.926614      27.30211 11.12938 23.20409 6.189996 4.098026       12.73495 
1 1 1 1  14 31 o 159.5641 3.628179 257.0263       11.58319      259.2934       16.79031      254.6884       15.95433      160.2475 5.238867 158.8806 5.020856 1.366882       7.256358 
1 1 1 1  14 32 o 49.15239 7.710988 26.36149       7.431659      31.21438       11.13686      21.51568       9.833311      53.82964 10.72478 44.47515 11.08225 9.354488       15.42198 
1 1 1 1  14 33 o 183.3448 3.822848 340.4111       14.02734      349.1959       20.35382      331.6263       19.29823      185.6796 5.480899 181.0101 5.330704 4.669449       7.645696 
1 1 1 1  14 34 o 206.8626 3.988995 435.6978       16.49984      422.2373       23.37182      449.2293       23.28681      203.5937 5.739820 210.1314 5.541011 -6.537720      7.977991 
1 1 1 1  14 35 o 85.40245 5.120599 75.87518       8.685618      90.75267       12.78755      60.99770       11.76030      94.00510 6.801522 76.79981 7.656464 17.20528       10.24120 
1 1 1 1  14 36 o 197.5337 5.345657 398.0790       21.11895      398.0790       21.11895      ?              ?             197.5337 5.345657 ?        ?        ?              ?        
1 1 1 1  14 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  14 38 o 75.64963 5.466141 60.82059       8.239295      55.81183       11.79572      65.82934       11.49817      72.28041 8.159695 79.01884 7.275589 -6.738434      10.93228 
1 1 1 1  14 39 o 40.11432 8.589564 19.87916       7.495420      20.16254       11.15103      19.59578       10.01751      40.20734 12.53067 40.02130 11.75180 0.1860428      17.17913 
1 1 1 1  14 40 o 47.69077 8.051991 28.04052       7.601687      31.56861       11.17229      24.51243       10.30089      50.87525 11.27839 44.50629 11.49505 6.368954       16.10398 
1 1 1 1  14 41 o 22.43424 7.147006 0.3476373      6.791219      2.768630       9.918325      -2.073638      9.280719      23.96711 10.57847 20.90137 9.613259 3.065735       14.29401 
1 1 1 1  14 42 o 24.23181 7.085050 3.001002       6.226583      11.61861       8.806056      -5.618022      8.806056      29.74181 11.07268 18.72182 8.842372 11.01999       14.17010 
1 1 1 1  14 43 o 65.97608 7.658536 61.33776       9.840395      55.18131       13.71563      67.48711       14.11236      61.20691 11.62457 70.74526 9.974067 -9.538357      15.31707 
1 1 1 1  14 44 f 59.80567 8.037914 59.26908       9.401155      35.57845       12.43333      82.95970       14.09819      42.23040 13.24566 77.38094 9.109601 -35.15055      16.07583 
1 1 1 1  15 0  o 280.1240 5.037742 785.6730       28.20346      785.6730       28.20346      785.6730       28.20346      280.1240 5.037742 280.1240 5.037742 -0.000000      0.000000 
1 1 1 1  15 1  o 505.3539 4.489021 2556.094       45.36926      2538.383       63.66856      2573.805       64.66039      503.6050 6.321280 507.1028 6.375472 -3.497864      8.978042 
1 1 1 1  15 2  o 584.2731 5.101473 3417.572       59.61622      3401.986       83.80984      3433.157       84.80168      582.9432 7.188509 585.6031 7.240543 -2.659912      10.20295 
1 1 1 1  15 3  o 369.2209 3.484304 1363.770       25.73805      1331.889       35.54303      1396.359       37.23623      364.8601 4.870775 373.5818 4.983678 -8.721710      6.968608 
1 1 1 1  15 4  o 478.6246 4.283389 2292.550       41.00519      2279.798       57.61130      2305.302       58.36226      477.2947 6.035191 479.9544 6.079979 -2.659668      8.566777 
1 1 1 1  15 5  o 178.4346 2.156143 318.4491       7.693786      318.5199       10.87473      318.3782       10.88890      178.4545 3.046921 178.4148 3.051570 0.3973389E-01  4.312286 
1 1 1 1  15 6  o 435.5869 3.436668 1898.651       29.93917      1902.193       42.37959      1894.400       42.30166      436.0339 4.859666 435.1398 4.860698 0.8941345      6.873335 
1 1 1 1  15 7  o 199.3174 2.372096 397.6540       9.429493      377.9590       13.79356      417.2781       12.86548      194.3839 3.548019 204.2509 3.149432 -9.866943      4.744192 
1 1 1 1  15 8  o 503.2430 3.885414 2534.840       39.10654      2506.502       54.72790      2562.470       55.88268      500.4666 5.467688 506.0195 5.521791 -5.552917      7.770829 
1 1 1 1  15 9  o 140.8749 2.603326 198.5790       7.339560      189.9359       9.996255      207.2930       10.75430      137.7963 3.627186 143.9535 3.735337 -6.157227      5.206652 
1 1 1 1  15 10 o 507.7224 4.530319 2580.890       46.02103      2507.919       63.36392      2653.152       66.76450      500.5826 6.329019 514.8622 6.483725 -14.27963      9.060638 
1 1 1 1  15 11 o 591.3007 5.175982 3501.169       61.22440      3591.850       88.62732      3410.487       84.51830      598.9518 7.398536 583.6497 7.240499 15.30212       10.35196 
1 1 1 1  15 12 o 74.79971 4.618369 57.96552       7.012255      78.77983       11.51234      37.12288       8.005506      88.70689 6.488977 60.89254 6.573470 27.81435       9.236738 
1 1 1 1  15 13 o 311.6959 3.665346 972.7043       22.80506      989.7072       28.43725      954.9930       35.64929      314.5061 4.520938 308.8857 5.770630 5.620483       7.330692 
1 1 1 1  15 14 o 769.4588 5.727534 5930.450       88.13139      5898.569       124.0499      5963.039       125.2543      767.3705 8.082790 771.5471 8.117085 -4.176636      11.45507 
1 1 1 1  15 15 o 58.91806 5.451484 34.82040       6.426365      32.07870       8.777717      37.56920       9.386987      56.59155 7.755325 61.24457 7.663526 -4.653015      10.90297 
1 1 1 1  15 16 o 287.5750 2.716120 827.4717       15.62136      841.6407       22.36582      813.3027       21.82031      290.0367 3.855688 285.1133 3.826605 4.923492       5.432240 
1 1 1 1  15 17 o 513.2827 3.976350 2637.566       40.82099      2622.688       57.36334      2653.152       58.09305      511.8030 5.604044 514.7624 5.642705 -2.959351      7.952700 
1 1 1 1  15 18 o 118.0027 2.529663 139.4942       5.943202      149.1291       8.069265      129.8592       8.728126      122.0879 3.304695 113.9175 3.830897 8.170380       5.059326 
1 1 1 1  15 19 o 336.1774 2.843550 1131.397       19.12111      1139.190       27.16204      1122.896       26.91408      337.3879 4.025343 334.9668 4.017426 2.421112       5.687099 
1 1 1 1  15 20 o 486.6407 3.769620 2371.897       36.69072      2343.559       51.32024      2400.943       52.45377      483.7017 5.304948 489.5798 5.357019 -5.878174      7.539239 
1 1 1 1  15 21 o 260.2239 2.730247 678.0592       14.21154      675.7921       19.97126      680.3262       20.21921      259.7905 3.843724 260.6574 3.878504 -0.8669434     5.460495 
1 1 1 1  15 22 o 59.66772 3.139963 35.67055       3.746293      35.98935       5.207120      35.35883       5.387776      59.93393 4.344051 59.40151 4.535050 0.5324173      6.279925 
1 1 1 1  15 23 o 126.3764 2.153738 159.8976       5.439492      154.0883       7.715039      165.7777       7.672533      124.0636 3.109308 128.6892 2.981032 -4.625595      4.307476 
1 1 1 1  15 24 o 151.1417 2.022887 228.6882       6.115356      231.0261       8.593520      226.3504       8.699788      151.9161 2.828378 150.3673 2.892846 1.548798       4.045773 
1 1 1 1  15 25 o 83.00826 2.251535 69.20866       3.736375      61.70615       5.079599      76.72533       5.482000      78.48981 3.235834 87.52672 3.131615 -9.036911      4.503069 
1 1 1 1  15 26 o 201.5563 2.094584 407.0056       8.444746      406.1554       11.90199      407.7848       11.97992      201.3553 2.955469 201.7572 2.968895 -0.4019012     4.189169 
1 1 1 1  15 27 o 20.94282 4.986691 3.781715       2.649610      1.003168       3.625148      6.560972       3.864604      16.70211 6.828944 25.18352 7.268690 -8.481411      9.973381 
1 1 1 1  15 28 o 205.6014 2.063133 423.6542       8.480167      424.2917       11.97283      423.0165       12.02243      205.7574 2.909455 205.4454 2.925942 0.3119812      4.126265 
1 1 1 1  15 29 o 66.27960 2.205212 44.10112       2.957786      46.83575       4.996710      41.36650       3.166779      68.30055 3.657884 64.25866 2.464088 4.041893       4.410425 
1 1 1 1  15 30 o 28.68602 3.813994 8.621859       2.150860      9.939578       3.548635      7.311223       2.430698      30.83499 5.967197 26.53706 4.751712 4.297935       7.627989 
1 1 1 1  15 31 o 84.62437 3.724801 72.54546       6.580809      80.69266       12.70963      64.43369       3.426073      89.04189 7.136879 80.20684 2.135773 8.835052       7.449602 
1 1 1 1  15 32 o 29.96370 8.514380 5.188701       7.814223      4.921615       11.44858      5.455787       10.62678      30.15677 12.20493 29.77062 11.87511 0.3861485      17.02876 
1 1 1 1  15 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 34 o 61.32571 7.472224 40.69347       8.806056      34.01277       12.91508      47.37417       11.96575      55.25331 12.02235 67.39809 8.876921 -12.14478      14.94445 
1 1 1 1  15 35 o 193.9591 3.806091 383.6266       14.75705      361.1687       20.58761      406.0846       21.14729      188.2188 5.469062 199.6994 5.294779 -11.48061      7.612182 
1 1 1 1  15 36 f 41.42052 8.150123 18.97942       7.644195      9.394071       11.25021      28.55769       10.35048      32.34687 12.39310 50.49416 10.58816 -18.14729      16.30025 
1 1 1 1  15 37 o 114.5200 4.467005 136.6604       10.23004      149.4125       14.96250      123.9082       13.95650      119.9293 6.238050 109.1107 6.395566 10.81857       8.934011 
1 1 1 1  15 38 o 118.0505 5.282821 148.3498       12.34832      154.4425       14.80664      142.1863       19.76581      121.6964 6.083434 114.4046 8.638556 7.291855       10.56564 
1 1 1 1  15 39 o 41.39938 9.292560 19.64537       10.86057      -2.588683      15.23880      41.88367       15.47967      26.89664 12.34872 55.90213 13.88942 -29.00549      18.58512 
1 1 1 1  15 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  15 42 f 45.81607 9.360451 34.17571       9.238212      39.63787       13.02134      28.72064       13.09927      50.75135 12.81770 40.88079 13.64473 9.870560       18.72090 
1 1 1 1  15 43 o 21.38367 6.669387 3.517463       5.600311      2.379690       8.111773      4.655237       7.722124      20.77523 9.337824 21.99212 9.525121 -1.216888      13.33877 
1 1 1 1  16 0  o 123.4651 4.812924 153.1673       11.84531      153.1673       11.84531      153.1673       11.84531      123.4651 4.812924 123.4651 4.812924 -0.000000      0.000000 
1 1 1 1  16 1  o 566.4562 4.991678 3212.829       56.59113      3307.053       82.25125      3118.605       77.71716      574.7560 7.155319 558.1563 6.961954 16.59979       9.983356 
1 1 1 1  16 2  o 107.5174 2.950874 115.7610       6.341352      123.1289       9.131943      108.3931       8.806056      110.9430 4.115601 104.0918 4.229948 6.851257       5.901748 
1 1 1 1  16 3  o 457.1713 4.165251 2091.350       38.08637      2103.394       54.16114      2080.014       53.55895      458.4477 5.907014 455.8948 5.874048 2.552948       8.330502 
1 1 1 1  16 4  o 297.6348 3.100692 886.2732       18.45517      881.3140       25.97893      891.2324       26.22688      296.8023 4.376470 298.4672 4.393596 -1.664886      6.201385 
1 1 1 1  16 5  o 286.5552 2.610429 821.8041       14.96250      810.4688       20.94184      832.4308       21.37399      284.6402 3.678650 288.4703 3.704713 -3.830139      5.220859 
1 1 1 1  16 6  o 455.0350 3.588390 2071.513       32.65963      2084.265       46.43193      2059.469       45.93601      456.3958 5.086805 453.6742 5.062665 2.721588       7.176779 
1 1 1 1  16 7  o 358.1184 3.001907 1283.006       21.50151      1289.382       30.52719      1276.630       30.28631      359.0080 4.251602 357.2287 4.239065 1.779297       6.003815 
1 1 1 1  16 8  o 227.8706 2.390080 519.5077       10.89599      533.8184       15.69221      505.1261       15.11836      231.0175 3.396325 224.7238 3.363765 6.293716       4.780161 
1 1 1 1  16 9  o 230.5508 2.391191 531.6931       11.02351      525.0336       15.46550      538.3525       15.72054      229.1070 3.375170 231.9946 3.388128 -2.887512      4.782382 
1 1 1 1  16 10 o 189.1531 2.317359 357.9099       8.770633      352.6673       12.31998      363.1524       12.47583      187.7677 3.280644 190.5386 3.273835 -2.770905      4.634719 
1 1 1 1  16 11 o 326.5552 2.854797 1066.928       18.64645      1052.051       26.04977      1081.806       26.68738      324.2791 4.016567 328.8313 4.057913 -4.552216      5.709594 
1 1 1 1  16 12 o 266.9962 2.651039 713.4109       14.16195      693.9993       19.68787      732.5391       20.35382      263.3893 3.737410 270.6032 3.760824 -7.213928      5.302078 
1 1 1 1  16 13 o 156.8110 3.128175 246.0453       9.812057      241.1570       13.59519      250.9336       14.15487      155.2539 4.378372 158.3681 4.468977 -3.114120      6.256349 
1 1 1 1  16 14 o 578.6346 5.170642 3353.102       59.83583      3329.723       84.09322      3377.190       85.15590      576.5895 7.292296 580.6797 7.332433 -4.090210      10.34128 
1 1 1 1  16 15 o 244.8127 3.318521 599.7753       16.25897      603.7426       24.81706      595.8788       21.00560      245.5998 5.052339 244.0256 4.303975 1.574249       6.637042 
1 1 1 1  16 16 o 411.9811 3.896329 1699.576       32.11412      1735.707       46.23357      1663.445       44.57578      416.3569 5.552155 407.6054 5.468007 8.751495       7.792659 
1 1 1 1  16 17 o 201.8145 2.363816 407.5015       9.542846      407.0056       13.34723      407.9974       13.63770      201.6928 3.308802 201.9363 3.376733 -0.2434692     4.727631 
1 1 1 1  16 18 o 259.8077 2.650500 675.5088       13.75813      687.4108       18.39849      663.6068       20.46009      262.1075 3.509723 257.5078 3.972712 4.599640       5.300999 
1 1 1 1  16 19 o 146.1447 2.458785 213.7399       7.190785      211.6854       9.266549      215.7944       11.00226      145.4506 3.185462 146.8387 3.746375 -1.388077      4.917570 
1 1 1 1  16 20 o 257.3810 2.461597 663.1817       12.67420      672.5333       18.09386      653.8301       17.74672      259.1950 3.490395 255.5669 3.472030 3.628082       4.923194 
1 1 1 1  16 21 o 139.2373 2.320186 194.1158       6.460372      194.8242       9.358648      193.3365       8.912323      139.5008 3.354336 138.9739 3.206475 0.5269165      4.640371 
1 1 1 1  16 22 o 369.9907 3.270441 1372.271       24.17946      1389.274       32.21330      1355.268       36.07436      372.3384 4.325809 367.6429 4.906170 4.695557       6.540882 
1 1 1 1  16 23 o 38.86604 4.670002 15.60011       3.491959      18.66770       4.881941      12.53251       4.994585      43.11779 5.661168 34.61428 7.428785 8.503517       9.340004 
1 1 1 1  16 24 o 44.63737 3.972813 20.02085       3.543676      20.53093       4.878399      19.51076       5.140526      45.21416 5.394769 44.06058 5.833476 1.153576       7.945626 
1 1 1 1  16 25 o 188.3824 2.141487 355.5011       8.069265      355.7845       11.28564      355.2177       11.53359      188.4612 2.994154 188.3036 3.062500 0.1576080      4.282974 
1 1 1 1  16 26 o 183.9149 2.110239 338.9942       7.764632      333.5391       10.74721      344.3784       11.20771      182.4494 2.945259 185.3804 3.022893 -2.931076      4.220479 
1 1 1 1  16 27 o 111.0920 2.038831 123.6957       4.530550      119.7283       6.312305      127.6630       6.500045      109.3097 2.887350 112.8743 2.879329 -3.564621      4.077662 
1 1 1 1  16 28 o 48.90918 3.106095 24.08027       3.039967      22.74839       4.168531      25.40508       4.425699      47.55961 4.382427 50.25875 4.402913 -2.699146      6.212190 
1 1 1 1  16 29 o 60.77240 2.576046 37.23623       3.106561      42.03244       4.339267      32.44001       4.446243      64.72141 3.352266 56.82340 3.912335 7.898006       5.152092 
1 1 1 1  16 30 o 84.16333 1.869480 70.98687       3.151902      72.12038       4.966955      69.89585       3.883024      84.79982 2.928636 83.52684 2.324417 1.272980       3.738960 
1 1 1 1  16 31 o 93.64780 1.927563 88.06055       3.657028      94.01155       6.178408      82.10956       3.912779      96.76479 3.192487 90.53079 2.161021 6.234001       3.855125 
1 1 1 1  16 32 o 23.25978 4.058526 5.800803       1.914237      4.184116       2.288299      7.417490       3.069013      20.01009 5.535071 26.50946 5.937130 -6.499363      8.117051 
1 1 1 1  16 33 o 88.32339 5.900162 82.10956       10.30797      101.3086       15.21046      62.91052       13.90691      99.04276 7.678735 77.60403 8.960173 21.43873       11.80032 
1 1 1 1  16 34 o 156.5724 5.369222 253.5549       16.81156      252.6339       23.99526      254.4759       23.55602      156.2287 7.679531 156.9161 7.505930 -0.6873779     10.73844 
1 1 1 1  16 35 o 32.72975 9.581384 3.517463       10.93141      15.62845       16.13144      -8.593520      14.74997      39.43608 14.91814 26.02343 12.02750 13.41265       19.16277 
1 1 1 1  16 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  16 37 o 69.85616 8.811908 57.30666       11.95867      49.69790       16.95325      64.91544       16.86824      63.81115 13.67929 75.90116 11.11198 -12.09002      17.62382 
1 1 1 1  16 38 o 36.33135 8.605162 15.70638       7.630026      21.76364       11.16520      9.649114       10.40007      41.81250 12.44165 30.85020 11.89120 10.96230       17.21032 
1 1 1 1  16 39 o 82.86317 5.494806 75.30843       9.039845      90.04422       13.31889      60.62931       12.22788      91.43217 7.283484 74.29418 8.229364 17.13799       10.98961 
1 1 1 1  16 40 o 24.04067 7.585584 2.199743       7.722124      -4.396652      10.95267      8.798972       10.88182      20.87461 9.860201 27.20673 11.52999 -6.332117      15.17117 
1 1 1 1  16 41 o 27.49796 7.301553 8.140111       5.985709      15.70638       8.706873      0.5813555      8.218040      33.82376 11.12430 21.17215 9.460473 12.65161       14.60311 
1 1 1 1  16 42 o 67.28580 5.313041 54.47995       7.018632      41.00519       9.507423      67.94761       10.32923      57.78553 8.226474 76.78607 6.725977 -19.00054      10.62608 
1 1 1 1  16 43 o 17.92961 5.913572 -2.325139      5.338184      3.934033       7.920490      -8.586436      7.162447      21.14182 9.376574 14.71740 7.208412 6.424417       11.82714 
1 1 1 1  17 0  o 88.61935 4.412145 79.13406       7.778800      79.13406       7.778800      79.13406       7.778800      88.61935 4.412145 88.61935 4.412145 -0.000000      0.000000 
1 1 1 1  17 1  o 449.2470 3.571893 2019.796       32.09286      2005.627       45.10004      2033.257       45.67389      447.7112 5.036734 450.7829 5.066062 -3.071747      7.143786 
1 1 1 1  17 2  o 591.6740 4.508504 3504.003       53.35350      3508.253       75.59180      3499.752       75.30843      592.0322 6.384097 591.3158 6.367868 0.7163696      9.017009 
1 1 1 1  17 3  o 96.02181 2.941188 92.31127       5.646361      87.06872       7.863815      97.55381       8.104689      93.29249 4.214602 98.75114 4.103592 -5.458649      5.882376 
1 1 1 1  17 4  f 241.2249 2.883501 582.0640       13.91399      583.3392       19.76581      580.8596       19.58161      241.4815 4.092612 240.9684 4.063107 0.5131531      5.767003 
1 1 1 1  17 5  f 182.5744 2.774980 333.6100       10.13795      346.9288       14.74997      320.2202       13.91399      186.2299 3.960149 178.9189 3.888351 7.311035       5.549960 
1 1 1 1  17 6  f 254.7763 2.953859 649.3669       15.05460      638.3859       21.16146      660.4188       21.40941      252.6149 4.188481 256.9377 4.166265 -4.322845      5.907718 
1 1 1 1  17 7  o 334.0476 3.375725 1116.520       22.55711      1105.893       31.80240      1127.147       31.98660      332.4575 4.782927 335.6377 4.765049 -3.180145      6.751451 
1 1 1 1  17 8  o 579.3723 5.129475 3361.604       59.43202      3384.274       84.65999      3338.933       83.45561      581.3228 7.281668 577.4219 7.226573 3.900940       10.25895 
1 1 1 1  17 9  o 418.0488 3.408578 1748.459       28.50101      1739.249       40.14796      1758.377       40.45968      416.9060 4.814990 419.1916 4.825917 -2.285645      6.817155 
1 1 1 1  17 10 o 226.1295 2.594705 511.5730       11.73196      508.1017       16.54235      514.9736       16.64862      225.3700 3.670043 226.8889 3.668891 -1.518951      5.189410 
1 1 1 1  17 11 o 107.9194 4.129680 116.6112       8.919409      121.0744       12.93633      112.1479       12.27747      109.9848 5.880965 105.8540 5.799247 4.130753       8.259359 
1 1 1 1  17 12 o 134.3246 3.225136 180.5135       8.664365      183.9141       12.14286      177.1838       12.35540      135.5779 4.478187 133.0714 4.642396 2.506546       6.450271 
1 1 1 1  17 13 o 268.1435 2.783178 719.0786       14.92708      732.5391       21.30314      706.3265       20.91350      270.5861 3.936481 265.7008 3.935535 4.885315       5.566357 
1 1 1 1  17 14 o 117.8462 2.956801 138.9982       6.966206      143.0364       9.804973      134.9601       9.897071      119.5599 4.100443 116.1325 4.261110 3.427376       5.913602 
1 1 1 1  17 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 16 o 215.3278 3.091701 464.4610       13.27639      436.4771       19.19196      492.5157       18.35599      208.8173 4.595395 221.8382 4.137246 -13.02089      6.183402 
1 1 1 1  17 17 o 295.3162 3.458415 873.5211       20.44592      863.6028       25.94350      882.7309       31.61112      293.7307 4.416205 296.9016 5.323500 -3.170898      6.916829 
1 1 1 1  17 18 o 237.6231 3.258566 565.4863       15.55052      548.0583       18.56144      582.9849       24.95167      233.9935 3.966230 241.2528 5.171271 -7.259354      6.517133 
1 1 1 1  17 19 o 154.9452 2.644947 240.3777       8.196787      240.6611       11.43441      240.0943       11.74613      155.0392 3.687587 154.8512 3.792716 0.1880341      5.289895 
1 1 1 1  17 20 o 109.4518 3.115261 120.0826       6.835143      117.2488       8.529759      122.8455       10.68345      108.1971 3.941768 110.7064 4.825128 -2.509293      6.230521 
1 1 1 1  17 21 o 136.0127 2.614574 186.1103       7.212039      210.9061       11.66112      161.3145       8.494337      145.0952 4.018438 126.9302 3.346066 18.16493       5.229149 
1 1 1 1  17 22 o 115.1873 2.612415 132.9055       6.021132      128.9382       8.303054      136.9437       8.721042      113.4547 3.659195 116.9199 3.729495 -3.465202      5.224829 
1 1 1 1  17 23 o 139.1552 2.202153 193.9741       6.130233      189.4400       8.515590      198.4373       8.820225      137.5422 3.095628 140.7682 3.132890 -3.225998      4.404306 
1 1 1 1  17 24 o 239.9141 2.674775 577.1049       12.83006      573.8459       18.03010      580.3637       18.27097      239.2391 3.768218 240.5891 3.797133 -1.349991      5.349549 
1 1 1 1  17 25 o 122.9247 2.196853 151.4670       5.401945      151.7504       7.530843      151.1128       7.743378      123.0580 3.059875 122.7913 3.153065 0.2667313      4.393706 
1 1 1 1  17 26 o 158.8611 2.131712 252.9173       6.774216      250.8628       9.443663      254.9718       9.712874      158.2193 2.984358 159.5030 3.044731 -1.283646      4.263424 
1 1 1 1  17 27 o 64.82194 2.930261 42.52836       3.752669      49.74040       5.268047      35.32341       5.345269      70.38445 3.742337 59.25942 4.510059 11.12503       5.860522 
1 1 1 1  17 28 o 108.7722 2.120247 118.5948       4.613438      117.3196       6.423533      119.9409       6.622607      108.1741 2.969071 109.3703 3.027608 -1.196167      4.240494 
1 1 1 1  17 29 o 107.0508 2.098119 114.9817       4.493710      111.7937       6.190452      118.1698       6.516339      105.5704 2.931906 108.5312 3.002058 -2.960777      4.196239 
1 1 1 1  17 30 o 61.66089 2.871556 38.27057       3.545093      37.27165       4.729624      39.26240       5.282925      60.87521 3.884688 62.44656 4.229957 -1.571354      5.743113 
1 1 1 1  17 31 o 147.5021 1.970578 218.2740       5.804345      214.0941       8.912323      222.4539       7.431659      146.0435 3.051255 148.9607 2.494504 -2.917114      3.941156 
1 1 1 1  17 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 33 o 118.2569 1.698374 140.3443       4.008420      147.3580       5.535134      133.4015       5.799386      121.2161 2.283168 115.2976 2.514963 5.918465       3.396748 
1 1 1 1  17 34 o 43.70446 8.682850 21.71405       8.395153      32.09286       12.48292      11.32814       11.23604      53.23393 12.00981 34.17499 12.54320 19.05894       17.36570 
1 1 1 1  17 35 o 116.2247 4.438283 139.4233       10.32214      141.8320       14.87749      136.9437       14.30364      117.2035 6.346861 115.2459 6.205707 1.957634       8.876567 
1 1 1 1  17 36 o 29.45900 8.515961 5.430991       8.118857      1.489166       11.67529      9.372816       11.28564      27.03722 11.71121 31.88077 12.36665 -4.843546      17.03192 
1 1 1 1  17 37 o 41.90047 8.779725 21.37399       7.899237      20.87099       11.51943      21.86991       10.80389      41.30763 12.70837 42.49331 12.11741 -1.185677      17.55945 
1 1 1 1  17 38 o 46.74226 8.269691 27.70755       8.097604      17.75380       11.61152      37.66838       11.29272      37.22500 12.83795 56.25952 10.42776 -19.03452      16.53938 
1 1 1 1  17 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  17 41 f 81.57761 5.914024 80.26759       9.542846      80.48012       15.46550      80.12590       11.18645      79.05945 9.780932 84.09578 6.651020 -5.036331      11.82805 
1 1 1 1  17 42 f 23.20450 7.586378 -0.1310636     8.728126      15.33090       13.04968      -15.59302      11.59027      29.01445 12.47145 17.39454 8.641502 11.61991       15.17276 
1 1 1 1  18 0  o 22.56393 11.82278 7.452912       6.947787      7.452912       6.947787      7.452912       6.947787      22.56393 11.82278 22.56393 11.82278 0.000000       0.000000 
1 1 1 1  18 1  o 297.4130 2.737085 884.8563       16.28022      887.6901       23.08844      882.0225       22.96092      297.8891 3.875342 296.9369 3.866297 0.9522095      5.474170 
1 1 1 1  18 2  o 91.63947 3.156884 84.02238       5.788051      82.81801       8.104689      85.22675       8.260548      90.98276 4.453970 92.29617 4.475022 -1.313408      6.313768 
1 1 1 1  18 3  o 203.4510 2.441934 414.0192       9.939578      417.5615       14.17612      410.5478       13.92816      204.3123 3.469229 202.5897 3.437530 1.722580       4.883867 
1 1 1 1  18 4  o 305.1313 2.792801 931.6141       17.05243      957.1183       24.66121      906.1099       23.54894      309.3076 3.986517 300.9551 3.912368 8.352570       5.585601 
1 1 1 1  18 5  o 210.6627 2.490910 443.9159       10.49217      448.0249       14.94833      439.8777       14.73580      211.6290 3.531730 209.6964 3.513603 1.932648       4.981820 
1 1 1 1  18 6  o 434.9125 3.533714 1892.983       30.74681      1926.989       44.22156      1858.978       42.71964      438.8167 5.038729 431.0084 4.955779 7.808289       7.067428 
1 1 1 1  18 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 8  o 479.9418 4.463044 2306.010       42.84716      2342.142       61.52904      2269.879       59.64455      483.6980 6.360274 476.1855 6.262743 7.512482       8.926087 
1 1 1 1  18 9  o 455.4789 4.327626 2077.181       39.43243      2118.979       56.81783      2034.674       54.69248      460.0979 6.174538 450.8600 6.065351 9.237915       8.655252 
1 1 1 1  18 10 o 594.4985 5.344481 3540.134       63.52687      3538.008       89.97337      3541.551       89.76084      594.3485 7.569076 594.6486 7.547385 -0.3001099     10.68896 
1 1 1 1  18 11 o 604.3750 5.414601 3659.154       65.46095      3681.115       93.16142      3637.900       91.95705      606.1553 7.684616 602.5947 7.630092 3.560608       10.82920 
1 1 1 1  18 12 o 281.5682 3.298033 793.4660       18.57561      803.3843       26.55277      783.5477       25.97893      283.3270 4.685889 279.8093 4.642256 3.517670       6.596066 
1 1 1 1  18 13 o 43.90855 7.411914 20.32548       6.554596      13.70146       8.961915      26.94951       9.564099      36.83781 11.18439 50.97929 9.729098 -14.14148      14.82383 
1 1 1 1  18 14 o 293.4594 2.768786 862.1858       16.25188      848.7253       22.72713      874.9379       23.23722      291.2285 3.901942 295.6902 3.929319 -4.461639      5.537571 
1 1 1 1  18 15 o 465.0410 3.706215 2165.737       34.48035      2216.746       49.70498      2114.729       47.79924      470.5135 5.281993 459.5684 5.200449 10.94507       7.412430 
1 1 1 1  18 16 o 234.6888 2.492075 551.1046       11.69654      551.8130       16.52110      550.4670       16.56360      234.8324 3.517636 234.5452 3.531004 0.2871552      4.984150 
1 1 1 1  18 17 o 301.3328 2.747607 908.9437       16.55652      903.9844       23.27973      913.9028       23.55602      300.5117 3.873348 302.1538 3.898018 -1.642151      5.495213 
1 1 1 1  18 18 o 59.96812 3.971512 36.09562       4.761505      34.03402       6.638193      38.15722       6.827350      58.25166 5.697858 61.68459 5.534081 -3.432926      7.943025 
1 1 1 1  18 19 o 271.8912 2.593677 740.3321       14.10528      755.2096       20.19796      725.4547       19.69496      274.6224 3.677405 269.1600 3.658598 5.462463       5.187355 
1 1 1 1  18 20 o 99.67950 3.114529 99.60831       6.212414      94.50746       8.543928      104.7800       9.018591      97.10899 4.399144 102.2500 4.410069 -5.141006      6.229059 
1 1 1 1  18 21 o 259.5504 3.408126 675.7213       17.71838      666.7239       21.38816      684.6478       28.26014      257.9283 4.146144 261.1723 5.410248 -3.243988      6.816252 
1 1 1 1  18 22 o 161.8062 2.892936 262.4814       9.344479      268.9991       12.42624      255.9636       13.96358      163.8428 3.792124 159.7697 4.369911 4.073135       5.785873 
1 1 1 1  18 23 o 64.56120 3.638505 41.89784       4.680741      43.44226       6.045219      40.34633       7.148279      65.78548 4.594646 63.33692 5.643058 2.448555       7.277009 
1 1 1 1  18 24 o 173.8676 2.516626 303.2174       8.756464      296.4871       12.04368      309.8768       12.70963      171.9554 3.501978 175.7798 3.615213 -3.824402      5.033251 
1 1 1 1  18 25 o 184.4023 2.406362 341.2612       8.855647      321.2829       12.66712      361.2396       12.38374      178.9796 3.538705 189.8250 3.261882 -10.84544      4.812724 
1 1 1 1  18 26 o 25.60217 6.065548 6.255630       3.721497      4.117522       4.974040      8.395153       5.537259      22.57250 8.338034 28.63184 8.811397 -6.059343      12.13110 
1 1 1 1  18 27 o 19.95960 5.744012 0.6685659      3.828474      -3.219913      5.190118      4.556762       5.629357      16.06586 7.314520 23.85335 8.858470 -7.787491      11.48802 
1 1 1 1  18 28 o 42.97573 4.399543 18.73855       3.782424      17.80339       5.217039      19.66662       5.478457      41.90630 6.224648 44.04515 6.219139 -2.138847      8.799087 
1 1 1 1  18 29 o 66.85918 3.105834 45.22756       4.121772      51.56112       5.825599      38.89400       5.831975      71.59592 4.068388 62.12244 4.693936 9.473480       6.211668 
1 1 1 1  18 30 o 240.7650 2.554641 582.7724       12.31998      597.3665       18.47642      568.1075       16.29439      243.7260 3.790409 237.8040 3.426012 5.921951       5.109282 
1 1 1 1  18 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 32 o 93.83869 2.141207 88.62732       4.041009      94.36578       6.307346      82.81801       5.052678      96.86362 3.255787 90.81376 2.781890 6.049866       4.282413 
1 1 1 1  18 33 o 96.62341 2.150307 93.86986       4.147985      93.16142       6.819557      94.64915       4.723957      96.13987 3.546685 97.10695 2.432347 -0.9670792     4.300615 
1 1 1 1  18 34 o 83.74290 1.763701 70.73183       2.933699      79.77167       4.126731      61.70615       4.170656      89.13807 2.314797 78.34773 2.661631 10.79034       3.527402 
1 1 1 1  18 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  18 36 o 100.1928 4.907146 105.7010       9.840395      108.6057       14.36740      102.8672       13.44641      101.4486 7.081127 98.93707 6.795438 2.511482       9.814292 
1 1 1 1  18 37 o 62.83834 8.220937 47.40251       10.06001      48.32349       16.25188      46.48152       11.85948      61.23966 13.62539 64.43703 9.202382 -3.197365      16.44187 
1 1 1 1  18 38 o 40.93804 10.81330 23.44975       12.02243      20.56635       17.52001      26.33315       16.47150      38.99556 15.34395 42.88052 15.24050 -3.884956      21.62660 
1 1 1 1  18 39 o 24.94197 8.281682 -4.126023      10.74013      -11.61152      15.28131      3.359478       15.09711      22.61538 10.94597 27.26856 12.43104 -4.653185      16.56336 
1 1 1 1  18 40 o 46.92364 9.399970 33.99152       9.464915      24.84540       12.49709      43.13054       14.22571      39.89201 13.32741 53.95527 13.25963 -14.06326      18.79994 
1 1 1 1  18 41 o 23.72602 7.354613 3.461496       7.162447      8.919409       9.075267      -1.999251      11.08019      26.13599 10.76530 21.31604 10.02346 4.819946       14.70923 
1 1 1 1  18 42 o 18.57097 6.163020 -1.303551      5.825599      -1.885190      8.019674      -0.7219123     8.451830      18.14010 8.529302 19.00184 8.898443 -0.8617401     12.32604 
1 1 1 1  19 0  o 117.9468 9.496340 141.9737       22.11786      141.9737       22.11786      141.9737       22.11786      117.9468 9.496340 117.9468 9.496340 0.000000       0.000000 
1 1 1 1  19 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  19 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  19 3  o 148.4721 2.964409 220.6827       8.806056      233.0806       12.75213      208.3557       12.14286      152.6336 4.177366 144.3106 4.207196 8.322998       5.928818 
1 1 1 1  19 4  o 93.53136 3.917705 87.91887       7.289969      99.25409       10.37882      76.58364       10.23713      99.59042 5.210752 87.47229 5.851641 12.11813       7.835409 
1 1 1 1  19 5  o 38.72070 8.099578 15.15378       6.789093      18.22846       9.571183      12.08619       9.634944      41.90266 11.20142 35.53873 11.70217 6.363934       16.19916 
1 1 1 1  19 6  o 403.4075 3.453134 1628.731       27.86341      1626.605       39.38992      1630.148       39.41117      403.1880 4.884808 403.6269 4.882129 -0.4389343     6.906267 
1 1 1 1  19 7  o 51.35159 7.959232 27.50210       7.955913      28.06886       11.12269      26.93534       11.37065      51.89956 11.04544 50.80361 11.46280 1.095955       15.91846 
1 1 1 1  19 8  o 162.6141 3.266941 264.6068       10.62678      257.8056       14.81373      271.4787       15.23880      160.5134 4.614482 164.7147 4.625815 -4.201309      6.533882 
1 1 1 1  19 9  o 467.3751 3.809473 2186.282       35.61387      2152.277       49.65538      2220.996       51.06521      463.7056 5.354193 471.0446 5.420421 -7.339050      7.618947 
1 1 1 1  19 10 o 158.0232 3.025221 250.6502       9.627860      222.9498       12.10036      278.3507       14.98375      149.2699 4.053182 166.7765 4.492167 -17.50661      6.050442 
1 1 1 1  19 11 o 155.5668 2.732561 242.3614       8.494337      255.1843       12.10744      229.4675       11.92324      159.6989 3.790710 151.4348 3.936759 8.264084       5.465122 
1 1 1 1  19 12 o 383.6559 3.808746 1473.580       29.23072      1447.367       40.86350      1500.501       41.79865      380.1991 5.373960 387.1126 5.398772 -6.913513      7.617493 
1 1 1 1  19 13 o 142.1789 3.908169 202.4755       11.10852      196.9496       15.65678      208.0014       15.77014      140.2363 5.582285 144.1215 5.471127 -3.885147      7.816338 
1 1 1 1  19 14 o 212.0571 3.263578 450.6461       13.77230      480.6845       18.42683      420.6078       20.46717      219.1510 4.204140 204.9631 4.992893 14.18797       6.527156 
1 1 1 1  19 15 o 19.80222 6.479946 -7.757547      6.123857      -10.97392      8.735210      -4.540468      8.586436      18.40578 8.746609 21.19866 9.563242 -2.792879      12.95989 
1 1 1 1  19 16 o 126.4968 3.143068 160.9602       7.962997      182.1430       11.95158      139.7775       10.53468      134.8573 4.431195 118.1362 4.458701 16.72115       6.286136 
1 1 1 1  19 17 o 282.4556 2.687531 799.1337       15.18921      772.9209       20.92058      825.3463       22.02577      277.8256 3.765057 287.0857 3.836096 -9.260132      5.375062 
1 1 1 1  19 18 o 161.8132 2.397445 262.1980       7.757547      269.4951       11.00934      254.9009       10.93141      164.0673 3.355129 159.5591 3.425505 4.508179       4.794891 
1 1 1 1  19 19 o 58.74514 4.185877 35.45092       4.801886      24.88083       6.531217      46.02103       7.040594      49.75706 6.563106 67.73322 5.197298 -17.97616      8.371754 
1 1 1 1  19 20 o 39.95522 6.207652 17.22955       5.195786      7.828392       6.276883      26.63070       8.281801      28.52003 9.445251 51.39041 8.057731 -22.87038      12.41530 
1 1 1 1  19 21 o 532.0514 4.159426 2845.142       44.27824      2773.589       61.10397      2917.405       64.09364      525.3577 5.815463 538.7450 5.948420 -13.38727      8.318852 
1 1 1 1  19 22 o 41.08777 5.827977 17.71129       4.624773      16.32981       6.474541      19.09278       6.606313      39.40596 8.458914 42.76958 8.019230 -3.363625      11.65595 
1 1 1 1  19 23 o 78.10531 4.232653 62.66964       6.489419      45.44718       8.798972      79.91336       9.542846      67.09741 6.556863 89.11320 5.354339 -22.01579      8.465305 
1 1 1 1  19 24 o 153.3851 3.149122 236.6229       9.656199      252.1380       14.02026      221.1078       13.29764      158.4237 4.424926 148.3465 4.481954 10.07724       6.298244 
1 1 1 1  19 25 o 61.23901 4.874798 38.35558       5.899987      30.86724       8.203872      45.83683       8.487252      55.14113 7.438977 67.33690 6.302082 -12.19577      9.749596 
1 1 1 1  19 26 o 23.30069 6.109429 2.783507       4.274089      -3.446618      5.620856      9.011506       6.440535      16.73265 7.616467 29.86872 9.554575 -13.13607      12.21886 
1 1 1 1  19 27 o 66.41483 3.343777 44.50494       4.441284      41.18938       6.105437      47.82758       6.451871      63.93007 4.775091 68.89958 4.682083 -4.969513      6.687555 
1 1 1 1  19 28 o 103.6180 2.508232 107.8972       5.187284      114.6983       7.275800      101.1669       7.396237      106.8864 3.403521 100.3496 3.685234 6.536758       5.016463 
1 1 1 1  19 29 o 22.86810 6.104619 3.999210       3.823514      4.401611       5.375732      3.597518       5.438076      23.29772 8.655721 22.43848 8.610689 0.8592358      12.20924 
1 1 1 1  19 30 o 85.05885 3.217686 73.11222       5.470665      74.17490       7.488335      71.97870       7.977167      85.73116 4.367336 84.38655 4.726563 1.344604       6.435372 
1 1 1 1  19 31 o 94.33488 2.733305 89.68999       5.154695      90.46929       7.141194      88.98154       7.438744      94.74500 3.768639 93.92475 3.959949 0.8202515      5.466611 
1 1 1 1  19 32 o 151.9593 2.466224 233.4349       7.601687      205.6635       8.841478      261.2062       12.36957      143.0044 3.091331 160.9142 3.843529 -17.90979      4.932448 
1 1 1 1  19 33 o 85.57178 2.497415 73.89152       4.272672      71.41194       6.030342      76.37110       6.054429      84.12445 3.584179 87.01911 3.478792 -2.894661      4.994831 
1 1 1 1  19 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  19 35 o 73.07297 1.979845 53.84941       2.880565      57.22874       3.880899      50.47719       4.257795      75.40824 2.573259 70.73769 3.009566 4.670555       3.959691 
1 1 1 1  19 36 o 71.27807 7.572310 58.16389       8.813140      42.03953       17.24372      74.31659       3.661988      56.58168 14.99413 85.97446 2.129695 -29.39279      15.14462 
1 1 1 1  19 37 o 30.99361 9.141647 8.522675       9.500339      2.874897       11.77447      14.16904       14.91999      26.88662 11.70501 35.10060 14.04534 -8.213978      18.28329 
1 1 1 1  19 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  19 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  19 40 o 29.24300 7.527177 10.78972       6.447619      1.750584       9.025676      19.83665       9.209873      21.91038 9.848823 36.57562 11.38570 -14.66524      15.05435 
1 1 1 1  19 41 o 61.00877 5.795286 47.09787       7.034218      43.37142       10.05293      50.82433       9.840395      57.78361 8.698773 64.23393 7.659811 -6.450321      11.59057 
1 1 1 1  20 0  o 315.5863 4.420980 996.7917       27.89175      996.7917       27.89175      996.7917       27.89175      315.5863 4.420980 315.5863 4.420980 0.000000       0.000000 
1 1 1 1  20 1  o 133.4371 3.721485 178.1756       9.932493      173.9958       13.91399      182.4263       14.17612      131.8585 5.276109 135.0156 5.249807 -3.157166      7.442970 
1 1 1 1  20 2  o 297.2000 3.103500 884.1478       18.44808      869.9788       25.81598      897.6085       26.36149      294.8775 4.377409 299.5225 4.400586 -4.645050      6.207001 
1 1 1 1  20 3  o 422.8963 3.632628 1789.549       30.73264      1824.972       44.17197      1754.835       42.73381      427.0374 5.171909 418.7552 5.102481 8.282104       7.265257 
1 1 1 1  20 4  o 172.7042 3.282713 298.4707       11.33523      302.6506       15.91891      294.2909       16.14561      173.9151 4.576633 171.4933 4.707361 2.421799       6.565426 
1 1 1 1  20 5  o 210.5940 3.033212 443.9868       12.78047      423.7250       17.72546      464.2484       18.40558      205.7857 4.306777 215.4023 4.272372 -9.616638      6.066424 
1 1 1 1  20 6  o 241.3675 2.891635 583.0558       13.95650      567.3282       19.46825      598.7126       20.01376      238.1187 4.087931 244.6163 4.090848 -6.497589      5.783271 
1 1 1 1  20 7  o 444.3254 3.671772 1975.872       32.63129      1992.167       46.43901      1960.286       45.85100      446.1164 5.204810 442.5345 5.180501 3.581940       7.343543 
1 1 1 1  20 8  o 115.3427 3.332617 133.2598       7.679617      125.7502       10.89599      140.7694       10.81806      112.0870 4.860504 118.5984 4.560794 -6.511391      6.665234 
1 1 1 1  20 9  o 181.4405 5.836800 330.6344       21.21813      305.2010       28.38058      356.0679       31.55444      174.4591 8.133877 188.4219 8.373349 -13.96275      11.67360 
1 1 1 1  20 10 o 131.5753 3.451942 173.6415       9.082352      188.8733       13.21971      158.4098       12.45458      137.3593 4.812091 125.7913 4.950493 11.56799       6.903883 
1 1 1 1  20 11 o 251.7195 2.660264 634.0644       13.38974      627.6174       18.80231      640.5112       19.07861      250.4402 3.753853 252.9989 3.770492 -2.558716      5.320529 
1 1 1 1  20 12 o 113.8829 2.955748 129.9301       6.728167      138.0773       9.656199      121.7829       9.372816      117.4584 4.110475 110.3073 4.248503 7.151146       5.911496 
1 1 1 1  20 13 o 96.92925 3.132555 94.15324       6.074266      100.3168       8.820225      87.98971       8.352647      100.1059 4.405449 93.75266 4.454619 6.353195       6.265111 
1 1 1 1  20 14 o 131.9959 2.851713 174.6334       7.559181      186.6770       11.55485      162.5897       9.748297      136.5455 4.231135 127.4464 3.824470 9.099121       5.703427 
1 1 1 1  20 15 o 107.9217 2.889748 116.9654       6.237917      104.1424       8.451830      129.8592       9.174451      101.9711 4.144228 113.8724 4.028393 -11.90124      5.779496 
1 1 1 1  20 16 o 137.2144 3.158465 189.2275       8.657280      210.7644       12.65295      167.7614       11.82406      145.0402 4.361876 129.3886 4.569205 15.65163       6.316929 
1 1 1 1  20 17 o 63.34121 5.059647 40.33924       6.409364      40.67930       9.181536      40.00627       8.947746      63.60235 7.217921 63.08007 7.092371 0.5222778      10.11929 
1 1 1 1  20 18 o 271.8937 3.156103 741.0406       17.15870      747.4167       24.41325      734.6645       24.12987      273.0624 4.470269 270.7249 4.456528 2.337463       6.312206 
1 1 1 1  20 19 o 89.49767 4.475962 80.55096       8.005506      83.59731       11.33523      77.50462       11.31397      91.19913 6.214549 87.79620 6.443317 3.402931       8.951924 
1 1 1 1  20 20 o 216.1414 3.116434 468.6408       13.43933      482.8807       17.52001      454.4010       20.37507      219.4826 3.991207 212.8003 4.787370 6.682373       6.232868 
1 1 1 1  20 21 o 47.81869 5.321087 23.10970       5.089518      22.96092       7.045553      23.25847       7.346645      47.67376 7.389340 47.96362 7.658560 -0.2898560     10.64217 
1 1 1 1  20 22 o 144.0703 2.707808 208.2848       7.800055      205.5927       10.95975      210.9061       11.10852      143.1515 3.828026 144.9891 3.830813 -1.837662      5.415617 
1 1 1 1  20 23 o 65.65977 4.116612 43.65480       5.302762      37.72506       8.125941      49.57745       6.818140      61.10311 6.649369 70.21644 4.855088 -9.113331      8.233225 
1 1 1 1  20 24 o 77.37746 3.155267 60.21840       4.886900      58.31975       6.678575      62.10997       7.134109      76.16681 4.384177 78.58810 4.538925 -2.421288      6.310534 
1 1 1 1  20 25 o 100.2582 2.933958 101.0961       5.872357      104.5675       7.941744      97.55381       8.650196      102.0288 3.891912 98.48749 4.391521 3.541359       5.867915 
1 1 1 1  20 26 o 104.2957 3.203293 109.5266       6.679992      113.7774       9.535762      105.3468       9.358648      106.3099 4.484890 102.2816 4.574943 4.028259       6.406586 
1 1 1 1  20 27 o 22.41507 6.381083 0.1446659      4.909571      -6.765006      6.687785      7.054055       7.190785      16.73599 7.851316 28.09416 10.06130 -11.35817      12.76217 
1 1 1 1  20 28 o 126.3203 2.774011 160.6060       7.036344      154.1591       8.678535      167.0529       11.08019      123.8612 3.503332 128.7794 4.302002 -4.918266      5.548023 
1 1 1 1  20 29 o 117.1970 2.805992 138.2898       6.573724      139.9192       9.167366      136.7312       9.429493      117.8887 3.888146 116.5052 4.046811 1.383423       5.611983 
1 1 1 1  20 30 o 103.3846 3.258631 108.1806       6.735959      110.4476       9.344479      105.9135       9.698705      104.5041 4.470868 102.2651 4.741944 2.239021       6.517262 
1 1 1 1  20 31 o 81.41676 3.218601 67.30292       5.219872      75.30843       7.474166      59.29741       7.289969      86.32125 4.329274 76.51226 4.763922 9.808990       6.437201 
1 1 1 1  20 32 o 49.56857 4.345633 25.22088       4.299594      26.45359       5.963747      23.98109       6.195411      50.83982 5.865233 48.29733 6.413823 2.542488       8.691265 
1 1 1 1  20 33 o 29.25647 6.015579 9.301972       3.761879      7.481250       5.095185      11.12978       5.535134      26.65422 8.495439 31.85872 8.519171 -5.204500      12.03116 
1 1 1 1  20 34 o 49.35646 3.680310 25.18546       3.584766      29.52827       5.027883      20.83557       5.110063      53.76978 4.675380 44.94315 5.685029 8.826622       7.360620 
1 1 1 1  20 35 o 29.56979 4.858091 9.280719       2.988958      6.299554       4.877691      12.25622       3.456536      24.62790 8.326245 34.51169 5.007776 -9.883789      9.716182 
1 1 1 1  20 36 o 16.89731 4.199448 1.140607       2.224539      -3.825640      2.879857      6.106854       3.392067      10.24201 4.910728 23.55260 6.813679 -13.31059      8.398896 
1 1 1 1  20 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  20 38 o 20.76258 6.867571 -5.494752      7.226208      -1.128564      10.00334      -9.861650      10.44258      22.29256 10.15086 19.23260 9.252789 3.059969       13.73514 
1 1 1 1  20 39 f 80.75081 5.044877 74.17490       8.140111      72.12038       11.56902      76.22942       11.46275      79.42754 7.282750 82.07409 6.983172 -2.646553      10.08975 
1 1 1 1  20 40 o 30.33010 7.797146 14.16195       6.206746      16.94617       8.813140      11.37065       8.742295      32.91568 11.19200 27.74451 10.85915 5.171177       15.59429 
1 1 1 1  20 41 o 44.33487 7.313423 30.30048       6.449036      36.35066       9.344479      24.25031       8.891070      50.32156 9.628250 38.34819 11.01097 11.97337       14.62685 
1 1 1 1  21 0  o 19.72435 12.39936 2.332932       9.989170      2.332932       9.989170      2.332932       9.989170      19.72435 12.39936 19.72435 12.39936 0.000000       0.000000 
1 1 1 1  21 1  o 180.1941 3.147214 325.1085       11.37774      339.9860       17.47042      310.2310       14.58702      184.3104 4.739402 176.0778 4.142210 8.232605       6.294428 
1 1 1 1  21 2  o 387.4710 3.377630 1502.626       26.17729      1506.877       37.09454      1498.376       36.93867      388.0189 4.779992 386.9232 4.773386 1.095642       6.755260 
1 1 1 1  21 3  o 157.2520 3.214461 247.4622       10.12378      251.9255       15.26714      243.0698       13.29056      158.6514 4.811537 155.8528 4.263818 2.798599       6.428922 
1 1 1 1  21 4  o 164.0336 2.882177 269.2825       9.457831      268.1490       13.27639      270.3452       13.46767      163.6996 4.055106 164.3675 4.096816 -0.6679077     5.764355 
1 1 1 1  21 5  o 80.14285 4.283339 64.37701       6.861355      60.72141       9.613690      68.03263       9.790804      77.86326 6.173445 82.42243 5.939404 -4.559174      8.566677 
1 1 1 1  21 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  21 7  o 346.7856 3.107236 1203.660       21.55110      1209.327       30.56261      1197.992       30.39258      347.6019 4.396209 345.9692 4.392382 1.632629       6.214473 
1 1 1 1  21 8  o 250.4792 2.708956 627.8300       13.57394      625.7046       19.12820      629.9553       19.25572      250.0555 3.824790 250.9029 3.837285 -0.8473816     5.417912 
1 1 1 1  21 9  o 129.1593 2.883369 167.0529       7.438744      176.6170       10.45675      157.5597       10.57718      132.8486 3.935587 125.4700 4.215024 7.378616       5.766739 
1 1 1 1  21 10 o 254.8786 2.909316 650.4296       14.88457      623.0125       18.89441      677.9175       22.99634      249.5140 3.786243 260.2432 4.418241 -10.72925      5.818633 
1 1 1 1  21 11 o 174.3339 2.578331 304.1384       8.990252      298.3999       12.62461      309.9477       12.80172      172.6788 3.655519 175.9890 3.637081 -3.310181      5.156663 
1 1 1 1  21 12 o 323.9980 3.438359 1051.342       22.28789      1019.462       30.80348      1083.931       32.22039      319.0353 4.827598 328.9607 4.897300 -9.925385      6.876718 
1 1 1 1  21 13 o 95.57442 3.243258 91.53197       6.196828      94.15324       8.728126      88.91070       8.798972      96.94646 4.501519 94.20238 4.670249 2.744072       6.486516 
1 1 1 1  21 14 o 113.2164 2.915759 128.3715       6.606313      125.6794       9.096521      131.1344       9.578268      112.0167 4.060343 114.4161 4.185717 -2.399445      5.831519 
1 1 1 1  21 15 o 201.3375 2.524817 405.9429       10.16628      404.1718       14.28239      407.6432       14.47367      200.9082 3.554456 201.7668 3.586733 -0.8585510     5.049634 
1 1 1 1  21 16 o 190.0078 2.857242 362.0897       10.86057      385.8228       15.76305      338.3566       14.94125      196.2437 4.016193 183.7720 4.065159 12.47171       5.714484 
1 1 1 1  21 17 o 235.4571 2.940843 555.5679       13.85023      555.9221       19.53910      555.2845       19.63120      235.5260 4.147970 235.3882 4.169962 0.1378174      5.881687 
1 1 1 1  21 18 o 100.4738 3.267477 101.3794       6.552470      108.7474       9.259464      94.01155       9.273635      104.1406 4.445657 96.80698 4.789755 7.333603       6.534954 
1 1 1 1  21 19 o 108.3421 3.683730 118.2406       8.076350      130.2843       13.04968      106.1261       9.521592      113.8431 5.731434 102.8412 4.629270 11.00188       7.367461 
1 1 1 1  21 20 o 199.4839 3.317103 400.0627       13.16303      374.6293       19.71621      425.4961       17.44208      193.0568 5.106325 205.9110 4.235344 -12.85422      6.634206 
1 1 1 1  21 21 o 107.5135 3.454251 116.2569       7.424574      112.0771       10.37882      120.4368       10.62678      105.5765 4.915305 109.4505 4.854603 -3.873970      6.908502 
1 1 1 1  21 22 o 160.1962 2.999688 257.7348       9.613690      261.2770       13.68020      254.1925       13.50309      161.2973 4.240679 159.0950 4.243719 2.202316       5.999376 
1 1 1 1  21 23 o 65.55836 4.231122 43.54145       5.601020      48.26682       8.855647      38.81607       6.854979      69.07847 6.409846 62.03824 5.524801 7.040226       8.462243 
1 1 1 1  21 24 o 87.64819 3.444502 77.43378       6.063639      74.17490       7.424574      80.62181       9.592437      85.88732 4.322277 89.40906 5.364355 -3.521736      6.889004 
1 1 1 1  21 25 o 112.7648 3.040465 127.9464       6.855688      127.9464       9.486169      127.9464       9.904156      112.7798 4.205615 112.7497 4.392098 0.3010559E-01  6.080931 
1 1 1 1  21 26 o 113.8079 2.974564 130.4260       6.757921      138.7149       9.507423      122.1371       9.606606      117.4530 4.047330 110.1628 4.360188 7.290260       5.949128 
1 1 1 1  21 27 o 130.9857 2.922371 172.7206       7.651280      176.9713       10.54885      168.5407       11.08019      132.6165 3.977200 129.3550 4.282859 3.261490       5.844741 
1 1 1 1  21 28 o 61.74132 6.158564 40.62263       7.091603      29.15988       10.27255      52.08537       9.790804      52.03481 10.23551 71.44783 6.851716 -19.41302      12.31713 
1 1 1 1  21 29 o 93.74156 5.320253 90.75267       9.960832      93.65733       13.80772      87.84802       14.36740      95.35126 7.240452 92.13187 7.797195 3.219398       10.64051 
1 1 1 1  21 30 o 131.6974 2.867254 175.0584       7.566265      170.6660       9.606606      179.4508       11.69654      130.1473 3.690668 133.2475 4.389027 -3.100250      5.734509 
1 1 1 1  21 31 o 25.28173 6.555436 5.642110       4.364063      4.591476       6.077808      6.693452       6.264839      24.03065 9.137427 26.53282 9.402255 -2.502167      13.11087 
1 1 1 1  21 32 o 67.07444 3.507270 45.85100       4.705537      45.03628       6.599228      46.66572       6.708330      66.47760 4.963498 67.67128 4.956556 -1.193680      7.014540 
1 1 1 1  21 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  21 34 o 49.39980 3.835769 25.23505       3.781007      26.77239       5.280091      23.70480       5.413280      50.97266 5.179336 47.82693 5.659238 3.145729       7.671538 
1 1 1 1  21 35 f 115.1926 2.356034 134.8184       5.423198      137.2980       7.339560      132.3388       7.984251      116.3458 3.154200 114.0393 3.500659 2.306541       4.712069 
1 1 1 1  21 36 o 97.29967 2.373380 96.42028       4.668697      103.2923       7.750463      89.61916       5.209246      100.4864 3.856473 94.11292 2.767551 6.373482       4.746759 
1 1 1 1  21 37 o 42.37065 3.270282 19.17779       2.697784      22.90425       3.632941      15.45133       3.990001      46.88079 3.874658 37.86050 5.269345 9.020294       6.540563 
1 1 1 1  21 38 o 34.99738 6.164242 15.42300       5.010880      19.73038       9.691620      11.11561       2.553260      37.28424 11.69442 32.71053 3.902812 4.573719       12.32848 
1 1 1 1  21 39 o 62.98367 5.804975 48.65647       7.226208      58.11430       10.54885      39.19864       9.882903      70.05308 7.529182 55.91425 8.837553 14.13883       11.60995 
1 1 1 1  21 40 o 20.76123 6.668868 2.262795       6.028216      2.527048       8.756464      1.999251       8.281801      21.04614 9.560246 20.47632 9.300370 0.5698204      13.33774 
1 1 1 1  22 0  f 153.0375 4.038320 234.7809       12.34123      234.7809       12.34123      234.7809       12.34123      153.0375 4.038320 153.0375 4.038320 -0.000000      0.000000 
1 1 1 1  22 1  o 161.2860 2.793138 260.3560       9.011506      261.8438       12.70963      258.7974       12.77339      161.7585 3.928581 160.8135 3.971490 0.9449768      5.586277 
1 1 1 1  22 2  o 393.4836 3.385073 1550.093       26.64487      1518.921       37.05911      1581.264       38.29182      389.5294 4.756908 397.4378 4.817335 -7.908386      6.770146 
1 1 1 1  22 3  o 446.2430 3.673892 1994.292       32.79423      2022.630       46.94202      1965.245       45.80141      449.4510 5.222150 443.0351 5.169050 6.415924       7.347784 
1 1 1 1  22 4  o 249.4659 2.715946 622.7291       13.55268      624.5711       19.24155      620.9580       19.08569      249.8273 3.850970 249.1045 3.830860 0.7227783      5.431893 
1 1 1 1  22 5  o 199.1754 2.674942 397.0164       10.65512      404.9510       15.16795      389.0817       14.96959      201.1664 3.770001 197.1844 3.795833 3.981979       5.349884 
1 1 1 1  22 6  o 266.2355 2.770199 709.1602       14.74997      711.9940       20.89933      706.6807       20.82140      266.7340 3.917634 265.7369 3.917671 0.9971313      5.540398 
1 1 1 1  22 7  o 125.6699 3.143295 158.9057       7.807138      136.0936       11.34231      181.7179       10.73304      116.5904 4.864172 134.7495 3.982593 -18.15911      6.286590 
1 1 1 1  22 8  o 369.8186 3.226713 1369.437       23.87483      1333.306       33.01385      1405.568       34.49452      364.9428 4.523155 374.6944 4.603020 -9.751648      6.453427 
1 1 1 1  22 9  o 101.7928 3.883135 103.8590       7.906322      108.2514       11.38482      99.46662       10.97392      103.9468 5.476273 99.63879 5.506850 4.308006       7.766271 
1 1 1 1  22 10 o 171.2130 2.625209 293.4407       8.990252      287.7023       12.56085      299.2500       12.86548      169.5290 3.704632 172.8970 3.720563 -3.368011      5.250417 
1 1 1 1  22 11 o 215.3744 2.613821 464.4610       11.25730      470.9787       16.01101      457.9432       15.83390      216.8860 3.691112 213.8627 3.701883 3.023254       5.227643 
1 1 1 1  22 12 o 135.3146 4.002769 184.0558       10.77555      167.2655       15.55760      200.8461       14.91999      129.1016 6.025332 141.5276 5.271056 -12.42595      8.005539 
1 1 1 1  22 13 o 70.93385 4.559903 50.55512       6.466040      48.42268       9.046929      52.68756       9.245295      69.43404 6.514764 72.43366 6.381906 -2.999619      9.119806 
1 1 1 1  22 14 o 206.2237 2.925427 426.0629       12.06493      428.6133       17.00993      423.5833       17.11619      206.8347 4.111962 205.6127 4.162242 1.222000       5.850854 
1 1 1 1  22 15 o 59.27838 4.996196 35.37300       5.913447      37.20080       8.274716      33.55228       8.451830      60.82092 6.802525 57.73585 7.319396 3.085072       9.992393 
1 1 1 1  22 16 o 90.27152 3.249290 81.75533       5.867398      80.76351       8.111773      82.67632       8.480167      89.74738 4.519226 90.79566 4.669919 -1.048279      6.498580 
1 1 1 1  22 17 o 29.98425 6.892412 8.770633       4.761505      9.975000       6.636068      7.566265       6.830184      31.35607 9.645381 28.61242 9.848248 2.743645       13.78482 
1 1 1 1  22 18 o 98.34715 2.960689 96.98705       5.823474      96.13691       8.175533      97.90804       8.295970      97.89915 4.175488 98.79515 4.198572 -0.8960037     5.921377 
1 1 1 1  22 19 o 77.07623 3.530853 59.71540       5.443744      59.70123       7.658363      59.73665       7.736294      77.06678 4.968654 77.08567 5.017984 -0.1889038E-01 7.061706 
1 1 1 1  22 20 o 47.35147 5.008212 22.69880       4.733875      24.03777       6.626858      21.36691       6.761464      48.76713 6.794390 45.93581 7.359687 2.831322       10.01642 
1 1 1 1  22 21 o 74.90352 3.536312 56.44944       5.297802      55.08213       7.410406      57.82383       7.573349      73.99336 5.007480 75.81367 4.994712 -1.820313      7.072624 
1 1 1 1  22 22 o 54.45547 4.486106 30.01002       4.878399      31.20022       6.750837      28.81982       7.044845      55.56174 6.075077 53.34921 6.602578 2.212536       8.972213 
1 1 1 1  22 23 o 49.58901 8.898075 26.46067       9.011506      28.62854       10.81806      24.29281       14.40991      51.71572 10.81005 47.46231 14.13668 4.253410       17.79615 
1 1 1 1  22 24 o 140.5643 3.824043 200.2085       10.72596      222.1705       15.51509      178.1756       14.82081      148.3567 5.228982 132.7719 5.581306 15.58484       7.648087 
1 1 1 1  22 25 o 65.16560 5.952699 43.51311       7.736294      45.95018       10.54176      41.07603       11.31397      67.09023 7.856407 63.24097 8.945131 3.849255       11.90540 
1 1 1 1  22 26 o 79.72015 4.392745 64.66039       6.947787      58.22057       10.22296      71.12856       9.408240      75.62268 6.759189 83.81761 5.612329 -8.194931      8.785491 
1 1 1 1  22 27 o 39.62249 6.981039 17.10203       5.810721      9.139028       7.991336      25.06503       8.437660      30.73670 10.64545 48.50827 9.034048 -17.77158      13.96208 
1 1 1 1  22 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  22 29 o 68.14821 4.166876 47.38125       5.655571      50.61888       7.743378      44.14363       8.246379      70.56427 5.486755 65.73215 6.272714 4.832123       8.333752 
1 1 1 1  22 30 o 91.92205 3.479716 85.86436       6.371107      82.10956       9.656199      89.61916       8.310139      89.77256 5.378146 94.07154 4.416925 -4.298981      6.959431 
1 1 1 1  22 31 o 93.29849 3.696756 88.83985       6.898195      89.68999       9.826226      87.98971       9.684536      93.74015 5.241205 92.85683 5.214767 0.8833160      7.393512 
1 1 1 1  22 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  22 33 o 70.95968 3.350308 51.57529       4.750877      53.67231       6.691327      49.47827       6.745878      72.44416 4.618266 69.47520 4.854883 2.968964       6.700616 
1 1 1 1  22 34 o 93.63836 2.680091 89.54830       5.013005      80.26759       6.908822      98.82903       7.261631      88.72594 3.893350 98.55078 3.684208 -9.824844      5.360183 
1 1 1 1  22 35 o 20.81974 5.921316 2.748793       3.844059      0.7325392      5.234750      4.765047       5.630066      18.58343 7.940264 23.05606 8.786360 -4.472637      11.84263 
1 1 1 1  22 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  22 37 o 28.99912 5.011942 10.65512       3.271630      18.15762       5.425323      3.148360       3.657028      39.57856 7.112510 18.41968 7.063319 21.15888       10.02388 
1 1 1 1  22 38 o 26.31347 4.201532 7.927575       2.164320      7.495420       2.852935      8.359732       3.255336      25.69771 5.701381 26.92922 6.172986 -1.231506      8.403065 
1 1 1 1  22 39 o 23.42931 6.230760 8.409323       4.666572      12.92925       9.032760      3.880899       2.339308      28.47678 11.06007 18.38183 5.741446 10.09494       12.46152 
1 1 1 1  23 0  o 127.5797 4.202532 163.3690       10.69762      163.3690       10.69762      163.3690       10.69762      127.5797 4.202532 127.5797 4.202532 0.000000       0.000000 
1 1 1 1  23 1  o 167.0869 2.681854 279.4134       8.961915      274.1708       12.56085      284.6559       12.78755      165.5191 3.794380 168.6545 3.791050 -3.135391      5.363709 
1 1 1 1  23 2  o 376.8537 3.293309 1421.863       24.82415      1438.157       35.36591      1405.568       34.84166      379.0124 4.665535 374.6950 4.649336 4.317352       6.586618 
1 1 1 1  23 3  o 209.8870 2.663623 440.8696       11.17937      438.7442       15.73471      442.9949       15.89057      209.3815 3.757427 210.3925 3.776412 -1.011002      5.327245 
1 1 1 1  23 4  o 65.87031 4.652277 43.70439       6.092685      49.77583       8.692703      37.64004       8.536844      70.47478 6.167245 61.26583 6.967051 9.208942       9.304553 
1 1 1 1  23 5  o 42.76500 6.627778 19.02901       5.689576      25.53260       8.111773      12.51834       7.984251      50.42775 8.042966 35.10225 10.53662 15.32550       13.25556 
1 1 1 1  23 6  o 111.4336 3.155814 124.5458       7.022174      134.4642       10.01042      114.6275       9.847479      115.8826 4.319208 106.9845 4.602292 8.898109       6.311627 
1 1 1 1  23 7  o 262.6890 2.766932 690.9530       14.54451      705.7596       20.92767      676.2172       20.19088      265.4948 3.941258 259.8833 3.884604 5.611450       5.533865 
1 1 1 1  23 8  o 171.9975 3.048105 296.3454       10.48509      300.5961       14.87040      292.0947       14.78539      173.2323 4.292040 170.7626 4.329223 2.469711       6.096210 
1 1 1 1  23 9  o 229.1315 3.797333 526.5214       17.40666      539.5568       25.15712      513.5567       24.06610      231.9542 5.422865 226.3089 5.317094 5.645325       7.594666 
1 1 1 1  23 10 o 275.1677 3.205926 758.7519       17.64754      752.3758       24.76039      765.1279       25.14295      274.0135 4.518096 276.3219 4.549576 -2.308411      6.411851 
1 1 1 1  23 11 o 213.1564 3.356849 455.8179       14.25405      430.5970       21.22522      480.9679       19.02193      207.2211 5.121393 219.0916 4.341091 -11.87048      6.713698 
1 1 1 1  23 12 o 180.7193 2.618095 327.1630       9.464915      332.9724       13.53143      321.2829       13.23388      182.3332 3.710632 179.1053 3.694440 3.227905       5.236189 
1 1 1 1  23 13 o 176.3547 2.618209 311.5771       9.238212      303.9966       12.85132      319.1575       13.26930      174.2102 3.688450 178.4992 3.716909 -4.288925      5.236418 
1 1 1 1  23 14 f 126.4189 2.794661 160.1101       7.066098      159.4016       9.989170      160.8894       9.996255      126.1248 3.960034 126.7131 3.944446 -0.5882339     5.589322 
1 1 1 1  23 15 o 100.7041 3.126437 101.7337       6.297428      100.7418       8.841478      102.6547       8.969000      100.2313 4.410540 101.1770 4.432333 -0.9457016     6.252875 
1 1 1 1  23 16 o 168.1711 2.564966 283.4516       8.628942      288.4815       12.22788      278.4215       12.17120      169.6658 3.603519 166.6765 3.651145 2.989304       5.129933 
1 1 1 1  23 17 o 150.0274 2.582775 225.7127       7.750463      223.8708       10.92433      227.4839       10.99517      149.4266 3.655416 150.6282 3.649773 -1.201584      5.165550 
1 1 1 1  23 18 o 135.9486 2.674889 185.4018       7.268716      189.7234       10.27255      181.1511       10.29380      137.5255 3.734782 134.3718 3.830344 3.153671       5.349779 
1 1 1 1  23 19 o 31.33044 7.310412 9.663282       5.316222      9.606606       7.431659      9.712874       7.608772      31.21891 10.27743 31.44196 10.39917 -0.2230453     14.62082 
1 1 1 1  23 20 o 133.7431 3.042296 179.7342       8.140111      176.6879       11.27147      182.7806       11.74613      132.6173 4.249623 134.8689 4.354649 -2.251572      6.084592 
1 1 1 1  23 21 o 28.87166 6.853041 5.950995       5.435950      14.18321       7.502505      -2.279798      7.870899      36.52426 9.986985 21.21906 9.387053 15.30520       13.70608 
1 1 1 1  23 22 o 183.0974 2.885074 336.9396       10.56302      332.2639       14.65078      341.5446       15.23171      181.8476 4.028313 184.3471 4.131259 -2.499512      5.770148 
1 1 1 1  23 23 o 56.32133 5.027389 32.31248       5.665489      30.94518       7.821308      33.67271       8.196787      55.13450 7.092934 57.50817 7.126628 -2.373665      10.05478 
1 1 1 1  23 24 o 86.23363 3.369194 75.02505       5.803638      69.01029       8.069265      81.11773       8.345562      82.73486 4.876582 89.73240 4.650250 -6.997543      6.738388 
1 1 1 1  23 25 o 92.81079 3.397863 86.99788       6.317265      80.83435       8.494337      93.23225       9.351563      89.51182 4.744813 96.10976 4.865044 -6.597946      6.795727 
1 1 1 1  23 26 o 123.9270 3.939974 155.6469       9.762465      158.1973       13.74396      153.1673       13.87149      124.9495 5.499808 122.9045 5.643198 2.045021       7.879948 
1 1 1 1  23 27 o 73.51797 11.63134 63.22932       17.34998      56.38567       29.52119      70.06588       18.24972      66.24481 20.33689 80.79113 11.29438 -14.54632      23.26268 
1 1 1 1  23 28 o 30.74139 7.712702 5.647069       7.022174      16.93908       9.776634      -5.647778      10.08127      39.28372 11.63274 22.19905 10.13027 17.08467       15.42540 
1 1 1 1  23 29 o 98.86530 3.199646 99.04156       6.324349      100.3168       8.713958      97.76635       9.167366      99.54337 4.376965 98.18721 4.668310 1.356163       6.399292 
1 1 1 1  23 30 o 99.28671 3.121518 100.0334       6.203912      96.84536       8.487252      103.2214       9.046929      97.72719 4.342319 100.8462 4.485507 -3.119057      6.243036 
1 1 1 1  23 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  23 32 o 66.45355 4.222846 45.80141       5.632192      48.57854       8.579351      43.02428       7.297054      68.34931 6.276107 64.55780 5.651566 3.791512       8.445692 
1 1 1 1  23 33 o 43.16776 6.347077 21.00560       5.416822      25.80181       7.913406      16.20938       7.403321      48.88728 8.093524 37.44825 9.779388 11.43902       12.69415 
1 1 1 1  23 34 o 81.87422 3.471662 69.52037       5.708704      66.09147       7.190785      72.97054       8.862731      80.08392 4.489531 83.66452 5.296589 -3.580597      6.943324 
1 1 1 1  23 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  23 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  23 37 o 52.89285 2.968834 29.57786       3.166071      34.26781       4.943576      24.88791       3.957411      57.03036 4.334162 48.75533 4.058440 8.275028       5.937668 
1 1 1 1  23 38 o 22.15632 4.314970 4.240084       2.721872      -2.036799      4.304553      10.52051       3.331141      13.98908 6.477677 30.32357 5.702240 -16.33449      8.629939 
1 1 1 1  23 39 o 28.32860 3.978282 9.472000       2.223121      7.084518       2.935824      11.86657       3.338225      24.16660 6.075848 32.49060 5.137217 -8.323994      7.956565 
1 1 1 1  24 0  o 34.85723 12.74714 16.27314       8.168448      16.27314       8.168448      16.27314       8.168448      34.85723 12.74714 34.85723 12.74714 0.000000       0.000000 
1 1 1 1  24 1  f 257.0134 2.772614 661.5523       14.25405      680.1137       20.44592      643.0616       19.86499      260.6125 3.922667 253.4144 3.919468 7.198090       5.545228 
1 1 1 1  24 2  o 102.5755 3.321984 105.4885       6.806805      111.9354       9.684536      99.11240       9.571183      105.6995 4.581163 99.45141 4.811990 6.248116       6.643968 
1 1 1 1  24 3  o 140.0502 2.856899 196.5245       7.998421      190.0776       11.25730      202.9006       11.37065      137.7622 4.085771 142.3381 3.994240 -4.575867      5.713798 
1 1 1 1  24 4  o 88.51087 4.107124 78.85069       7.254546      69.66206       9.975000      88.06055       10.54176      83.32200 5.985815 93.69975 5.625289 -10.37775      8.214248 
1 1 1 1  24 5  o 153.6330 3.105071 236.4812       9.542846      233.8599       13.46058      239.1025       13.52434      152.7806 4.405200 154.4854 4.377223 -1.704834      6.210143 
1 1 1 1  24 6  o 263.3022 3.185282 694.8495       16.77614      711.2856       24.07319      678.2717       23.37182      266.4289 4.517751 260.1755 4.491550 6.253448       6.370565 
1 1 1 1  24 7  o 129.0354 3.360037 167.0529       8.671450      156.4970       12.04368      177.6089       12.46875      124.9503 4.819389 133.1206 4.683255 -8.170296      6.720073 
1 1 1 1  24 8  f 265.4677 2.808889 705.9014       14.91291      714.1194       21.19688      697.7542       20.98434      267.0066 3.969355 263.9287 3.975380 3.077850       5.617778 
1 1 1 1  24 9  f 205.7336 2.668707 423.9375       10.98100      422.8748       15.51509      425.0002       15.54343      205.4756 3.775411 205.9915 3.772833 -0.5159302     5.337415 
1 1 1 1  24 10 o 219.4319 2.661363 482.3140       11.68237      483.7309       16.49984      480.8971       16.53526      219.7551 3.754143 219.1086 3.773303 0.6464996      5.322726 
1 1 1 1  24 11 o 176.4023 3.027992 311.8605       10.68345      311.3646       15.01209      312.4272       15.20337      176.2542 4.258647 176.5503 4.305678 -0.2960510     6.055984 
1 1 1 1  24 12 o 99.69141 3.173375 99.82085       6.322224      107.1179       9.110690      92.45296       8.770633      103.3639 4.407094 96.01891 4.567138 7.345001       6.346750 
1 1 1 1  24 13 o 98.70618 3.248047 97.76635       6.412197      99.18325       9.167366      96.27859       8.969000      99.43857 4.609563 97.97378 4.577245 1.464790       6.496094 
1 1 1 1  24 14 o 75.25890 3.747535 57.00912       5.628649      51.92951       7.885069      62.09580       8.033843      71.88503 5.484500 78.63278 5.108457 -6.747757      7.495070 
1 1 1 1  24 15 o 163.5405 2.861142 268.4324       9.330310      254.8301       13.67312      282.1055       12.70254      159.3522 4.290220 167.7289 3.786629 -8.376663      5.722285 
1 1 1 1  24 16 o 107.4422 3.466245 116.0444       7.445828      115.3360       10.23713      116.7529       10.82514      107.1282 4.777979 107.7562 5.022980 -0.6279526     6.932489 
1 1 1 1  24 17 o 73.38542 4.318516 54.45161       6.303804      59.71540       8.735210      49.18072       9.089437      76.98680 5.673187 69.78403 6.512547 7.202766       8.637033 
1 1 1 1  24 18 o 34.33224 7.356900 12.21371       5.494043      11.27147       7.431659      13.15595       8.090520      33.12277 10.21094 35.54171 10.59399 -2.418938      14.71380 
1 1 1 1  24 19 o 61.65537 4.503849 38.44768       5.554262      38.36266       7.715039      38.53270       7.991336      61.59880 6.262330 61.71194 6.474709 -0.1131363     9.007698 
1 1 1 1  24 20 o 27.06365 6.677538 5.739168       4.863521      -0.1186657     6.615522      11.59735       7.134109      20.79627 8.907296 33.33102 9.950786 -12.53475      13.35508 
1 1 1 1  24 21 o 150.7055 2.624932 228.2632       7.913406      216.7862       10.86765      239.6692       11.51234      146.9279 3.698292 154.4831 3.726084 -7.555161      5.249864 
1 1 1 1  24 22 o 142.0562 2.707325 202.8297       7.693786      199.4292       10.71888      206.3011       11.03768      140.8577 3.804859 143.2548 3.852464 -2.397079      5.414650 
1 1 1 1  24 23 o 38.07914 7.408189 15.55760       5.817098      15.48676       8.260548      15.63553       8.189702      37.99539 10.51931 38.16290 10.43404 -0.1675072     14.81638 
1 1 1 1  24 24 o 84.39626 3.780501 72.33293       6.347728      81.68449       9.054014      62.96011       8.898154      89.93472 5.033659 78.85780 5.641900 11.07692       7.561002 
1 1 1 1  24 25 f 24.52563 7.014890 -2.296801      6.347728      9.294888       8.756464      -13.88566      9.195704      31.33143 11.11450 17.71983 8.561697 13.61160       14.02978 
1 1 1 1  24 26 o 78.59088 4.652459 63.39226       7.304138      58.32684       10.15211      68.45061       10.50634      75.40367 6.731843 81.77809 6.423688 -6.374420      9.304917 
1 1 1 1  24 27 o 42.82635 6.801879 20.03502       5.699495      17.57669       7.800055      22.48626       8.310139      40.10439 9.795466 45.54832 9.439867 -5.443928      13.60376 
1 1 1 1  24 28 o 120.6150 3.207308 147.4997       7.771716      139.8484       9.649114      155.2218       12.19245      117.6158 4.101964 123.6143 4.931653 -5.998535      6.414617 
1 1 1 1  24 29 o 111.5329 3.743382 127.0254       8.352647      126.1753       11.49109      127.8047       12.12161      111.2297 5.165476 111.8361 5.419364 -0.6063995     7.486765 
1 1 1 1  24 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  24 31 o 30.88390 7.449852 10.28672       5.555679      12.19245       8.451830      8.388069       7.212039      33.15027 10.96016 28.61753 10.09337 4.532743       14.89970 
1 1 1 1  24 32 o 31.52916 6.510632 10.88182       4.685700      15.90474       6.414322      5.860313       6.831601      37.57426 8.700063 25.48405 9.688251 12.09021       13.02126 
1 1 1 1  24 33 o 51.63502 5.219259 30.71138       4.825265      44.94418       6.958413      16.48567       6.687077      65.62286 5.301822 37.64718 8.991848 27.97569       10.43852 
1 1 1 1  24 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  24 35 o 55.85681 7.922631 41.01228       8.735210      52.71590       13.09927      29.30865       11.56193      65.71835 9.966224 45.99528 12.31855 19.72307       15.84526 
1 1 1 1  24 36 o 15.75787 5.113984 -2.160069      3.676156      -1.238374      5.081725      -3.081765      5.314096      16.17023 7.322546 15.34551 7.140844 0.8247175      10.22797 
1 1 1 1  24 37 f 40.82031 4.472655 19.29114       3.443075      23.76856       4.760796      14.81373       4.974748      46.70272 5.096915 34.93789 7.351192 11.76483       8.945310 
1 1 1 1  24 38 o 23.81254 5.586776 7.516674       3.127815      9.082352       4.820306      5.951704       3.987875      25.90242 8.263841 21.72267 7.520451 4.179745       11.17355 
1 1 1 1  25 0  o 147.4715 5.587695 218.7699       16.42900      218.7699       16.42900      218.7699       16.42900      147.4715 5.587695 147.4715 5.587695 -0.000000      0.000000 
1 1 1 1  25 1  o 84.52057 4.407634 71.83701       7.438744      66.04896       10.39299      77.64632       10.64803      81.09444 6.407954 87.94671 6.053683 -6.852272      8.815269 
1 1 1 1  25 2  o 163.1049 3.107380 266.5904       10.13795      263.3315       14.19029      269.8493       14.48075      162.1093 4.376766 164.1005 4.412160 -1.991196      6.214760 
1 1 1 1  25 3  o 468.1292 4.441984 2201.160       41.60029      2256.419       60.09089      2145.901       57.54754      473.9881 6.338861 462.2703 6.224447 11.71780       8.883968 
1 1 1 1  25 4  o 70.48807 4.455583 50.44176       6.181951      60.84893       8.763549      40.03461       8.721042      77.86954 5.627071 63.10658 6.909772 14.76296       8.911166 
1 1 1 1  25 5  o 191.3470 2.663182 366.6946       10.19462      364.7110       14.36740      368.7492       14.45950      190.8204 3.764641 191.8736 3.767976 -1.053238      5.326365 
1 1 1 1  25 6  o 192.8764 2.903832 372.7165       11.20062      372.4331       16.85407      373.0707       14.75705      192.7685 4.371583 192.9844 3.823380 -0.2158966     5.807664 
1 1 1 1  25 7  o 63.96719 4.535805 41.14688       5.797261      39.19864       8.182618      43.09512       8.218040      62.44504 6.551856 65.48934 6.274335 -3.044300      9.071609 
1 1 1 1  25 8  o 40.73959 7.490740 17.44917       6.339935      23.40016       9.082352      11.50526       8.848563      47.20088 9.933814 34.27829 11.21446 12.92259       14.98148 
1 1 1 1  25 9  o 33.73145 6.906423 11.25021       5.380691      18.46225       7.814223      4.031091       7.396237      41.89566 9.536950 25.56724 9.992062 16.32842       13.81285 
1 1 1 1  25 10 o 214.4807 2.678378 460.9896       11.49109      449.0168       16.02518      473.0333       16.47150      211.6873 3.785107 217.2742 3.790488 -5.586899      5.356756 
1 1 1 1  25 11 o 79.74879 3.886990 65.46803       6.008380      85.51013       8.657280      45.39759       8.331393      92.31683 4.688896 67.18076 6.200728 25.13606       7.773981 
1 1 1 1  25 12 o 22.75705 6.946311 -1.883773      5.976499      -6.602770      8.225125      2.835224       8.671450      19.46277 8.990047 26.05133 10.59170 -6.588556      13.89262 
1 1 1 1  25 13 o 68.42316 4.831816 47.29624       6.586476      50.34967       9.025676      44.24281       9.599521      70.67371 6.385456 66.17260 7.253396 4.501106       9.663632 
1 1 1 1  25 14 o 46.25468 6.714120 22.61378       5.999169      20.67262       8.543928      24.54785       8.430575      44.14569 9.919567 48.36367 9.050958 -4.217979      13.42824 
1 1 1 1  25 15 o 66.92583 4.730760 45.35508       6.320098      41.06187       8.791886      49.65538       9.082352      63.72704 6.898082 70.12462 6.475865 -6.397579      9.461519 
1 1 1 1  25 16 o 91.09387 3.335112 83.45561       6.071432      86.92703       8.565183      79.98421       8.607689      93.00047 4.604913 89.18727 4.825626 3.813194       6.670225 
1 1 1 1  25 17 o 47.61518 5.685078 23.55602       5.233334      27.09828       7.346645      20.01376       7.459997      51.70726 7.104076 43.52311 8.877644 8.184151       11.37016 
1 1 1 1  25 18 o 51.98905 5.151358 27.56586       5.336767      24.00943       7.389152      31.12937       7.700871      48.58215 7.604802 55.39595 6.950752 -6.813801      10.30272 
1 1 1 1  25 19 o 58.63074 4.863949 35.96101       5.482708      48.52895       7.984251      23.39308       7.516674      69.32591 5.758490 47.93556 7.840394 21.39035       9.727898 
1 1 1 1  25 20 o 52.18624 5.151274 27.74297       5.376441      26.56694       7.509589      28.92608       7.693786      51.06769 7.352583 53.30479 7.216787 -2.237099      10.30255 
1 1 1 1  25 21 o 68.83871 4.165284 47.94802       5.733500      48.03303       7.955913      47.85592       8.260548      68.91823 5.771995 68.75921 6.006866 0.1590195      8.330568 
1 1 1 1  25 22 o 66.83942 4.703923 46.87117       6.191869      30.65471       7.906322      63.08055       9.528677      54.81418 7.211931 78.86465 6.041159 -24.05047      9.407845 
1 1 1 1  25 23 o 66.17128 4.681217 44.59704       6.172740      41.35233       8.869816      47.84883       8.593520      63.69886 6.962304 68.64371 6.259511 -4.944851      9.362433 
1 1 1 1  25 24 o 99.69815 6.280090 103.4340       12.47583      106.2678       16.05352      100.5293       19.10695      101.4803 7.909672 97.91601 9.756804 3.564285       12.56018 
1 1 1 1  25 25 o 23.37281 7.015221 -3.369397      6.429908      -13.88566      8.798972      7.148279       9.379901      17.08417 8.275407 29.66146 11.33009 -12.57729      14.03044 
1 1 1 1  25 26 o 73.36968 4.597017 55.18131       6.755795      58.93610       9.975000      51.42651       9.110690      75.84912 6.575555 70.89024 6.425912 4.958878       9.194035 
1 1 1 1  25 27 o 92.25969 3.503567 86.50197       6.466040      85.86436       9.103605      87.13957       9.181536      91.92052 4.951890 92.59885 4.957694 -0.6783295     7.007135 
1 1 1 1  25 28 o 20.53805 6.298333 -2.365520      5.136275      3.608853       7.148279      -8.338477      7.374983      24.16637 9.700274 16.90974 8.036210 7.256634       12.59667 
1 1 1 1  25 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  25 30 o 63.35974 4.311896 41.70655       5.472790      38.17138       7.353730      45.23465       8.104689      60.68652 6.058784 66.03297 6.136850 -5.346451      8.623793 
1 1 1 1  25 31 o 25.25631 6.937942 3.683241       5.525924      8.735210       6.853562      -1.369437      8.671450      28.58244 9.862463 21.93018 9.760736 6.652266       13.87588 
1 1 1 1  25 32 o 38.17157 7.377970 17.68296       6.060097      23.72605       8.543928      11.64695       8.593520      44.80410 9.804036 31.53903 11.02808 13.26507       14.75594 
1 1 1 1  25 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  25 34 o 70.93610 3.903870 53.62271       5.533717      55.71973       7.771716      51.51862       7.877984      72.44807 5.363647 69.42413 5.673808 3.023933       7.807740 
1 1 1 1  25 35 o 97.09778 2.975004 98.61649       5.759713      103.3631       7.885069      93.79901       8.402238      99.69858 3.954454 94.49697 4.445771 5.201607       5.950007 
1 1 1 1  25 36 o 19.66609 6.005990 1.440991       4.505753      5.671157       6.517756      -2.788466      6.223749      22.83616 9.222609 16.49602 7.696177 6.340141       12.01198 
1 1 1 1  25 37 o 59.50207 3.737294 39.82915       4.512129      33.07761       5.362980      46.58779       7.254546      54.86376 4.887543 64.14038 5.655210 -9.276619      7.474589 
1 1 1 1  26 0  o 166.6812 3.934309 278.5632       13.09927      278.5632       13.09927      278.5632       13.09927      166.6812 3.934309 166.6812 3.934309 -0.000000      0.000000 
1 1 1 1  26 1  o 108.3944 3.648685 118.5240       7.885069      101.2378       10.77555      135.8102       11.51234      100.4328 5.364561 116.3561 4.947029 -15.92335      7.297370 
1 1 1 1  26 2  o 67.41361 5.203979 47.78507       6.677866      28.43017       8.997337      67.14706       9.875818      53.07541 8.475995 81.75182 6.040122 -28.67641      10.40796 
1 1 1 1  26 3  o 82.48174 4.411837 68.50020       7.254546      62.35793       10.25130      74.67081       10.27255      78.75016 6.508747 86.21331 5.957636 -7.463150      8.823673 
1 1 1 1  26 4  o 160.8383 3.152022 259.5059       10.13795      269.6367       14.61536      249.3042       14.06277      163.9905 4.456161 157.6860 4.459104 6.304489       6.304044 
1 1 1 1  26 5  o 208.7615 2.718180 436.6896       11.34940      435.0602       15.98976      438.3192       16.11019      208.3728 3.836815 209.1501 3.851346 -0.7773743     5.436361 
1 1 1 1  26 6  o 153.5726 2.784844 236.3395       8.558097      240.2360       12.24913      232.5139       11.94450      154.8255 3.955787 152.3197 3.920863 2.505753       5.569687 
1 1 1 1  26 7  o 72.53480 4.132667 52.99219       5.975082      57.93718       8.465999      48.04720       8.437660      75.94289 5.573925 69.12670 6.103041 6.816193       8.265333 
1 1 1 1  26 8  o 217.8720 3.520688 477.2840       15.24588      515.1862       20.41758      439.3818       22.63503      226.6136 4.504933 209.1304 5.411704 17.48318       7.041375 
1 1 1 1  26 9  o 21.94666 6.836487 -3.345309      6.017590      1.013795       8.310139      -7.700871      8.706873      24.21566 10.15970 19.67766 9.150444 4.538000       13.67297 
1 1 1 1  26 10 o 171.7941 3.744629 297.1247       12.87965      276.3670       17.52710      317.8115       18.86607      165.7972 5.285705 177.7911 5.305686 -11.99391      7.489257 
1 1 1 1  26 11 o 38.21851 7.797592 15.23880       6.425658      11.00934       8.976085      19.46117       9.195704      33.66784 11.29497 42.76919 10.75330 -9.101357      15.59518 
1 1 1 1  26 12 o 62.73226 4.534069 39.74414       5.690993      37.77465       7.863815      41.71364       8.225125      61.17561 6.427247 64.28891 6.397002 -3.113297      9.068138 
1 1 1 1  26 13 o 64.23883 4.380815 41.66405       5.622982      39.68747       7.962997      43.63354       7.941744      62.70235 6.349841 65.77531 6.037026 -3.072960      8.761630 
1 1 1 1  26 14 f 223.0414 2.967698 499.6003       13.21263      511.2188       17.31456      488.0524       19.96417      225.7043 3.835674 220.3785 4.529519 5.325821       5.935397 
1 1 1 1  26 15 f 62.81675 4.523942 40.07712       5.664781      34.61496       7.778800      45.53928       8.239295      58.48873 6.649828 67.14477 6.135470 -8.656036      9.047884 
1 1 1 1  26 16 o 114.0626 3.026735 130.8510       6.901029      126.2461       9.691620      135.4560       9.833311      112.0485 4.324743 116.0767 4.235695 -4.028198      6.053471 
1 1 1 1  26 17 o 143.3145 2.756347 206.5137       7.906322      194.6825       10.73304      218.2740       11.61861      139.2246 3.854580 147.4044 3.941066 -8.179825      5.512694 
1 1 1 1  26 18 o 106.8049 3.153156 114.8400       6.733126      114.2733       9.549930      115.3360       9.500339      106.5543 4.481249 107.0554 4.437114 -0.5010605     6.306313 
1 1 1 1  26 19 o 164.3864 2.745262 271.7621       9.025676      279.8385       12.87257      263.6149       12.65295      166.8462 3.857616 161.9267 3.907000 4.919510       5.490523 
1 1 1 1  26 20 o 146.5168 2.875774 216.7154       8.423491      242.0780       12.37665      191.2820       11.42733      155.1498 3.988614 137.8839 4.143822 17.26588       5.751547 
1 1 1 1  26 21 o 85.16315 3.883348 73.89152       6.553179      85.79351       9.309056      61.93286       9.224042      92.16299 5.050322 78.16331 5.900494 13.99968       7.766697 
1 1 1 1  26 22 o 27.89012 7.690845 5.392026       6.205329      6.252087       8.607689      4.531966       8.940661      28.44853 10.85750 27.33170 10.89546 1.116837       15.38169 
1 1 1 1  26 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  26 24 o 78.33784 4.496734 62.73340       7.049096      60.88435       9.741212      64.58246       10.18754      77.19630 6.309377 79.47939 6.408917 -2.283089      8.993467 
1 1 1 1  26 25 o 47.20861 6.546943 24.10861       5.965872      23.45684       8.125941      24.75331       8.735210      46.63367 9.034975 47.78355 9.477292 -1.149879      13.09389 
1 1 1 1  26 26 o 57.58006 5.945456 34.76373       6.832309      36.47818       9.415324      33.04927       9.897071      59.13744 7.960545 56.02269 8.833092 3.114750       11.89091 
1 1 1 1  26 27 o 27.43363 7.236183 6.344185       5.470665      9.479085       7.707955      3.208578       7.764632      30.37801 10.46136 24.48925 10.00046 5.888763       14.47237 
1 1 1 1  26 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  26 29 o 61.03334 4.579025 38.91526       5.590393      35.53594       7.658363      42.29457       8.140111      58.34441 6.563066 63.72228 6.387178 -5.377876      9.158050 
1 1 1 1  26 30 o 31.44932 7.113706 10.97392       5.196494      14.14070       7.247461      7.814223       7.445828      35.01633 9.905259 27.88231 10.21299 7.134018       14.22741 
1 1 1 1  26 31 o 26.08608 7.138542 6.443369       5.312680      5.041343       7.261631      7.842561       7.757547      24.61965 9.817699 27.55251 10.36571 -2.932861      14.27708 
1 1 1 1  26 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  26 33 o 42.52887 6.801960 22.22413       5.693118      22.49334       7.098687      21.95492       8.898154      43.75372 8.412241 41.30402 10.69116 2.449703       13.60392 
1 1 1 1  26 34 o 22.22558 6.666440 3.347435       5.162488      1.825680       7.148279      4.869897       7.452912      20.94820 9.119950 23.50297 9.725850 -2.554773      13.33288 
1 1 1 1  26 35 o 17.92344 5.743310 -0.3702369     4.442701      -0.1654943     6.972582      -0.5749795     5.508212      18.90320 8.567843 16.94368 7.650783 1.959524       11.48662 
1 1 1 1  26 36 f 16.30169 5.214569 -0.6887568     3.717955      -3.047760      5.231208      1.670529       5.284342      14.67662 6.897289 17.92677 7.822681 -3.250145      10.42914 
1 1 1 1  27 0  o 12.80509 8.890410 -5.078182      7.396237      -5.078182      7.396237      -5.078182      7.396237      12.80509 8.890410 12.80509 8.890410 -0.000000      0.000000 
1 1 1 1  27 1  o 44.37521 6.293585 20.51676       5.469956      24.96584       7.729208      16.06769       7.743378      49.72430 7.772064 39.02612 9.901104 10.69819       12.58717 
1 1 1 1  27 2  o 63.48690 4.551554 40.58012       5.777424      41.40900       8.048012      39.75831       8.288886      64.14326 6.273467 62.83054 6.596224 1.312729       9.103107 
1 1 1 1  27 3  o 63.66161 4.573426 41.14688       5.778841      33.73647       7.955913      48.55729       8.380984      57.85296 6.875978 69.47027 6.032066 -11.61731      9.146852 
1 1 1 1  27 4  o 82.39835 4.369166 68.37268       7.197870      70.67515       10.25130      66.06313       10.10961      83.79382 6.116977 81.00288 6.240276 2.790932       8.738333 
1 1 1 1  27 5  o 202.2909 3.802965 411.4688       15.38757      400.8420       21.40233      422.0956       22.11786      199.6821 5.359102 204.8998 5.397240 -5.217728      7.605930 
1 1 1 1  27 6  o 125.1687 4.155736 157.8430       10.39299      164.9984       14.54451      150.6169       14.84206      128.0496 5.679250 122.2877 6.068501 5.761894       8.311473 
1 1 1 1  27 7  o 38.01529 9.740404 12.62461       9.734127      12.73088       11.20771      12.51834       15.91891      36.60530 12.61385 39.42527 14.84562 -2.819969      19.48081 
1 1 1 1  27 8  o 62.51254 5.189422 39.55995       6.480917      37.77465       9.252379      41.33816       9.075267      61.08034 7.573943 63.94473 7.096181 -2.864388      10.37884 
1 1 1 1  27 9  o 130.1524 3.209102 170.3118       8.380984      161.3853       10.88890      179.2383       12.73796      126.7710 4.294714 133.5337 4.769568 -6.762733      6.418205 
1 1 1 1  27 10 o 46.27458 6.522966 23.22305       5.949578      35.61387       8.253463      10.83223       8.572267      59.34237 6.954107 33.20680 11.03797 26.13556       13.04593 
1 1 1 1  27 11 o 44.72818 6.498715 21.17562       5.622273      18.73146       7.842561      23.61978       8.055097      42.01973 9.546705 47.43663 8.820069 -5.416904      12.99743 
1 1 1 1  27 12 o 103.8718 3.331656 108.5348       6.918740      114.3441       9.911241      102.7963       9.656199      106.6436 4.646900 101.1000 4.775569 5.543602       6.663313 
1 1 1 1  27 13 o 126.4140 2.977220 160.6060       7.530843      155.5760       10.51342      165.7069       10.77555      124.4183 4.225031 128.4098 4.195767 -3.991508      5.954440 
1 1 1 1  27 14 o 34.03784 7.292653 12.05785       5.409738      10.57010       7.580434      13.54560       7.722124      32.28767 10.36943 35.78802 10.25700 -3.500347      14.58531 
1 1 1 1  27 15 o 66.53485 4.534683 45.34092       5.926199      55.30175       8.416408      35.38717       8.345562      74.01434 5.685660 59.05537 7.065879 14.95897       9.069366 
1 1 1 1  27 16 o 156.7410 2.823031 246.9663       8.848563      253.1298       12.46875      240.8028       12.55377      158.7099 3.928158 154.7722 4.055563 3.937729       5.646063 
1 1 1 1  27 17 o 129.6434 3.021106 169.3200       7.821308      180.5844       11.10852      158.1264       11.01642      133.9706 4.145882 125.3162 4.395452 8.654388       6.042212 
1 1 1 1  27 18 o 112.7677 3.210649 128.0881       7.240376      124.5458       10.08835      131.6304       10.39299      111.2089 4.535767 114.3264 4.545314 -3.117508      6.421298 
1 1 1 1  27 19 o 22.46027 6.843611 -0.3025089     5.586851      0.1025130      7.792970      -0.7075309     8.005506      22.59097 9.671476 22.32957 9.685173 0.2613983      13.68722 
1 1 1 1  27 20 o 125.4127 3.576277 158.9766       8.919409      168.6115       11.70362      149.4125       13.46058      129.3271 4.524813 121.4983 5.539413 7.828873       7.152554 
1 1 1 1  27 21 o 36.30667 8.464341 13.14178       7.523758      6.148653       10.44966      20.13420       10.82514      29.91298 11.82471 42.70037 12.11431 -12.78739      16.92868 
1 1 1 1  27 22 o 83.63390 4.895387 72.26208       8.097604      83.38477       11.34231      61.13939       11.56193      90.30497 6.280005 76.96281 7.511376 13.34216       9.790773 
1 1 1 1  27 23 o 106.3572 3.540734 114.8400       7.516674      124.6875       10.69054      105.0634       10.56302      110.9613 4.817237 101.7532 5.190511 9.208138       7.081467 
1 1 1 1  27 24 o 39.37583 7.782023 17.20121       6.492253      12.67420       8.961915      21.72113       9.394071      34.52600 11.28606 44.22566 10.71748 -9.699657      15.56405 
1 1 1 1  27 25 o 59.81304 5.212186 37.38500       6.201787      31.20022       8.473083      43.57687       9.061099      54.71574 7.742821 64.91034 6.979703 -10.19460      10.42437 
1 1 1 1  27 26 o 50.68655 6.699446 28.15387       6.601354      32.92884       9.316141      23.37891       9.358648      55.81638 8.345347 45.55673 10.48263 10.25964       13.39889 
1 1 1 1  27 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  27 28 o 28.87268 7.240338 8.494337       5.317639      6.262005       7.552096      10.71888       7.488335      26.57207 10.16164 31.17329 10.31654 -4.601227      14.48068 
1 1 1 1  27 29 o 37.37733 6.933321 16.16687       5.273715      17.56960       7.247461      14.77122       7.665448      39.14995 9.367537 35.60471 10.22414 3.545238       13.86664 
1 1 1 1  27 30 o 58.86391 4.967235 37.47710       5.828433      31.90867       7.941744      43.04553       8.529759      54.29259 7.313838 63.43522 6.723205 -9.142628      9.934470 
1 1 1 1  27 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  27 32 o 45.21109 6.336717 24.44867       5.528049      25.70263       8.005506      23.19471       7.630026      46.41614 8.942741 44.00605 8.980163 2.410091       12.67343 
1 1 1 1  27 33 o 16.96294 5.542195 -3.100185      4.454036      -5.647069      6.288927      -0.5533008     6.309471      15.53468 7.400825 18.39121 8.251758 -2.856531      11.08439 
1 1 1 1  27 34 o 20.75521 6.123004 3.569180       4.254253      4.510713       5.967289      2.626939       6.064347      21.53757 8.776344 19.97285 8.540521 1.564716       12.24601 
1 1 1 1  27 35 o 22.94284 6.520708 5.652737       4.995294      8.366816       5.819932      2.940075       8.118857      24.83999 9.036078 21.04569 9.403606 3.794308       13.04142 
1 1 1 1  28 0  o 56.25885 12.65515 36.47818       12.40499      36.47818       12.40499      36.47818       12.40499      56.25885 12.65515 56.25885 12.65515 -0.000000      0.000000 
1 1 1 1  28 1  o 107.7822 3.801780 116.8945       8.196787      119.5158       11.76030      114.3441       11.42024      108.9716 5.396037 106.5928 5.356950 2.378853       7.603560 
1 1 1 1  28 2  o 92.48508 4.103076 86.21858       7.587519      85.08506       10.67637      87.28126       10.78972      91.89510 5.808998 93.07507 5.796247 -1.179962      8.206152 
1 1 1 1  28 3  o 106.0141 3.832732 113.4940       8.097604      100.7418       11.31397      126.2461       11.59027      100.0082 5.656524 112.0200 5.173305 -12.01179      7.665464 
1 1 1 1  28 4  o 137.1455 2.944005 188.9441       8.076350      196.1703       11.65403      181.6470       11.18645      139.7818 4.168653 134.5093 4.158246 5.272461       5.888011 
1 1 1 1  28 5  o 92.83466 3.621157 86.71449       6.722499      85.36844       9.507423      88.06055       9.507423      92.10969 5.160925 93.55964 5.080943 -1.449951      7.242315 
1 1 1 1  28 6  o 45.81388 6.517632 22.20996       5.766797      19.48951       8.026759      24.93042       8.281801      42.86314 9.603033 48.76462 8.814751 -5.901482      13.03526 
1 1 1 1  28 7  o 182.3809 3.244219 334.6018       11.83114      314.9777       16.39357      354.1551       17.06660      177.0289 4.630198 187.7330 4.545447 -10.70412      6.488438 
1 1 1 1  28 8  o 148.5968 2.870422 221.8871       8.522675      208.5682       11.93741      235.2060       12.17120      144.1210 4.141457 153.0726 3.975630 -8.951660      5.740844 
1 1 1 1  28 9  o 103.5087 3.802876 108.8890       7.828392      88.20225       10.59135      129.6467       11.52651      93.53094 5.661952 113.4864 5.078365 -19.95549      7.605753 
1 1 1 1  28 10 o 103.4898 3.777130 108.1097       7.807138      101.0252       10.93850      115.1234       11.15103      100.0921 5.464215 106.8876 5.216244 -6.795456      7.554260 
1 1 1 1  28 11 o 105.3878 3.758637 112.0062       7.927575      110.1643       11.04476      113.8482       11.36357      104.5265 5.283234 106.2492 5.347603 -1.722626      7.517275 
1 1 1 1  28 12 o 30.91240 7.178167 6.957705       6.133067      17.81756       8.926493      -3.899319      8.409323      40.77694 10.78002 21.04786 9.481326 19.72908       14.35633 
1 1 1 1  28 13 o 109.3840 3.745014 120.9327       8.175533      109.0307       11.32106      132.8347       11.80989      103.9627 5.444771 114.8054 5.143441 -10.84267      7.490028 
1 1 1 1  28 14 o 77.45175 4.107184 60.67181       6.362606      60.09089       8.976085      61.25274       9.018591      77.07881 5.822667 77.82470 5.794170 -0.7458878     8.214369 
1 1 1 1  28 15 o 34.31408 7.287440 11.87365       5.794427      5.500420       8.168448      18.24263       8.225125      27.44650 10.54723 41.18166 10.05898 -13.73516      14.57488 
1 1 1 1  28 16 o 131.9312 3.039589 175.2001       8.019674      174.2791       11.34940      176.0503       11.33523      131.5950 4.312243 132.2673 4.284969 -0.6722717     6.079178 
1 1 1 1  28 17 o 32.72456 7.717854 10.65512       5.975791      12.55377       8.331393      8.756464       8.572267      34.63597 10.83856 30.81315 10.99030 3.822813       15.43571 
1 1 1 1  28 18 o 111.2930 3.496620 125.7502       7.750463      106.9054       10.63386      144.5950       11.27855      102.8578 5.169207 119.7282 4.710065 -16.87041      6.993240 
1 1 1 1  28 19 o 179.5234 3.100027 325.1085       11.12978      329.5009       15.64262      320.7161       15.83390      180.7563 4.326991 178.2906 4.440475 2.465698       6.200054 
1 1 1 1  28 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  28 21 o 42.19677 7.546916 19.70913       6.678575      11.42733       9.266549      27.98384       9.613690      33.54981 11.47627 50.84372 9.804028 -17.29391      15.09383 
1 1 1 1  28 22 o 36.03824 7.695937 13.94941       6.162114      17.78922       8.664365      10.10961       8.763549      40.15902 10.62235 31.91746 11.13892 8.241558       15.39187 
1 1 1 1  28 23 o 158.1468 2.990320 253.0590       9.457831      252.2797       13.24096      253.8383       13.51017      157.9192 4.192323 158.3743 4.265266 -0.4551697     5.980641 
1 1 1 1  28 24 o 43.37947 7.602319 21.16146       6.619065      24.36366       9.110690      17.95925       9.606606      46.87890 10.01111 39.88005 11.44372 6.998856       15.20464 
1 1 1 1  28 25 o 100.9916 10.92229 0.000000       0.000000      ?              ?             113.0689       22.06119      ?        ?        100.9916 10.92229 ?              ?        
1 1 1 1  28 26 o 31.95213 7.292433 10.81097       5.601020      15.82681       7.870899      5.792302       7.970083      37.27246 10.24594 26.63180 10.37974 10.64066       14.58487 
1 1 1 1  28 27 o 83.47676 3.914636 73.04137       6.439827      56.49195       8.869816      89.54830       9.337394      73.64978 6.021617 93.30374 5.003762 -19.65396      7.829273 
1 1 1 1  28 28 o 47.78218 6.210307 25.49718       5.800803      24.12987       8.281801      26.86449       8.125941      45.90178 9.345608 49.66257 8.181153 -3.760788      12.42061 
1 1 1 1  28 29 o 20.90219 6.502699 -1.476413      5.507504      3.539425       7.785885      -6.491544      7.792970      23.92764 9.923541 17.87674 8.406171 6.050909       13.00540 
1 1 1 1  28 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  28 31 o 21.14179 6.426877 -0.1059135     5.289301      -6.954163      7.382068      6.742336       7.580434      16.68915 7.968246 25.59443 10.08593 -8.905281      12.85375 
1 1 1 1  28 32 o 22.63438 6.650496 3.014462       5.285758      -2.488083      7.353730      8.515590       7.594603      18.52647 8.535789 26.74230 10.20082 -8.215830      13.30099 
1 1 1 1  28 33 o 22.19394 6.296472 3.004544       4.879108      10.61261       6.947787      -4.602103      6.852146      27.95095 9.901817 16.43693 7.780503 11.51402       12.59294 
1 1 1 1  28 34 o 25.31205 6.855672 8.954830       4.860687      9.656199       6.808222      8.253463       6.939286      26.02015 9.726245 24.60395 9.664427 1.416197       13.71134 
1 1 1 1  29 0  o 98.46549 4.951528 97.97889       9.698705      97.97889       9.698705      97.97889       9.698705      98.46549 4.951528 98.46549 4.951528 -0.000000      0.000000 
1 1 1 1  29 1  o 30.69693 7.797957 7.842561       6.305221      3.330432       8.671450      12.35540       9.153197      26.33371 10.63668 35.06015 11.40586 -8.726433      15.59591 
1 1 1 1  29 2  o 210.0116 3.228727 443.4200       13.55977      436.5480       19.12111      450.2211       19.23446      208.3872 4.587881 211.6360 4.544233 -3.248825      6.457454 
1 1 1 1  29 3  o 43.70513 7.521264 20.63720       6.650237      27.26122       9.889987      14.02026       8.891070      50.71819 10.10822 36.69206 11.14009 14.02613       15.04253 
1 1 1 1  29 4  o 80.40866 4.569121 65.39719       7.332476      62.76174       10.71179      68.03263       10.01751      78.74018 6.801986 82.07713 6.102496 -3.336952      9.138242 
1 1 1 1  29 5  o 44.29889 7.597971 21.14020       6.786968      27.23997       9.698705      15.04043       9.493254      50.69589 9.919305 37.90189 11.51191 12.79399       15.19594 
1 1 1 1  29 6  f 84.00596 3.907399 71.19940       6.561680      72.26208       9.160281      70.12965       9.401155      84.65017 5.410670 83.36175 5.638771 1.288422       7.814799 
1 1 1 1  29 7  o 91.36032 3.686346 84.30576       6.723916      76.08772       9.323226      92.59465       9.691620      86.85757 5.366962 95.86308 5.054929 -9.005508      7.372692 
1 1 1 1  29 8  o 97.74904 3.502068 96.34944       6.840810      102.5838       9.790804      90.11507       9.557014      100.9294 4.850325 94.56871 5.052947 6.360649       7.004137 
1 1 1 1  29 9  o 179.7759 3.252089 325.5336       11.69654      306.0512       16.07477      344.9452       16.99576      174.3984 4.608635 185.1534 4.589643 -10.75496      6.504179 
1 1 1 1  29 10 o 28.16550 7.433707 5.936118       5.785926      2.177072       8.005506      9.691620       8.359732      24.55140 10.11148 31.77959 10.89945 -7.228186      14.86741 
1 1 1 1  29 11 o 70.59633 4.596180 50.54095       6.486584      51.43360       8.983169      49.64122       9.358648      71.25120 6.303872 69.94147 6.690343 1.309731       9.192360 
1 1 1 1  29 12 o 170.2474 2.866889 291.5279       9.762465      288.4107       13.82190      294.7159       13.78647      169.3202 4.081583 171.1746 4.027020 -1.854385      5.733778 
1 1 1 1  29 13 o 47.38883 6.924974 24.12278       6.468165      15.20337       9.316141      33.04219       8.976085      37.89267 11.38306 56.88499 7.889676 -18.99233      13.84995 
1 1 1 1  29 14 o 57.28370 6.855126 34.47326       7.722124      31.71739       9.464915      37.22914       12.20662      55.59536 8.512324 58.97204 10.74762 -3.376675      13.71025 
1 1 1 1  29 15 o 32.87364 8.079347 10.28672       6.565223      8.076350       9.528677      12.49000       9.039845      30.91213 11.51611 34.83515 11.33501 -3.923014      16.15869 
1 1 1 1  29 16 o 46.47182 8.018011 23.59853       7.445828      19.46117       10.52051      27.72880       10.52759      42.30472 11.92360 50.63892 10.72295 -8.334206      16.03602 
1 1 1 1  29 17 o 51.59340 8.321463 29.47868       8.480167      36.61279       11.96575      22.34457       12.02243      58.23166 10.67217 44.95513 12.77074 13.27654       16.64293 
1 1 1 1  29 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  29 19 f 43.27824 8.043465 20.75764       7.282885      27.49501       10.26547      14.02734       10.33631      50.07663 10.57735 36.47986 12.12060 13.59677       16.08693 
1 1 1 1  29 20 o 32.54340 7.984646 10.44258       6.412906      7.870899       9.018591      13.02134       9.117774      30.02101 11.19976 35.06580 11.38348 -5.044788      15.96929 
1 1 1 1  29 21 o 48.67433 6.731687 25.76639       6.320098      25.70972       8.905238      25.83015       8.969000      48.62505 9.495764 48.72360 9.544259 -0.9854889E-01 13.46337 
1 1 1 1  29 22 o 49.35644 6.287029 26.12770       6.046636      28.41600       8.451830      23.83940       8.650196      52.11686 8.108538 46.59603 9.610336 5.520828       12.57406 
1 1 1 1  29 23 o 81.29855 4.204760 67.94761       6.835852      68.06097       9.500339      67.84134       9.833311      81.40540 5.835202 81.19170 6.055613 0.2136917      8.409520 
1 1 1 1  29 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  29 25 o 35.34944 7.587478 14.21154       5.836226      13.61644       8.048012      14.79956       8.451830      34.68385 10.61250 36.01504 10.84685 -1.331196      15.17496 
1 1 1 1  29 26 o 32.05909 7.428878 11.46275       5.598895      8.310139       7.778800      14.61536       8.055097      28.61798 10.44310 35.50021 10.56856 -6.882233      14.85776 
1 1 1 1  29 27 o 79.97701 4.104699 67.17540       6.560972      65.02171       9.294888      69.33617       9.266549      78.62224 5.911106 81.33177 5.696759 -2.709534      8.209398 
1 1 1 1  29 28 o 26.02994 7.266137 4.800469       5.938243      -0.7877984     8.295970      10.38590       8.494337      21.55033 9.572139 30.50955 10.93440 -8.959215      14.53227 
1 1 1 1  29 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  29 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  29 31 o 20.55497 6.465583 0.6901029      5.350228      1.421154       7.410406      -0.4094142E-01 7.722124      20.86513 9.182791 20.24481 9.104472 0.6203136      12.93117 
1 1 1 1  29 32 o 32.98314 6.086536 14.20446       4.731040      23.62687       6.775633      4.779924       6.604896      43.85142 8.024330 22.11486 9.153896 21.73656       12.17307 
1 1 1 1  29 33 o 26.33566 6.770072 9.925409       4.627607      8.940661       6.406529      10.91016       6.678575      25.31448 9.440408 27.35683 9.706399 -2.042353      13.54014 
1 1 1 1  30 0  o 25.65771 13.05588 9.967916       8.317224      9.967916       8.317224      9.967916       8.317224      25.65771 13.05588 25.65771 13.05588 0.000000       0.000000 
1 1 1 1  30 1  o 35.20340 7.383391 12.75213       5.819932      17.98759       8.345562      7.523758       8.111773      40.98918 10.20705 29.41763 10.67118 11.57155       14.76678 
1 1 1 1  30 2  o 50.19123 6.075489 26.46776       5.858188      32.24873       8.274716      20.67971       8.295970      56.34100 7.343424 44.04146 9.680929 12.29954       12.15098 
1 1 1 1  30 3  o 69.95177 4.417052 49.52078       6.170615      51.85158       8.657280      47.18998       8.798972      71.62428 6.043538 68.27926 6.443371 3.345016       8.834104 
1 1 1 1  30 4  o 21.96820 6.581221 -2.582307      5.532300      -10.47092      7.672533      5.308429       7.970083      16.77701 8.037157 27.15938 10.42372 -10.38237      13.16244 
1 1 1 1  30 5  o 89.34637 3.801501 80.55096       6.794053      81.47195       9.642029      79.55913       9.571183      89.87878 5.363908 88.81397 5.388332 1.064804       7.603002 
1 1 1 1  30 6  f 174.2949 3.382935 305.9803       11.79572      308.3891       16.69821      303.5007       16.65570      174.9944 4.771069 173.5953 4.797280 1.399155       6.765870 
1 1 1 1  30 7  o 78.27521 5.004143 62.34376       7.828392      58.73774       10.91016      65.95686       11.23604      75.98878 7.178795 80.56163 6.973571 -4.572845      10.00829 
1 1 1 1  30 8  o 70.69147 5.435568 51.18564       7.672533      56.81075       11.18645      45.55345       10.51342      74.62638 7.494972 66.75655 7.874452 7.869835       10.87114 
1 1 1 1  30 9  o 87.75790 4.768369 78.21307       8.366816      77.64632       11.57610      78.85069       12.09327      87.44550 6.619039 88.07031 6.865691 -0.6248169     9.536738 
1 1 1 1  30 10 o 31.27187 7.734580 9.202788       5.977208      8.699788       8.416408      9.705790       8.494337      30.73834 10.89731 31.80541 10.97924 -1.067070      15.46916 
1 1 1 1  30 11 o 120.6437 3.345733 146.7204       8.069265      146.3661       11.37065      147.0746       11.46275      120.5008 4.718081 120.7866 4.745042 -0.2857819     6.691465 
1 1 1 1  30 12 o 24.01176 6.916896 -1.968079      6.087726      -12.42624      8.621859      8.494337       8.593520      17.44548 8.396564 30.57803 10.99416 -13.13255      13.83379 
1 1 1 1  30 13 o 64.32417 5.412443 42.39376       6.964789      39.04986       9.528677      45.73056       10.15920      61.77488 7.712419 66.87345 7.595839 -5.098568      10.82489 
1 1 1 1  30 14 o 26.95168 7.696499 2.918113       6.630400      7.353730       9.124859      -1.515378      9.627860      29.91876 11.24488 23.98461 10.51176 5.934153       15.39300 
1 1 1 1  30 15 o 91.52715 4.845287 85.65182       8.869816      84.94337       12.34832      86.43112       12.73796      91.15324 6.773382 91.90105 6.930260 -0.7478027     9.690574 
1 1 1 1  30 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  30 17 o 84.29407 4.810437 72.82884       8.104689      74.38744       11.43441      71.34109       11.49817      85.20350 6.710060 83.38464 6.894659 1.818855       9.620874 
1 1 1 1  30 18 o 86.42340 4.828154 77.00871       8.281801      88.48563       11.84531      65.58138       11.59027      93.02497 6.366739 79.82182 7.260089 13.20315       9.656307 
1 1 1 1  30 19 o 37.00263 7.918454 13.89274       7.190785      3.094517       9.939578      24.68954       10.39299      26.97536 11.20147 47.02990 11.19530 -20.05453      15.83691 
1 1 1 1  30 20 o 69.97133 5.521705 51.36275       7.658363      60.09089       11.02351      42.62754       10.64095      76.15992 7.237081 63.78274 8.341557 12.37718       11.04341 
1 1 1 1  30 21 o 113.2254 3.719212 131.0636       8.458915      121.6412       10.87473      140.4860       12.95758      109.2719 4.976000 117.1789 5.528976 -7.907013      7.438424 
1 1 1 1  30 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  30 23 o 78.22444 4.267867 63.39935       6.680700      60.57971       9.188620      66.21191       9.698705      76.49947 6.005675 79.94940 6.065527 -3.449928      8.535733 
1 1 1 1  30 24 o 55.62518 5.688387 33.28306       6.279008      37.46293       8.827310      29.10320       8.933578      59.40600 7.429645 51.84436 8.615765 7.561638       11.37677 
1 1 1 1  30 25 o 51.83601 6.881793 31.22855       6.951329      20.29006       9.146112      42.17413       10.47092      41.36529 10.90095 62.30672 8.402719 -20.94143      13.76359 
1 1 1 1  30 26 o 47.69278 7.219122 27.41000       6.889693      36.94576       9.727042      17.87424       9.762465      57.65509 8.435546 37.73048 11.71770 19.92461       14.43824 
1 1 1 1  30 27 o 37.36360 8.650337 18.34182       8.239295      30.61929       12.63878      6.064347       10.58427      47.42479 12.96004 27.30241 11.46083 20.12238       17.30067 
1 1 1 1  30 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  30 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  30 30 o 30.33039 6.953434 12.10036       4.917363      9.160281       6.814599      15.04043       7.091603      26.96902 9.781014 33.69176 9.885986 -6.722738      13.90687 
1 1 1 1  30 31 o 32.26528 6.956109 14.53035       4.894693      15.02626       6.890402      14.04151       6.954871      32.90641 9.770265 31.62414 9.904126 1.282272       13.91222 
1 1 1 1  30 32 o 27.70315 6.814360 11.23604       4.654528      12.37665       6.505004      10.08835       6.660155      29.05346 9.615355 26.35284 9.658516 2.700619       13.62872 
1 1 1 1  31 0  o 52.03600 9.004024 29.45742       8.600604      29.45742       8.600604      29.45742       8.600604      52.03600 9.004024 52.03600 9.004024 -0.000000      0.000000 
1 1 1 1  31 1  o 37.70899 7.524470 15.04752       6.163530      20.63720       8.763549      9.450747       8.671450      43.79589 10.18789 31.62208 11.07598 12.17381       15.04894 
1 1 1 1  31 2  o 35.41543 6.790021 11.77447       6.027507      -1.042841      8.416408      24.58328       8.628942      22.72629 9.895006 48.10458 9.300881 -25.37829      13.58004 
1 1 1 1  31 3  o 34.48292 7.608120 12.07910       6.031758      7.289969       8.409323      16.86824       8.650196      29.35689 10.84202 39.60896 10.67635 -10.25207      15.21624 
1 1 1 1  31 4  o 151.7510 2.991365 231.7346       9.075267      234.9226       12.75922      228.4757       12.91508      152.8187 4.174626 150.6833 4.285504 2.135406       5.982729 
1 1 1 1  31 5  o 27.24434 7.241590 3.425364       6.025383      -4.794094      8.473083      11.64695       8.572267      20.62055 9.376863 33.86813 11.03798 -13.24758      14.48318 
1 1 1 1  31 6  o 61.04146 5.428838 38.20681       6.578683      43.58395       9.316141      32.82257       9.287803      65.44701 7.117316 56.63592 8.199570 8.811089       10.85768 
1 1 1 1  31 7  o 48.65011 6.898307 25.30589       6.563805      32.23455       9.287803      18.37724       9.280719      56.07289 8.281901 41.22733 11.03434 14.84556       13.79661 
1 1 1 1  31 8  o 94.65918 4.527343 91.10690       8.558097      86.07689       12.10036      96.13691       12.11453      92.00316 6.576055 97.31519 6.224375 -5.312035      9.054687 
1 1 1 1  31 9  o 23.88253 7.253100 -1.861811      6.551054      4.475998       9.209873      -8.196787      9.323226      27.61147 11.04070 20.15359 9.409187 7.457880       14.50620 
1 1 1 1  31 10 o 52.99563 7.787453 31.00185       8.260548      16.15270       11.51943      45.85808       11.84531      39.29411 12.79549 66.69715 8.879925 -27.40304      15.57491 
1 1 1 1  31 11 f 82.43766 5.503702 69.76125       9.061099      75.02505       12.97884      64.46911       12.65295      85.61284 7.579959 79.26248 7.981676 6.350357       11.00740 
1 1 1 1  31 12 o 27.80323 8.532915 -3.441658      9.351563      6.507838       13.37557      -13.38974      13.07094      32.69785 13.20912 22.90861 10.80563 9.789240       17.06583 
1 1 1 1  31 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  31 14 o 62.14158 7.321162 41.48693       8.912323      43.13763       13.73688      39.84333       11.34940      62.62476 11.38833 61.65839 9.203449 0.9663734      14.64232 
1 1 1 1  31 15 o 111.6303 4.067222 127.2379       9.103605      140.4860       13.64478      113.9190       12.05077      117.4556 5.808487 105.8051 5.694793 11.65042       8.134444 
1 1 1 1  31 16 o 51.90658 6.495064 28.66396       6.568765      30.64762       9.068183      26.68029       9.507423      54.29733 8.350488 49.51583 9.950518 4.781502       12.99013 
1 1 1 1  31 17 o 24.60344 7.334994 0.8366815      6.338518      4.911696       8.855647      -3.237624      9.068183      27.22118 10.84601 21.98570 9.877885 5.235483       14.66999 
1 1 1 1  31 18 o 31.33613 7.704431 9.061099       6.320098      2.720455       8.806056      15.40174       9.068183      25.39128 10.54354 37.28098 11.23685 -11.88970      15.40886 
1 1 1 1  31 19 o 96.14320 3.962972 94.57832       7.622942      93.65733       10.51342      95.57014       11.03768      95.70085 5.492858 96.58555 5.713939 -0.8846970     7.925944 
1 1 1 1  31 20 o 35.89560 8.199931 14.26113       7.197870      23.18054       11.19354      5.335350       9.061099      44.46441 12.21676 27.32679 10.94104 17.13762       16.39986 
1 1 1 1  31 21 o 38.69282 10.88759 15.18921       12.85840      13.26222       20.03502      17.11619       16.12436      38.26508 15.89723 39.12056 14.88076 -0.8554764     21.77519 
1 1 1 1  31 22 o 49.11744 8.635396 28.75606       8.458915      30.54136       12.07202      26.97076       11.85948      50.76415 12.05404 47.47073 12.36852 3.293423       17.27079 
1 1 1 1  31 23 o 44.71639 8.623768 24.24322       7.977167      26.15604       10.83931      22.33748       11.69654      46.77256 11.62355 42.66023 12.74247 4.112328       17.24754 
1 1 1 1  31 24 o 83.56463 5.822225 76.79617       9.705790      78.92152       13.14886      74.59997       14.28947      85.20033 7.716440 81.92892 8.720652 3.271408       11.64445 
1 1 1 1  31 25 o 26.26429 7.983199 3.192284       7.566265      4.059429       11.35648      2.325139       10.01042      27.33683 11.68828 25.19175 10.87703 2.145075       15.96640 
1 1 1 1  31 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  31 27 o 28.72243 8.036612 9.422408       6.875525      10.64095       9.719957      8.203872       9.727042      29.66951 11.48342 27.77536 11.24631 1.894156       16.07322 
1 1 1 1  31 28 o 33.38093 7.094143 14.58702       5.526632      20.97726       7.835476      8.196787       7.792970      40.37000 9.791224 26.39186 10.26837 13.97814       14.18829 
1 1 1 1  31 29 o 25.97500 7.089586 8.380984       5.243251      9.691620       7.389152      7.064682       7.438744      27.20145 10.13967 24.74856 9.911409 2.452894       14.17917 
1 1 1 1  31 30 o 23.29476 6.683404 6.402279       4.862813      5.958787       6.878358      6.845770       6.874816      22.90558 9.392850 23.68394 9.510306 -0.7783566     13.36681 
1 1 1 1  31 31 o 20.97134 6.359122 3.932616       4.937201      -0.1905735     6.729583      8.055097       7.226208      17.90385 8.214180 24.03883 9.709841 -6.134983      12.71824 
1 1 1 1  32 0  o 36.56800 13.57456 18.36307       9.188620      18.36307       9.188620      18.36307       9.188620      36.56800 13.57456 36.56800 13.57456 -0.000000      0.000000 
1 1 1 1  32 1  o 72.93347 4.857726 54.26032       7.080976      50.16547       9.783719      58.35517       10.24421      70.15742 6.972690 75.70952 6.765472 -5.552094      9.715452 
1 1 1 1  32 2  o 55.15566 6.479487 32.14246       6.920157      38.10054       10.01751      26.18438       9.549930      60.91960 8.221909 49.39173 10.01675 11.52787       12.95897 
1 1 1 1  32 3  o 30.63322 7.962596 7.948828       6.490835      10.25130       8.926493      5.646361       9.422408      32.51369 11.25204 28.75274 11.26958 3.760952       15.92519 
1 1 1 1  32 4  o 86.19163 4.418212 75.73349       7.545012      85.65182       10.46383      65.82225       10.87473      91.96809 5.688839 80.41517 6.761619 11.55292       8.836424 
1 1 1 1  32 5  o 63.87900 5.995915 42.31583       7.700871      34.54411       9.769550      50.09462       11.90907      57.97134 8.426189 69.78665 8.532488 -11.81531      11.99183 
1 1 1 1  32 6  f 41.33501 7.755918 18.05135       7.233293      29.57078       10.26547      6.529800       10.19462      52.51300 10.13594 30.15703 11.74222 22.35598       15.51184 
1 1 1 1  32 7  o 86.81471 4.887359 77.00871       8.473083      70.00921       11.80989      84.09322       12.14286      82.78329 7.133017 90.84615 6.683203 -8.062859      9.774718 
1 1 1 1  32 8  o 33.63744 8.404628 7.509589       8.196787      20.19088       11.59735      -5.179491      11.59027      42.86943 12.66258 24.40545 11.05487 18.46398       16.80926 
1 1 1 1  32 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  32 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  32 11 o 77.34247 5.742510 62.52087       8.791886      51.09354       12.24205      73.96236       12.61044      69.99197 8.745322 84.69297 7.444798 -14.70100      11.48502 
1 1 1 1  32 12 o 97.99661 4.371072 98.04973       8.558097      102.9380       12.17829      93.23225       12.03660      100.4608 6.061214 95.53244 6.299743 4.928337       8.742144 
1 1 1 1  32 13 o 36.55599 8.083506 13.89982       6.908113      19.95000       9.642029      7.856731       9.897071      42.43335 11.19725 30.67863 11.66164 11.75473       16.16701 
1 1 1 1  32 14 o 65.45193 6.235455 44.84500       8.154280      44.34908       11.92324      45.33383       11.13686      64.97175 9.175714 65.93213 8.445702 -0.9603806     12.47091 
1 1 1 1  32 15 o 41.28087 8.245354 18.48351       7.892153      30.08086       11.23604      6.889693       11.08019      51.91568 11.14261 30.64607 12.15672 21.26961       16.49071 
1 1 1 1  32 16 o 54.13041 7.406168 32.31248       7.863815      26.07811       10.68345      38.54686       11.54068      48.09399 11.28833 60.16682 9.590568 -12.07283      14.81234 
1 1 1 1  32 17 o 25.97114 7.891897 1.049217       7.403321      -1.075430      10.06001      3.174572       10.86057      24.26775 10.68966 27.67453 11.61289 -3.406776      15.78379 
1 1 1 1  32 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  32 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  32 20 o 31.32560 8.222912 9.741212       6.901738      10.74721       9.500339      8.735210       10.01751      32.07264 11.55689 30.57855 11.70057 1.494087       16.44582 
1 1 1 1  32 21 o 23.68130 7.471387 -4.726790      7.771716      -13.24805      12.02951      3.793759       9.854564      20.89969 10.02457 26.46292 11.08127 -5.563231      14.94277 
1 1 1 1  32 22 o 21.24508 6.696983 -2.556803      6.005546      2.508628       8.409323      -7.622942      8.572267      23.93468 10.13919 18.55548 8.751863 5.379196       13.39397 
1 1 1 1  32 23 o 59.77031 5.563079 39.19156       6.589310      42.95343       8.926493      35.43676       9.691620      63.14467 7.068286 56.39594 8.592481 6.748726       11.12616 
1 1 1 1  32 24 o 24.67724 7.534423 3.409778       6.794053      2.898276       9.493254      3.921280       9.719957      24.27456 10.53806 25.07992 10.77124 -0.8053627     15.06885 
1 1 1 1  32 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  32 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  32 27 o 19.56993 6.559563 -6.825933      7.012964      -2.352060      9.557014      -11.29981      10.26547      20.86981 9.659287 18.27004 8.877478 2.599770       13.11913 
1 1 1 1  32 28 o 26.93732 7.704720 9.386987       6.642444      2.969830       8.444746      15.79847       10.25838      22.10207 9.757427 31.77258 11.92659 -9.670511      15.40944 
1 1 1 1  32 29 o 23.82725 6.969652 7.024299       5.447286      8.905238       7.842561      5.144068       7.559181      25.34364 10.16558 22.31086 9.537568 3.032784       13.93930 
1 1 1 1  32 30 o 18.13615 5.783498 0.6485876      4.563846      -2.666612      6.439827      3.963788       6.468873      16.10230 7.592092 20.17000 8.726713 -4.067705      11.56700 
1 1 1 1  33 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  33 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  33 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  33 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  33 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  33 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  33 6  o 53.47113 8.488935 31.96535       8.855647      32.13537       12.40499      31.78823       12.64586      53.66819 11.87313 53.27408 12.13577 0.3941116      16.97787 
1 1 1 1  33 7  o 55.81543 8.446012 34.66455       9.153197      32.57461       13.28347      36.74739       12.59627      53.82866 12.55679 57.80220 11.29900 -3.973541      16.89202 
1 1 1 1  33 8  o 32.72353 8.683843 9.379901       7.729208      11.17937       11.13686      7.573349       10.72596      34.33060 12.49868 31.11647 12.05900 3.214138       17.36769 
1 1 1 1  33 9  o 62.40693 6.155484 40.58012       7.679617      39.43951       10.77555      41.71364       10.95267      61.51711 8.758175 63.29675 8.651838 -1.779636      12.31097 
1 1 1 1  33 10 o 70.30786 5.370301 51.46902       7.474166      60.77099       10.74013      42.16705       10.40007      76.88634 6.984420 63.72939 8.159558 13.15695       10.74060 
1 1 1 1  33 11 o 65.73481 5.629861 45.19923       7.297054      52.99928       10.18754      37.39917       10.44258      71.69849 7.104430 59.77114 8.735470 11.92735       11.25972 
1 1 1 1  33 12 o 48.08777 7.426924 25.62470       6.948495      25.45467       9.705790      25.80181       9.939578      47.95505 10.41159 48.22049 10.59413 -0.2654343     14.85385 
1 1 1 1  33 13 o 45.41873 7.212685 23.10261       6.790511      12.22788       9.309056      33.97026       9.889987      34.03304 11.50257 56.80443 8.705296 -22.77139      14.42537 
1 1 1 1  33 14 o 22.41084 7.017415 -2.335057      6.343478      1.216412       8.990252      -5.886526      8.947746      24.45990 10.42699 20.36178 9.394376 4.098118       14.03483 
1 1 1 1  33 15 o 27.56246 8.078689 2.900402       7.552096      7.679617       10.30089      -1.877397      11.03768      30.28509 11.80097 24.83984 11.03621 5.445251       16.15738 
1 1 1 1  33 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  33 17 o 32.16816 8.448637 10.20170       7.353730      13.36140       10.38590      7.045553       10.41424      34.78111 12.12737 29.55521 11.76625 5.225899       16.89727 
1 1 1 1  33 18 o 43.13037 7.661646 21.57236       6.605605      21.88408       9.209873      21.26064       9.472000      43.52513 10.65201 42.73561 11.01536 0.7895241      15.32329 
1 1 1 1  33 19 o 21.48335 7.112550 -7.622942      7.637110      -7.913406      10.86765      -7.325392      10.73304      21.44328 10.05044 21.52342 10.06688 -0.8014107E-01 14.22510 
1 1 1 1  33 20 o 66.67607 6.706215 51.53987       8.274716      32.82966       11.35648      70.24300       12.03660      52.44248 11.16087 80.90967 7.438293 -28.46719      13.41243 
1 1 1 1  33 21 o 36.06037 8.775007 16.14561       7.927575      9.918325       10.81097      22.37291       11.59027      30.70046 12.06169 41.42027 12.74827 -10.71980      17.55001 
1 1 1 1  33 22 o 32.14126 8.647192 11.66112       7.722124      11.04476       11.54776      12.27747       10.25838      31.82939 12.47590 32.45313 11.97697 -0.6237392     17.29438 
1 1 1 1  33 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  33 24 o 26.24910 7.860606 5.734918       7.148279      4.791259       9.401155      6.677866       10.78264      25.23180 10.70617 27.26640 11.51236 -2.034594      15.72121 
1 1 1 1  33 25 f 26.33716 7.900912 6.599937       7.318307      8.926493       9.982086      4.271964       10.69054      27.63905 11.32147 25.03526 11.02370 2.603786       15.80182 
1 1 1 1  33 26 o 31.24663 7.768373 13.85023       6.146527      17.02410       8.657280      10.67637       8.728126      34.34256 11.08672 28.15070 10.88462 6.191854       15.53675 
1 1 1 1  33 27 o 26.17422 6.852635 8.742295       5.088101      13.94233       7.318307      3.550761       7.069641      31.10886 10.19875 21.23958 9.155318 9.869274       13.70527 
1 1 1 1  33 28 o 15.56390 5.336584 -7.325392      5.216331      -10.09544      8.062181      -4.551095      6.623316      15.38581 7.570515 15.74199 7.523551 -0.3561831     10.67317 
1 1 1 1  34 0  o 21.20649 12.92125 4.966955       10.08835      4.966955       10.08835      4.966955       10.08835      21.20649 12.92125 21.20649 12.92125 -0.000000      0.000000 
1 1 1 1  34 1  o 59.88067 6.495706 39.09237       7.240376      25.83015       10.20170      52.35459       10.27963      48.42258 10.81053 71.33875 7.204805 -22.91617      12.99141 
1 1 1 1  34 2  o 83.84471 4.876983 72.40377       8.133026      81.25941       11.50526      63.57646       11.49109      89.11589 6.455222 78.57352 7.312315 10.54237       9.753965 
1 1 1 1  34 3  o 48.87511 7.387099 26.26939       7.019340      29.56369       10.10961      22.96801       9.741212      52.15732 10.05009 45.59289 10.82924 6.564430       14.77420 
1 1 1 1  34 4  o 32.50892 7.779702 8.621859       6.907404      18.86607       9.826226      -1.623771      9.705790      41.22219 11.49280 23.79565 10.48860 17.42655       15.55940 
1 1 1 1  34 5  o 92.31076 4.419109 87.28126       8.147196      92.24043       11.51943      82.25125       11.52651      95.01672 6.061789 89.60480 6.431860 5.411926       8.838219 
1 1 1 1  34 6  o 85.18779 4.654624 74.52913       7.927575      74.59997       11.32106      74.38744       11.10852      85.22876 6.641572 85.14681 6.523159 0.8194733E-01  9.309248 
1 1 1 1  34 7  o 100.6926 4.497414 104.0007       9.054014      103.9299       12.07910      104.0716       13.49601      100.8006 5.991584 100.5845 6.708788 0.2160492      8.994827 
1 1 1 1  34 8  o 72.13013 5.283394 54.03362       7.615856      49.80416       10.54885      58.26308       10.98809      69.25267 7.616202 75.00760 7.324649 -5.754929      10.56679 
1 1 1 1  34 9  o 25.23567 7.646622 0.9181535      6.906697      -0.3558553E-01 9.734127      1.871729       9.797889      24.59727 10.67442 25.87407 10.95171 -1.276810      15.29324 
1 1 1 1  34 10 o 31.79375 8.127867 9.882903       6.649529      10.62678       9.507423      9.139028       9.301972      32.53218 11.57718 31.05533 11.41130 1.476851       16.25573 
1 1 1 1  34 11 o 73.00692 5.813024 56.18731       8.465999      62.31542       12.19245      50.06629       11.74613      77.13197 7.903632 68.88187 8.526287 8.250107       11.62605 
1 1 1 1  34 12 o 40.05202 8.578494 18.30639       7.608772      22.33040       10.61969      14.27530       10.88890      43.96027 11.82061 36.14377 12.43525 7.816494       17.15699 
1 1 1 1  34 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  34 14 o 40.31061 11.01743 6.071432       15.77722      40.43843       22.35165      -28.29556      22.26664      54.03587 17.82364 26.58536 12.95580 27.45051       22.03486 
1 1 1 1  34 15 o 49.48619 7.286872 27.80673       6.982501      30.67596       9.953747      24.93042       9.797889      52.33543 9.870636 46.63695 10.72215 5.698479       14.57374 
1 1 1 1  34 16 o 35.19453 7.978068 14.31781       6.365439      15.22463       8.983169      13.40391       9.018591      36.14075 11.24357 34.24831 11.32168 1.892433       15.95614 
1 1 1 1  34 17 o 29.75310 7.710272 8.395153       6.325057      14.04860       9.131943      2.738875       8.749379      34.82876 11.39262 24.67743 10.39237 10.15133       15.42054 
1 1 1 1  34 18 o 50.52983 6.857931 29.35824       6.778466      25.32006       9.464915      33.39642       9.705790      46.18860 10.48358 54.87106 8.844180 -8.682457      13.71586 
1 1 1 1  34 19 o 65.43281 5.534232 47.01994       7.169532      52.79383       9.953747      41.24606       10.32923      69.95802 7.114086 60.90759 8.479425 9.050430       11.06846 
1 1 1 1  34 20 o 23.31371 7.478801 -5.644944      8.083434      4.407987       11.04476      -15.69929      11.80989      27.10989 11.55692 19.51753 9.495651 7.592361       14.95760 
1 1 1 1  34 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  34 22 o 20.27373 6.695082 -10.30797      7.367898      2.699910       9.847479      -23.31515      10.95975      24.21756 10.62229 16.32991 8.152508 7.887653       13.39016 
1 1 1 1  34 23 o 22.48339 7.525665 -5.455787      9.167366      0.4741668E-01  12.59627      -10.95975      13.32598      24.02565 11.10822 20.94113 10.15628 3.084520       15.05133 
1 1 1 1  34 24 o 20.98600 6.823270 -2.563179      6.753671      -8.926493      9.443663      3.803678       9.656199      18.02869 8.704237 23.94332 10.51020 -5.914625      13.64654 
1 1 1 1  34 25 o 24.42594 7.395533 5.214913       6.711873      -0.5965164     9.429493      11.02351       9.557014      20.87110 9.634919 27.98078 11.22248 -7.109678      14.79107 
1 1 1 1  34 26 o 26.29063 7.406984 9.847479       6.030342      8.791886       9.457831      10.91016       7.488335      25.35185 10.74679 27.22941 10.19608 -1.877558      14.81397 
1 1 1 1  34 27 o 18.82457 5.852044 -0.4186242     4.743084      8.218040       6.891110      -9.054014      6.519173      23.93433 9.557810 13.71480 6.755290 10.21953       11.70409 
1 1 1 1  35 0  o 22.27002 13.10222 6.708330       9.712874      6.708330       9.712874      6.708330       9.712874      22.27002 13.10222 22.27002 13.10222 -0.000000      0.000000 
1 1 1 1  35 1  o 32.12381 8.237277 10.02459       6.845770      11.27147       9.783719      8.770633       9.578268      33.30012 11.75486 30.94749 11.54271 2.352623       16.47455 
1 1 1 1  35 2  o 25.73141 7.606557 2.376856       6.594978      4.273381       9.344479      0.4806845      9.309056      27.06509 10.99801 24.39774 10.51108 2.667349       15.21311 
1 1 1 1  35 3  o 29.19821 7.735187 4.779216       6.943536      -5.406196      9.599521      14.96250       10.03168      21.49834 9.841222 36.89808 11.93662 -15.39973      15.47037 
1 1 1 1  35 4  o 106.4315 4.704516 117.4613       10.00334      133.7557       14.78539      101.1669       13.48184      113.9298 6.488816 98.93327 6.813601 14.99651       9.409033 
1 1 1 1  35 5  o 39.68017 7.989797 17.51293       6.952746      11.39190       10.05293      23.62687       9.606606      33.45776 11.90487 45.90257 10.65934 -12.44481      15.97959 
1 1 1 1  35 6  o 31.99169 8.384287 9.578268       7.212039      7.017923       10.30797      12.13578       10.08835      29.89753 11.76775 34.08585 11.94592 -4.188316      16.76857 
1 1 1 1  35 7  o 99.18887 5.178449 104.5675       10.05293      133.8974       14.77122      75.23758       13.65187      113.8134 6.489226 84.56433 8.071882 29.24909       10.35690 
1 1 1 1  35 8  o 97.36272 5.198472 99.25409       10.12378      95.71184       14.12653      102.7963       14.50201      95.60326 7.388100 99.12218 7.315218 -3.518921      10.39694 
1 1 1 1  35 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  35 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  35 11 o 66.85585 5.491952 47.35291       7.332476      49.84667       10.29380      44.86625       10.44258      68.74638 7.486798 64.96532 8.037041 3.781052       10.98390 
1 1 1 1  35 12 o 50.27517 6.871679 28.30973       6.662989      28.62145       9.599521      27.99093       9.245295      50.48778 9.858433 50.06256 9.575553 0.4252243      13.74336 
1 1 1 1  35 13 o 61.87027 7.625514 45.02919       8.508506      63.95194       10.14503      26.09937       13.65895      78.15048 6.490702 45.59006 13.80089 32.56042       15.25103 
1 1 1 1  35 14 f 71.14401 5.088594 53.78566       7.233293      59.29741       10.55593      48.27390       9.897071      74.88055 7.048513 67.40746 7.341228 7.473091       10.17719 
1 1 1 1  35 15 o 25.28797 7.485317 3.467163       6.362606      4.257087       8.848563      2.677239       9.146112      25.71681 10.61698 24.85912 10.55460 0.8576908      14.97063 
1 1 1 1  35 16 o 44.73883 7.814205 24.54077       6.958413      25.33423       9.734127      23.74730       9.946663      45.65317 10.81366 43.82449 11.28326 1.828682       15.62841 
1 1 1 1  35 17 o 26.55984 7.883735 1.417612       7.778800      -8.338477      11.14395      11.17937       10.86057      21.22719 10.00220 31.89250 12.18889 -10.66531      15.76747 
1 1 1 1  35 18 o 25.52743 8.084015 0.8069265      8.692703      -5.175241      12.13578      6.789093       12.44041      22.66293 10.62183 28.39193 12.18941 -5.729000      16.16803 
1 1 1 1  35 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  35 20 o 22.29201 7.123903 -0.4098393     6.766423      -0.8643113     9.316141      0.4464663E-01  9.819141      21.82508 9.897288 22.75893 10.24908 -0.9338493     14.24781 
1 1 1 1  35 21 o 23.19166 7.396654 1.637941       7.297054      -0.8692703E-01 9.656199      3.362312       10.93850      21.88173 9.966303 24.50159 10.93228 -2.619862      14.79331 
1 1 1 1  35 22 o 19.66847 6.310731 -1.403443      5.503962      1.614562       7.459997      -4.421447      8.097604      20.98773 9.225235 18.34920 8.613730 2.638533       12.62146 
1 1 1 1  35 23 o 36.11105 6.821418 17.92383       5.664781      27.72880       8.118857      8.111773       7.899237      46.62928 9.027951 25.59283 10.22854 21.03645       13.64284 
1 1 1 1  35 24 o 24.17064 6.924159 7.360813       5.228374      5.564180       7.212039      9.153197       7.573349      22.61590 9.475506 25.72537 10.09904 -3.109472      13.84832 
1 1 1 1  35 25 o 21.29096 6.503953 4.504336       5.067555      4.610604       7.197870      4.398069       7.134109      21.38225 9.227640 21.19967 9.168221 0.1825771      13.00791 
1 1 1 1  36 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  36 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  36 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  36 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  36 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  36 5  o 77.56863 6.017178 64.75957       9.287803      56.60530       12.94341      72.89968       13.33306      72.39953 8.938881 82.73774 8.057425 -10.33821      12.03436 
1 1 1 1  36 6  o 24.06869 7.741995 -4.267005      8.196787      -2.656694      11.77447      -5.877316      11.39899      24.99614 11.24173 23.14123 10.64788 1.854914       15.48399 
1 1 1 1  36 7  o 89.65113 4.666965 83.73900       8.366816      85.15590       11.76030      82.32210       11.90199      90.46380 6.500004 88.83846 6.698669 1.625336       9.333929 
1 1 1 1  36 8  o 30.72644 7.940437 7.934660       7.011548      -0.9266549     9.649114      16.79739       10.18045      23.52348 10.40166 37.92941 12.00032 -14.40593      15.88087 
1 1 1 1  36 9  o 40.01091 8.401254 19.12820       7.289969      15.52218       10.08127      22.74130       10.52759      36.43632 11.97015 43.58550 11.79152 -7.149178      16.80251 
1 1 1 1  36 10 o 25.26272 7.522614 2.289008       6.636776      6.283967       9.316141      -1.705952      9.450747      27.84279 11.11476 22.68266 10.14006 5.160133       15.04523 
1 1 1 1  36 11 o 26.71107 7.348349 3.409070       6.402279      -6.014048      8.926493      12.83006       9.181536      19.85876 9.246416 33.56338 11.42352 -13.70463      14.69670 
1 1 1 1  36 12 o 20.01415 6.598204 -6.351979      6.551762      -8.090520      9.571183      -4.612730      8.954830      19.63586 9.257408 20.39244 9.404551 -0.7565842     13.19641 
1 1 1 1  36 13 o 29.60187 8.386433 7.913406       7.757547      2.368354       10.53468      13.46058       11.39190      25.51952 11.09012 33.68422 12.58326 -8.164707      16.77287 
1 1 1 1  36 14 o 23.97893 7.671637 -1.838432      7.913406      -0.9500339     11.20062      -2.726831      11.17937      24.40332 10.97034 23.55454 10.72696 0.8487835      15.34327 
1 1 1 1  36 15 o 59.36410 7.982991 43.03844       9.245295      51.41235       13.32598      34.66455       12.80881      66.65723 9.995898 52.07096 12.44968 14.58627       15.96598 
1 1 1 1  36 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  36 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  36 18 o 32.55206 9.851561 14.39574       12.13578      11.58319       11.81698      17.20829       21.19688      30.59476 12.39252 34.50935 15.31791 -3.914598      19.70312 
1 1 1 1  36 19 o 27.06583 7.580163 8.579351       6.193285      5.251753       8.494337      11.90907       9.011506      24.29986 10.23688 29.83180 11.18220 -5.531942      15.16033 
1 1 1 1  36 20 o 25.05982 7.151151 6.549637       5.659822      2.668029       7.644195      10.42841       8.352647      21.78075 9.455858 28.33890 10.73045 -6.558149      14.30230 
1 1 1 1  36 21 o 20.40588 6.518705 0.4330058      5.700912      -2.332932      7.828392      3.198660       8.288886      18.65849 8.676531 22.15326 9.730976 -3.494764      13.03741 
1 1 1 1  36 22 o 19.51338 6.166123 0.6702662      5.075349      4.832349       7.332476      -3.491959      7.020049      22.14455 9.427616 16.88221 7.950116 5.262339       12.33225 
1 1 1 1  36 23 o 17.98281 5.860385 -1.008127      4.954912      -4.021881      7.027133      2.004919       6.987460      16.39914 7.816533 19.56647 8.733743 -3.167332      11.72077 
1 1 1 1  36 24 o 18.73145 5.958807 2.111187       4.712621      1.350309       6.731709      2.872772       6.596395      18.30101 8.331650 19.16189 8.521335 -0.8608837     11.91761 
1 1 1 1  37 0  o 19.24844 12.76700 -0.1871730E-01 12.41208      -0.1871730E-01 12.41208      -0.1871730E-01 12.41208      19.24844 12.76700 19.24844 12.76700 -0.000000      0.000000 
1 1 1 1  37 1  o 43.64457 9.975599 24.03068       10.04585      20.12003       14.29656      27.94134       14.11944      40.40580 14.21500 46.88335 13.99943 -6.477551      19.95120 
1 1 1 1  37 2  o 47.04745 8.617738 26.81490       8.253463      23.16637       12.07202      30.47051       11.26438      43.33287 12.94579 50.76205 11.37841 -7.429180      17.23548 
1 1 1 1  37 3  o 30.07553 8.762645 6.371107       8.607689      2.783507       12.13578      9.960832       12.20662      27.79513 11.98832 32.35593 12.78342 -4.560801      17.52529 
1 1 1 1  37 4  o 41.97341 8.348731 21.19688       7.374983      17.58377       10.38590      24.80290       10.47800      38.33736 12.11993 45.60945 11.48532 -7.272087      16.69746 
1 1 1 1  37 5  o 50.47852 7.557653 29.67705       7.396237      31.43401       10.61969      27.92008       10.28672      52.10150 10.55974 48.85553 10.81501 3.245964       15.11531 
1 1 1 1  37 6  o 35.32079 8.101317 14.12653       7.032801      22.01160       10.24421      6.246420       9.634944      42.70022 11.66746 27.94136 11.24258 14.75886       16.20263 
1 1 1 1  37 7  o 22.13205 7.061943 -2.725414      6.701245      -6.310180      9.443663      0.8593521      9.514507      20.24485 9.458766 24.01925 10.48884 -3.774401      14.12389 
1 1 1 1  37 8  o 27.03669 7.906822 5.335350       6.995253      7.042011       10.24421      3.627982       9.528677      28.48924 11.53893 25.58414 10.81316 2.905106       15.81364 
1 1 1 1  37 9  o 20.32851 6.877387 -10.81806      7.920490      -9.294888      11.45567      -12.34832      10.93141      21.12147 10.02732 19.53555 9.415237 1.585915       13.75477 
1 1 1 1  37 10 o 38.84188 8.652606 18.25680       8.458915      30.03835       11.95158      6.478791       11.97992      48.62986 12.27870 29.05390 12.19442 19.57596       17.30521 
1 1 1 1  37 11 o 28.46930 8.562025 4.031091       8.777717      -2.085682      12.41208      10.14503       12.41916      25.08137 11.39032 31.85722 12.78647 -6.775856      17.12405 
1 1 1 1  37 12 o 28.73204 8.789440 5.853229       9.599521      -2.465412      13.06385      14.16904       14.06277      24.38496 11.28891 33.07912 13.47507 -8.694164      17.57888 
1 1 1 1  37 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  37 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  37 15 o 31.63353 7.866932 11.32814       7.046970      21.44484       10.01751      1.215703       9.911241      39.80521 11.77204 23.46185 10.43904 16.34336       15.73386 
1 1 1 1  37 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  37 17 o 26.67972 7.405307 8.076350       5.862438      5.037800       8.104689      11.11561       8.473083      24.04540 10.05788 29.31404 10.87168 -5.268641      14.81061 
1 1 1 1  37 18 f 28.81964 6.920714 9.110690       5.854646      20.36799       8.366816      -2.145900      8.189702      38.35130 10.57317 19.28799 8.932707 19.06331       13.84143 
1 1 1 1  37 19 o 20.71132 6.533513 1.019462       5.628649      4.556762       7.800055      -2.517129      8.118857      22.64000 9.683625 18.78263 8.773516 3.857367       13.06703 
1 1 1 1  37 20 o 23.93932 6.858884 6.252087       5.474207      11.67529       7.637110      0.8281801      7.842561      28.04841 10.33655 19.83023 9.018477 8.218182       13.71777 
1 1 1 1  37 21 o 25.13979 6.826236 8.338477       5.231916      2.732499       7.424574      13.94233       7.374983      20.29165 9.031602 29.98793 10.23817 -9.696274      13.65247 
1 1 1 1  37 22 o 28.84718 6.943855 13.50309       5.071806      18.07261       7.176617      8.940661       7.169532      33.71940 9.961340 23.97495 9.676786 9.744450       13.88771 
1 1 1 1  38 0  o 41.18266 14.20130 24.22905       10.51342      24.22905       10.51342      24.22905       10.51342      41.18266 14.20130 41.18266 14.20130 0.000000       0.000000 
1 1 1 1  38 1  o 27.11151 7.755630 4.077848       7.119940      12.41916       10.03876      -4.262754      10.09544      32.55142 11.86497 21.67160 9.991076 10.87982       15.51126 
1 1 1 1  38 2  o 26.55402 7.969940 4.190492       7.374983      3.810054       10.38590      4.570931       10.47092      26.27999 11.20514 26.82806 11.33687 -0.5480747     15.93988 
1 1 1 1  38 3  o 21.96401 7.536710 -17.01701      10.28672      -13.06385      14.99084      -20.97017      14.09819      23.38106 11.20893 20.54697 10.07809 2.834091       15.07342 
1 1 1 1  38 4  o 27.69194 8.123716 2.379690       8.168448      13.10636       11.46984      -8.345562      11.63278      33.63185 12.61381 21.75204 10.24065 11.87981       16.24743 
1 1 1 1  38 5  o 33.79418 9.796935 11.69654       10.59135      9.996255       14.05568      13.38974       15.84807      32.48583 13.39192 35.10253 14.30301 -2.616699      19.59387 
1 1 1 1  38 6  o 45.26292 10.48593 28.60020       11.08019      32.65963       15.54343      24.54077       15.79139      48.45998 14.73268 42.06585 14.92540 6.394131       20.97187 
1 1 1 1  38 7  o 37.05642 10.29121 19.92875       11.32814      25.08628       15.98976      14.76414       16.05352      40.20016 14.92958 33.91268 14.16840 6.287487       20.58242 
1 1 1 1  38 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  38 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  38 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  38 11 o 29.65088 8.280573 10.53468       7.289969      11.88782       10.30089      9.174451       10.32214      30.67557 11.83219 28.62619 11.58753 2.049374       16.56115 
1 1 1 1  38 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  38 13 o 47.10914 7.586518 29.71247       6.995961      30.43509       9.783719      28.98985       10.00334      48.00550 10.47987 46.21277 10.97239 1.792728       15.17304 
1 1 1 1  38 14 o 19.99391 6.444810 -1.908569      5.828433      1.363770       8.026759      -5.180200      8.451830      21.46885 9.490856 18.51896 8.721581 2.949890       12.88962 
1 1 1 1  38 15 o 36.18833 7.597235 18.33473       6.099770      22.08244       8.288886      14.58702       8.954830      40.54377 10.21871 31.83289 11.24499 8.710880       15.19447 
1 1 1 1  38 16 o 18.90448 6.219241 -2.580181      5.759005      -4.880525      7.962997      -0.2792009     8.317224      17.64061 8.367847 20.16834 9.202986 -2.527737      12.43848 
1 1 1 1  38 17 o 17.64238 5.881902 -4.296760      5.502545      -8.416408      7.750463      -0.1786715     7.814223      15.83698 7.701050 19.44778 8.892745 -3.610801      11.76380 
1 1 1 1  38 18 o 23.67677 6.779388 5.831975       5.471373      12.01534       7.537927      -0.3494793     7.934660      28.20421 10.28131 19.14934 8.839400 9.054873       13.55878 
1 1 1 1  38 19 o 27.28405 7.210649 11.75322       5.292135      11.74613       7.346645      11.76030       7.622942      27.35281 10.12745 27.21530 10.26686 0.1375179      14.42130 
1 1 1 1  39 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  39 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  39 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  39 3  o 24.81223 8.425078 1.303551       12.56085      0.5416822      20.51676      2.065845       14.48784      25.49717 12.42744 24.12728 11.37922 1.369888       16.85016 
1 1 1 1  39 4  o 26.22018 7.983506 5.196494       7.920490      12.90799       11.47692      -2.517838      10.92433      30.55561 12.28030 21.88475 10.20489 8.670862       15.96701 
1 1 1 1  39 5  o 33.74464 8.563830 15.24588       7.566265      10.32923       10.64095      20.16254       10.75430      29.59542 11.85355 37.89386 12.36326 -8.298435      17.12766 
1 1 1 1  39 6  o 29.09460 7.756485 6.750128       7.346645      -6.737377      10.14503      20.24047       10.62678      20.04670 9.478813 38.14250 12.28024 -18.09580      15.51297 
1 1 1 1  39 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  39 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 1  39 9  o 32.42945 8.521981 15.09002       7.452912      11.80989       10.23713      18.37724       10.83223      29.77559 11.72487 35.08332 12.37029 -5.307732      17.04396 
1 1 1 1  39 10 o 26.07332 7.798947 6.159280       7.148279      1.849059       9.783719      10.47092       10.42133      23.18807 10.34286 28.95857 11.67560 -5.770502      15.59789 
1 1 1 1  39 11 o 24.88927 7.554402 5.191535       6.857105      8.954830       9.833311      1.426822       9.564099      27.29313 11.21782 22.48541 10.12109 4.807722       15.10880 
1 1 1 1  39 12 o 27.22427 7.670372 9.649114       6.330725      11.25021       8.798972      8.040927       9.103605      28.47545 10.94558 25.97309 10.74861 2.502359       15.34074 
1 1 1 1  39 13 o 20.34118 6.545422 0.1732873      5.868106      -2.555386      7.877984      2.902527       8.699788      18.53407 8.651578 22.14830 9.824479 -3.614233      13.09084 
1 1 1 1  39 14 o 30.14797 7.433475 13.24096       5.955245      19.53202       8.409323      6.952037       8.437660      36.06388 10.81108 24.23206 10.20523 11.83183       14.86695 
1 1 1 1  39 15 o 24.26266 7.005699 7.034926       5.668323      1.471454       7.821308      12.59627       8.203872      20.04623 9.080729 28.47909 10.67050 -8.432859      14.01140 
1 1 1 1  39 16 o 29.50630 7.297418 13.63061       5.556387      17.55543       7.679617      9.698705       8.033843      33.57211 10.38606 25.44049 10.25373 8.131626       14.59484 
1 1 1 1  39 17 o 21.80713 6.714399 5.797261       5.579766      10.37882       8.522675      1.214286       7.204955      24.96917 10.37064 18.64509 8.531257 6.324083       13.42880 
1 1 1 1  40 0  o 26.72058 13.76804 13.25513       9.316141      13.25513       9.316141      13.25513       9.316141      26.72058 13.76804 26.72058 13.76804 0.000000       0.000000 
1 1 1 1  40 1  o 23.10897 7.401622 0.6199661      7.382068      -3.259587      9.882903      4.499377       10.97392      20.80512 9.703331 25.41282 11.17951 -4.607700      14.80324 
1 1 1 1  40 2  o 37.39658 8.706987 20.67971       7.637110      16.91783       10.45675      24.44867       11.12269      34.12811 12.14179 40.66504 12.48292 -6.536926      17.41397 
1 1 1 1  40 3  o 28.65452 8.270046 10.17337       7.502505      11.96575       10.95267      8.380984       10.25130      29.97447 12.01736 27.33457 11.36475 2.639904       16.54009 
1 1 1 1  40 4  o 25.42852 8.041015 4.119648       8.395153      2.653861       11.66820      5.585434       12.06493      24.60687 11.12187 26.25017 11.61618 -1.643303      16.08203 
1 1 1 1  40 5  o 16.66319 5.774337 -12.21371      6.511380      -13.15595      9.819141      -11.27147      8.551013      17.09818 8.394275 16.22819 7.931458 0.8699951      11.54867 
1 1 1 1  40 6  o 27.17031 7.612764 9.472000       6.190452      10.74721       8.650196      8.196787       8.862731      28.19190 10.84930 26.14873 10.68220 2.043169       15.22553 
1 1 1 1  40 7  o 28.45370 6.763258 6.672198       6.193994      -9.854564      8.515590      23.20180       8.997337      16.48511 8.029787 40.42229 10.88527 -23.93719      13.52652 
1 1 1 1  40 8  o 20.37455 6.642784 -0.9634944     6.324349      -3.265963      8.813140      1.338974       9.068183      19.16453 8.994628 21.58456 9.777678 -2.420033      13.28557 
1 1 1 1  40 9  o 35.65087 7.378268 18.45517       6.223749      26.92825       8.699788      9.982086       8.905238      44.37940 10.03575 26.92234 10.81846 17.45705       14.75654 
1 1 1 1  40 10 o 19.72926 6.435344 -0.4386025     5.928325      -1.825680      8.310139      0.9486168      8.451830      18.97991 8.869778 20.47861 9.326394 -1.498709      12.87069 
1 1 1 1  40 11 o 26.80523 7.477016 10.72596       5.902112      10.31506       8.012589      11.13686       8.671450      26.50968 10.39194 27.10077 10.75317 -0.5910912     14.95403 
1 1 1 1  40 12 o 19.43735 6.343957 0.1795925      5.765380      -1.409111      7.679617      1.768296       8.600604      18.28267 8.537226 20.59203 9.386104 -2.309359      12.68791 
1 1 1 1  40 13 o 16.05432 5.540560 -8.905238      5.900695      -14.38157      8.586436      -3.423947      8.090520      14.61798 7.286250 17.49065 8.348759 -2.872672      11.08112 
1 1 1 1  40 14 o 22.52114 6.951266 6.868440       6.019006      2.672280       8.133026      11.06602       8.876901      19.87243 9.080846 25.16986 10.52704 -5.297422      13.90253 
1 1 1 1  41 0  o 17.94550 11.33108 4.960579       8.451830      4.960579       8.451830      4.960579       8.451830      17.94550 11.33108 17.94550 11.33108 0.000000       0.000000 
1 1 1 1  41 1  o 19.76387 6.476474 -0.6881192     6.104020      -0.3762587     8.402238      -0.9996255     8.855647      19.73059 9.103292 19.79714 9.214604 -0.6654739E-01 12.95295 
1 1 1 1  41 2  o 16.52519 5.715183 -11.90907      6.539719      -18.58978      10.06001      -5.235459      8.359732      15.50031 7.748583 17.55008 8.403137 -2.049770      11.43037 
1 1 1 1  41 3  o 17.22502 5.845140 -7.941744      6.019715      0.1446659      8.508506      -16.02518      8.515590      19.98757 9.197873 14.46247 7.215383 5.525102       11.69028 
1 1 1 1  41 4  o 19.60129 6.451432 -1.099517      6.212414      -3.414737      8.650196      1.215703       8.919409      18.44645 8.736537 20.75614 9.495093 -2.309694      12.90286 
1 1 1 1  41 5  o 18.44539 6.154833 -4.382482      6.089851      3.105852       8.855647      -11.87365      8.359732      21.61359 9.733280 15.27720 7.535990 6.336385       12.30967 
1 1 1 1  41 6  o 24.16577 7.527225 6.975416       7.112856      9.719957       10.25130      4.228749       9.854564      25.75312 11.06109 22.57842 10.21219 3.174702       15.05445 
1 1 1 1  41 7  o 24.17035 7.447202 7.467082       6.818140      4.421447       9.457831      10.51342       9.826226      22.32342 10.05554 26.01728 10.98770 -3.693861      14.89440 
1 1 1 1  41 8  o 17.93869 6.089721 -5.313388      6.380316      -12.12161      8.706873      1.497667       9.330310      15.31735 7.588235 20.56004 9.526672 -5.242691      12.17944 
1 1 1 1  41 9  o 20.82860 6.764300 2.783507       6.526258      0.1700284      9.365732      5.396986       9.089437      19.64684 9.231835 22.01036 9.889197 -2.363516      13.52860 
1 1 1 2  0  0  o 903.1548 18.44707 8175.533       332.9015      8175.533       332.9015      8175.533       332.9015      903.1548 18.44707 903.1548 18.44707 -0.000000      0.000000 
1 1 1 2  0  1  o 431.2163 6.278095 1861.103       54.11863      1861.103       54.11863      1861.103       54.11863      431.2163 6.278095 431.2163 6.278095 -0.000000      0.000000 
1 1 1 2  0  2  o 75.61288 1.592508 57.24999       2.405902      57.24999       2.405902      57.24999       2.405902      75.61288 1.592508 75.61288 1.592508 -0.000000      0.000000 
1 1 1 2  0  3  o 975.1993 11.47814 9521.593       223.7999      9521.593       223.7999      9521.593       223.7999      975.1993 11.47814 975.1993 11.47814 -0.000000      0.000000 
1 1 1 2  0  4  o 523.4437 6.204789 2741.708       64.93669      2741.708       64.93669      2741.708       64.93669      523.4437 6.204789 523.4437 6.204789 0.000000       0.000000 
1 1 1 2  0  5  o 51.89495 1.248683 26.97784       1.294341      26.97784       1.294341      26.97784       1.294341      51.89495 1.248683 51.89495 1.248683 0.000000       0.000000 
1 1 1 2  0  6  o 304.2351 3.179363 925.9465       19.34073      925.9465       19.34073      925.9465       19.34073      304.2351 3.179363 304.2351 3.179363 0.000000       0.000000 
1 1 1 2  0  7  o 325.4881 3.397388 1059.844       22.11078      1059.844       22.11078      1059.844       22.11078      325.4881 3.397388 325.4881 3.397388 0.000000       0.000000 
1 1 1 2  0  8  o 482.2990 4.966820 2327.264       47.89843      2327.264       47.89843      2327.264       47.89843      482.2990 4.966820 482.2990 4.966820 0.000000       0.000000 
1 1 1 2  0  9  o 219.5249 2.744086 482.1723       12.04368      482.1723       12.04368      482.1723       12.04368      219.5249 2.744086 219.5249 2.744086 -0.000000      0.000000 
1 1 1 2  0  10 o 361.3470 3.769166 1306.385       27.23289      1306.385       27.23289      1306.385       27.23289      361.3470 3.769166 361.3470 3.769166 -0.000000      0.000000 
1 1 1 2  0  11 o 143.6699 1.770131 206.5137       5.084558      206.5137       5.084558      206.5137       5.084558      143.6699 1.770131 143.6699 1.770131 -0.000000      0.000000 
1 1 1 2  0  12 o 910.0640 9.304824 8295.971       169.3200      8295.971       169.3200      8295.971       169.3200      910.0640 9.304824 910.0640 9.304824 -0.000000      0.000000 
1 1 1 2  0  13 o 121.1772 1.697667 146.9329       4.112563      146.9329       4.112563      146.9329       4.112563      121.1772 1.697667 121.1772 1.697667 -0.000000      0.000000 
1 1 1 2  0  14 o 56.42360 1.879807 31.94409       2.116146      31.94409       2.116146      31.94409       2.116146      56.42360 1.879807 56.42360 1.879807 -0.000000      0.000000 
1 1 1 2  0  15 o 289.3053 3.112013 837.3900       18.00176      837.3900       18.00176      837.3900       18.00176      289.3053 3.112013 289.3053 3.112013 -0.000000      0.000000 
1 1 1 2  0  16 o 310.8972 3.327806 967.0367       20.68679      967.0367       20.68679      967.0367       20.68679      310.8972 3.327806 310.8972 3.327806 0.000000       0.000000 
1 1 1 2  0  17 o 518.9821 6.211060 2695.659       64.44786      2695.659       64.44786      2695.659       64.44786      518.9821 6.211060 518.9821 6.211060 -0.000000      0.000000 
1 1 1 2  0  18 o 920.2804 9.424835 8480.168       173.4290      8480.168       173.4290      8480.168       173.4290      920.2804 9.424835 920.2804 9.424835 -0.000000      0.000000 
1 1 1 2  0  19 o 106.4197 2.342179 113.4231       4.979708      113.4231       4.979708      113.4231       4.979708      106.4197 2.342179 106.4197 2.342179 -0.000000      0.000000 
1 1 1 2  0  20 o 319.2126 3.453141 1019.462       22.03993      1019.462       22.03993      1019.462       22.03993      319.2126 3.453141 319.2126 3.453141 0.000000       0.000000 
1 1 1 2  0  21 o 477.2355 4.993570 2279.089       47.65047      2279.089       47.65047      2279.089       47.65047      477.2355 4.993570 477.2355 4.993570 0.000000       0.000000 
1 1 1 2  0  22 o 357.1031 3.871583 1275.922       27.64379      1275.922       27.64379      1275.922       27.64379      357.1031 3.871583 357.1031 3.871583 0.000000       0.000000 
1 1 1 2  0  23 o 310.9675 4.005458 967.7452       24.90208      967.7452       24.90208      967.7452       24.90208      310.9675 4.005458 310.9675 4.005458 -0.000000      0.000000 
1 1 1 2  0  24 o 79.82346 2.694147 63.94485       4.290384      63.94485       4.290384      63.94485       4.290384      79.82346 2.694147 79.82346 2.694147 0.000000       0.000000 
1 1 1 2  0  25 o 35.09717 4.599693 12.54668       3.218496      12.54668       3.218496      12.54668       3.218496      35.09717 4.599693 35.09717 4.599693 -0.000000      0.000000 
1 1 1 2  0  26 f 476.1811 5.005383 2269.879       47.65755      2269.879       47.65755      2269.879       47.65755      476.1811 5.005383 476.1811 5.005383 0.000000       0.000000 
1 1 1 2  0  27 o 293.7435 3.268903 863.6028       19.19904      863.6028       19.19904      863.6028       19.19904      293.7435 3.268903 293.7435 3.268903 0.000000       0.000000 
1 1 1 2  0  28 o 234.4336 2.756894 550.0419       12.92216      550.0419       12.92216      550.0419       12.92216      234.4336 2.756894 234.4336 2.756894 0.000000       0.000000 
1 1 1 2  0  29 o 85.53400 2.606928 73.39561       4.450494      73.39561       4.450494      73.39561       4.450494      85.53400 2.606928 85.53400 2.606928 -0.000000      0.000000 
1 1 1 2  0  30 o 178.3289 2.334873 318.3074       8.324308      318.3074       8.324308      318.3074       8.324308      178.3289 2.334873 178.3289 2.334873 0.000000       0.000000 
1 1 1 2  0  31 o 15.77851 7.566984 3.690325       2.731082      3.690325       2.731082      3.690325       2.731082      15.77851 7.566984 15.77851 7.566984 -0.000000      0.000000 
1 1 1 2  0  32 f 380.6549 4.084394 1452.326       31.08686      1452.326       31.08686      1452.326       31.08686      380.6549 4.084394 380.6549 4.084394 0.000000       0.000000 
1 1 1 2  0  33 o 167.4489 2.281378 280.7594       7.637110      280.7594       7.637110      280.7594       7.637110      167.4489 2.281378 167.4489 2.281378 -0.000000      0.000000 
1 1 1 2  0  34 o 51.65318 2.997325 26.98493       3.074681      26.98493       3.074681      26.98493       3.074681      51.65318 2.997325 51.65318 2.997325 0.000000       0.000000 
1 1 1 2  0  35 f 229.5913 2.731719 528.0091       12.53960      528.0091       12.53960      528.0091       12.53960      229.5913 2.731719 229.5913 2.731719 0.000000       0.000000 
1 1 1 2  0  36 o 139.8236 2.573323 195.9578       7.190785      195.9578       7.190785      195.9578       7.190785      139.8236 2.573323 139.8236 2.573323 -0.000000      0.000000 
1 1 1 2  0  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  0  38 o 60.80492 2.922560 37.31416       3.536592      37.31416       3.536592      37.31416       3.536592      60.80492 2.922560 60.80492 2.922560 -0.000000      0.000000 
1 1 1 2  0  39 o 19.55404 8.428444 5.553554       3.363729      5.553554       3.363729      5.553554       3.363729      19.55404 8.428444 19.55404 8.428444 -0.000000      0.000000 
1 1 1 2  0  40 o 39.49350 4.711730 16.40066       3.632941      16.40066       3.632941      16.40066       3.632941      39.49350 4.711730 39.49350 4.711730 -0.000000      0.000000 
1 1 1 2  0  41 o 57.42097 2.594305 33.28306       2.966288      33.28306       2.966288      33.28306       2.966288      57.42097 2.594305 57.42097 2.594305 -0.000000      0.000000 
1 1 1 2  0  42 o 37.52879 3.275635 14.50201       2.422905      14.50201       2.422905      14.50201       2.422905      37.52879 3.275635 37.52879 3.275635 0.000000       0.000000 
1 1 1 2  0  43 o 74.64747 2.591133 56.22982       3.858228      56.22982       3.858228      56.22982       3.858228      74.64747 2.591133 74.64747 2.591133 0.000000       0.000000 
1 1 1 2  0  44 o 16.28630 6.750364 3.857520       2.176364      3.857520       2.176364      3.857520       2.176364      16.28630 6.750364 16.28630 6.750364 -0.000000      0.000000 
1 1 1 2  0  45 o 38.23943 4.117341 15.45842       3.084599      15.45842       3.084599      15.45842       3.084599      38.23943 4.117341 38.23943 4.117341 0.000000       0.000000 
1 1 1 2  0  46 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  0  o 654.8722 6.698019 4291.092       87.70633      4291.092       87.70633      4291.092       87.70633      654.8722 6.698019 654.8722 6.698019 0.000000       0.000000 
1 1 1 2  1  1  o 250.1918 2.017855 625.9880       10.10252      623.6501       13.17720      628.3967       15.30964      249.7193 2.638403 250.6642 3.053815 -0.9449005     4.035710 
1 1 1 2  1  2  o 462.8540 3.636554 2143.067       33.68688      2123.938       43.67605      2162.195       51.29899      460.7995 4.739160 464.9085 5.517106 -4.109009      7.273108 
1 1 1 2  1  3  o 329.7270 2.614649 1087.474       17.22246      1108.019       23.01051      1066.928       25.63179      332.8454 3.456637 326.6087 3.923929 6.236694       5.229299 
1 1 1 2  1  4  o 612.2417 5.460373 3751.961       67.31709      3613.813       73.96236      3890.817       112.5022      601.0166 6.153105 623.4668 9.022305 -22.45020      10.92075 
1 1 1 2  1  5  o 583.1581 4.553698 3403.402       53.01345      3523.131       72.04955      3283.674       77.78800      593.4342 6.070559 572.8821 6.789182 20.55212       9.107396 
1 1 1 2  1  6  o 280.8459 2.259709 788.5069       12.70254      780.0054       16.39357      797.7167       19.41158      279.2721 2.935055 282.4198 3.436654 -3.147736      4.519417 
1 1 1 2  1  7  o 541.6794 4.245610 2935.116       45.97144      2914.571       69.12364      2956.369       60.62931      539.7350 6.403479 543.6238 5.576403 -3.888733      8.491220 
1 1 1 2  1  8  o 551.1364 4.331417 3039.258       47.84883      3115.063       73.89152      2964.162       60.80642      557.9528 6.621665 544.3199 5.585540 13.63281       8.662834 
1 1 1 2  1  9  o 193.3600 1.652352 373.9209       6.390944      374.1334       9.734127      373.7083       8.281801      193.4132 2.516407 193.3067 2.142141 0.1065826      3.304704 
1 1 1 2  1  10 o 333.0656 2.672717 1110.144       17.81756      1123.605       27.26831      1095.975       22.95384      335.1287 4.068334 331.0024 3.467322 4.126251       5.345434 
1 1 1 2  1  11 o 322.2173 2.398124 1038.590       15.45842      1039.299       21.87699      1037.882       21.83448      322.3271 3.393601 322.1074 3.389317 0.2196960      4.796248 
1 1 1 2  1  12 o 276.1128 2.091359 763.0026       11.54776      749.5420       16.08185      775.7547       16.58486      273.7405 2.937427 278.4850 2.977693 -4.744446      4.182718 
1 1 1 2  1  13 o 579.6218 4.220672 3363.729       48.92568      3355.228       69.07405      3372.230       69.31492      578.8897 5.966081 580.3539 5.971780 -1.464233      8.441343 
1 1 1 2  1  14 o 279.8015 2.129583 783.5477       11.91616      796.2998       17.14453      770.0871       16.56360      282.1420 3.038281 277.4609 2.984853 4.681061       4.259167 
1 1 1 2  1  15 o 233.1093 1.832534 543.5242       8.543928      538.0692       11.97283      548.9792       12.19245      231.9397 2.581023 234.2790 2.602123 -2.339264      3.665069 
1 1 1 2  1  16 o 362.2048 2.703528 1312.761       19.58869      1319.137       27.84216      1305.677       27.55169      363.1332 3.833601 361.2764 3.813104 1.856750       5.407056 
1 1 1 2  1  17 o 97.36583 1.752983 94.93254       3.417571      101.6628       5.039217      88.20225       4.618397      100.8215 2.499079 93.91018 2.458944 6.911308       3.505967 
1 1 1 2  1  18 o 542.6855 3.974160 2947.160       43.13054      2951.410       61.09688      2942.909       60.90560      543.0765 5.625072 542.2944 5.615547 0.7821045      7.948320 
1 1 1 2  1  19 o 249.0466 2.298163 620.3912       11.44858      619.1160       16.26605      621.6664       16.11019      248.7903 3.269029 249.3029 3.231048 -0.5126343     4.596327 
1 1 1 2  1  20 o 137.5048 1.743600 189.5817       4.725374      208.6391       5.887943      170.5244       7.389152      144.4366 2.038245 130.5730 2.829510 13.86356       3.487201 
1 1 1 2  1  21 o 157.7006 1.567708 248.7374       4.944993      245.9036       6.929367      251.5712       7.056180      156.8023 2.209587 158.5989 2.224536 -1.796555      3.135416 
1 1 1 2  1  22 o 464.2023 3.732754 2156.527       34.69997      2191.241       53.11263      2121.813       44.66788      467.9128 5.675484 460.4919 4.850019 7.420929       7.465508 
1 1 1 2  1  23 o 390.8726 3.194741 1529.547       24.93042      1574.888       33.73647      1483.498       36.72614      396.7291 4.251828 385.0161 4.769429 11.71298       6.389483 
1 1 1 2  1  24 o 541.7686 4.324047 2940.783       46.77907      3034.299       63.59063      2846.559       68.62064      550.4636 5.776097 533.0734 6.436322 17.39020       8.648094 
1 1 1 2  1  25 o 134.5885 1.680693 181.2220       4.534800      176.3336       5.762547      186.1103       7.003046      132.7759 2.170027 136.4010 2.567079 -3.625122      3.361386 
1 1 1 2  1  26 o 252.4929 2.059398 637.8192       10.40007      643.2034       14.85623      632.5058       14.55868      253.5509 2.929636 251.4350 2.895119 2.115875       4.118796 
1 1 1 2  1  27 o 179.5646 1.773033 322.6289       6.363315      320.2202       9.493254      325.0377       8.480167      178.8880 2.653408 180.2413 2.352449 -1.353302      3.546067 
1 1 1 2  1  28 o 154.2916 1.661541 238.2523       5.120689      245.3369       6.936451      231.1678       7.530843      156.5912 2.214828 151.9921 2.477380 4.599106       3.323082 
1 1 1 2  1  29 o 234.3650 1.943385 549.8294       9.110690      562.2273       13.18429      537.5024       12.58210      236.9972 2.781529 231.7327 2.714788 5.264420       3.886769 
1 1 1 2  1  30 o 148.9010 1.779356 222.1705       5.317639      236.7646       8.062181      207.5764       6.932909      153.7907 2.621153 144.0113 2.407072 9.779465       3.558713 
1 1 1 2  1  31 o 98.95601 1.472517 98.04973       2.914571      96.98705       4.101227      99.04156       4.141609      98.43740 2.083165 99.47461 2.081742 -1.037209      2.945034 
1 1 1 2  1  32 o 160.8856 1.580703 259.1516       5.087392      261.4896       7.311223      256.8138       7.074599      161.6090 2.262009 160.1621 2.208575 1.446915       3.161406 
1 1 1 2  1  33 o 28.23917 3.916236 8.281801       2.135274      6.305930       3.290758      10.25838       2.721872      24.53403 6.572451 31.94431 4.260340 -7.410273      7.832471 
1 1 1 2  1  34 o 221.6571 2.055736 492.5865       9.117774      495.0661       14.00609      490.1070       11.67529      222.1650 3.152183 221.1491 2.639686 1.015869       4.111472 
1 1 1 2  1  35 o 113.6930 1.551866 129.5050       3.557136      135.4560       5.925491      123.6248       3.937575      116.2582 2.548419 111.1278 1.771642 5.130341       3.103732 
1 1 1 2  1  36 o 101.2612 1.604219 102.7255       3.233374      100.1042       5.285758      105.4176       3.726456      99.91552 2.645114 102.6069 1.815889 -2.691429      3.208439 
1 1 1 2  1  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  1  38 o 74.48817 1.871646 55.71973       2.771463      53.70773       4.479541      57.72465       3.263129      73.09637 3.064133 75.87997 2.150191 -2.783600      3.743292 
1 1 1 2  1  39 o 113.2917 1.526052 128.7257       3.450869      127.4505       5.683908      130.0717       3.914196      112.6493 2.522834 113.9342 1.717744 -1.284920      3.052104 
1 1 1 2  1  40 o 90.46835 3.131952 83.45561       5.411863      74.38744       9.960832      92.52380       4.235834      84.95563 5.862373 95.98106 2.206599 -11.02544      6.263904 
1 1 1 2  1  41 o 38.25312 2.969866 15.16087       2.219579      19.22029       3.199368      11.10144       3.076806      43.54649 3.673509 32.95975 4.667521 10.58675       5.939732 
1 1 1 2  1  42 o 51.94806 2.698972 27.51627       2.798384      27.62254       3.160403      27.41000       4.619106      52.23495 3.025181 51.66117 4.470578 0.5737801      5.397943 
1 1 1 2  1  43 o 149.7473 2.959752 231.2387       8.961915      213.9524       9.939578      248.5957       14.91999      144.8371 3.431296 154.6575 4.823559 -9.820435      5.919503 
1 1 1 2  1  44 o 30.26471 5.771387 10.93141       3.608145      9.011506       4.444827      12.84423       5.683908      27.79419 7.723318 32.73523 8.578227 -4.941040      11.54277 
1 1 1 2  1  45 o 50.72562 3.276971 27.30373       3.338933      26.07811       3.390650      28.52935       5.752628      50.26742 3.372612 51.18382 5.619577 -0.9164009     6.553943 
1 1 1 2  1  46 o 51.33261 6.223652 30.27214       6.389527      30.27214       6.389527      ?              ?             51.33261 6.223652 ?        ?        ?              ?        
1 1 1 2  2  0  o 1152.800 11.75599 13304.72       270.9828      13304.72       270.9828      13304.72       270.9828      1152.800 11.75599 1152.800 11.75599 -0.000000      0.000000 
1 1 1 2  2  1  o 680.3511 4.922240 4631.857       66.97704      4650.986       95.07423      4612.021       94.36578      681.7814 6.972487 678.9208 6.949690 2.860596       9.844480 
1 1 1 2  2  2  o 548.3354 3.978056 3008.086       43.63354      3060.512       62.74757      2955.661       60.65056      553.1123 5.672227 543.5585 5.579028 9.553833       7.956112 
1 1 1 2  2  3  o 860.5866 6.209136 7410.406       106.9054      7233.293       147.4997      7594.603       154.7967      850.1095 8.675333 871.0637 8.885499 -20.95422      12.41827 
1 1 1 2  2  4  o 267.3197 2.164825 714.8279       11.56193      703.2801       17.28622      726.1631       15.35923      265.1779 3.259363 269.4615 2.849988 -4.283508      4.329651 
1 1 1 2  2  5  o 847.7651 6.624016 7190.786       112.5730      7015.798       143.2489      7374.983       173.6415      837.2541 8.554688 858.2762 10.11571 -21.02216      13.24803 
1 1 1 2  2  6  o 736.1148 5.746569 5423.198       84.51830      5466.414       111.7228      5379.274       126.9546      739.1097 7.557934 733.1199 8.658513 5.989746       11.49314 
1 1 1 2  2  7  o 332.9416 2.852383 1108.727       18.99359      1105.185       26.79365      1112.269       26.92825      332.4098 4.030213 333.4734 4.037541 -1.063599      5.704766 
1 1 1 2  2  8  f 299.0960 2.416254 894.7746       14.46659      884.1478       18.63937      905.4014       22.13203      297.3240 3.134521 300.8680 3.678031 -3.543915      4.832508 
1 1 1 2  2  9  o 284.3379 2.481072 808.3435       14.11236      804.0928       19.87916      813.3027       20.02793      283.5284 3.505673 285.1474 3.511857 -1.618988      4.962145 
1 1 1 2  2  10 o 338.0273 2.715318 1142.733       18.35599      1139.899       27.77131      1146.275       24.00235      337.5458 4.113710 338.5087 3.545307 -0.9628906     5.430636 
1 1 1 2  2  11 o 119.9201 1.270910 143.8866       3.062637      149.9792       4.855729      137.7939       3.734249      122.4589 1.982596 117.3812 1.590650 5.077652       2.541821 
1 1 1 2  2  12 o 322.1171 2.616045 1038.590       16.89658      1066.220       26.20563      1010.252       21.33148      326.4465 4.013771 317.7877 3.356248 8.658844       5.232090 
1 1 1 2  2  13 o 243.0569 2.179411 591.1321       10.60552      613.2358       15.76305      569.0993       14.20446      247.5925 3.183266 238.5213 2.977608 9.071152       4.358822 
1 1 1 2  2  14 o 200.7643 1.770500 403.2508       7.091603      390.5695       10.60552      415.9320       9.422408      197.6035 2.683537 203.9251 2.310262 -6.321640      3.540999 
1 1 1 2  2  15 o 74.29942 1.347460 55.25216       1.989332      52.32625       3.085308      58.17098       2.512878      72.33201 2.132740 76.26683 1.647426 -3.934822      2.694920 
1 1 1 2  2  16 o 648.6932 6.129017 4215.997       79.62997      4287.550       125.2543      4144.443       98.47480      654.0688 9.575008 643.3177 7.653668 10.75110       12.25803 
1 1 1 2  2  17 o 169.3561 1.758691 286.8521       5.950995      285.8603       10.13086      287.8440       6.251379      169.0585 2.996258 169.6538 1.842393 -0.5952301     3.517382 
1 1 1 2  2  18 o 288.4117 2.669514 832.4308       15.26005      798.4252       25.54677      866.4365       16.71238      282.4978 4.521587 294.3257 2.839096 -11.82785      5.339028 
1 1 1 2  2  19 o 363.2604 2.960919 1319.846       21.54402      1343.933       33.22639      1296.467       27.43834      366.5138 4.532762 360.0071 3.810805 6.506683       5.921838 
1 1 1 2  2  20 o 278.1116 3.035186 0.000000       0.000000      ?              ?             773.6293       16.88241      ?        ?        278.1116 3.035186 ?              ?        
1 1 1 2  2  21 o 179.3459 1.816640 321.9205       6.485168      305.4136       9.826226      338.4274       8.465999      174.7415 2.811647 183.9503 2.301165 -9.208817      3.633279 
1 1 1 2  2  22 o 87.27986 1.890799 76.22942       3.295009      75.37926       5.351645      77.00871       3.844768      86.81056 3.082370 87.74916 2.190772 -0.9385986     3.781598 
1 1 1 2  2  23 o 368.5683 2.935588 1359.519       21.73530      1399.192       35.33757      1319.846       25.31298      373.9152 4.725346 363.2214 3.484511 10.69376       5.871176 
1 1 1 2  2  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  25 o 235.7723 2.520394 556.4889       11.78155      531.9056       19.32656      581.0721       13.49601      230.5349 4.191678 241.0097 2.799889 -10.47473      5.040788 
1 1 1 2  2  26 o 563.4922 4.293733 3182.365       48.34475      3158.278       76.22942      3206.453       59.46744      561.2020 6.791620 565.7823 5.255329 -4.580322      8.587466 
1 1 1 2  2  27 f 144.8407 1.662253 209.9143       4.826682      213.5274       7.693786      206.3011       5.827724      146.0777 2.633458 143.6038 2.029098 2.473846       3.324506 
1 1 1 2  2  28 o 308.8758 2.499798 954.9930       15.45842      962.0775       24.81706      948.6169       18.43391      309.9048 4.003982 307.8468 2.994008 2.057983       4.999595 
1 1 1 2  2  29 o 336.2101 2.681153 1132.106       18.01593      1125.730       28.62854      1139.190       21.86991      335.1280 4.271285 337.2922 3.241982 -2.164246      5.362306 
1 1 1 2  2  30 o 285.1718 2.347319 814.7195       13.42516      831.7224       21.79198      797.7167       15.69929      288.0748 3.782347 282.2686 2.780913 5.806183       4.694638 
1 1 1 2  2  31 o 351.5757 2.910978 1240.499       20.46009      1234.123       31.15062      1246.875       26.53152      350.5685 4.442873 352.5828 3.762452 -2.014282      5.821955 
1 1 1 2  2  32 o 141.0301 1.624125 199.1458       4.577307      197.5164       7.155363      200.7752       5.707996      140.4330 2.547608 141.6273 2.015147 -1.194351      3.248250 
1 1 1 2  2  33 o 227.7213 2.080506 519.8619       9.479085      523.6167       14.66495      516.1780       12.02243      228.4810 3.209228 226.9615 2.648561 1.519455       4.161012 
1 1 1 2  2  34 o 174.8412 1.784657 306.3346       6.257046      312.8523       9.882903      299.8168       7.672533      176.6621 2.797120 173.0203 2.217234 3.641800       3.569314 
1 1 1 2  2  35 o 115.7321 1.746260 134.1808       4.041717      134.3933       5.816390      134.0391       5.614480      115.8044 2.511299 115.6598 2.427153 0.1445770      3.492520 
1 1 1 2  2  36 o 217.9336 2.212761 476.8589       9.649114      492.1615       14.14070      461.6272       13.14178      221.4057 3.193390 214.4615 3.063902 6.944214       4.425521 
1 1 1 2  2  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  38 o 284.2652 3.050121 816.1365       17.30039      833.1393       22.06827      799.8421       26.65196      287.4665 3.838408 281.0638 4.741264 6.402679       6.100243 
1 1 1 2  2  39 o 83.51189 2.947132 70.68932       4.896819      64.93669       7.141194      76.44194       6.701954      80.03633 4.461221 86.98743 3.852254 -6.951103      5.894264 
1 1 1 2  2  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  2  41 o 70.57059 3.071162 50.78183       4.339975      52.46794       6.439118      49.09571       5.820640      71.69626 4.490554 69.44491 4.190832 2.251350       6.142325 
1 1 1 2  2  42 o 79.41988 2.993485 64.64622       4.755837      65.19173       7.039886      64.10072       6.397319      79.66897 4.418211 79.17078 4.040203 0.4981842      5.986971 
1 1 1 2  2  43 o 77.22472 3.225401 62.01078       4.995294      65.41843       7.537927      58.60313       6.554596      79.22114 4.757522 75.22829 4.356470 3.992844       6.450802 
1 1 1 2  2  44 o 14.75883 4.813569 -3.360187      3.416863      -6.036009      5.057637      -0.6840810     4.596435      13.50146 6.481813 16.01620 7.118137 -2.514745      9.627137 
1 1 1 2  2  45 o 99.72639 2.372106 102.6547       4.726081      99.89171       6.835852      105.4885       6.529091      98.24940 3.478826 101.2034 3.225729 -2.953964      4.744213 
1 1 1 2  2  46 o 42.93821 4.408863 21.25355       3.802261      19.77289       4.774965      22.72713       5.918406      41.90818 5.696937 43.96824 6.730319 -2.060062      8.817726 
1 1 1 2  3  0  o 1915.962 19.54654 36804.07       748.8336      36804.07       748.8336      36804.07       748.8336      1915.962 19.54654 1915.962 19.54654 0.000000       0.000000 
1 1 1 2  3  1  o 435.1519 3.184807 1893.692       27.71463      1882.356       38.95776      1905.735       39.43951      433.8094 4.490194 436.4944 4.517757 -2.685028      6.369613 
1 1 1 2  3  2  o 181.1349 1.575007 328.1548       5.709413      326.5254       7.424574      329.7135       8.671450      180.6957 2.054442 181.5740 2.387855 -0.8783722     3.150013 
1 1 1 2  3  3  o 536.1503 3.901126 2875.606       41.83408      2861.437       58.85817      2889.775       59.46036      534.8298 5.502514 537.4707 5.531498 -2.640869      7.802252 
1 1 1 2  3  4  o 668.6107 4.841971 4473.165       64.76666      4461.121       91.31944      4484.500       91.81535      667.7374 6.837975 669.4839 6.857174 -1.746460      9.683942 
1 1 1 2  3  5  o 525.7102 3.827746 2764.379       40.24714      2731.790       56.25108      2797.676       57.58296      522.5790 5.382064 528.8413 5.444257 -6.262268      7.655491 
1 1 1 2  3  6  o 857.1327 6.193567 7353.730       106.1969      7452.913       152.1046      7254.546       148.2081      862.9084 8.813484 851.3570 8.704228 11.55145       12.38713 
1 1 1 2  3  7  o 638.7224 5.016435 4082.808       64.18573      4164.988       98.68733      4000.627       82.10956      645.1166 7.648798 632.3281 6.492639 12.78851       10.03287 
1 1 1 2  3  8  o 539.6346 4.247565 2913.862       45.82974      2902.527       69.10947      2925.198       60.21132      538.5615 6.416117 540.7077 5.567825 -2.146179      8.495130 
1 1 1 2  3  9  o 767.0419 6.008001 5893.611       92.16957      5921.948       140.0609      5865.272       119.9409      768.7883 9.109200 765.2953 7.836248 3.492981       12.01600 
1 1 1 2  3  10 o 326.1939 2.644672 1064.095       17.25788      1066.928       26.21272      1061.969       22.45084      326.5641 4.013412 325.8238 3.445242 0.7402344      5.289344 
1 1 1 2  3  11 o 254.1378 2.126326 646.0372       10.80389      647.5958       14.09819      644.4786       16.37940      254.4496 2.770330 253.8260 3.226502 0.6235809      4.252652 
1 1 1 2  3  12 o 386.0460 3.102086 1491.291       23.96692      1506.877       36.68364      1475.705       30.86724      388.0439 4.726737 384.0480 4.018670 3.995850       6.204173 
1 1 1 2  3  13 o 337.0049 2.735662 1136.357       18.42683      1123.605       27.74297      1149.109       24.25031      335.1011 4.139493 338.9087 3.577704 -3.807648      5.471323 
1 1 1 2  3  14 o 178.5712 1.645915 319.0158       5.863147      308.8850       8.820225      329.1467       7.729208      175.7324 2.509561 181.4100 2.130315 -5.677582      3.291829 
1 1 1 2  3  15 o 301.4230 2.487463 908.9437       14.97667      893.3577       22.50751      924.5295       19.76581      298.8307 3.765930 304.0152 3.250793 -5.184418      4.974926 
1 1 1 2  3  16 o 431.3303 3.949929 1861.811       34.08361      1864.645       56.00311      1858.978       38.85858      431.6039 6.487791 431.0566 4.507364 0.5472107      7.899858 
1 1 1 2  3  17 o 293.3087 2.597572 860.7689       15.27422      906.1099       22.98926      816.1365       20.12003      300.9722 3.819167 285.6452 3.521858 15.32700       5.195144 
1 1 1 2  3  18 o 668.0494 5.270016 4469.623       70.29967      4349.186       103.8590      4590.060       94.79085      658.9951 7.880106 677.1037 6.999729 -18.10858      10.54003 
1 1 1 2  3  19 o 55.77431 1.650766 31.43401       1.786007      25.06503       2.706994      37.81007       2.330098      50.06109 2.703691 61.48754 1.894772 -11.42645      3.301531 
1 1 1 2  3  20 o 270.4837 3.427227 0.000000       0.000000      ?              ?             731.8307       18.54018      ?        ?        270.4837 3.427227 ?              ?        
1 1 1 2  3  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  22 o 438.3019 3.583096 1922.030       31.40567      1920.613       47.73548      1924.155       40.82808      438.0769 5.448300 438.5269 4.655139 -0.4500122     7.166191 
1 1 1 2  3  23 f 354.3766 3.177780 1256.793       22.52168      1238.374       31.58987      1275.213       32.11412      351.7798 4.490005 356.9734 4.498110 -5.193634      6.355560 
1 1 1 2  3  24 o 64.41174 3.287541 41.50819       4.235125      41.50819       4.235125      ?              ?             64.41174 3.287541 ?        ?        ?              ?        
1 1 1 2  3  25 o 293.3532 3.330476 862.1858       19.55327      911.7775       28.53644      812.5942       26.73697      301.7957 4.727775 284.9108 4.692165 16.88486       6.660951 
1 1 1 2  3  26 o 327.1062 3.366669 1072.596       21.90533      1005.293       32.90050      1139.899       28.92608      316.7883 5.192822 337.4241 4.286310 -20.63580      6.733339 
1 1 1 2  3  27 o 364.5243 3.252235 1331.889       23.71188      1317.012       33.42476      1346.058       33.63729      362.5345 4.609872 366.5140 4.588814 -3.979431      6.504470 
1 1 1 2  3  28 o 464.9959 4.036208 2169.988       37.53378      2167.154       53.16222      2172.822       53.00636      464.6887 5.720198 465.3031 5.695897 -0.6143494     8.072415 
1 1 1 2  3  29 o 136.8855 2.248654 187.5980       6.150070      190.5027       8.026759      184.7642       9.316141      137.9468 2.909367 135.8242 3.429485 2.122635       4.497309 
1 1 1 2  3  30 o 142.9963 2.574808 204.8842       7.360813      203.2548       10.78264      206.5845       10.02459      142.4030 3.785958 143.5895 3.490712 -1.186508      5.149616 
1 1 1 2  3  31 o 173.4198 2.741158 301.2337       9.507423      301.2337       9.507423      ?              ?             173.4198 2.741158 ?        ?        ?              ?        
1 1 1 2  3  32 o 181.6057 2.802900 330.4219       10.18045      330.4219       10.18045      ?              ?             181.6057 2.802900 ?        ?        ?              ?        
1 1 1 2  3  33 o 249.4071 2.759941 624.8545       13.76522      625.3504       17.07369      624.3586       21.59361      249.6366 3.419708 249.1775 4.332977 0.4591370      5.519882 
1 1 1 2  3  34 o 211.4767 2.890593 449.6544       12.22079      442.3573       17.52001      456.9514       17.04535      209.7358 4.176686 213.2175 3.997174 -3.481689      5.781185 
1 1 1 2  3  35 o 186.5117 2.770267 349.7626       10.32923      344.3784       14.91291      355.0760       14.29656      185.0571 4.029274 187.9665 3.802954 -2.909409      5.540533 
1 1 1 2  3  36 o 152.9137 2.734138 235.2060       8.366816      236.6938       12.41208      233.7182       11.21479      153.3546 4.046854 152.4728 3.677637 0.8818359      5.468276 
1 1 1 2  3  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  38 o 87.82222 3.322391 78.14223       5.814264      72.75800       8.444746      83.59731       7.991336      84.70672 4.984696 90.93772 4.393851 -6.231003      6.644782 
1 1 1 2  3  39 o 100.7963 2.989671 103.0089       6.003421      96.20776       8.749379      109.7392       8.225125      97.40158 4.491395 104.1910 3.947140 -6.789375      5.979343 
1 1 1 2  3  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  41 o 62.94533 3.889969 41.31691       4.767172      32.64546       7.000920      49.98836       6.472415      55.98190 6.252843 69.90875 4.629189 -13.92685      7.779938 
1 1 1 2  3  42 o 78.60941 3.300979 63.76067       5.195786      65.45387       7.778800      62.06038       6.891110      79.53876 4.889944 77.68005 4.435573 1.858704       6.601959 
1 1 1 2  3  43 o 41.18425 6.160376 20.53802       4.932950      21.72113       7.545012      19.34782       6.355521      41.95364 9.241227 40.41486 8.148658 1.538784       12.32075 
1 1 1 2  3  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  3  45 o 21.15459 5.570522 4.215996       3.426073      8.288886       5.030716      0.1465078      4.652403      25.86195 8.455841 16.44723 7.254077 9.414724       11.14104 
1 1 1 2  3  46 o 53.06487 3.566624 30.98060       3.783841      30.27214       5.389193      31.68196       5.311971      52.36242 5.146050 53.76733 4.939776 -1.404903      7.133248 
1 1 1 2  4  0  o 761.5618 7.797428 5803.637       118.7365      5803.637       118.7365      5803.637       118.7365      761.5618 7.797428 761.5618 7.797428 -0.000000      0.000000 
1 1 1 2  4  1  o 211.5742 1.816479 447.6707       7.686701      447.4582       10.06710      447.8832       11.61861      211.5251 2.379647 211.6233 2.745116 -0.9815979E-01 3.632957 
1 1 1 2  4  2  o 426.7637 3.141985 1821.429       26.82199      1795.217       37.38500      1848.351       38.46893      423.6525 4.412225 429.8749 4.474433 -6.222443      6.283970 
1 1 1 2  4  3  o 345.0927 2.574992 1191.616       17.78922      1242.624       26.16313      1140.607       24.11570      352.4811 3.711281 337.7042 3.570536 14.77689       5.149983 
1 1 1 2  4  4  o 708.6556 5.137370 5025.049       72.82884      4980.417       102.0879      5069.681       103.8590      705.5102 7.235041 711.8011 7.295509 -6.290894      10.27474 
1 1 1 2  4  5  o 1182.211 9.233336 14006.09       218.7699      14346.15       337.5773      13666.04       278.3507      1196.369 14.10841 1168.054 11.91515 28.31543       18.46667 
1 1 1 2  4  6  o 146.4838 1.400858 214.5900       4.101936      216.5029       5.518131      212.6772       6.071432      147.1371 1.875167 145.8306 2.081673 1.306519       2.801716 
1 1 1 2  4  7  o 1224.344 8.845903 15026.26       216.6445      15175.04       309.3809      14877.49       303.2882      1230.391 12.57247 1218.297 12.44722 12.09338       17.69181 
1 1 1 2  4  8  o 704.9129 5.116694 4974.040       72.12038      4937.909       101.3086      5010.880       102.7255      702.3302 7.212320 707.4956 7.259799 -5.165405      10.23339 
1 1 1 2  4  9  o 383.9674 2.948717 1474.997       22.62795      1467.204       35.76265      1482.790       27.73589      382.9307 4.669598 385.0041 3.602025 -2.073425      5.897434 
1 1 1 2  4  10 o 306.2673 2.517380 938.6987       15.41591      937.2817       23.39308      939.4071       20.09169      306.0853 3.821333 306.4494 3.278142 -0.3640442     5.034760 
1 1 1 2  4  11 o 674.6985 5.311653 4560.304       71.76617      4614.855       109.6683      4505.753       92.52380      678.6417 8.079988 670.7554 6.896986 7.886353       10.62331 
1 1 1 2  4  12 o 401.2347 3.224313 1611.019       25.87266      1611.728       39.24114      1610.311       33.73647      401.3020 4.889229 401.1675 4.204786 0.1344910      6.448627 
1 1 1 2  4  13 o 477.2645 3.802479 2279.798       36.29399      2277.673       54.96877      2282.632       47.40251      476.9687 5.762304 477.5602 4.962987 -0.5915833     7.604959 
1 1 1 2  4  14 o 411.8433 3.685904 1697.451       30.49177      1730.039       52.43252      1665.570       31.14354      415.6691 6.307003 408.0175 3.816447 7.651550       7.371808 
1 1 1 2  4  15 o 280.4866 2.577933 787.0900       14.38157      770.7955       25.09336      803.3843       14.05568      277.5561 4.520412 283.4170 2.479682 -5.860901      5.155866 
1 1 1 2  4  16 o 744.2484 6.619255 5552.137       97.97889      5338.184       156.0011      5765.381       118.5240      729.7074 10.68929 758.7894 7.810071 -29.08197      13.23851 
1 1 1 2  4  17 o 353.4705 3.527237 1249.709       24.95167      1258.210       39.26240      1241.916       30.81057      354.6015 5.536129 352.3394 4.372285 2.262085       7.054473 
1 1 1 2  4  18 o 479.7621 7.201725 2309.553       69.25824      2444.159       103.7173      2174.947       91.81535      493.7160 10.50375 465.8081 9.855491 27.90790       14.40345 
1 1 1 2  4  19 o 497.6703 4.797093 2478.873       47.68589      2446.284       73.53729      2512.170       60.72141      494.3157 7.438293 501.0248 6.059720 -6.709106      9.594186 
1 1 1 2  4  20 o 423.7619 4.555654 1798.051       38.61062      1752.001       54.09029      1844.100       55.11047      418.3329 6.464982 429.1908 6.420276 -10.85791      9.111308 
1 1 1 2  4  21 o 145.4705 2.903968 211.7562       8.458915      214.3775       12.85132      209.0641       10.99517      146.3785 4.389756 144.5624 3.802915 1.816055       5.807936 
1 1 1 2  4  22 o 548.4783 5.308831 3014.462       58.00803      2878.440       87.35210      3150.485       76.37110      536.0220 8.148183 560.9346 6.807487 -24.91260      10.61766 
1 1 1 2  4  23 o 342.2643 3.836359 1172.488       26.28356      1196.575       39.12070      1149.109       35.11795      345.7114 5.658001 338.8172 5.182434 6.894135       7.672718 
1 1 1 2  4  24 o 392.8618 4.354926 1546.550       34.21822      1514.670       47.92677      1577.722       48.85484      388.8559 6.162536 396.8678 6.155052 -8.011902      8.709851 
1 1 1 2  4  25 o 445.7642 4.835202 1992.167       43.12346      2034.674       62.51378      1948.951       59.41785      450.5461 6.937557 440.9824 6.736988 9.563721       9.670403 
1 1 1 2  4  26 o 118.0195 3.730764 0.000000       0.000000      ?              ?             139.4233       8.806056      ?        ?        118.0195 3.730764 ?              ?        
1 1 1 2  4  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  28 o 168.8658 2.754922 285.6478       9.301972      285.0810       13.61644      286.2145       12.68129      168.6876 4.035994 169.0439 3.750886 -0.3562622     5.509845 
1 1 1 2  4  29 o 286.7729 3.450790 825.3463       19.79414      825.3463       28.37349      824.6379       27.60128      286.8222 4.946182 286.7237 4.813220 0.9848022E-01  6.901579 
1 1 1 2  4  30 o 562.7854 6.030510 3206.453       67.88385      3161.820       95.00338      3251.085       96.98705      558.8918 8.499266 566.6791 8.557493 -7.787292      12.06102 
1 1 1 2  4  31 o 54.04447 4.914679 29.68413       5.331808      25.31298       6.913073      34.05528       8.118857      50.04708 6.906569 58.04185 6.993968 -7.994766      9.829358 
1 1 1 2  4  32 o 68.06268 4.135816 47.20414       5.651320      37.57628       7.190785      56.83200       8.721042      61.04397 5.889841 75.08140 5.807724 -14.03743      8.271632 
1 1 1 2  4  33 o 97.46638 3.462788 96.06606       6.804679      83.95154       8.494337      108.1806       10.63386      91.33015 4.650346 103.6026 5.132044 -12.27245      6.925575 
1 1 1 2  4  34 o 205.7898 4.085868 428.3299       16.81865      431.7305       24.51952      424.8586       23.03177      206.5518 5.935441 205.0278 5.616744 1.524002       8.171736 
1 1 1 2  4  35 o 44.25198 7.632403 21.06227       6.804679      20.70805       11.03059      21.41650       7.970083      43.67159 12.17711 44.83239 9.205012 -1.160801      15.26481 
1 1 1 2  4  36 o 47.85980 6.997264 26.47484       7.219123      45.15672       11.88074      7.792970       8.203872      66.13503 8.982183 29.58458 10.73160 36.55045       13.99453 
1 1 1 2  4  37 o 57.48169 9.138857 0.000000       0.000000      ?              ?             34.62912       10.50634      ?        ?        57.48169 9.138857 ?              ?        
1 1 1 2  4  38 o 53.87121 7.030318 33.11303       7.445828      49.93168       11.73196      16.30148       9.167366      69.24047 8.471896 38.50195 11.22178 30.73853       14.06064 
1 1 1 2  4  39 o 168.0296 4.085456 289.1192       13.72271      279.9801       19.43283      298.2582       19.38324      165.3050 5.877872 170.7541 5.675776 -5.449127      8.170913 
1 1 1 2  4  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  41 o 148.7616 3.604509 227.7673       10.73304      230.8136       17.50584      224.6501       12.41916      149.0833 5.871164 148.4400 4.183227 0.6432953      7.209019 
1 1 1 2  4  42 o 58.80503 5.689576 38.24223       6.269798      34.27490       10.31506      42.21664       7.134109      54.13681 9.894606 63.47325 5.619776 -9.336437      11.37915 
1 1 1 2  4  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  4  45 o 42.97134 7.367964 25.26339       6.279717      27.24706       8.905238      23.28681       8.855647      45.11573 10.11990 40.82695 10.71145 4.288784       14.73593 
1 1 1 2  4  46 o 44.67891 6.905643 28.38058       6.196828      20.80014       8.515590      35.96810       9.004422      36.58465 10.86137 52.77317 8.531249 -16.18853      13.81129 
1 1 1 2  5  0  o 398.8990 4.194220 1591.891       33.45309      1591.891       33.45309      1591.891       33.45309      398.8990 4.194220 398.8990 4.194220 -0.000000      0.000000 
1 1 1 2  5  1  o 418.0526 3.096961 1747.751       25.89391      1730.748       36.27982      1765.462       36.95993      415.9775 4.360791 420.1277 4.398654 -4.150146      6.193921 
1 1 1 2  5  2  o 386.2257 2.881366 1492.000       22.25956      1501.209       31.67488      1482.790       31.27814      387.4175 4.087951 385.0339 4.061739 2.383636       5.762731 
1 1 1 2  5  3  o 278.3181 2.151359 774.3378       11.97283      774.3378       16.94617      775.0463       16.92491      278.2545 3.045084 278.3818 3.039875 -0.1272888     4.302717 
1 1 1 2  5  4  o 709.7386 5.161067 5041.343       73.25391      4936.492       101.5211      5145.485       105.7010      702.3859 7.226877 717.0912 7.370122 -14.70532      10.32213 
1 1 1 2  5  5  o 262.8582 2.207327 691.0239       11.61861      681.9557       15.08294      700.1629       17.66879      261.1290 2.888024 264.5872 3.338934 -3.458221      4.414653 
1 1 1 2  5  6  o 300.3262 2.301696 902.5676       13.84315      943.6578       20.41050      861.4774       18.70313      307.1651 3.322398 293.4873 3.186360 13.67776       4.603393 
1 1 1 2  5  7  o 356.9933 2.686102 1274.505       19.18487      1293.633       27.48793      1256.085       26.75822      359.6214 3.821787 354.3651 3.775516 5.256287       5.372205 
1 1 1 2  5  8  o 40.96909 1.678008 16.86115       1.366603      19.09278       1.943992      14.62953       1.922029      43.69261 2.224623 38.24558 2.512747 5.447025       3.356017 
1 1 1 2  5  9  o 255.0519 2.185612 650.8546       11.17937      671.3997       17.40666      630.3095       14.04151      259.0721 3.359424 251.0317 2.796762 8.040482       4.371225 
1 1 1 2  5  10 f 260.8533 2.227943 680.6805       11.63986      667.0782       14.84915      694.3536       17.93800      258.2466 2.874995 263.4601 3.404311 -5.213531      4.455887 
1 1 1 2  5  11 o 85.23320 1.219200 72.68716       2.078598      75.02505       2.998876      70.32092       2.879857      86.61282 1.731197 83.85358 1.717193 2.759232       2.438400 
1 1 1 2  5  12 o 323.0709 2.554617 1044.258       16.53526      1056.302       26.49610      1032.214       19.77997      324.9139 4.077403 321.2279 3.078807 3.685974       5.109233 
1 1 1 2  5  13 o 99.81676 1.355329 99.75002       2.692117      94.50746       4.092017      104.9217       3.499043      97.20743 2.104786 102.4261 1.708082 -5.218658      2.710659 
1 1 1 2  5  14 o 734.1158 5.785138 5400.528       84.94337      5423.198       129.0799      5377.149       110.5185      735.5697 8.774146 732.6619 7.542257 2.907837       11.57028 
1 1 1 2  5  15 o 251.7924 2.174035 634.2769       10.92433      613.5901       16.26605      655.0345       14.58702      247.6743 3.283760 255.9105 2.850024 -8.236267      4.348070 
1 1 1 2  5  16 o 557.8323 4.874321 3115.063       54.19656      3063.346       91.10690      3166.780       58.68106      553.0831 8.236277 562.5815 5.215338 -9.498474      9.748641 
1 1 1 2  5  17 o 360.7178 3.604205 1302.134       25.92933      1267.420       39.86458      1336.849       33.17680      355.8877 5.600726 365.5479 4.537955 -9.660248      7.208409 
1 1 1 2  5  18 o 438.2429 5.813279 1924.155       51.10771      1957.452       84.37660      1890.149       57.68214      441.9540 9.545857 434.5317 6.637278 7.422363       11.62656 
1 1 1 2  5  19 o 580.3157 5.553902 3372.230       64.33451      3292.176       98.19141      3452.994       83.10139      573.3245 8.563336 587.3069 7.074784 -13.98242      11.10780 
1 1 1 2  5  20 o 446.5800 4.856208 1997.126       43.38559      2029.006       62.52087      1965.245       60.16173      450.1379 6.944635 443.0220 6.789925 7.115875       9.712417 
1 1 1 2  5  21 o 55.63779 7.542981 31.65363       8.239295      30.69013       14.32489      32.62420       8.133026      54.19572 13.29779 57.07985 7.124253 -2.884129      15.08596 
1 1 1 2  5  22 o 114.7239 3.923183 131.8429       8.940661      123.1998       13.58811      140.5568       11.62569      110.9335 6.124438 118.5143 4.904766 -7.580765      7.846366 
1 1 1 2  5  23 o 534.5421 5.721380 2864.271       61.16772      2840.892       86.21858      2888.358       86.78535      532.3266 8.098279 536.7576 8.084221 -4.431030      11.44276 
1 1 1 2  5  24 o 383.1947 4.295256 1470.746       32.93592      1506.168       47.96927      1436.032       45.14255      387.7506 6.185584 378.6388 5.961163 9.111816       8.590512 
1 1 1 2  5  25 o 595.2327 6.305340 3557.845       75.09589      3474.248       104.0716      3641.442       108.2514      588.2579 8.845744 602.2075 8.987885 -13.94965      12.61068 
1 1 1 2  5  26 o 106.3829 3.514944 114.4150       7.360813      135.9519       10.27255      92.87803       10.54176      116.5079 4.408521 96.25792 5.475790 20.24999       7.029888 
1 1 1 2  5  27 o 484.1771 6.421665 2364.104       62.10288      2375.439       72.97054      2352.060       100.5293      486.0064 7.507158 482.3479 10.42083 3.658478       12.84333 
1 1 1 2  5  28 o 183.0538 3.973756 336.4438       14.53035      324.0458       20.94184      348.8416       20.14837      179.6543 5.828370 186.4533 5.403059 -6.798996      7.947512 
1 1 1 2  5  29 f 299.1232 5.071181 901.1507       30.34299      861.4774       42.12454      941.5324       43.67605      292.4706 7.201501 305.7758 7.141841 -13.30530      10.14236 
1 1 1 2  5  30 o 145.0937 3.854146 213.3148       11.33523      250.7211       18.12220      175.9086       13.61644      157.8728 5.739492 132.3146 5.145482 25.55826       7.708292 
1 1 1 2  5  31 o 207.5607 4.180606 434.2810       17.34998      424.1501       24.79581      444.4826       24.26447      205.0937 6.044995 210.0276 5.776496 -4.933884      8.361212 
1 1 1 2  5  32 o 249.5463 6.617613 629.6011       33.02802      629.6011       33.02802      ?              ?             249.5463 6.617613 ?        ?        ?              ?        
1 1 1 2  5  33 o 265.9282 4.163768 714.8279       22.10369      709.8687       36.25856      719.0786       25.29881      264.5901 6.851836 267.2663 4.732885 -2.676178      8.327536 
1 1 1 2  5  34 o 107.4499 3.148196 116.4695       6.733834      107.6138       9.826226      125.2543       9.209873      103.3212 4.755184 111.5786 4.127079 -8.257378      6.296392 
1 1 1 2  5  35 o 47.25977 5.403139 22.87591       5.141234      24.88791       8.026759      20.86390       6.426365      49.27257 8.145261 45.24696 7.101435 4.025616       10.80628 
1 1 1 2  5  36 o 18.70036 6.129450 -6.687077      5.595352      -9.096521      8.784801      -4.278340      6.930784      18.95936 8.918111 18.44135 8.411180 0.5180054      12.25890 
1 1 1 2  5  37 o 111.1900 3.665951 125.8210       8.040927      112.0062       12.22079      139.7067       10.45675      104.8353 5.828571 117.5448 4.447984 -12.70955      7.331903 
1 1 1 2  5  38 o 130.4415 3.153877 172.1538       8.232210      174.7751       12.35540      169.6034       10.88890      131.3348 4.703778 129.5482 4.202646 1.786652       6.307755 
1 1 1 2  5  39 o 196.7741 3.102532 392.6948       12.22079      403.9592       17.90258      381.5013       16.63445      199.5257 4.486283 194.0224 4.286733 5.503265       6.205064 
1 1 1 2  5  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  41 o 28.87399 6.673330 8.090520       5.050553      15.78431       7.467082      0.3971581      6.801846      37.01690 9.893183 20.73108 8.958699 16.28582       13.34666 
1 1 1 2  5  42 o 70.79045 4.004385 52.70882       5.646361      48.16055       8.069265      57.25708       7.899237      67.54052 5.973649 74.04039 5.334411 -6.499870      8.008771 
1 1 1 2  5  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  5  45 o 27.92487 6.363841 9.925409       4.257795      6.835143       6.307346      13.02134       5.722165      24.02847 9.260705 31.82128 8.731163 -7.792807      12.72768 
1 1 1 2  5  46 o 34.05628 5.681748 15.74888       4.245043      24.21488       6.470290      7.275800       5.496878      44.61012 7.252042 23.50245 8.748540 21.10768       11.36350 
1 1 1 2  6  0  o 547.2860 5.682856 2996.751       62.18790      2996.751       62.18790      2996.751       62.18790      547.2860 5.682856 547.2860 5.682856 -0.000000      0.000000 
1 1 1 2  6  1  o 427.3033 3.182879 1826.389       27.20455      1803.010       38.00844      1849.768       38.92942      424.5689 4.476121 430.0377 4.526280 -5.468842      6.365758 
1 1 1 2  6  2  o 225.0559 1.847495 506.5430       8.317224      507.5349       11.76738      505.5512       11.75322      225.2762 2.611768 224.8355 2.613736 0.4407043      3.694990 
1 1 1 2  6  3  o 436.4257 3.246228 1905.735       28.34516      1945.409       40.89184      1865.354       39.25531      441.0092 4.636166 431.8422 4.545100 9.166992       6.492455 
1 1 1 2  6  4  o 507.8222 3.742402 2579.473       38.00844      2595.059       54.06904      2564.595       53.43852      509.3208 5.307955 506.3236 5.277111 2.997131       7.484804 
1 1 1 2  6  5  o 136.6106 1.506074 186.6062       4.112563      188.3773       5.455787      184.9059       6.155029      137.2464 1.987588 135.9747 2.263299 1.271698       3.012147 
1 1 1 2  6  6  o 377.6556 2.843826 1426.822       21.48734      1455.160       30.94518      1398.484       29.81165      381.4053 4.056731 373.9059 3.986518 7.499329       5.687653 
1 1 1 2  6  7  o 386.2177 2.905989 1492.000       22.45084      1467.912       31.27106      1516.795       32.22039      383.0558 4.081789 389.3796 4.137401 -6.323730      5.811977 
1 1 1 2  6  8  o 528.8384 3.892548 2799.093       41.17522      2810.428       58.46144      2787.758       57.98678      529.9083 5.516185 527.7686 5.493580 2.139771       7.785096 
1 1 1 2  6  9  o 161.9505 1.662314 262.3397       5.377149      266.5904       7.054055      258.0890       8.118857      163.2647 2.160312 160.6363 2.527093 2.628387       3.324628 
1 1 1 2  6  10 o 314.8704 2.426596 991.8326       15.28131      1003.168       21.84865      980.4973       21.37399      316.6691 3.449761 313.0717 3.413594 3.597443       4.853192 
1 1 1 2  6  11 o 265.3423 2.106280 704.5553       11.17937      724.0377       16.19521      684.7895       15.42300      269.0382 3.009834 261.6463 2.947298 7.391876       4.212561 
1 1 1 2  6  12 o 242.1277 1.961364 586.4564       9.493254      588.7943       13.48892      584.0477       13.37557      242.6176 2.779873 241.6379 2.767689 0.9796600      3.922728 
1 1 1 2  6  13 o 510.8101 3.771034 2611.353       38.52561      2615.604       54.60747      2607.811       54.35950      511.1904 5.341206 510.4297 5.324877 0.7606812      7.542068 
1 1 1 2  6  14 o 368.3934 3.302325 1358.102       24.44159      1386.440       41.83408      1329.764       25.29881      372.1878 5.620022 364.5990 3.469402 7.588837       6.604650 
1 1 1 2  6  15 o 320.3141 2.685259 1026.547       17.25080      1054.885       26.80782      998.2086       21.70696      324.7266 4.127752 315.9017 3.435714 8.824860       5.370519 
1 1 1 2  6  16 o 297.0934 2.724083 883.4393       16.20229      840.2238       21.90533      926.6550       23.88899      289.8243 3.779071 304.3626 3.924429 -14.53836      5.448167 
1 1 1 2  6  17 o 320.2268 2.700354 1025.838       17.27914      1014.503       26.17021      1037.173       22.57127      318.4488 4.109014 322.0049 3.504804 -3.556030      5.400707 
1 1 1 2  6  18 o 119.4528 2.347849 142.7530       5.569139      138.6440       9.564099      146.8620       5.709413      117.7262 4.062011 121.1794 2.355769 -3.453209      4.695698 
1 1 1 2  6  19 o 498.8799 4.874482 2492.333       48.84775      2574.514       78.00054      2410.153       58.78732      507.0375 7.691792 490.7222 5.989879 16.31531       9.748964 
1 1 1 2  6  20 o 413.4003 4.157498 1710.911       34.48035      1752.001       54.99002      1669.821       41.60737      418.3151 6.572800 408.4855 5.092883 9.829590       8.314996 
1 1 1 2  6  21 o 439.9124 6.917457 1943.992       61.09688      1776.089       79.48829      2111.186       92.80718      420.9531 9.441468 458.8717 10.11254 -37.91867      13.83491 
1 1 1 2  6  22 o 121.7678 4.246529 148.4915       10.35756      143.6032       13.75813      153.3798       15.48676      119.7692 5.743603 123.7665 6.256442 -3.997299      8.493058 
1 1 1 2  6  23 o 234.2064 4.557064 549.5461       21.33148      535.6604       30.52010      563.4317       29.81874      231.2374 6.599302 237.1754 6.286220 -5.938065      9.114128 
1 1 1 2  6  24 o 511.9792 7.814150 2636.858       80.12590      2736.041       117.8155      2538.383       108.5348      521.5103 11.29561 502.4481 10.80060 19.06226       15.62830 
1 1 1 2  6  25 o 324.7941 5.385289 1058.427       35.00460      1081.806       51.19273      1035.048       47.74965      328.3569 7.795287 321.2314 7.432284 7.125549       10.77058 
1 1 1 2  6  26 o 205.4403 4.223399 423.3708       17.35707      424.5043       25.68138      422.3081       23.35057      205.6765 6.243150 205.2042 5.689594 0.4722443      8.446798 
1 1 1 2  6  27 o 71.78879 4.863070 51.79491       6.992419      52.26249       11.88782      51.32024       7.367898      72.03806 8.251069 71.53951 5.149531 0.4985504      9.726140 
1 1 1 2  6  28 o 28.18352 6.503651 6.201787       4.971914      15.02626       7.736294      -2.620563      6.247837      37.85916 10.04802 18.50787 8.259974 19.35129       13.00730 
1 1 1 2  6  29 o 221.3669 3.143534 491.7364       13.94233      516.4614       20.82848      467.0114       18.54727      226.9151 4.589489 215.8186 4.296957 11.09642       6.287069 
1 1 1 2  6  30 f 206.7583 3.062089 429.0384       12.66003      421.9539       18.15762      436.1938       17.64045      205.0256 4.428134 208.4910 4.230507 -3.465317      6.124178 
1 1 1 2  6  31 o 260.7215 4.726699 0.000000       0.000000      ?              ?             683.3018       24.64704      ?        ?        260.7215 4.726699 ?              ?        
1 1 1 2  6  32 o 74.01514 3.825555 55.27341       5.627941      51.63905       8.473083      58.90068       7.410406      71.52410 5.923236 76.50617 4.843012 -4.982071      7.651110 
1 1 1 2  6  33 o 91.98099 3.427936 85.15590       6.303096      84.37660       9.450747      86.00604       8.338477      91.49857 5.164423 92.46341 4.509069 -0.9648361     6.855871 
1 1 1 2  6  34 o 142.4507 3.001241 204.2466       8.558097      208.4265       12.73088      200.0668       11.44150      143.8691 4.424467 141.0323 4.056340 2.836823       6.002482 
1 1 1 2  6  35 o 124.7761 3.211791 156.9929       8.019674      157.3471       11.96575      156.5679       10.66928      124.8743 4.791117 124.6779 4.278738 0.1963730      6.423582 
1 1 1 2  6  36 o 57.93155 6.096048 34.70705       7.080267      35.66346       11.19354      33.75064       8.671450      58.51048 9.565413 57.35262 7.559767 1.157860       12.19210 
1 1 1 2  6  37 o 23.61233 7.233584 -0.1683990     6.343478      -0.4041009     10.15211      0.6726041E-01  7.608772      25.07656 10.89209 22.14810 9.521629 2.928452       14.46717 
1 1 1 2  6  38 o 27.69078 8.001974 4.363355       7.261631      4.425699       12.57502      4.301011       7.261631      30.32390 12.59606 25.05766 9.872468 5.266237       16.00395 
1 1 1 2  6  39 o 72.04953 5.904083 54.77749       8.147196      47.30332       13.72271      62.25166       8.791886      66.13291 10.37510 77.96616 5.638271 -11.83324      11.80817 
1 1 1 2  6  40 o 41.21663 7.620450 17.66170       7.615856      8.522675       12.99301      26.79365       7.955913      32.22941 13.01927 50.20385 7.923609 -17.97444      15.24090 
1 1 1 2  6  41 o 113.3082 4.202556 133.6848       9.578268      139.4942       16.21646      127.9464       10.19462      114.8405 7.060426 111.7759 4.560294 3.064606       8.405111 
1 1 1 2  6  42 o 89.90262 4.715331 86.36028       8.366816      83.10139       13.82190      89.54830       9.436578      87.01289 7.942441 92.79234 5.084783 -5.779457      9.430661 
1 1 1 2  6  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  6  44 o 50.10473 7.174546 33.16971       7.127024      44.52619       10.74721      21.82031       9.372816      60.69949 8.852804 39.50998 11.29267 21.18951       14.34909 
1 1 1 2  6  45 o 39.63184 7.617102 22.97509       6.357646      29.98876       9.889987      15.96142       7.991336      46.02284 10.89903 33.24084 10.64388 12.78200       15.23420 
1 1 1 2  6  46 o 49.38257 6.652249 33.68688       6.373232      34.62204       10.55593      32.75172       7.148279      46.58439 11.40586 52.18076 6.849535 -5.596367      13.30450 
1 1 1 2  7  0  o 275.1360 3.098505 757.3350       17.04535      757.3350       17.04535      757.3350       17.04535      275.1360 3.098505 275.1360 3.098505 -0.000000      0.000000 
1 1 1 2  7  1  o 255.7632 2.074111 654.3260       10.61261      641.2197       14.72871      667.3616       15.28131      253.2085 2.908416 258.3180 2.957848 -5.109451      4.148222 
1 1 1 2  7  2  o 324.4822 2.509096 1053.468       16.28731      1065.511       23.27264      1040.716       22.78381      326.3920 3.565136 322.5724 3.531580 3.819580       5.018193 
1 1 1 2  7  3  o 206.6849 1.788115 427.2673       7.389152      429.4635       10.48509      425.0002       10.42133      207.2247 2.529884 206.1451 2.527668 1.079605       3.576230 
1 1 1 2  7  4  o 362.7083 2.764334 1315.595       20.05627      1325.513       28.55769      1306.385       28.16096      364.0260 3.922480 361.3905 3.896195 2.635468       5.528669 
1 1 1 2  7  5  o 173.5149 1.615969 301.1628       5.609521      309.3100       8.069265      293.0157       7.792970      175.8622 2.294201 171.1675 2.276416 4.694717       3.231939 
1 1 1 2  7  6  o 133.8052 1.477793 179.0966       3.955286      177.6089       5.539385      180.5135       5.646361      133.2627 2.078371 134.3478 2.101397 -1.085129      2.955587 
1 1 1 2  7  7  o 255.3319 2.252657 652.1299       11.51943      661.6231       17.62628      642.7074       14.82790      257.1777 3.426868 253.4861 2.924795 3.691559       4.505314 
1 1 1 2  7  8  o 152.3335 1.639115 232.0888       5.000253      237.6147       7.566265      226.6337       6.542552      154.1339 2.454446 150.5331 2.173128 3.600769       3.278230 
1 1 1 2  7  9  o 370.7292 2.820053 1375.105       20.91350      1363.770       29.34407      1386.440       29.79748      369.2019 3.973988 372.2566 4.002277 -3.054718      5.640107 
1 1 1 2  7  10 o 347.3657 2.667606 1207.202       18.53310      1205.785       26.21272      1208.619       26.20563      347.1617 3.775289 347.5696 3.769839 -0.4079285     5.335213 
1 1 1 2  7  11 o 468.8587 3.494939 2200.451       32.79423      2274.839       47.82758      2126.772       44.88042      476.7409 5.016098 460.9766 4.867972 15.76431       6.989878 
1 1 1 2  7  12 o 482.2774 3.589814 2327.972       34.62912      2330.806       49.03195      2325.139       48.90443      482.5707 5.080287 481.9842 5.073240 0.5865173      7.179629 
1 1 1 2  7  13 o 270.7172 2.501800 733.2476       13.55268      716.2448       18.50476      750.2504       19.80831      267.5803 3.457797 273.8541 3.616582 -6.273804      5.003601 
1 1 1 2  7  14 o 96.19682 1.626882 92.59465       3.134899      90.75267       3.997793      94.36578       4.830933      95.25901 2.098381 97.13462 2.486720 -1.875610      3.253764 
1 1 1 2  7  15 o 316.6785 2.655340 1003.168       16.82573      1011.669       25.49010      994.6663       21.97617      318.0139 4.007701 315.3431 3.484486 2.670746       5.310679 
1 1 1 2  7  16 o 506.7792 3.896269 2570.263       39.48910      2568.138       62.64840      2571.680       48.08262      506.5622 6.183682 506.9962 4.741911 -0.4340515     7.792539 
1 1 1 2  7  17 o 574.9726 5.527442 3311.304       63.42060      3231.957       96.91621      3390.650       81.82619      568.0014 8.531335 581.9438 7.030420 -13.94238      11.05488 
1 1 1 2  7  18 o 184.3128 1.950903 339.7735       7.197870      342.9615       10.73304      336.5854       9.585353      185.1760 2.898066 183.4496 2.612530 1.726395       3.901807 
1 1 1 2  7  19 o 496.8583 4.790237 2471.788       47.58671      2468.246       74.17490      2475.331       59.65164      496.4348 7.470760 497.2818 5.997771 -0.8469849     9.580475 
1 1 1 2  7  20 o 311.4034 4.342092 971.2875       27.28956      1000.334       49.10279      941.5324       23.81107      316.0247 7.768822 306.7820 3.880779 9.242706       8.684184 
1 1 1 2  7  21 o 452.0214 6.932175 2049.551       62.83968      2138.107       95.57014      1960.995       81.61364      461.7239 10.34927 442.3189 9.225657 19.40500       13.86435 
1 1 1 2  7  22 o 418.6438 6.647138 1758.377       55.67014      1788.132       80.69266      1728.622       76.72533      422.1637 9.557035 415.1239 9.241257 7.039795       13.29428 
1 1 1 2  7  23 o 132.9957 3.301365 177.8214       8.834394      200.6335       13.60227      154.9384       11.27147      141.5733 4.803968 124.4181 4.529674 17.15521       6.602731 
1 1 1 2  7  24 o 559.1837 6.008658 3138.441       67.20374      3064.762       93.30310      3211.412       96.77451      552.6625 8.441236 565.7048 8.553446 -13.04230      12.01732 
1 1 1 2  7  25 o 130.3585 4.668358 170.1701       12.17120      170.1701       12.17120      ?              ?             130.3585 4.668358 ?        ?        ?              ?        
1 1 1 2  7  26 f 206.6565 3.111918 428.0466       12.85840      412.0356       18.11511      443.9868       18.24972      202.7926 4.466413 210.5203 4.334432 -7.727676      6.223837 
1 1 1 2  7  27 o 108.6192 3.227744 118.2406       7.021466      121.8537       10.44258      114.6983       9.386987      110.2530 4.735735 106.9854 4.387041 3.267578       6.455488 
1 1 1 2  7  28 o 274.7797 4.878056 0.000000       0.000000      ?              ?             757.3350       26.80782      ?        ?        274.7797 4.878056 ?              ?        
1 1 1 2  7  29 o 350.8352 4.127878 1236.957       28.96151      1236.248       41.35233      1238.374       40.56595      350.6661 5.896255 351.0044 5.778553 -0.3382568     8.255755 
1 1 1 2  7  30 o 223.4014 3.187370 501.1588       14.23988      499.8128       20.56635      502.5757       19.70204      223.0719 4.609805 223.7308 4.403069 -0.6589355     6.374740 
1 1 1 2  7  31 o 112.6996 3.292364 127.6630       7.424574      128.8674       11.27147      126.4586       9.670367      113.1902 4.978997 112.2090 4.309087 0.9811478      6.584728 
1 1 1 2  7  32 o 140.2305 3.911739 198.3665       11.00934      202.4047       18.74563      194.3992       11.55485      141.3785 6.629591 139.0825 4.153954 2.296005       7.823478 
1 1 1 2  7  33 o 118.4579 4.644094 142.1863       11.02351      148.0664       16.44317      136.3061       14.67912      120.8538 6.802919 116.0621 6.323822 4.791641       9.288187 
1 1 1 2  7  34 o 24.48727 7.586583 -2.384649      7.233293      2.450535       10.93141      -7.219123      9.479085      28.09787 11.71225 20.87667 9.646150 7.221203       15.17317 
1 1 1 2  7  35 o 133.9332 4.741175 182.7806       12.74505      195.3910       19.36199      170.1701       16.57777      138.4573 6.992045 129.4092 6.405176 9.048080       9.482350 
1 1 1 2  7  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  37 o 115.8921 5.434171 138.7149       12.63170      145.5160       19.22738      131.9137       16.38649      118.5298 8.110777 113.2544 7.234373 5.275452       10.86834 
1 1 1 2  7  38 o 169.6362 4.046602 293.9366       13.70146      297.1955       16.73363      290.6778       21.69279      171.0571 4.891240 168.2153 6.447925 2.841827       8.093204 
1 1 1 2  7  39 o 107.6011 4.523635 119.5867       9.691620      122.6330       11.93033      116.5403       15.27422      109.4412 5.450565 105.7609 7.221110 3.680313       9.047270 
1 1 1 2  7  40 o 126.7016 4.130757 166.1319       10.30089      182.6389       12.96467      149.5542       16.01810      133.6475 4.850321 119.7556 6.687825 13.89188       8.261515 
1 1 1 2  7  41 o 55.75969 5.483790 33.49560       6.103312      38.66730       9.032760      28.32390       8.210957      60.20903 7.501167 51.31034 8.001269 8.898697       10.96758 
1 1 1 2  7  42 o 86.50108 4.215571 78.92152       7.247461      69.39993       10.29380      88.48563       10.19462      80.96372 6.357048 92.03844 5.538241 -11.07471      8.431143 
1 1 1 2  7  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  7  44 o 17.68666 5.757123 -2.230206      4.700578      -1.456577      7.353730      -3.003835      5.858188      19.10214 8.699501 16.27119 7.542981 2.830946       11.51425 
1 1 1 2  7  45 o 21.59194 6.331522 4.184116       4.581558      2.026172       6.748003      6.342769       6.198953      19.96473 8.774774 23.21916 9.129951 -3.254435      12.66304 
1 1 1 2  7  46 o 36.15381 6.632925 19.17071       4.934367      15.63553       7.066806      22.69880       6.888985      31.63093 9.997219 40.67668 8.719999 -9.045750      13.26585 
1 1 1 2  8  0  o 540.9420 5.665033 2928.031       61.27399      2928.031       61.27399      2928.031       61.27399      540.9420 5.665033 540.9420 5.665033 -0.000000      0.000000 
1 1 1 2  8  1  f 359.9987 2.769757 1296.467       19.94292      1274.505       27.77131      1318.429       28.63562      356.9500 3.890084 363.0473 3.943786 -6.097321      5.539513 
1 1 1 2  8  2  o 806.2731 5.879211 6509.964       94.79085      6509.255       134.1099      6510.672       134.0391      806.2289 8.317113 806.3173 8.311807 -0.8843994E-01 11.75842 
1 1 1 2  8  3  o 354.0520 2.733238 1253.960       19.35490      1246.875       27.20455      1261.044       27.53752      353.0523 3.852765 355.0518 3.877958 -1.999512      5.466476 
1 1 1 2  8  4  o 87.66707 1.567063 76.93786       2.746668      81.68449       3.960245      72.19124       3.807928      90.37405 2.191031 84.96009 2.241010 5.413956       3.134125 
1 1 1 2  8  5  o 296.7962 2.361951 881.3140       14.02734      905.4014       20.31840      857.2267       19.34073      300.8519 3.376811 292.7406 3.303391 8.111328       4.723901 
1 1 1 2  8  6  o 190.1059 1.754325 361.5229       6.670782      366.9780       9.507423      355.9970       9.358648      191.5497 2.481713 188.6620 2.480268 2.887604       3.508650 
1 1 1 2  8  7  o 115.5233 1.543325 133.5432       3.567763      127.5213       4.894693      139.5650       5.192243      112.9174 2.167378 118.1291 2.197698 -5.211708      3.086649 
1 1 1 2  8  8  o 168.2824 1.664058 283.2390       5.598895      282.6014       7.892153      283.8766       7.948828      168.0930 2.347555 168.4717 2.359099 -0.3786621     3.328117 
1 1 1 2  8  9  o 108.3706 1.536284 117.4613       3.330432      116.7529       4.628315      118.1698       4.789134      108.0440 2.141867 108.6971 2.202972 -0.6531601     3.072569 
1 1 1 2  8  10 o 473.0093 3.545994 2239.416       33.54519      2216.746       46.97035      2262.087       47.91259      470.6171 4.990294 475.4015 5.039171 -4.784454      7.091987 
1 1 1 2  8  11 o 740.8162 5.417979 5499.711       80.33842      5406.196       111.6520      5593.227       115.4068      734.5296 7.600239 747.1028 7.723623 -12.57318      10.83596 
1 1 1 2  8  12 o 199.6342 1.976763 398.6458       7.899237      394.3242       10.06710      402.9674       12.17829      198.5563 2.535074 200.7120 3.033771 -2.155685      3.953526 
1 1 1 2  8  13 o 442.2963 3.330673 1958.161       29.47868      2014.837       42.79757      1900.776       40.54470      448.7364 4.768676 435.8561 4.651156 12.88031       6.661345 
1 1 1 2  8  14 o 422.8396 4.149340 1789.549       35.17463      1747.042       43.64771      1832.056       55.18131      417.8505 5.222887 427.8288 6.448995 -9.978302      8.298680 
1 1 1 2  8  15 o 395.1358 3.455885 1562.845       27.32499      1613.145       39.77248      1511.836       37.48418      401.5399 4.952495 388.7318 4.821343 12.80811       6.911769 
1 1 1 2  8  16 o 216.5175 2.129704 468.9242       9.224042      475.5837       13.17012      462.2648       12.91508      218.0549 3.019908 214.9802 3.003783 3.074783       4.259408 
1 1 1 2  8  17 o 397.0270 3.881281 1577.722       30.78931      1592.600       39.24823      1562.136       47.45210      398.9695 4.918701 395.0845 6.005310 3.884918       7.762562 
1 1 1 2  8  18 o 115.7032 1.737735 133.9682       4.050219      138.6440       6.856396      129.2216       4.313763      117.7355 2.911781 113.6709 1.897480 4.064583       3.475471 
1 1 1 2  8  19 o 435.2013 4.027169 1895.817       35.12504      1919.196       58.12847      1872.438       39.46076      437.8132 6.638501 432.5894 4.560996 5.223816       8.054338 
1 1 1 2  8  20 o 348.5186 3.004723 1214.995       20.98434      1240.499       32.51794      1190.199       26.53152      352.1104 4.617577 344.9268 3.845963 7.183563       6.009447 
1 1 1 2  8  21 o 531.2075 5.624723 0.000000       0.000000      ?              ?             2824.597       59.75791      ?        ?        531.2075 5.624723 ?              ?        
1 1 1 2  8  22 o 341.6110 3.671533 1168.237       25.05794      1157.610       39.43243      1178.864       30.92392      340.0126 5.798671 343.2093 4.505111 -3.196655      7.343065 
1 1 1 2  8  23 o 209.7580 3.228821 440.4445       13.55268      448.1666       19.87207      432.7224       18.43391      211.5911 4.695866 207.9249 4.432829 3.666199       6.457642 
1 1 1 2  8  24 o 207.8883 3.180173 432.6515       13.22680      440.0194       19.39741      425.2836       17.99467      209.6523 4.626090 206.1242 4.365008 3.528122       6.360346 
1 1 1 2  8  25 o 83.36088 3.967295 69.71873       6.587893      65.82225       9.797889      73.60814       8.806056      81.01505 6.046955 85.70670 5.137320 -4.691650      7.934590 
1 1 1 2  8  26 o 236.8631 3.328393 562.2982       15.76305      556.4889       22.63503      568.1075       21.94784      235.6287 4.803114 238.0975 4.609002 -2.468781      6.656786 
1 1 1 2  8  27 o 91.25103 4.825751 84.30576       8.444746      69.81792       13.91399      98.82903       9.578268      83.22240 8.359524 99.27966 4.823883 -16.05725      9.651502 
1 1 1 2  8  28 o 182.4378 4.496875 334.8143       16.40066      318.0949       22.91842      351.6046       23.47101      177.8577 6.442908 187.0180 6.275066 -9.160324      8.993750 
1 1 1 2  8  29 o 124.0770 4.586681 155.0801       11.39190      158.9057       16.72655      151.2545       15.46550      125.5838 6.659518 122.5702 6.308833 3.013527       9.173362 
1 1 1 2  8  30 o 177.4576 4.399050 317.6698       15.60011      307.0430       22.29498      328.3674       21.82740      174.4373 6.390540 180.4779 6.047111 -6.040573      8.798100 
1 1 1 2  8  31 f 100.2195 5.056492 101.8754       10.06710      93.37395       14.86332      110.3059       13.58811      95.94140 7.746040 104.4975 6.501639 -8.556145      10.11298 
1 1 1 2  8  32 o 66.89623 5.603711 46.17689       7.573349      35.82641       9.259464      56.53445       11.97992      59.31846 7.804877 74.47401 8.043021 -15.15555      11.20742 
1 1 1 2  8  33 o 77.46474 4.265468 61.09688       6.637485      70.91602       10.18045      51.31316       8.522675      83.70975 6.080804 71.21973 5.983366 12.49002       8.530935 
1 1 1 2  8  34 o 88.45546 4.171069 79.55913       7.275800      68.80483       10.76847      90.25676       9.797889      82.34391 6.538715 94.56702 5.180394 -12.22311      8.342138 
1 1 1 2  8  35 o 68.30450 5.340851 47.74257       7.254546      44.80958       10.87473      50.66847       9.606606      66.06674 8.230113 70.54227 6.809113 -4.475533      10.68170 
1 1 1 2  8  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  8  37 o 145.7779 3.571623 215.8652       10.36465      197.5872       14.94125      234.2142       14.37449      139.4570 5.356937 152.0989 4.725376 -12.64185      7.143245 
1 1 1 2  8  38 o 70.77421 5.042186 52.32625       7.176617      62.37918       11.09435      42.27332       9.096521      77.63180 7.145496 63.91661 7.115929 13.71518       10.08437 
1 1 1 2  8  39 o 32.18076 7.659653 10.01042       6.348436      3.740625       9.486169      16.28022       8.444746      26.52469 10.97422 37.83683 10.68867 -11.31213      15.31931 
1 1 1 2  8  40 o 106.0006 3.711725 115.4776       7.870899      115.1234       11.59027      115.7610       10.64095      105.7263 5.481260 106.2748 5.006335 -0.5484772     7.423450 
1 1 1 2  8  41 o 42.94950 7.236557 21.66446       6.179117      18.68896       9.167366      24.63995       8.288886      39.40070 11.13858 46.49831 9.241384 -7.097614      14.47311 
1 1 1 2  8  42 o 51.39006 6.557138 30.33591       6.592852      34.67163       9.719957      26.00727       8.912323      55.73456 8.719867 47.04556 9.795315 8.688999       13.11428 
1 1 1 2  8  43 o 26.58648 7.401541 7.622942       5.789468      8.891070       8.728126      6.355521       7.601687      27.92424 10.86652 25.24873 10.05236 2.675505       14.80308 
1 1 1 2  8  44 o 54.97870 5.157249 34.55119       5.627233      31.27814       8.147196      37.81715       7.764632      51.82077 7.860936 58.13663 6.677917 -6.315853      10.31450 
1 1 1 2  8  45 o 22.22080 6.450210 4.907445       4.776382      1.856852       6.973290      7.955913       6.529800      19.82022 8.793283 24.62138 9.439227 -4.801161      12.90042 
1 1 1 2  8  46 o 77.38872 3.827632 68.84734       5.924782      73.32476       8.628942      64.39827       8.125941      79.92716 5.398004 74.85028 5.428131 5.076881       7.655263 
1 1 1 2  9  0  o 367.4565 4.020936 1351.018       29.54244      1351.018       29.54244      1351.018       29.54244      367.4565 4.020936 367.4565 4.020936 0.000000       0.000000 
1 1 1 2  9  1  o 414.0200 3.152765 1715.162       26.10645      1744.208       37.49835      1686.115       36.34358      417.5244 4.490559 410.5155 4.426578 7.008850       6.305530 
1 1 1 2  9  2  o 37.25961 2.950216 13.92108       2.189825      12.52543       3.103019      15.32381       3.090267      35.38194 4.385032 39.13727 3.947985 -3.755325      5.900431 
1 1 1 2  9  3  o 319.2764 2.739503 1019.462       17.49876      1013.794       22.75547      1025.838       26.59528      318.3439 3.574040 320.2090 4.152801 -1.865082      5.479006 
1 1 1 2  9  4  o 529.5946 3.944461 2806.886       41.77740      2802.635       59.02112      2811.845       59.14864      529.1604 5.576865 530.0289 5.579756 -0.8684692     7.888923 
1 1 1 2  9  5  o 177.7149 1.760262 315.9695       6.259171      323.9041       9.018591      307.9640       8.678535      179.9566 2.505768 175.4731 2.472896 4.483505       3.520524 
1 1 1 2  9  6  o 335.6576 2.641252 1127.147       17.73255      1122.188       24.98001      1132.106       25.17129      334.9194 3.729257 336.3958 3.741321 -1.476349      5.282503 
1 1 1 2  9  7  o 295.3722 2.387906 872.8126       14.10528      860.0605       19.68787      885.5648       20.21213      293.2150 3.357242 297.5294 3.396661 -4.314484      4.775812 
1 1 1 2  9  8  o 386.2380 2.971086 1492.708       22.95384      1482.081       32.24164      1503.335       32.67379      384.8639 4.188707 387.6122 4.214754 -2.748260      5.942173 
1 1 1 2  9  9  o 539.8673 4.017006 2918.821       43.40684      3022.964       63.44894      2814.679       59.24782      549.4914 5.773424 530.2432 5.586854 19.24823       8.034013 
1 1 1 2  9  10 o 456.7994 3.706306 2088.516       33.82149      2131.731       45.39759      2046.009       50.14421      461.5125 4.918349 452.0863 5.545867 9.426178       7.412611 
1 1 1 2  9  11 o 117.5234 1.941811 138.8566       4.524173      158.6224       6.348436      119.0907       6.447619      125.9329 2.520563 109.1139 2.954537 16.81903       3.883623 
1 1 1 2  9  12 o 272.8873 2.564079 745.2913       13.99901      743.1660       19.78706      746.7082       19.79414      272.5628 3.629817 273.2118 3.622491 -0.6489868     5.128159 
1 1 1 2  9  13 f 446.1432 3.872697 1991.458       34.55119      1982.248       48.71315      2001.376       49.02486      445.0723 5.472498 447.2141 5.481141 -2.141785      7.745395 
1 1 1 2  9  14 o 457.3580 4.885777 2094.184       44.71039      2036.799       61.71324      2151.568       64.70290      451.0949 6.840382 463.6210 6.977995 -12.52603      9.771553 
1 1 1 2  9  15 o 54.23500 2.284871 29.44325       2.484540      27.71463       3.287925      31.17896       3.725039      52.63889 3.123095 55.83111 3.335989 -3.192219      4.569742 
1 1 1 2  9  16 o 78.23599 1.854468 61.35192       2.889775      67.14706       4.046677      55.56387       4.125315      81.93747 2.469369 74.53451 2.767386 7.402962       3.708936 
1 1 1 2  9  17 o 215.2510 2.248955 463.5400       9.642029      480.0469       12.12869      447.1039       14.99084      219.0819 2.768073 211.4201 3.545273 7.661789       4.497909 
1 1 1 2  9  18 o 279.8010 2.313075 783.5477       12.95050      798.4252       18.61103      767.9618       18.00176      282.5215 3.293736 277.0806 3.248471 5.440948       4.626150 
1 1 1 2  9  19 o 826.8964 6.232155 6851.438       103.0089      6830.184       162.4480      6873.399       126.7420      825.3811 9.840787 828.4117 7.649701 -3.030579      12.46431 
1 1 1 2  9  20 o 248.5493 2.339449 618.3367       11.73196      649.1544       19.47534      587.5190       13.07802      254.7346 3.822672 242.3640 2.698012 12.37059       4.678899 
1 1 1 2  9  21 o 565.0699 5.005231 3199.368       56.90993      3284.382       97.62466      3114.354       58.47561      572.3503 8.528402 557.7896 5.241727 14.56073       10.01046 
1 1 1 2  9  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  23 o 116.5854 4.110050 136.3061       9.323226      126.6003       17.32165      146.0119       6.899612      112.3588 7.708182 120.8121 2.855515 -8.453232      8.220099 
1 1 1 2  9  24 o 212.2708 6.708354 451.7797       28.47976      451.7797       28.47976      ?              ?             212.2708 6.708354 ?        ?        ?              ?        
1 1 1 2  9  25 o 468.7444 7.427516 2219.580       69.63373      2228.081       98.97072      2211.078       97.97889      469.6272 10.53716 467.8616 10.47093 1.765625       14.85503 
1 1 1 2  9  26 o 120.8751 4.949778 147.0037       11.97283      156.2136       17.41375      137.7939       16.42900      124.6667 6.984120 117.0835 7.015929 7.583160       9.899556 
1 1 1 2  9  27 o 221.1559 4.090422 491.7364       18.30639      456.3847       20.29006      527.1589       30.48468      213.3353 4.755440 228.9765 6.656725 -15.64130      8.180843 
1 1 1 2  9  28 o 151.9760 3.259556 231.7346       9.889987      222.0997       14.25405      241.4404       13.72271      148.7858 4.790126 155.1664 4.421935 -6.380600      6.519112 
1 1 1 2  9  29 o 216.1794 3.309260 469.3493       14.31781      482.1723       21.11895      456.5972       19.34782      219.0973 4.819536 213.2614 4.536173 5.835861       6.618519 
1 1 1 2  9  30 o 199.6753 3.254303 400.7712       13.00717      413.8067       19.14945      387.7357       17.61211      202.8984 4.718976 196.4522 4.482544 6.446198       6.508605 
1 1 1 2  9  31 o 123.5495 4.504179 0.000000       0.000000      ?              ?             153.4507       11.12978      ?        ?        123.5495 4.504179 ?              ?        
1 1 1 2  9  32 o 168.1322 3.241239 284.5143       10.88182      275.4460       15.76305      293.5824       15.01918      165.4102 4.764837 170.8541 4.395322 -5.443939      6.482478 
1 1 1 2  9  33 o 172.6369 3.297647 300.4544       11.40607      312.7106       17.01701      288.2690       15.18921      176.0998 4.831639 169.1739 4.489228 6.925873       6.595294 
1 1 1 2  9  34 o 145.0967 3.422112 212.5355       9.911241      203.4673       14.43116      221.5329       13.58811      141.9453 5.083354 148.2481 4.582893 -6.302841      6.844224 
1 1 1 2  9  35 o 85.57161 4.811780 74.74166       8.274716      80.76351       12.71671      68.77650       10.59135      88.92223 7.150467 82.22098 6.440786 6.701256       9.623560 
1 1 1 2  9  36 o 131.7618 4.064093 176.8296       10.70471      174.7042       15.77014      179.0258       14.47367      130.8365 6.026660 132.6871 5.454060 -1.850662      8.128185 
1 1 1 2  9  37 f 80.12913 4.752137 66.19065       7.658363      74.38744       11.80281      57.97261       9.769550      85.04865 6.938856 75.20961 6.494882 9.839035       9.504274 
1 1 1 2  9  38 o 119.4106 3.823673 145.5869       9.131943      145.1618       13.65895      146.0119       12.11453      119.0827 5.735068 119.7384 5.058746 -0.6556854     7.647347 
1 1 1 2  9  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  40 f 16.12734 5.563552 -15.28839      5.982167      -21.96201      8.813140      -8.607689      8.090520      14.61487 7.298335 17.63981 8.399213 -3.024945      11.12710 
1 1 1 2  9  41 o 29.17062 7.729001 9.096521       6.116773      10.81806       9.259464      7.382068       7.998421      31.02401 11.38662 27.31723 10.45441 3.706776       15.45800 
1 1 1 2  9  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  9  44 o 33.61815 7.065061 15.41591       5.454370      21.73530       7.877984      9.103605       7.545012      40.54352 9.808024 26.69279 10.17168 13.85074       14.13012 
1 1 1 2  9  45 o 45.99825 6.025119 27.43834       5.340310      27.84924       7.715039      27.02743       7.382068      46.15878 8.676175 45.83772 8.362548 0.3210526      12.05024 
1 1 1 2  10 0  o 11.84972 7.314689 1.163986       3.319805      1.163986       3.319805      1.163986       3.319805      11.84972 7.314689 11.84972 7.314689 -0.000000      0.000000 
1 1 1 2  10 1  o 199.1800 1.895053 396.8747       7.552096      403.5341       10.81097      390.1444       10.54176      200.8600 2.691171 197.4999 2.668802 3.360153       3.790107 
1 1 1 2  10 2  o 395.8396 3.058142 1567.804       24.20780      1552.218       33.92067      1583.390       34.55828      393.8729 4.306043 397.8062 4.343607 -3.933319      6.116283 
1 1 1 2  10 3  o 314.8711 2.534806 991.8326       15.96142      997.5001       22.70588      986.1649       22.44375      315.7704 3.595315 313.9718 3.574167 1.798584       5.069611 
1 1 1 2  10 4  o 407.3758 3.132620 1660.611       25.52552      1679.031       36.46401      1642.191       35.72723      409.6340 4.450804 405.1175 4.409489 4.516510       6.265241 
1 1 1 2  10 5  o 172.9779 1.801348 299.3209       6.231542      302.7214       8.855647      295.8494       8.770633      173.9709 2.545152 171.9849 2.549827 1.986008       3.602696 
1 1 1 2  10 6  o 128.6712 1.724811 165.5652       4.439159      167.4072       6.313014      163.7941       6.241460      129.3731 2.439848 127.9694 2.438654 1.403709       3.449622 
1 1 1 2  10 7  o 248.5415 2.457821 618.1242       12.22079      602.3257       16.93908      633.8518       17.61920      245.3725 3.451708 251.7106 3.499892 -6.338120      4.915642 
1 1 1 2  10 8  o 605.7020 5.175267 3676.156       62.69090      3642.151       87.91887      3709.454       89.40662      602.9338 7.290923 608.4702 7.346836 -5.536438      10.35053 
1 1 1 2  10 9  o 193.2875 2.123887 373.7791       8.210957      380.2261       11.74613      367.2614       11.47692      194.9636 3.012390 191.6113 2.994844 3.352325       4.247774 
1 1 1 2  10 10 o 417.2304 3.679228 1742.791       30.71138      1706.660       42.59921      1778.214       44.24281      412.9496 5.157919 421.5113 5.248117 -8.561737      7.358455 
1 1 1 2  10 11 f 328.5173 2.634946 1079.681       17.31456      1093.849       24.77456      1065.511       24.19363      330.6724 3.746088 326.3622 3.706561 4.310150       5.269893 
1 1 1 2  10 12 o 362.8817 2.846848 1317.012       20.66554      1302.134       28.88358      1332.598       29.55661      360.7845 4.002885 364.9789 4.049085 -4.194336      5.693696 
1 1 1 2  10 13 o 380.8837 2.966821 1450.909       22.59961      1461.536       32.16371      1440.991       31.75989      382.2314 4.207362 379.5360 4.184042 2.695313       5.933641 
1 1 1 2  10 14 o 783.6438 5.740417 6150.070       89.97337      6231.542       128.8674      6068.598       125.6085      788.8276 8.168285 778.4600 8.067756 10.36768       11.48083 
1 1 1 2  10 15 o 416.3672 3.203836 1734.998       26.68738      1700.993       37.07328      1768.296       38.39100      412.3298 4.495586 420.4047 4.565958 -8.074890      6.407673 
1 1 1 2  10 16 o 39.41335 4.025038 15.62136       3.180948      13.38974       4.164988      17.86007       4.808971      36.57970 5.693032 42.24699 5.691495 -5.667286      8.050076 
1 1 1 2  10 17 o 317.5633 2.577588 1008.835       16.37232      1018.754       23.31515      998.9170       22.98926      319.1241 3.652991 316.0024 3.637513 3.121704       5.155177 
1 1 1 2  10 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 19 o 354.8623 3.253580 1260.336       23.08844      1270.254       32.75172      1249.709       32.56044      356.3092 4.595970 353.4155 4.606539 2.893677       6.507161 
1 1 1 2  10 20 o 133.4401 2.177089 178.1048       5.820640      174.0666       7.545012      182.2138       8.862731      131.9169 2.859759 134.9632 3.283389 -3.046249      4.354177 
1 1 1 2  10 21 o 486.2605 4.511712 2368.354       43.95235      2389.608       72.47462      2347.101       49.71206      488.3044 7.421048 484.2165 5.133248 4.087952       9.023424 
1 1 1 2  10 22 o 171.1760 2.334245 0.000000       0.000000      ?              ?             293.0865       7.991336      ?        ?        171.1760 2.334245 ?              ?        
1 1 1 2  10 23 o 185.0482 1.947255 342.6073       7.197870      338.3566       11.41316      346.7872       8.763549      183.9001 3.103087 186.1962 2.353310 -2.296143      3.894511 
1 1 1 2  10 24 o 366.0267 3.703306 1342.516       27.09828      1340.391       45.26299      1344.641       29.80457      365.5875 6.190444 366.4659 4.066485 -0.8784180     7.406612 
1 1 1 2  10 25 o 301.4268 3.454981 0.000000       0.000000      ?              ?             909.6522       20.82848      ?        ?        301.4268 3.454981 ?              ?        
1 1 1 2  10 26 o 216.5468 3.357499 470.3411       14.56577      492.5157       21.55819      448.2375       19.58161      221.6323 4.863504 211.4614 4.630068 10.17090       6.714998 
1 1 1 2  10 27 o 110.0314 3.659797 122.3496       8.083434      142.7530       12.32706      101.9462       10.44966      119.2713 5.167656 100.7915 5.183800 18.47975       7.319594 
1 1 1 2  10 28 f 156.1417 3.252255 244.6992       10.14503      238.4649       14.70037      250.8628       13.99192      154.1436 4.768401 158.1397 4.423912 -3.996048      6.504510 
1 1 1 2  10 29 o 142.2313 3.315827 203.5382       9.401155      187.0313       13.49601      220.1160       13.07802      136.4057 4.947011 148.0570 4.416550 -11.65131      6.631654 
1 1 1 2  10 30 o 139.6004 4.509010 0.000000       0.000000      ?              ?             195.8161       12.58919      ?        ?        139.6004 4.509010 ?              ?        
1 1 1 2  10 31 o 135.6107 3.335950 185.1185       9.046929      185.1893       13.24096      184.9768       12.33415      135.6190 4.881675 135.6023 4.547910 0.1670837E-01  6.671899 
1 1 1 2  10 32 o 142.4041 3.389453 204.1758       9.656199      205.9469       14.20446      202.4047       13.08510      142.9862 4.967074 141.8220 4.613214 1.164185       6.778906 
1 1 1 2  10 33 o 178.0171 3.380720 319.3701       12.04368      324.1167       17.69713      314.6943       16.33690      179.2846 4.935484 176.7497 4.621479 2.534943       6.761440 
1 1 1 2  10 34 o 73.36863 6.450247 0.000000       0.000000      ?              ?             54.71373       9.464915      ?        ?        73.36863 6.450247 ?              ?        
1 1 1 2  10 35 o 186.8597 3.853713 354.7218       14.35323      327.9423       20.59469      381.5013       19.99959      179.6545 5.731750 194.0649 5.152812 -14.41035      7.707427 
1 1 1 2  10 36 o 157.6959 5.056331 0.000000       0.000000      ?              ?             252.1380       15.94725      ?        ?        157.6959 5.056331 ?              ?        
1 1 1 2  10 37 o 165.5657 3.526069 278.5632       11.66112      265.5986       16.71238      291.5987       16.25897      161.6039 5.170785 169.5276 4.795376 -7.923691      7.052138 
1 1 1 2  10 38 o 167.0927 3.515186 284.6559       11.76738      298.3999       17.57669      270.9120       15.65678      171.0227 5.138701 163.1627 4.797904 7.859955       7.030373 
1 1 1 2  10 39 o 80.01529 4.918055 67.52254       7.885069      78.00054       11.90199      57.05162       10.34340      86.28977 6.896525 73.74081 7.013345 12.54896       9.836110 
1 1 1 2  10 40 o 203.5238 3.533193 426.2046       14.38157      430.7387       20.87807      421.6705       19.79414      204.4810 5.105138 202.5666 4.885835 1.914383       7.066386 
1 1 1 2  10 41 o 25.69364 7.419644 4.532674       6.203204      1.421154       9.195704      7.644195       8.331393      23.72601 10.33663 27.66126 10.64700 -3.935257      14.83929 
1 1 1 2  10 42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  10 43 o 29.05123 7.568933 11.10144       5.846852      10.40716       8.650196      11.79572       7.870899      28.36239 10.86691 29.74006 10.53876 -1.377670      15.13787 
1 1 1 2  10 44 o 22.07889 6.353194 1.148400       5.265922      13.06385       8.090520      -10.76847      6.745169      30.20241 10.68657 13.95538 6.873823 16.24704       12.70639 
1 1 1 2  10 45 o 17.12370 5.653630 -1.864645      4.774965      -1.467912      6.885443      -2.260670      6.617648      17.47251 8.129730 16.77489 7.858857 0.6976204      11.30726 
1 1 1 2  11 0  o 63.81837 3.375237 41.07603       4.282591      41.07603       4.282591      41.07603       4.282591      63.81837 3.375237 63.81837 3.375237 -0.000000      0.000000 
1 1 1 2  11 1  o 345.7797 2.753002 1195.867       19.03610      1195.158       26.90700      1197.283       26.94242      345.6261 3.892501 345.9332 3.894166 -0.3070984     5.506005 
1 1 1 2  11 2  f 146.0861 1.798619 213.4565       5.254587      213.6691       7.396237      213.2440       7.467082      146.1590 2.530203 146.0132 2.556989 0.1457672      3.597238 
1 1 1 2  11 3  o 404.3202 3.615701 1636.524       29.23781      1634.398       41.34525      1637.941       41.35233      404.1012 5.115705 404.5392 5.111042 -0.4379883     7.231402 
1 1 1 2  11 4  o 138.2618 2.280946 191.2820       6.333559      183.2056       7.870899      199.4292       9.925409      135.3340 2.907954 141.1897 3.514920 -5.855713      4.561892 
1 1 1 2  11 5  o 40.24466 3.731748 16.28022       2.983290      18.38432       4.205369      14.17612       4.232999      42.85892 4.906061 37.63039 5.624442 5.228531       7.463497 
1 1 1 2  11 6  o 531.7670 4.600479 2832.390       48.93277      2814.679       68.79067      2849.393       69.59830      530.1396 6.487976 533.3944 6.524094 -3.254761      9.200958 
1 1 1 2  11 7  o 321.0408 2.614408 1031.506       16.79739      1069.054       24.55494      993.9578       22.93258      326.8834 3.755917 315.1982 3.637804 11.68524       5.228817 
1 1 1 2  11 8  o 127.6231 1.812181 162.9439       4.625482      167.5488       6.611980      158.3390       6.470290      129.4269 2.554329 125.8193 2.571263 3.607651       3.624361 
1 1 1 2  11 9  o 187.0543 1.915514 349.9752       7.162447      353.1632       10.18045      346.7872       10.08835      187.9063 2.708917 186.2023 2.708976 1.703979       3.831029 
1 1 1 2  11 10 o 680.9714 5.027943 4643.901       68.50020      4567.389       95.28677      4719.706       98.40395      675.3938 7.054164 686.5491 7.166563 -11.15533      10.05589 
1 1 1 2  11 11 o 610.2119 4.539546 3727.874       55.40093      3643.567       76.65448      3811.471       80.05505      603.3453 6.352456 617.0785 6.486618 -13.73322      9.079091 
1 1 1 2  11 12 o 981.0695 7.152270 9642.029       140.3443      9790.804       201.4128      9500.339       195.5327      988.4410 10.18841 973.6980 10.04073 14.74298       14.30454 
1 1 1 2  11 13 o 381.4546 3.497867 1455.868       26.68738      1445.242       37.54795      1466.495       37.93050      380.0627 4.939704 382.8465 4.953749 -2.783813      6.995734 
1 1 1 2  11 14 o 460.9845 3.524119 2126.064       32.49669      2148.734       46.35400      2104.102       45.54636      463.4025 5.001483 458.5665 4.966168 4.836029       7.048238 
1 1 1 2  11 15 o 52.61089 3.184717 27.96259       3.367980      22.44375       4.262046      33.48852       5.217039      47.36482 4.499168 57.85697 4.508566 -10.49215      6.369433 
1 1 1 2  11 16 o 286.7260 3.126051 822.5125       17.93800      818.9703       22.14620      826.0548       28.21763      286.1245 3.870030 287.3274 4.910362 -1.202972      6.252102 
1 1 1 2  11 17 o 55.19997 3.249553 30.54844       3.612396      27.92717       4.495835      33.16262       5.656280      52.83261 4.254791 57.56733 4.912752 -4.734711      6.499106 
1 1 1 2  11 18 o 23.10147 6.180588 3.544384       4.017630      4.643901       4.833058      2.444159       6.419991      23.26289 8.256766 22.94004 9.199158 0.3228550      12.36118 
1 1 1 2  11 19 o 400.9105 3.437585 1608.894       27.53044      1638.649       36.78990      1578.431       40.96976      404.6804 4.545551 397.1406 5.158094 7.539795       6.875170 
1 1 1 2  11 20 o 276.1262 2.707108 763.0026       14.95542      782.8392       21.52985      743.1660       20.75764      279.7154 3.848529 272.5370 3.808224 7.178375       5.414217 
1 1 1 2  11 21 o 205.0711 2.137485 420.7495       8.756464      428.6841       11.87365      412.8149       12.87965      207.0091 2.867906 203.1331 3.170249 3.875961       4.274970 
1 1 1 2  11 22 o 111.1323 1.804840 123.5540       4.008420      125.9627       5.476333      121.1453       5.854646      112.2172 2.440059 110.0474 2.660055 2.169754       3.609679 
1 1 1 2  11 23 o 100.8494 1.960329 101.9462       3.977248      110.8019       6.164948      93.09056       5.027883      105.2352 2.929129 96.46366 2.606102 8.771523       3.920658 
1 1 1 2  11 24 o 198.5987 2.013448 394.6785       7.991336      392.4823       13.04260      396.9455       9.231127      198.0121 3.293384 199.1853 2.317220 -1.173233      4.026896 
1 1 1 2  11 25 o 130.3104 1.732123 170.0284       4.570222      180.0884       7.835476      160.0392       4.712621      134.1371 2.920697 126.4836 1.862937 7.653496       3.464247 
1 1 1 2  11 26 o 131.3744 2.719276 173.2873       7.367898      189.3692       13.70854      157.2054       5.430991      137.4031 4.988441 125.3457 2.166405 12.05737       5.438552 
1 1 1 2  11 27 o 174.8582 2.923214 0.000000       0.000000      ?              ?             306.1220       10.22296      ?        ?        174.8582 2.923214 ?              ?        
1 1 1 2  11 28 f 241.9178 3.507505 587.8733       16.97450      590.3528       24.56911      585.4645       23.42141      242.3967 5.067955 241.4390 4.850380 0.9576721      7.015009 
1 1 1 2  11 29 o 185.9624 3.328921 347.6373       12.36957      335.8770       17.80339      359.4684       17.17287      182.7739 4.870331 189.1509 4.539463 -6.376984      6.657841 
1 1 1 2  11 30 o 213.7212 3.444687 459.5018       14.72163      455.2511       21.22522      463.6817       20.40341      212.7102 4.989233 214.7322 4.750897 -2.021988      6.889374 
1 1 1 2  11 31 o 147.9789 3.424572 220.6119       10.11669      211.1895       14.60828      230.0343       14.00609      144.7735 5.045218 151.1844 4.632122 -6.410934      6.849144 
1 1 1 2  11 32 o 72.02482 5.093995 53.01345       7.254546      45.90767       10.55593      60.11922       9.960832      67.05611 7.870969 76.99353 6.468616 -9.937424      10.18799 
1 1 1 2  11 33 o 49.61376 7.148311 26.09937       6.937868      21.38107       10.39299      30.81765       9.188620      44.38534 11.58507 54.84219 8.377328 -10.45684      14.29662 
1 1 1 2  11 34 o 71.36897 5.440924 52.13497       7.743378      50.39217       11.63986      53.87776       10.21588      70.04054 8.309376 72.69740 7.026300 -2.656853      10.88185 
1 1 1 2  11 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  11 36 o 79.34846 5.255421 64.89419       8.352647      66.07730       13.02843      63.71815       10.44966      79.82729 8.160386 78.86965 6.624642 0.9576340      10.51084 
1 1 1 2  11 37 o 136.5199 3.680874 190.0776       10.02459      176.6170       14.29656      203.4673       14.05568      131.5817 5.432578 141.4581 4.968143 -9.876434      7.361748 
1 1 1 2  11 38 o 32.79433 7.836830 10.57010       6.813181      20.47426       10.51342      0.6757213      8.671450      42.02089 11.94408 23.56777 10.14901 18.45312       15.67366 
1 1 1 2  11 39 o 86.49852 4.659186 78.00054       8.012589      72.47462       11.78864      83.59731       10.86765      83.13823 7.089782 89.85882 6.047070 -6.720589      9.318373 
1 1 1 2  11 40 o 62.32491 5.832817 42.31583       7.162447      35.60678       10.33631      49.02486       9.911241      56.83584 9.093128 67.81396 7.307670 -10.97812      11.66563 
1 1 1 2  11 41 o 36.40289 8.210050 16.04643       6.879067      14.11236       10.44966      17.97342       8.947746      34.36692 12.14662 38.43886 11.04895 -4.071938      16.42010 
1 1 1 2  11 42 o 68.37901 5.877697 56.95952       8.033843      64.36993       11.86657      49.54203       10.82514      73.13226 8.113087 63.62577 8.506886 9.506496       11.75539 
1 1 1 2  11 43 o 64.90509 4.893051 47.24665       6.354813      48.24557       9.344479      46.24773       8.614774      65.35475 7.149043 64.45542 6.682738 0.8993301      9.786102 
1 1 1 2  11 44 o 68.14130 4.615751 53.38893       6.271215      58.99986       9.039845      47.78507       8.699788      72.06443 6.272058 64.21816 6.773620 7.846268       9.231502 
1 1 1 2  11 45 o 46.44012 6.067907 29.21655       5.432408      22.73422       7.658363      35.69889       7.700871      39.17292 9.791791 53.70731 7.169295 -14.53439      12.13581 
1 1 1 2  12 0  o 157.4525 3.700851 248.3832       11.63986      248.3832       11.63986      248.3832       11.63986      157.4525 3.700851 157.4525 3.700851 0.000000       0.000000 
1 1 1 2  12 1  o 112.3382 2.647036 126.3170       5.946744      121.0036       8.288886      131.6304       8.529759      109.9741 3.768564 114.7023 3.718216 -4.728233      5.294073 
1 1 1 2  12 2  o 400.5578 3.618282 1606.060       28.98985      1579.848       40.40301      1632.273       41.58612      397.2911 5.084811 403.8244 5.149035 -6.533325      7.236564 
1 1 1 2  12 3  o 252.8587 2.425591 639.7319       12.24913      654.8928       16.52110      624.5711       18.09386      255.8614 3.228524 249.8561 3.620857 6.005356       4.851182 
1 1 1 2  12 4  o 157.8920 1.891725 249.5876       5.974374      263.3315       8.685618      235.7727       8.210957      162.2544 2.676543 153.5296 2.674063 8.724854       3.783450 
1 1 1 2  12 5  o 309.9173 2.573199 961.3691       15.95433      979.7889       22.93967      942.2409       22.17454      312.9438 3.665143 306.8908 3.612774 6.052979       5.146398 
1 1 1 2  12 6  o 217.0009 2.084971 471.1913       9.054014      455.5345       12.49000      486.7772       13.10636      213.4030 2.926390 220.5988 2.970633 -7.195801      4.169942 
1 1 1 2  12 7  o 248.5619 2.230533 618.0533       11.08727      621.5247       15.75597      614.5111       15.60719      249.2670 3.160460 247.8568 3.148429 1.410172       4.461067 
1 1 1 2  12 8  o 219.9032 2.092392 483.7309       9.202788      487.4857       13.06385      479.9052       12.96467      220.7648 2.958771 219.0416 2.959407 1.723190       4.184784 
1 1 1 2  12 9  o 172.1950 1.940080 296.7704       6.685660      282.5306       9.131943      310.9395       9.769550      168.0715 2.716684 176.3185 2.770427 -8.246948      3.880160 
1 1 1 2  12 10 o 422.9033 3.544291 1789.549       30.01710      1761.920       38.70980      1817.179       45.87934      419.6560 4.612088 426.1506 5.382995 -6.494659      7.088582 
1 1 1 2  12 11 o 344.5553 2.996727 1188.074       20.63012      1165.403       30.47051      1210.036       27.82090      341.3112 4.463743 347.7994 3.999562 -6.488159      5.993454 
1 1 1 2  12 12 o 86.07571 2.433074 74.17490       4.198994      69.44953       5.554970      78.92152       6.298136      83.32607 3.333273 88.82535 3.545236 -5.499283      4.866149 
1 1 1 2  12 13 o 723.2844 10.73524 0.000000       0.000000      ?              ?             5246.085       155.2926      ?        ?        723.2844 10.73524 ?              ?        
1 1 1 2  12 14 o 582.7751 5.034830 3399.860       58.70232      3331.849       81.25941      3468.580       84.73083      576.9225 7.042489 588.6277 7.197319 -11.70520      10.06966 
1 1 1 2  12 15 o 604.7803 5.214264 3662.696       63.05929      3674.031       89.40662      3650.652       88.98154      605.7448 7.379891 603.8157 7.368269 1.929077       10.42853 
1 1 1 2  12 16 o 578.7366 4.348438 3353.102       50.34967      3397.026       72.04955      3309.178       70.31384      582.5237 6.184258 574.9493 6.114786 7.574402       8.696877 
1 1 1 2  12 17 o 405.5466 3.226941 1645.734       26.17729      1613.853       36.35775      1677.614       37.67547      401.6200 4.526386 409.4732 4.600480 -7.853180      6.453882 
1 1 1 2  12 18 o 445.2557 3.772855 1984.373       33.55228      2032.548       45.14255      1936.199       49.64830      450.6821 5.008248 439.8294 5.644041 10.85266       7.545710 
1 1 1 2  12 19 o 282.8813 3.228366 801.2590       18.44808      763.7111       19.19196      838.8069       31.51194      276.2938 3.473107 289.4688 5.443062 -13.17502      6.456732 
1 1 1 2  12 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 21 o 276.9111 2.410558 767.2533       13.34723      777.8801       19.04318      756.6265       18.71730      278.8286 3.414855 274.9936 3.403224 3.834991       4.821117 
1 1 1 2  12 22 f 427.6072 3.325358 1830.639       28.43725      1837.724       40.35341      1823.555       40.08420      428.4339 4.709410 426.7805 4.696115 1.653381       6.650717 
1 1 1 2  12 23 o 241.6568 2.207560 584.6144       10.66928      602.2549       15.41591      566.9031       14.76414      245.3098 3.142131 238.0037 3.101661 7.306122       4.415120 
1 1 1 2  12 24 o 198.7271 2.789750 395.8829       10.90307      372.2206       18.97942      419.5451       10.74013      192.6967 4.924688 204.7576 2.622645 -12.06093      5.579500 
1 1 1 2  12 25 o 115.1576 1.718460 132.8347       4.002753      141.1944       6.709038      124.4750       4.369022      118.7713 2.824352 111.5440 1.958431 7.227310       3.436919 
1 1 1 2  12 26 o 445.0690 3.566713 1987.207       31.79531      2009.878       51.12896      1965.245       37.81007      447.3574 5.714554 442.7806 4.269617 4.576752       7.133426 
1 1 1 2  12 27 o 55.98025 5.400271 32.48251       5.263797      25.63887       10.04585      39.32616       3.152610      49.28158 10.50367 62.67892 2.514889 -13.39734      10.80054 
1 1 1 2  12 28 o 197.7470 2.969748 392.9782       11.59027      365.7737       18.87316      420.1119       13.46058      190.7608 4.946813 204.7333 3.287346 -13.97250      5.939495 
1 1 1 2  12 29 o 129.8977 3.576934 170.0284       9.252379      156.1428       13.36848      183.9141       12.79464      124.5359 5.367321 135.2596 4.729661 -10.72366      7.153868 
1 1 1 2  12 30 o 261.4559 3.722895 689.3944       19.46117      660.1354       27.23289      718.3701       27.81382      255.9092 5.320810 267.0026 5.208529 -11.09340      7.445790 
1 1 1 2  12 31 o 251.0435 3.682206 635.4104       18.50476      657.5141       27.23997      613.3775       25.05794      255.3554 5.333737 246.7317 5.077973 8.623688       7.364412 
1 1 1 2  12 32 o 111.2053 3.897650 125.0417       8.685618      131.4886       12.94341      118.6657       11.58319      114.0218 5.675850 108.3888 5.343352 5.633041       7.795300 
1 1 1 2  12 33 o 73.31313 5.339175 56.25815       7.757547      73.39561       11.91616      39.13488       9.939578      84.85104 7.021811 61.77521 8.044957 23.07583       10.67835 
1 1 1 2  12 34 o 164.7705 3.868125 275.1627       12.75922      281.5387       18.97942      268.7158       17.05952      166.6000 5.696107 162.9410 5.234877 3.658997       7.736250 
1 1 1 2  12 35 o 22.53748 7.451933 -9.280719      8.274716      -5.987126      13.00717      -12.57502      10.23004      25.52806 11.61099 19.54689 9.343987 5.981174       14.90387 
1 1 1 2  12 36 o 61.52243 6.343014 39.74414       7.828392      42.74798       11.85948      36.74031       10.23004      63.74371 9.302474 59.30116 8.625501 4.442543       12.68603 
1 1 1 2  12 37 o 19.74115 6.556499 -8.182618      6.590019      -7.821308      10.18754      -8.551013      8.359732      21.14990 9.859333 18.33239 8.645477 2.817514       13.11300 
1 1 1 2  12 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  12 39 o 108.4025 4.088501 121.9954       8.876901      128.3006       13.17012      115.6902       11.90907      111.1067 5.926791 105.6984 5.633518 5.408295       8.177003 
1 1 1 2  12 40 o 77.88783 5.013972 65.22716       7.814223      67.05496       11.62569      63.40643       10.45675      78.74998 7.381394 77.02567 6.787834 1.724319       10.02794 
1 1 1 2  12 41 o 139.3672 4.238069 212.2522       11.79572      200.7752       16.73363      223.7291       16.62736      135.2090 6.188063 143.5256 5.792475 -8.316605      8.476137 
1 1 1 2  12 42 o 48.59541 7.502494 30.24380       7.105771      27.08411       10.27255      33.40350       9.812057      45.12443 11.37757 52.06638 9.782671 -6.941952      15.00499 
1 1 1 2  12 43 o 41.99515 7.052178 23.28681       5.857479      21.14729       8.380984      25.43342       8.182618      39.43321 10.45490 44.55708 9.467201 -5.123867      14.10436 
1 1 1 2  12 44 o 34.87183 7.347602 18.13637       5.520257      16.62028       7.707955      19.65245       7.906322      33.24497 10.42952 36.49869 10.35249 -3.253719      14.69520 
1 1 1 2  13 0  o 11.08701 7.356695 -0.7509589     4.126731      -0.7509589     4.126731      -0.7509589     4.126731      11.08701 7.356695 11.08701 7.356695 -0.000000      0.000000 
1 1 1 2  13 1  o 458.4138 3.814248 2104.102       34.91959      2053.802       51.72406      2153.693       46.93493      452.9449 5.709753 463.8828 5.058921 -10.93793      7.628496 
1 1 1 2  13 2  o 488.0667 4.305706 2385.357       42.03244      2364.812       58.89360      2405.194       59.98461      486.0036 6.058967 490.1297 6.119259 -4.126129      8.611412 
1 1 1 2  13 3  o 207.2995 2.418388 430.0302       10.03168      443.4908       14.39574      416.4988       13.96358      210.5535 3.418547 204.0454 3.421685 6.508057       4.836775 
1 1 1 2  13 4  o 511.2198 4.494586 2616.313       45.95727      2597.184       64.51162      2636.149       65.46803      509.3189 6.333126 513.1207 6.379398 -3.801788      8.989172 
1 1 1 2  13 5  o 439.3087 3.945735 1931.948       34.67871      1881.648       47.81341      1982.248       50.25048      433.5934 5.513623 445.0240 5.645817 -11.43066      7.891469 
1 1 1 2  13 6  o 179.6676 2.182957 322.9123       7.856731      317.0322       10.08127      328.7924       12.05077      178.0352 2.831257 181.3000 3.323431 -3.264816      4.365915 
1 1 1 2  13 7  o 495.8505 3.790292 2460.453       37.59045      2485.957       53.69356      2434.949       52.62380      498.4188 5.386390 493.2822 5.334046 5.136597       7.580584 
1 1 1 2  13 8  o 480.2330 4.240840 2308.136       40.73598      2284.049       56.91701      2332.223       58.29142      477.7296 5.957032 482.7363 6.037604 -5.006683      8.481680 
1 1 1 2  13 9  o 308.9573 2.994067 954.9930       18.51893      913.9028       25.04377      996.7917       27.29665      302.2551 4.142820 315.6596 4.323748 -13.40451      5.988134 
1 1 1 2  13 10 o 167.3851 2.303883 280.2635       7.707955      288.4815       10.87473      272.1163       10.93141      169.8295 3.201663 164.9408 3.313738 4.888702       4.607766 
1 1 1 2  13 11 o 181.1523 2.308802 328.3674       8.373900      317.5989       11.37774      339.0650       12.28455      178.1917 3.192556 184.1130 3.336144 -5.921387      4.617605 
1 1 1 2  13 12 o 158.6323 2.157783 251.7129       6.839394      255.6803       9.054014      247.7456       10.25130      159.8849 2.831416 157.3797 3.256869 2.505264       4.315566 
1 1 1 2  13 13 o 431.3278 3.377854 1861.811       29.14571      1829.223       40.53761      1893.692       41.88367      427.5945 4.740193 435.0612 4.813538 -7.466675      6.755707 
1 1 1 2  13 14 o 198.3643 2.131496 393.5450       8.458915      397.3706       11.97283      389.7902       11.94450      199.3197 3.003426 197.4090 3.025317 1.910645       4.262993 
1 1 1 2  13 15 o 372.0992 3.980780 1386.440       29.78331      1328.347       35.62804      1444.533       47.73548      364.3413 4.889378 379.8572 6.283345 -15.51593      7.961560 
1 1 1 2  13 16 o 258.0510 2.461437 666.3698       12.70963      690.4571       18.34182      642.2115       17.59086      262.7234 3.490709 253.3787 3.471258 9.344650       4.922873 
1 1 1 2  13 17 o 411.6045 3.325513 1695.325       27.38166      1665.570       38.05095      1725.080       39.38284      407.9942 4.663172 415.2148 4.742465 -7.220551      6.651026 
1 1 1 2  13 18 o 215.7726 2.506696 465.8071       10.83223      458.7934       14.05568      472.8207       16.47859      214.1548 3.281665 217.3904 3.790091 -3.235672      5.013393 
1 1 1 2  13 19 o 752.3288 5.581633 5673.990       83.95154      5678.241       118.9491      5670.448       118.5948      752.5849 7.902700 752.0727 7.884532 0.5122070      11.16327 
1 1 1 2  13 20 o 482.2150 3.717006 2328.681       35.84766      2341.433       50.94477      2315.220       50.44885      483.5710 5.267559 480.8591 5.245700 2.711884       7.434012 
1 1 1 2  13 21 o 244.2046 2.524620 596.7997       12.35540      608.7018       19.24864      584.8978       15.49384      246.6248 3.902413 241.7845 3.204061 4.840317       5.049241 
1 1 1 2  13 22 o 207.7677 2.098382 431.9431       8.721042      431.8014       12.19954      432.0847       12.46167      207.7349 2.936323 207.8004 2.998471 -0.6544495E-01 4.196763 
1 1 1 2  13 23 o 160.7843 2.111965 258.8683       6.801846      247.3205       9.103605      270.4160       10.10961      157.2005 2.895540 164.3681 3.075294 -7.167618      4.223930 
1 1 1 2  13 24 o 72.38313 2.258183 52.53878       3.251085      56.93119       4.436325      48.15347       4.753712      75.41755 2.941176 69.34872 3.427397 6.068825       4.516366 
1 1 1 2  13 25 o 232.0630 2.400543 539.4152       11.17229      524.3961       13.82190      554.4344       17.56252      228.8665 3.019641 235.2594 3.732586 -6.392960      4.801086 
1 1 1 2  13 26 o 59.27121 2.205744 35.23839       2.648193      38.08637       4.380357      32.39042       2.976206      61.65797 3.552142 56.88446 2.616010 4.773510       4.411488 
1 1 1 2  13 27 o 139.3306 2.075566 194.6117       5.793010      182.2138       7.792970      207.0804       8.572267      134.8797 2.888860 143.7816 2.981003 -8.901855      4.151131 
1 1 1 2  13 28 o 109.3436 1.678216 119.8700       3.700243      128.4423       5.915572      111.2978       4.445535      113.2435 2.611882 105.4438 2.108011 7.799652       3.356433 
1 1 1 2  13 29 o 84.19186 3.466231 71.34109       5.812847      70.98687       11.07310      71.62447       3.551468      83.79893 6.606947 84.58479 2.099355 -0.7858582     6.932463 
1 1 1 2  13 30 o 101.4039 4.094015 103.8590       8.303054      103.3631       12.40499      104.3549       11.03059      101.1000 6.135009 101.7079 5.422685 -0.6078415     8.188030 
1 1 1 2  13 31 o 86.73041 4.507236 76.30025       7.842561      80.55096       11.86657      72.04955       10.25130      89.09528 6.659482 84.36554 6.075524 4.729744       9.014471 
1 1 1 2  13 32 o 130.7633 3.695107 172.5788       9.670367      175.7669       14.36740      169.4617       12.95050      131.9050 5.446117 129.6215 4.995504 2.283478       7.390213 
1 1 1 2  13 33 o 62.19313 6.256363 39.97085       7.800055      44.13654       11.66112      35.81224       10.35756      65.42640 8.911630 58.95985 8.783574 6.466545       12.51273 
1 1 1 2  13 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 35 o 201.5051 5.410818 412.5315       21.80614      412.5315       21.80614      ?              ?             201.5051 5.410818 ?        ?        ?              ?        
1 1 1 2  13 36 f 36.90205 8.398658 14.27530       7.339560      9.783719       11.11561      18.76689       9.585353      32.87760 12.39928 40.92650 11.33171 -8.048897      16.79732 
1 1 1 2  13 37 o 95.40227 4.611930 94.36578       8.699788      83.73900       12.90799      104.9926       11.66820      89.67344 7.197221 101.1311 5.768849 -11.45766      9.223861 
1 1 1 2  13 38 o 77.16733 5.075008 62.53504       7.842561      64.55412       11.71071      60.52304       10.43549      78.25174 7.482714 76.08291 6.857975 2.168831       10.15002 
1 1 1 2  13 39 o 70.16527 5.567550 53.12680       7.630026      43.39267       11.20062      62.85385       10.37882      63.04776 8.882648 77.28278 6.714833 -14.23502      11.13510 
1 1 1 2  13 40 o 50.77933 7.400311 31.30648       7.516674      41.55778       11.67529      21.04810       9.472000      60.27419 9.685145 41.28447 11.19180 18.98972       14.80062 
1 1 1 2  13 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  13 42 o 64.50791 5.537869 48.53603       7.119940      45.45426       10.19462      51.61780       9.946663      61.98834 8.223015 67.02748 7.419839 -5.039143      11.07574 
1 1 1 2  13 43 o 95.02495 4.033187 99.89171       7.630026      88.76900       10.68345      111.0144       10.90307      89.27160 5.983679 100.7783 5.409435 -11.50670      8.066375 
1 1 1 2  13 44 f 23.73469 6.922497 7.367898       5.319056      7.870899       7.715039      6.865606       7.325392      24.17108 9.935783 23.29831 9.641788 0.8727684      13.84499 
1 1 1 2  14 0  o 137.8981 2.897833 190.4318       7.984251      190.4318       7.984251      190.4318       7.984251      137.8981 2.897833 137.8981 2.897833 -0.000000      0.000000 
1 1 1 2  14 1  o 383.6337 3.080366 1472.871       23.63395      1459.411       33.14846      1485.623       33.70105      381.9272 4.339632 385.3403 4.372895 -3.413147      6.160731 
1 1 1 2  14 2  o 247.1960 2.306676 611.2522       11.40607      619.0452       16.26605      603.4592       15.98976      248.7717 3.269274 245.6203 3.254975 3.151382       4.613351 
1 1 1 2  14 3  o 342.1375 2.831353 1171.071       19.37616      1180.281       27.52335      1161.861       27.27539      343.4828 4.006512 340.7922 4.001763 2.690613       5.662706 
1 1 1 2  14 4  o 411.9460 3.756114 1698.159       30.94518      1706.660       43.83900      1689.658       43.69022      412.9774 5.307675 410.9147 5.316216 2.062744       7.512228 
1 1 1 2  14 5  o 501.3602 4.964028 2517.129       49.89626      2573.805       78.42561      2459.745       61.71324      506.9811 7.734569 495.7392 6.224365 11.24194       9.928056 
1 1 1 2  14 6  o 338.0235 3.960326 1143.441       26.77239      1161.861       38.11471      1125.021       37.61171      340.7466 5.592823 335.3004 5.608659 5.446228       7.920652 
1 1 1 2  14 7  o 429.7628 4.767197 1849.059       40.97685      1833.473       57.23582      1863.937       58.65981      427.9956 6.686496 431.5300 6.796724 -3.534393      9.534394 
1 1 1 2  14 8  o 144.8413 2.426246 209.8434       7.029259      208.3557       9.812057      211.3312       10.06710      144.3282 3.399216 145.3545 3.462948 -1.026260      4.852493 
1 1 1 2  14 9  f 90.59914 2.838467 82.10956       5.137692      85.43929       7.176617      78.85069       7.353730      92.41761 3.882710 88.78068 4.141515 3.636932       5.676934 
1 1 1 2  14 10 o 263.1412 2.442751 692.8658       12.85840      674.2335       17.67587      711.2856       18.68896      259.6232 3.404140 266.6592 3.504278 -7.036011      4.885503 
1 1 1 2  14 11 o 490.9514 3.786530 2412.278       37.17955      2438.491       53.11263      2385.357       52.04995      493.6539 5.379542 488.2488 5.330269 5.405060       7.573061 
1 1 1 2  14 12 o 271.9185 2.901518 740.3321       15.79847      690.3863       21.28897      790.6322       23.35765      262.7065 4.051857 281.1305 4.154237 -18.42407      5.803036 
1 1 1 2  14 13 o 501.8920 3.864160 2521.380       38.78773      2555.385       55.49303      2486.666       54.21782      505.3105 5.490983 498.4735 5.438385 6.837036       7.728320 
1 1 1 2  14 14 o 106.2000 2.765498 112.8564       5.904237      107.7555       7.233293      118.0281       9.330310      103.7875 3.484664 108.6124 4.295233 -4.824852      5.530995 
1 1 1 2  14 15 o 280.9177 2.843519 789.2153       16.00393      772.9209       20.33257      806.2181       24.72497      277.9659 3.657384 283.8694 4.354990 -5.903473      5.687038 
1 1 1 2  14 16 o 268.0952 2.873221 719.0786       15.39466      723.3293       19.87916      714.8279       23.52060      268.8980 3.696413 267.2924 4.399787 1.605530       5.746442 
1 1 1 2  14 17 o 157.0101 2.454239 246.7538       7.693786      256.3887       10.72596      237.0480       11.04476      160.0906 3.349966 153.9296 3.587602 6.160950       4.908478 
1 1 1 2  14 18 o 231.2729 2.345898 535.3062       10.85348      553.9384       15.59302      516.6031       15.09711      235.3071 3.313334 227.2387 3.321861 8.068420       4.691796 
1 1 1 2  14 19 o 105.3413 2.390489 111.0852       5.030007      114.2733       6.896070      107.8264       7.325392      106.8730 3.226293 103.8096 3.528283 3.063362       4.780978 
1 1 1 2  14 20 o 307.6608 2.645513 947.2001       16.28022      944.3662       22.91133      950.0338       23.13095      307.2012 3.729043 308.1203 3.753558 -0.9191284     5.291027 
1 1 1 2  14 21 o 32.92943 5.489743 11.38482       3.580515      9.649114       4.610604      13.12053       5.479167      30.40880 7.595395 35.45005 7.928374 -5.041246      10.97949 
1 1 1 2  14 22 o 148.9384 2.212771 222.2413       6.633234      208.5682       8.118857      235.9144       10.49217      144.3655 2.811910 153.5112 3.417395 -9.145706      4.425542 
1 1 1 2  14 23 o 107.5561 2.355086 115.9027       5.048427      120.7202       6.601354      111.0144       7.637110      109.8210 3.005505 105.2912 3.626661 4.529831       4.710173 
1 1 1 2  14 24 o 286.4397 2.501677 821.8041       14.33198      804.0928       19.94292      839.5154       20.59469      283.3550 3.519070 289.5244 3.556642 -6.169434      5.003354 
1 1 1 2  14 25 o 142.0282 1.909964 202.1921       5.421782      216.9988       7.792970      187.3855       7.537927      147.2384 2.646379 136.8179 2.754729 10.42044       3.819928 
1 1 1 2  14 26 o 209.6301 2.065315 440.0903       8.657280      441.4363       12.22079      438.7442       12.27038      209.9518 2.910381 209.3084 2.931173 0.6433563      4.130629 
1 1 1 2  14 27 f 204.0705 2.202332 417.6323       9.068183      441.1529       14.87749      394.1826       10.36465      209.7485 3.546506 198.3925 2.612157 11.35599       4.404665 
1 1 1 2  14 28 o 102.9931 1.820660 106.4803       3.817138      117.2488       6.427783      95.78268       4.118230      108.1687 2.971184 97.81744 2.105059 10.35129       3.641320 
1 1 1 2  14 29 o 19.86070 4.356040 4.007003       1.928406      4.739542       3.061929      3.273756       2.344975      21.56694 6.535369 18.15446 5.761016 3.412474       8.712081 
1 1 1 2  14 30 o 97.50754 3.466744 95.99522       6.456830      85.72267       12.12161      106.2678       4.454036      91.99977 6.587848 103.0153 2.161832 -11.01553      6.933488 
1 1 1 2  14 31 o 77.94551 4.957766 61.91869       7.672533      56.35733       11.36357      67.48003       10.30089      74.31329 7.645716 81.57774 6.313541 -7.264458      9.915532 
1 1 1 2  14 32 o 99.57660 4.303267 100.7418       8.529759      93.01972       12.47583      108.4640       11.62569      95.64843 6.521715 103.5048 5.616019 -7.856331      8.606534 
1 1 1 2  14 33 o 26.26077 8.003882 -2.081431      8.019674      5.953120       11.74613      -10.11669      10.91724      31.04436 12.44557 21.47716 10.06758 9.567202       16.00776 
1 1 1 2  14 34 o 117.3257 4.746529 141.1944       11.15103      148.4915       16.45733      133.9682       15.05460      120.2883 6.840790 114.3632 6.581925 5.925072       9.493058 
1 1 1 2  14 35 o 25.72711 7.888775 -0.8968999     7.679617      -4.617689      11.67529      2.824597       9.982086      24.57250 11.11479 26.88172 11.19788 -2.309217      15.77755 
1 1 1 2  14 36 o 133.5520 3.967575 182.5680       10.61969      195.6035       15.79847      169.6034       14.19029      138.2580 5.713402 128.8459 5.506691 9.412155       7.935151 
1 1 1 2  14 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  14 38 o 99.02637 4.449315 102.1587       8.798972      98.75818       12.88674      105.5593       11.97283      97.15878 6.631793 100.8940 5.933376 -3.735168      8.898630 
1 1 1 2  14 39 o 93.81543 4.630552 93.23225       8.628942      87.13957       12.92216      99.32494       11.44150      90.23969 7.159910 97.39118 5.873990 -7.151497      9.261105 
1 1 1 2  14 40 o 59.27776 7.002964 40.98394       8.161365      46.02811       12.29872      35.93976       10.73304      63.35062 9.706868 55.20488 10.09667 8.145741       14.00593 
1 1 1 2  14 41 o 23.31513 7.352463 1.252543       6.979667      1.898651       10.04585      0.6061513      9.691620      23.81254 10.56064 22.81772 10.23268 0.9948158      14.70493 
1 1 1 2  14 42 o 91.41656 5.361129 95.99522       9.812057      91.24860       11.12269      100.8127       16.15978      91.23462 6.095654 91.59850 8.820989 -0.3638763     10.72226 
1 1 1 2  14 43 o 23.42462 7.434975 1.601101       7.736294      12.61753       11.20771      -9.415324      10.67637      28.42835 11.85527 18.42089 8.975973 10.00746       14.86995 
1 1 1 2  14 44 o 30.61734 8.699543 19.87916       8.140111      20.47426       11.62569      19.29114       11.40607      30.94181 12.39111 30.29287 12.21428 0.6489353      17.39909 
1 1 1 2  15 0  o 183.9068 4.348793 338.8525       15.97559      338.8525       15.97559      338.8525       15.97559      183.9068 4.348793 183.9068 4.348793 0.000000       0.000000 
1 1 1 2  15 1  o 303.0274 3.054370 918.8620       18.51893      948.6169       26.76531      889.1071       25.59636      307.9344 4.345944 298.1205 4.292956 9.813873       6.108740 
1 1 1 2  15 2  f 384.0607 3.589625 1475.705       27.58711      1438.866       37.98010      1513.253       40.01336      379.2240 5.007608 388.8975 5.144461 -9.673462      7.179249 
1 1 1 2  15 3  o 538.2510 4.744017 2900.402       51.10062      2818.930       70.21466      2981.874       74.24575      530.6967 6.615328 545.8052 6.801487 -15.10852      9.488033 
1 1 1 2  15 4  o 133.9196 2.207943 179.3800       5.912030      179.4508       8.380984      179.3091       8.345562      133.9460 3.128495 133.8932 3.116500 0.5278015E-01  4.415886 
1 1 1 2  15 5  f 141.7596 2.163575 201.0586       6.133776      193.9741       8.522675      208.1431       8.827310      139.2613 3.059958 144.2579 3.059558 -4.996613      4.327151 
1 1 1 2  15 6  o 196.2862 2.196766 385.3978       8.621859      384.6893       12.14286      386.0354       12.24913      196.1149 3.095854 196.4575 3.117502 -0.3425293     4.393533 
1 1 1 2  15 7  o 183.3281 2.374279 336.1604       8.699788      340.7653       11.38482      331.6263       13.14886      184.5778 3.084016 182.0784 3.610770 2.499405       4.748559 
1 1 1 2  15 8  o 593.2665 4.483732 3523.131       53.19764      3513.212       75.02505      3533.049       75.45012      592.4322 6.331953 594.1007 6.349943 -1.668518      8.967463 
1 1 1 2  15 9  o 299.5425 2.862100 897.6085       17.15870      906.1099       26.10645      889.1071       22.27372      300.9529 4.337298 298.1321 3.735546 2.820740       5.724199 
1 1 1 2  15 10 o 222.5053 2.959720 495.2786       13.14886      505.1261       17.06660      485.5020       20.00668      224.7165 3.797363 220.2940 4.540904 4.422501       5.919440 
1 1 1 2  15 11 o 85.58704 3.265103 73.25391       5.588267      73.96236       7.693786      72.61631       8.104689      85.98132 4.474103 85.19275 4.756677 0.7885742      6.530205 
1 1 1 2  15 12 o 461.8367 4.733466 2135.274       43.69022      2118.979       67.52254      2152.277       55.45052      459.9783 7.339754 463.6952 5.979199 -3.716949      9.466932 
1 1 1 2  15 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 14 o 503.1667 4.251299 2534.132       42.77632      2530.590       64.56829      2537.674       56.13063      502.7820 6.421102 503.5514 5.573476 -0.7693787     8.502599 
1 1 1 2  15 15 o 307.8249 2.872772 948.6169       17.69713      916.7366       24.25739      979.7889       25.77348      302.7085 4.006724 312.9414 4.117940 -10.23291      5.745543 
1 1 1 2  15 16 o 506.7917 4.284760 2571.680       43.42809      2575.222       56.68323      2568.138       65.80100      507.1894 5.587975 506.3940 6.497017 0.7954102      8.569521 
1 1 1 2  15 17 o 162.7798 3.051579 265.5277       10.10252      246.1870       10.10252      284.8685       17.49167      156.8706 3.220017 168.6889 5.184595 -11.81831      6.103158 
1 1 1 2  15 18 o 219.0290 2.330091 479.9761       10.20170      488.0524       14.51618      471.9706       14.35323      220.8640 3.286225 217.1941 3.304242 3.669937       4.660181 
1 1 1 2  15 19 o 396.9136 3.205102 1577.014       25.44759      1560.719       35.64221      1593.308       36.32232      394.8647 4.513218 398.9625 4.552097 -4.097809      6.410205 
1 1 1 2  15 20 o 123.5039 2.348649 152.7422       5.779550      159.3308       7.622942      146.0827       8.692703      126.1910 3.020397 120.8168 3.597472 5.374222       4.697298 
1 1 1 2  15 21 o 279.7151 2.837292 783.5477       15.87640      784.9646       22.43667      782.1308       22.45792      279.9686 4.006998 279.4617 4.018068 0.5069275      5.674584 
1 1 1 2  15 22 o 197.5231 2.152884 390.6403       8.508506      377.1089       11.63278      404.1718       12.42624      194.1039 2.996533 200.9422 3.091995 -6.838226      4.305769 
1 1 1 2  15 23 o 181.4355 2.112218 329.5009       7.665448      326.4546       10.66928      332.6181       11.00934      180.5891 2.954022 182.2818 3.019869 -1.692642      4.224435 
1 1 1 2  15 24 o 102.0154 2.268178 104.2133       4.627607      103.7173       6.524132      104.7092       6.565223      101.7727 3.205246 102.2580 3.210128 -0.4852524     4.536355 
1 1 1 2  15 25 f 115.4257 2.058437 133.6140       4.740959      143.1073       6.665114      124.0499       6.743752      119.5542 2.787486 111.2972 3.029615 8.257050       4.116874 
1 1 1 2  15 26 o 65.97008 2.588239 43.64063       3.414029      43.86733       4.668697      43.41393       4.983250      66.14781 3.528989 65.79234 3.787105 0.3554764      5.176478 
1 1 1 2  15 27 o 204.7369 2.102424 420.0410       8.607689      418.7658       12.10036      421.3163       12.24913      204.4281 2.959563 205.0458 2.986926 -0.6176910     4.204848 
1 1 1 2  15 28 f 135.1021 1.729645 182.8514       4.672948      181.8596       7.119940      183.7724       6.049470      134.7308 2.642283 135.4733 2.232717 -0.7424622     3.459290 
1 1 1 2  15 29 o 117.5538 1.928433 138.6440       4.591476      147.6413       7.771716      129.6467       4.889734      121.3230 3.202902 113.7845 2.148682 7.538544       3.856866 
1 1 1 2  15 30 o 149.4416 1.860575 223.8708       5.554970      222.3830       9.068183      225.3585       6.415030      148.8837 3.045392 149.9995 2.138351 -1.115784      3.721150 
1 1 1 2  15 31 o 152.9469 2.929291 236.7646       9.415324      272.3289       17.55543      201.2003       6.791928      164.1931 5.345972 141.7007 2.396575 22.49240       5.858582 
1 1 1 2  15 32 o 59.96104 5.811317 37.41334       6.507838      35.63512       12.35540      39.19156       4.094851      57.45075 11.15098 62.47134 3.277384 -5.020584      11.62263 
1 1 1 2  15 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 34 o 148.0605 4.045757 223.3748       11.95867      209.7017       17.06660      236.9771       16.74780      143.4302 5.949447 152.6908 5.484220 -9.260620      8.091514 
1 1 1 2  15 35 o 94.99481 4.804207 93.01972       9.139028      96.49113       13.60227      89.54830       12.21371      96.66662 7.035662 93.32300 6.543783 3.343620       9.608415 
1 1 1 2  15 36 o 168.2766 3.881849 290.5361       13.09219      317.3864       19.51785      263.6857       17.44917      176.0304 5.543885 160.5229 5.435104 15.50755       7.763699 
1 1 1 2  15 37 o 54.12641 7.710484 33.45309       8.133026      26.24105       12.06493      40.67222       10.91724      46.81795 12.60393 61.43488 8.885215 -14.61693      15.42097 
1 1 1 2  15 38 o 43.92792 9.314559 22.97509       10.61261      44.80958       16.30856      1.136357       13.58102      59.72594 13.90088 28.12990 12.40200 31.59604       18.62912 
1 1 1 2  15 39 o 48.20322 10.21325 32.22039       10.71888      31.92284       16.42191      32.52502       13.78647      47.07247 15.27676 49.33397 13.55961 -2.261501      20.42651 
1 1 1 2  15 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  15 42 o 110.7410 5.139665 142.3280       11.29272      144.3825       18.61811      140.2026       12.79464      108.5114 8.578877 112.9707 5.662815 -4.459312      10.27933 
1 1 1 2  15 43 o 40.85512 7.187953 24.88791       6.093394      33.27598       9.068183      16.49276       8.140111      49.29685 9.537928 32.41339 10.75614 16.88346       14.37591 
1 1 1 2  16 0  o 367.2558 4.316603 1349.601       31.69613      1349.601       31.69613      1349.601       31.69613      367.2558 4.316603 367.2558 4.316603 -0.000000      0.000000 
1 1 1 2  16 1  o 408.0362 4.253434 1666.279       34.82749      1616.687       42.79757      1716.579       54.95461      401.9558 5.323667 414.1166 6.635161 -12.16080      8.506867 
1 1 1 2  16 2  f 775.4640 6.642475 6025.382       103.0089      5982.875       144.8075      6067.890       146.5787      772.7325 9.369836 778.1954 9.417858 -5.462891      13.28495 
1 1 1 2  16 3  o 376.8193 3.592750 1420.446       27.07702      1409.111       38.11471      1432.490       38.46893      375.2693 5.078314 378.3693 5.083516 -3.100037      7.185500 
1 1 1 2  16 4  o 633.2631 5.519576 4016.213       69.91711      3975.123       97.97889      4057.303       99.75002      630.0270 7.775769 636.4990 7.835834 -6.471985      11.03915 
1 1 1 2  16 5  o 243.4154 2.431404 592.7616       11.83823      606.4348       17.04535      579.0884       16.43608      246.2228 3.461368 240.6081 3.415529 5.614639       4.862808 
1 1 1 2  16 6  o 622.9290 4.700462 3884.441       58.55354      3899.318       83.10139      3869.564       82.53463      624.1209 6.657475 621.7371 6.637423 2.383850       9.400924 
1 1 1 2  16 7  o 469.9266 3.686249 2209.661       34.65038      2232.332       49.47119      2186.991       48.52186      472.3361 5.236864 467.5172 5.189314 4.818909       7.372498 
1 1 1 2  16 8  o 51.71083 4.319116 26.85741       4.454036      23.64104       6.162114      30.07378       6.433450      48.60173 6.339396 54.81993 5.867802 -6.218201      8.638232 
1 1 1 2  16 9  o 379.0514 3.121596 1437.449       23.66229      1441.699       33.57353      1433.198       33.36100      379.6115 4.422090 378.4912 4.407103 1.120331       6.243192 
1 1 1 2  16 10 o 315.6191 2.777368 997.5001       17.54835      1044.966       25.71680      949.3254       23.88191      323.1898 3.978591 308.0483 3.876325 15.14154       5.554735 
1 1 1 2  16 11 o 331.0776 2.891913 1096.683       19.14945      1110.144       27.22580      1083.223       26.93534      333.1096 4.086614 329.0455 4.092950 4.064056       5.783827 
1 1 1 2  16 12 o 482.3401 3.815745 2328.681       36.81824      2270.588       50.93769      2386.774       53.18348      476.3261 5.346933 488.3541 5.445176 -12.02792      7.631490 
1 1 1 2  16 13 o 245.3229 2.885285 602.1132       14.16195      609.0560       21.40233      595.1703       18.56852      246.7304 4.337189 243.9153 3.806346 2.815109       5.770570 
1 1 1 2  16 14 o 342.9352 3.572078 1177.447       24.49826      1202.951       34.93376      1151.234       34.35991      346.7032 5.037992 339.1672 5.065335 7.535950       7.144157 
1 1 1 2  16 15 o 197.8005 2.900271 391.4904       11.47692      390.9237       15.91891      392.0572       16.52818      197.6596 4.026851 197.9415 4.175016 -0.2819672     5.800542 
1 1 1 2  16 16 o 415.8240 4.974364 1733.582       41.40192      1796.634       60.57263      1669.821       56.45652      423.4182 7.152814 408.2298 6.914797 15.18832       9.948728 
1 1 1 2  16 17 o 449.1007 3.866405 2019.796       34.69997      2045.300       45.76598      1994.292       52.16330      451.9807 5.062825 446.2207 5.845012 5.760040       7.732811 
1 1 1 2  16 18 o 454.4811 3.858708 2068.679       35.04002      2104.810       46.87117      2032.548       52.09246      458.4907 5.111464 450.4715 5.781992 8.019135       7.717415 
1 1 1 2  16 19 o 237.6259 2.627016 565.2737       12.51834      550.2545       15.72763      580.2220       19.47534      234.4944 3.353520 240.7575 4.044597 -6.263138      5.254033 
1 1 1 2  16 20 o 33.08049 5.924149 11.46275       3.938284      10.19462       5.271589      12.73796       5.853229      31.27806 8.291220 34.88293 8.463914 -3.604866      11.84830 
1 1 1 2  16 21 o 252.3684 2.576344 637.8192       13.01426      646.4623       19.48242      629.1052       17.25788      254.0674 3.834106 250.6695 3.442359 3.397888       5.152689 
1 1 1 2  16 22 o 137.3403 2.192260 188.8733       6.017590      194.6117       8.388069      183.1348       8.628942      139.4315 3.007953 135.2490 3.190021 4.182510       4.384520 
1 1 1 2  16 23 o 164.3555 2.137077 270.4869       7.022174      272.8248       9.812057      268.0782       10.05293      165.0798 2.971913 163.6311 3.071827 1.448715       4.274153 
1 1 1 2  16 24 o 182.1466 2.420007 332.4056       8.827310      336.4438       13.63061      328.2965       11.21479      183.2339 3.719456 181.0593 3.096994 2.174637       4.840013 
1 1 1 2  16 25 o 288.4467 2.580756 833.8478       14.89166      843.7661       21.18979      824.6379       20.92058      290.0998 3.652156 286.7937 3.647322 3.306152       5.161511 
1 1 1 2  16 26 o 20.45054 5.421747 2.643942       3.188033      -0.5321181     4.206787      5.819932       4.791259      16.25156 7.034459 24.64953 8.252135 -8.397972      10.84349 
1 1 1 2  16 27 o 198.8409 2.142857 396.2371       8.522675      395.7411       11.89491      396.8038       12.20662      198.7131 2.992985 198.9687 3.067474 -0.2555695     4.285715 
1 1 1 2  16 28 o 140.1320 1.961726 196.8079       5.494752      201.0586       7.686701      192.6281       7.856731      141.6395 2.713474 138.6244 2.833819 3.015106       3.923451 
1 1 1 2  16 29 o 186.6108 1.879677 349.0542       7.020049      353.5883       10.66928      344.4492       9.131943      187.8033 2.840548 185.4182 2.462526 2.385101       3.759354 
1 1 1 2  16 30 o 108.2116 2.024222 117.5322       4.421447      124.6167       7.275800      110.4476       5.027174      111.4310 3.264711 104.9923 2.394068 6.438728       4.048444 
1 1 1 2  16 31 o 144.8305 1.984546 210.4102       5.773174      215.6527       9.613690      205.2385       6.396611      146.5404 3.280218 143.1205 2.234694 3.419891       3.969092 
1 1 1 2  16 32 o 61.87003 2.175790 38.73106       2.710536      45.35508       4.204661      32.11412       3.420405      67.19199 3.128841 56.54807 3.024334 10.64392       4.351580 
1 1 1 2  16 33 o 108.5482 3.827300 119.7283       8.310139      121.2161       15.90474      118.2406       4.796218      108.5037 7.329126 108.5926 2.208354 -0.8895111E-01 7.654601 
1 1 1 2  16 34 o 95.82120 6.743698 96.91621       12.92216      100.4585       18.50476      93.30310       18.04427      97.62191 9.477770 94.02049 9.595922 3.601418       13.48740 
1 1 1 2  16 35 o 71.91067 8.275918 56.81783       11.90199      57.53337       16.95325      56.09521       16.71238      72.35990 11.71453 71.46143 11.69328 0.8984680      16.55184 
1 1 1 2  16 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  16 37 o 31.23349 9.218996 2.635441       10.52759      -8.225125      16.18104      13.49601       13.46767      26.76103 12.45587 35.70595 13.59451 -8.944923      18.43799 
1 1 1 2  16 38 o 34.56139 8.571609 13.90691       7.637110      21.04102       11.62569      6.769256       9.911241      40.83263 12.80843 28.29014 11.39447 12.54249       17.14322 
1 1 1 2  16 39 o 152.2917 3.965350 242.8573       12.06493      239.1733       17.66170      246.4704       16.45025      150.8406 5.854427 153.7428 5.349925 -2.902222      7.930700 
1 1 1 2  16 40 o 61.53605 6.756674 47.04828       8.048012      55.48595       11.76030      38.61771       10.99517      68.34611 8.603489 54.72599 10.42068 13.62012       13.51335 
1 1 1 2  16 41 o 34.52414 7.642028 16.15978       6.040260      11.63986       8.366816      20.68679       8.713958      29.81862 10.83557 39.22966 10.77928 -9.411041      15.28406 
1 1 1 2  16 42 o 19.76306 6.377729 -0.7608773     5.719331      3.244001       7.934660      -4.766464      8.239295      21.70107 9.526634 17.82505 8.482038 3.876013       12.75546 
1 1 1 2  16 43 o 33.69989 7.750623 19.02193       6.072140      21.09061       8.395153      16.95325       8.777717      36.13966 10.79554 31.26012 11.12407 4.879541       15.50125 
1 1 1 2  17 0  o 433.3102 4.913702 1878.814       42.57087      1878.814       42.57087      1878.814       42.57087      433.3102 4.913702 433.3102 4.913702 -0.000000      0.000000 
1 1 1 2  17 1  o 292.2496 2.669737 854.3929       15.60719      845.8914       21.94784      862.8942       22.18871      290.7956 3.773757 293.7036 3.777399 -2.907959      5.339474 
1 1 1 2  17 2  o 132.4602 2.691958 175.6252       7.155363      168.2573       9.131943      182.9222       11.01642      129.6963 3.520509 135.2240 4.073397 -5.527710      5.383916 
1 1 1 2  17 3  o 386.9127 3.193156 1497.667       24.71080      1496.959       34.86291      1498.376       35.02586      386.8216 4.506330 387.0038 4.525259 -0.1822815     6.386312 
1 1 1 2  17 4  o 140.2195 2.593220 196.6662       7.261631      191.7071       10.69762      201.6962       9.826226      138.4368 3.863720 142.0021 3.459888 -3.565292      5.186440 
1 1 1 2  17 5  o 367.6025 3.579221 1352.434       26.31898      1366.604       37.67547      1337.557       36.75448      369.5755 5.097127 365.6296 5.026190 3.945892       7.158442 
1 1 1 2  17 6  o 445.8773 4.124064 1989.333       36.78282      1960.286       51.41943      2019.088       52.60254      442.5842 5.809000 449.1703 5.855523 -6.586151      8.248129 
1 1 1 2  17 7  o 529.4513 4.750094 2806.886       50.30716      2731.082       69.52037      2882.690       72.75800      522.3062 6.655135 536.5964 6.779583 -14.29016      9.500188 
1 1 1 2  17 8  o 121.9431 3.119801 149.0583       7.615856      161.8812       11.16520      136.2353       10.35048      127.1984 4.388893 116.6878 4.435115 10.51052       6.239602 
1 1 1 2  17 9  f 191.3215 2.770791 366.6238       10.54176      341.6154       15.74180      391.6321       14.02734      184.7811 4.259580 197.8619 3.544731 -13.08078      5.541583 
1 1 1 2  17 10 o 498.9191 3.940491 2490.917       39.31907      2491.625       55.50719      2490.917       55.70557      498.9553 5.562342 498.8829 5.583031 0.7241821E-01  7.880982 
1 1 1 2  17 11 o 172.4303 3.311237 297.5498       11.41316      289.1192       16.30856      305.9803       15.96850      169.9847 4.797068 174.8760 4.565665 -4.891312      6.622473 
1 1 1 2  17 12 o 185.5890 2.857859 344.5909       10.60552      343.2449       14.87040      345.9370       15.13253      185.2271 4.014101 185.9509 4.068959 -0.7238007     5.715718 
1 1 1 2  17 13 o 467.7321 3.770535 2189.824       35.27382      2190.533       49.81833      2189.116       49.94585      467.8084 5.324650 467.6559 5.340022 0.1525879      7.541070 
1 1 1 2  17 14 o 352.5631 3.066202 1244.041       21.62195      1270.254       30.96643      1217.829       30.18713      356.2773 4.345832 348.8489 4.326677 7.428436       6.132405 
1 1 1 2  17 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 16 o 227.4321 2.449964 517.6657       11.14395      530.9138       15.92599      504.3468       15.59302      230.3511 3.456896 224.5132 3.472630 5.837921       4.899928 
1 1 1 2  17 17 o 522.8341 4.695859 2739.583       49.10279      2756.586       69.71873      2722.580       69.16615      524.4556 6.646773 521.2126 6.635118 3.242920       9.391719 
1 1 1 2  17 18 o 343.0412 3.416765 1178.864       23.44975      1218.537       34.02694      1139.190       32.28415      348.8103 4.877571 337.2721 4.786068 11.53824       6.833531 
1 1 1 2  17 19 o 58.10645 4.440775 34.12612       5.150445      28.39475       6.902445      39.85749       7.644195      53.18520 6.489067 63.02771 6.064154 -9.842510      8.881551 
1 1 1 2  17 20 o 204.2228 2.529094 417.7032       10.35048      407.9265       13.19846      427.4089       15.94725      201.8627 3.269166 206.5829 3.859769 -4.720230      5.058188 
1 1 1 2  17 21 o 75.68843 3.026508 57.49086       4.587934      53.08429       6.168490      61.89743       6.794053      72.78502 4.237472 78.59184 4.322365 -5.806824      6.053017 
1 1 1 2  17 22 o 212.0490 2.298161 450.2211       9.748297      451.0004       13.67312      449.5127       13.89274      212.2267 3.221348 211.8713 3.278580 0.3553772      4.596322 
1 1 1 2  17 23 o 185.2493 2.226253 343.8825       8.246379      359.3976       11.79572      328.2965       11.52651      189.4434 3.113258 181.0552 3.183148 8.388168       4.452505 
1 1 1 2  17 24 o 137.5121 2.418769 189.5109       6.651654      189.4400       9.167366      189.5817       9.642029      137.4939 3.333735 137.5302 3.505422 -0.3628540E-01 4.837537 
1 1 1 2  17 25 f 41.30135 4.906232 17.69004       3.843351      21.04810       4.961287      14.33906       5.870940      45.72621 5.424994 36.87650 8.176423 8.849712       9.812464 
1 1 1 2  17 26 o 143.3153 2.126123 205.8761       6.094810      203.9633       8.487252      207.7180       8.749379      142.6651 2.974538 143.9656 3.038704 -1.300583      4.252246 
1 1 1 2  17 27 o 143.6590 2.116693 207.0096       6.075682      215.6527       8.558097      198.3665       8.628942      146.6688 2.917491 140.6493 3.067539 6.019485       4.233385 
1 1 1 2  17 28 o 158.5874 2.073380 252.1380       6.575850      251.5712       9.096521      252.7047       9.500339      158.4174 2.871061 158.7573 2.992095 -0.3398895     4.146760 
1 1 1 2  17 29 o 132.6177 2.061104 176.4045       5.466414      175.6960       7.523758      177.1129       7.934660      132.3612 2.842132 132.8742 2.985780 -0.5130157     4.122208 
1 1 1 2  17 30 o 60.74603 3.033548 37.23623       3.661988      40.46677       4.966955      33.99860       5.382108      63.42515 3.915604 58.06690 4.634403 5.358246       6.067096 
1 1 1 2  17 31 o 106.8390 2.384043 114.8400       5.174532      124.1208       8.798972      105.6302       5.445868      111.0504 3.961702 102.6276 2.653220 8.422844       4.768087 
1 1 1 2  17 32 o 53.55645 5.448668 29.17405       5.836226      29.17405       5.836226      ?              ?             53.55645 5.448668 ?        ?        ?              ?        
1 1 1 2  17 33 o 68.18134 2.100962 47.04120       2.902527      54.80583       4.639651      39.27657       3.489125      73.82752 3.142223 62.53516 2.789731 11.29237       4.201924 
1 1 1 2  17 34 o 20.41306 6.237037 -2.306719      6.074266      -7.275800      11.83823      2.661653       2.740291      23.46163 10.81739 17.36449 6.211803 6.097137       12.47407 
1 1 1 2  17 35 o 82.71932 5.544862 72.82884       9.117774      89.33577       13.70146      56.25108       12.04368      92.45320 7.409943 72.98544 8.250741 19.46776       11.08972 
1 1 1 2  17 36 o 104.9443 4.794119 115.1234       10.08127      122.2788       14.99084      107.9680       13.48184      108.1071 6.933327 101.7814 6.622937 6.325699       9.588239 
1 1 1 2  17 37 o 34.35050 8.729144 13.21263       7.693786      16.19521       11.35648      10.22296       10.39299      37.03643 12.70358 31.66457 11.97543 5.371864       17.45829 
1 1 1 2  17 38 o 72.01042 5.933790 57.54754       8.501422      54.47286       12.57502      60.61513       11.44858      69.51244 9.045158 74.50841 7.682744 -4.995972      11.86758 
1 1 1 2  17 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  17 41 o 17.24448 5.976885 -12.78755      7.148279      -16.40066      11.47692      -9.174451      8.522675      17.74180 8.770526 16.74716 8.122224 0.9946384      11.95377 
1 1 1 2  17 42 o 25.65086 7.821613 7.431659       7.828392      17.10911       11.17937      -2.249334      10.95975      30.73115 12.20453 20.57057 9.785708 10.16058       15.64323 
1 1 1 2  18 0  o 771.3145 8.126149 5955.954       125.3251      5955.954       125.3251      5955.954       125.3251      771.3145 8.126149 771.3145 8.126149 0.000000       0.000000 
1 1 1 2  18 1  f 254.3193 2.768219 647.0291       14.08402      650.9255       21.31023      643.1325       18.42683      255.0785 4.177191 253.5600 3.633623 1.518463       5.536438 
1 1 1 2  18 2  o 417.0500 3.401734 1740.666       28.37349      1737.124       40.04878      1743.500       40.20464      416.6682 4.805836 417.4317 4.815715 -0.7634888     6.803467 
1 1 1 2  18 3  o 439.3365 3.541172 1931.948       31.12229      1967.371       44.72456      1895.817       43.28640      443.4034 5.043326 435.2695 4.972368 8.133972       7.082343 
1 1 1 2  18 4  o 403.0580 3.325625 1625.188       26.80782      1625.188       37.90925      1625.897       37.91634      403.0141 4.703217 403.1020 4.703071 -0.8786011E-01 6.651249 
1 1 1 2  18 5  o 363.6556 3.111303 1323.388       22.63503      1290.091       31.32774      1356.685       32.68088      359.0817 4.362202 368.2295 4.437569 -9.147827      6.222606 
1 1 1 2  18 6  o 511.9156 4.022395 2623.397       41.19647      2556.802       56.93119      2689.991       59.55954      505.4218 5.632047 518.4095 5.744449 -12.98776      8.044790 
1 1 1 2  18 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 8  o 600.8375 4.631476 3613.813       55.64889      3586.183       78.00054      3642.151       79.41744      598.5148 6.516174 603.1602 6.583446 -4.645386      9.262952 
1 1 1 2  18 9  o 335.1672 3.612458 1125.021       24.23614      1173.905       35.56428      1075.430       32.94301      342.5038 5.191809 327.8307 5.024395 14.67310       7.224916 
1 1 1 2  18 10 o 511.3799 4.743216 2618.438       48.51478      2592.934       68.12472      2643.942       69.08822      508.8907 6.693453 513.8691 6.722356 -4.978333      9.486431 
1 1 1 2  18 11 o 204.1223 3.359270 417.0656       13.70854      404.1718       19.51076      429.9594       19.25572      200.9629 4.854320 207.2816 4.644821 -6.318710      6.718540 
1 1 1 2  18 12 o 221.2983 3.134376 490.1778       13.87857      503.5675       20.08461      476.7881       19.15654      224.3197 4.476781 218.2768 4.388129 6.042923       6.268752 
1 1 1 2  18 13 o 549.6039 5.560668 3028.631       61.01895      2966.996       93.23225      3090.267       78.70899      543.8798 8.571034 555.3281 7.086712 -11.44824      11.12134 
1 1 1 2  18 14 o 190.2214 2.465184 362.0897       9.379901      370.3078       13.33306      353.8717       13.19137      192.3809 3.465277 188.0618 3.507191 4.319122       4.930368 
1 1 1 2  18 15 o 191.2661 2.615979 366.2696       9.967916      385.1144       13.34015      347.4956       14.82081      196.1896 3.399810 186.3425 3.976766 9.847076       5.231957 
1 1 1 2  18 16 o 79.94494 3.289993 63.98737       5.265214      62.72632       7.176617      65.25550       7.700871      79.15723 4.533140 80.73264 4.769366 -1.575409      6.579986 
1 1 1 2  18 17 o 161.3457 2.386957 260.4977       7.700871      260.0018       10.76138      261.0645       11.02351      161.1826 3.338259 161.5088 3.412666 -0.3262024     4.773914 
1 1 1 2  18 18 o 241.1657 2.483834 582.2765       11.97992      590.7071       17.05243      573.9167       16.83282      242.9044 3.510112 239.4270 3.515229 3.477478       4.967668 
1 1 1 2  18 19 o 190.5612 2.566271 363.8608       9.826226      346.8580       12.17829      380.7928       15.42300      186.1393 3.271283 194.9831 3.954958 -8.843765      5.132542 
1 1 1 2  18 20 o 216.8944 2.590370 471.1913       11.22896      468.7826       16.88949      473.5291       14.81373      216.3256 3.903720 217.4632 3.406031 -1.137543      5.180741 
1 1 1 2  18 21 o 193.4173 2.727767 374.8418       10.55593      365.4194       14.65078      384.3351       15.19629      190.9791 3.835703 195.8555 3.879465 -4.876343      5.455535 
1 1 1 2  18 22 o 160.5251 2.893619 258.4432       9.330310      245.4785       11.78155      271.4787       14.46659      156.5159 3.763691 164.5344 4.396220 -8.018433      5.787238 
1 1 1 2  18 23 o 77.07576 3.202267 59.70832       4.968372      55.37259       6.164238      64.05112       7.792970      74.29485 4.148497 79.85667 4.879348 -5.561821      6.404534 
1 1 1 2  18 24 o 175.8216 2.745698 310.3019       9.620775      323.1248       12.56793      297.4789       14.56577      179.5113 3.500598 172.1320 4.230988 7.379242       5.491397 
1 1 1 2  18 25 o 271.8553 2.587656 741.7490       14.06985      741.0406       19.79414      741.7490       19.99959      271.7946 3.641378 271.9160 3.677531 -0.1213989     5.175313 
1 1 1 2  18 26 o 194.0368 2.437469 378.0298       9.486169      359.9644       12.24913      396.0245       14.49492      189.4458 3.232885 198.6279 3.648764 -9.182037      4.874938 
1 1 1 2  18 27 o 139.9240 2.426337 196.5245       6.784843      205.2385       9.606606      187.8814       9.585353      143.0246 3.358375 136.8233 3.502820 6.201263       4.852673 
1 1 1 2  18 28 o 121.8484 2.434859 149.1291       5.929033      153.1673       8.253463      145.0909       8.515590      123.5136 3.341116 120.1833 3.542752 3.330284       4.869718 
1 1 1 2  18 29 o 31.95628 5.871998 10.93850       3.848310      7.984251       5.059763      13.89274       5.800095      27.77127 8.398267 36.14128 8.209176 -8.370010      11.74400 
1 1 1 2  18 30 o 96.24450 2.566088 93.16142       4.937201      98.89986       7.091603      87.49380       6.871274      99.19942 3.574417 93.28957 3.682767 5.909851       5.132176 
1 1 1 2  18 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 32 o 74.56819 2.692398 56.05270       3.992126      54.11863       6.416448      57.99386       4.750169      73.18421 4.383765 75.95216 3.127080 -2.767952      5.384795 
1 1 1 2  18 33 o 72.97142 2.402573 53.67939       3.533757      56.60530       5.765380      50.76057       4.087059      74.88351 3.849566 71.05933 2.875807 3.824188       4.805146 
1 1 1 2  18 34 o 115.6668 2.019884 134.6767       4.684991      138.8566       7.197870      130.4260       5.995627      117.4247 3.064888 113.9089 2.631765 3.515846       4.039768 
1 1 1 2  18 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  18 36 o 30.05058 8.389561 6.892527       7.849646      14.37449       11.68946      -0.5921948     10.47092      35.64075 12.82172 24.46040 10.82323 11.18036       16.77912 
1 1 1 2  18 37 o 68.62180 8.911117 58.76608       11.81698      63.54104       17.98759      53.99111       15.33798      70.84386 13.18738 66.39973 11.98853 4.444130       17.82223 
1 1 1 2  18 38 f 51.05040 11.44088 40.09837       13.20554      38.72398       19.59578      41.47277       17.69713      49.30634 16.68873 52.79447 15.65444 -3.488132      22.88177 
1 1 1 2  18 39 o 74.30484 8.063886 71.27025       11.97992      69.88877       17.04535      72.61631       16.83282      73.25183 11.63476 75.35786 11.16859 -2.106026      16.12777 
1 1 1 2  18 40 f 29.99983 8.939476 11.40607       9.174451      9.110690       12.78047      13.69437       13.17012      28.63498 12.32602 31.36468 12.95091 -2.729706      17.87895 
1 1 1 2  18 41 o 18.62090 6.284125 -8.515590      7.084518      -0.5279382     8.437660      -16.49984      11.38482      19.90745 9.160369 17.33435 8.605146 2.573095       12.56825 
1 1 1 2  18 42 o 29.95219 7.670901 15.24588       5.999169      18.56144       8.742295      11.93741       8.225125      32.89112 11.14692 27.01325 10.54121 5.877867       15.34180 
1 1 1 2  19 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  19 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  19 2  f 260.5081 3.262297 679.0510       16.99576      690.5279       24.27156      667.6449       23.80398      262.7027 4.619587 258.3136 4.607574 4.389069       6.524594 
1 1 1 2  19 3  o 154.0341 2.926964 237.4022       9.018591      232.2305       12.60336      242.5739       12.90091      152.3562 4.136149 155.7120 4.142553 -3.355850      5.853929 
1 1 1 2  19 4  o 302.0900 2.931700 913.1944       17.71838      940.1155       25.51843      886.2732       24.58328      306.5432 4.162289 297.6367 4.129746 8.906555       5.863400 
1 1 1 2  19 5  o 325.9624 3.057938 1063.386       19.93583      1066.928       28.18930      1059.135       28.19638      326.5601 4.316096 325.3647 4.333043 1.195435       6.115877 
1 1 1 2  19 6  o 509.3715 4.072291 2596.476       41.48693      2586.557       58.43310      2607.103       58.90777      508.3649 5.747161 510.3781 5.770993 -2.013153      8.144582 
1 1 1 2  19 7  f 459.0619 3.797521 2109.061       34.86291      2126.064       49.64122      2092.058       48.97527      460.9113 5.385115 457.2124 5.355856 3.698944       7.595042 
1 1 1 2  19 8  o 286.7159 3.019744 822.5125       17.31456      824.6379       24.31407      820.3871       24.66121      287.0877 4.234607 286.3441 4.306218 0.7435303      6.039487 
1 1 1 2  19 9  o 330.2489 3.072435 1091.016       20.29006      1081.097       28.35932      1101.642       29.03944      328.6962 4.313912 331.8017 4.376024 -3.105499      6.144870 
1 1 1 2  19 10 o 191.5240 3.129369 367.0489       11.98701      366.1987       16.62028      367.9698       17.27914      191.2956 4.344135 191.7525 4.505584 -0.4569092     6.258738 
1 1 1 2  19 11 o 134.5879 2.854888 181.5762       7.693786      167.2655       10.44258      195.8161       11.29272      129.2881 4.038492 139.8877 4.036351 -10.59966      5.709777 
1 1 1 2  19 12 o 200.5961 2.760640 402.6840       11.09435      393.3325       14.15487      412.1064       17.09494      198.2692 3.569608 202.9229 4.212176 -4.653748      5.521279 
1 1 1 2  19 13 o 173.7355 5.209338 0.000000       0.000000      ?              ?             302.2255       18.10094      ?        ?        173.7355 5.209338 ?              ?        
1 1 1 2  19 14 o 42.74772 7.252663 19.16362       6.239335      13.47475       8.912323      24.84540       8.735210      36.55001 11.16465 48.94542 9.260403 -12.39540      14.50533 
1 1 1 2  19 15 f 240.0840 3.014884 577.1049       14.48075      591.1321       20.89933      563.0775       20.04918      243.0000 4.300273 237.1680 4.226790 5.832016       6.029768 
1 1 1 2  19 16 o 224.1124 2.944774 503.0716       13.20554      514.5485       19.07152      491.5238       18.26389      226.6740 4.206817 221.5508 4.121828 5.123215       5.889548 
1 1 1 2  19 17 o 104.4936 2.837914 109.3850       5.926908      112.7147       8.281801      106.0552       8.480167      106.0888 3.903239 102.8984 4.120649 3.190392       5.675828 
1 1 1 2  19 18 o 78.17703 3.255313 61.27399       5.084558      63.59772       7.049803      58.95028       7.325392      79.66653 4.424571 76.68752 4.776130 2.979012       6.510625 
1 1 1 2  19 19 o 113.8985 2.641781 130.0009       6.020423      124.4041       8.239295      135.5977       8.784801      111.4476 3.696490 116.3495 3.775180 -4.901901      5.283561 
1 1 1 2  19 20 o 169.3460 2.375549 287.3481       8.048012      300.3127       11.48400      274.3834       11.26438      173.1714 3.315790 165.5205 3.402715 7.650925       4.751098 
1 1 1 2  19 21 o 95.09744 2.808440 90.68183       5.342435      90.39845       7.360813      90.89436       7.743378      94.97269 3.875227 95.22219 4.065952 -0.2495041     5.616881 
1 1 1 2  19 22 o 103.7454 2.897875 107.9680       6.011921      108.6057       8.366816      107.3305       8.636027      104.0578 4.020274 103.4329 4.174699 0.6248474      5.795749 
1 1 1 2  19 23 f 315.8040 3.619772 1003.168       22.87591      1010.961       35.58553      995.3747       28.76314      316.8441 5.615622 314.7639 4.569003 2.080231       7.239543 
1 1 1 2  19 24 o 227.2870 3.380085 519.3660       15.36632      526.0255       21.74238      512.7774       21.71405      228.7434 4.752571 225.8306 4.807596 2.912781       6.760170 
1 1 1 2  19 25 o 211.2750 3.349221 449.1584       14.14778      442.4990       19.90749      455.8887       20.12003      209.6976 4.746716 212.8523 4.726289 -3.154724      6.698442 
1 1 1 2  19 26 o 197.0014 2.696080 389.8610       10.63386      380.0135       14.14778      399.6376       15.88349      194.5599 3.635843 199.4429 3.981965 -4.883011      5.392161 
1 1 1 2  19 27 o 111.0563 2.497860 123.8374       5.549303      124.1208       7.622942      123.6248       8.062181      111.1815 3.428151 110.9312 3.633867 0.2503662      4.995719 
1 1 1 2  19 28 o 81.83574 2.908860 67.47295       4.736000      72.89968       6.458246      62.03912       6.927950      85.17012 3.791380 78.50135 4.412631 6.668770       5.817721 
1 1 1 2  19 29 o 27.42719 6.334550 7.545012       4.022589      6.041677       5.297802      9.054014       6.053721      25.23972 8.674772 29.61466 9.233333 -4.374945      12.66910 
1 1 1 2  19 30 o 74.37762 3.744092 56.17315       5.533009      60.57263       7.410406      51.77366       8.218040      77.38797 4.787828 71.36728 5.757569 6.020691       7.488184 
1 1 1 2  19 31 o 78.81593 3.049757 62.79716       4.793385      66.21899       6.550345      59.37534       6.998795      81.01310 4.042769 76.61877 4.567286 4.394333       6.099514 
1 1 1 2  19 32 o 38.89958 5.193331 16.42900       3.844059      23.25139       5.186575      9.606606       5.675407      47.79810 5.425504 30.00106 8.857011 17.79703       10.38666 
1 1 1 2  19 33 o 70.66388 2.856382 50.54095       4.068638      52.80800       6.833726      48.28099       4.416489      72.09393 4.739460 69.23382 3.189546 2.860115       5.712765 
1 1 1 2  19 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  19 35 o 62.10911 2.961145 0.000000       0.000000      ?              ?             38.90817       3.678282      ?        ?        62.10911 2.961145 ?              ?        
1 1 1 2  19 36 o 45.89140 7.913065 24.85957       8.529759      28.75606       16.76197      20.96309       3.178823      46.33432 15.43490 45.44848 3.497172 0.8858376      15.82613 
1 1 1 2  19 37 o 53.43249 8.490160 35.47218       8.855647      36.28690       12.58210      34.66455       12.46167      54.11513 11.94537 52.74986 12.06812 1.365273       16.98032 
1 1 1 2  19 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  19 39 o 39.80087 8.698524 23.75439       7.778800      28.05469       10.95975      19.46117       11.05185      43.93082 12.09660 35.67092 12.50319 8.259899       17.39705 
1 1 1 2  19 40 o 61.30589 6.292661 47.06245       7.382068      55.04670       10.40716      39.07820       10.47800      68.25347 7.623903 54.35831 10.01331 13.89516       12.58532 
1 1 1 2  19 41 o 20.82474 6.652126 1.419737       6.083476      5.994919       8.522675      -3.155444      8.678535      23.16016 10.01851 18.48932 8.754004 4.670843       13.30425 
1 1 1 2  20 0  o 113.2611 6.037905 129.4341       13.59519      129.4341       13.59519      129.4341       13.59519      113.2611 6.037905 113.2611 6.037905 0.000000       0.000000 
1 1 1 2  20 1  o 526.8583 4.227582 2778.548       44.54745      2755.877       62.55629      2801.219       63.44186      524.7104 5.961030 529.0062 5.996325 -4.295776      8.455164 
1 1 1 2  20 2  o 381.3413 3.424718 1455.160       26.12062      1457.285       36.86783      1453.035       37.00952      381.6205 4.830431 381.0622 4.856100 0.5583191      6.849436 
1 1 1 2  20 3  o 415.9873 3.599422 1731.456       29.94626      1710.203       41.79865      1753.418       42.90384      413.3942 5.055545 418.5804 5.124922 -5.186279      7.198844 
1 1 1 2  20 4  o 211.0136 3.094926 445.6162       13.06385      432.9349       18.10094      458.2975       18.84482      208.0112 4.350954 214.0160 4.402666 -6.004761      6.189852 
1 1 1 2  20 5  o 190.3878 3.031933 362.7273       11.54776      362.6565       16.18104      362.7273       16.47150      190.3795 4.249679 190.3961 4.325588 -0.1660156E-01 6.063867 
1 1 1 2  20 6  o 631.2806 4.866414 3992.126       61.44402      4014.088       87.28126      3969.455       86.50197      633.0435 6.893781 629.5177 6.870495 3.525757       9.732827 
1 1 1 2  20 7  o 179.8929 2.809186 324.1167       10.10252      344.2367       14.53035      303.9966       14.04151      185.4833 3.916888 174.3025 4.027916 11.18085       5.618373 
1 1 1 2  20 8  o 383.1050 3.310530 1469.329       25.36257      1460.828       35.59970      1477.122       36.14521      382.0442 4.659108 384.1658 4.704376 -2.121613      6.621061 
1 1 1 2  20 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  20 10 o 397.8029 3.906177 1584.807       31.08686      1613.145       44.73165      1556.469       43.17305      401.3548 5.572581 394.2509 5.475327 7.103943       7.812354 
1 1 1 2  20 11 o 441.5794 3.607681 1952.493       31.86616      1914.945       44.25698      1990.041       45.86517      437.3375 5.059820 445.8213 5.143896 -8.483795      7.215362 
1 1 1 2  20 12 o 361.2103 3.138090 1306.385       22.67046      1290.091       31.75989      1321.971       32.36208      359.0071 4.423296 363.4136 4.452514 -4.406464      6.276179 
1 1 1 2  20 13 o 103.3751 3.045754 106.9762       6.297428      106.0552       8.756464      107.8972       9.054014      102.9314 4.253542 103.8188 4.360488 -0.8873596     6.091508 
1 1 1 2  20 14 o 18.74278 6.060145 -5.564889      5.186575      -8.253463      7.318307      -2.878439      7.346645      17.26163 8.125420 20.22393 8.993274 -2.962294      12.12029 
1 1 1 2  20 15 o 255.6187 2.633968 654.2552       13.46767      659.2852       19.05027      649.2252       19.03610      256.6024 3.712020 254.6349 3.737920 1.967529       5.267935 
1 1 1 2  20 16 f 78.81766 3.847860 62.32250       6.083476      60.36009       7.693786      64.28491       9.422408      77.59626 4.957576 80.03905 5.886133 -2.442787      7.695721 
1 1 1 2  20 17 o 78.57899 4.189180 62.55629       6.543260      74.67081       9.634944      50.47010       8.855647      86.26600 5.584439 70.89198 6.245874 15.37402       8.378360 
1 1 1 2  20 18 o 38.56648 7.459846 15.56469       5.917697      16.04643       8.473083      15.07585       8.267632      39.13591 10.57442 37.99706 10.52515 1.138851       14.91969 
1 1 1 2  20 19 o 106.8595 4.086928 114.8400       8.721042      106.7637       12.31289      122.9164       12.34832      103.0813 5.972420 110.6378 5.580513 -7.556541      8.173856 
1 1 1 2  20 20 o 323.7231 3.786514 1053.468       24.69663      1113.686       39.85749      993.2495       29.17405      332.8056 5.988105 314.6405 4.636092 18.16510       7.573028 
1 1 1 2  20 21 o 119.6349 2.840344 143.6032       6.796178      143.5323       9.472000      143.6032       9.748297      119.6254 3.959024 119.6444 4.073862 -0.1898193E-01 5.680689 
1 1 1 2  20 22 o 27.99764 6.606066 6.793344       4.670114      11.43441       6.444786      2.155819       6.761464      33.04090 9.338785 22.95439 9.345991 10.08652       13.21213 
1 1 1 2  20 23 o 219.4918 2.476896 483.1641       10.87473      483.5892       15.35923      482.7390       15.39466      219.5894 3.497263 219.3942 3.508447 0.1951447      4.953791 
1 1 1 2  20 24 o 121.8803 2.516619 149.0583       6.138735      145.6577       8.338477      152.5297       9.011506      120.4874 3.460310 123.2731 3.655098 -2.785698      5.033238 
1 1 1 2  20 25 o 154.7580 2.416047 240.3068       7.474166      244.0616       10.52051      236.6229       10.62678      155.9624 3.372772 153.5537 3.460281 2.408707       4.832094 
1 1 1 2  20 26 o 119.8936 2.836159 144.6659       6.774924      135.8811       9.939578      153.4507       9.209873      116.2051 4.276740 123.5821 3.726217 -7.377007      5.672318 
1 1 1 2  20 27 o 63.93275 4.324310 41.55070       5.511755      36.44984       7.630026      46.64446       7.955913      59.96314 6.362264 67.90236 5.858348 -7.939220      8.648621 
1 1 1 2  20 28 f 74.67355 3.683169 56.36443       5.511046      55.16005       6.894653      57.56879       8.600604      73.95422 4.661433 75.39289 5.703856 -1.438667      7.366338 
1 1 1 2  20 29 o 27.53642 7.022183 6.211705       5.168156      9.592437       6.874816      2.828848       7.715039      30.57170 9.880709 24.50113 9.980772 6.070570       14.04437 
1 1 1 2  20 30 o 25.30009 7.114259 4.005587       5.428866      4.352019       6.933618      3.659153       8.352647      24.82018 9.679757 25.78000 10.42847 -0.9598236     14.22852 
1 1 1 2  20 31 o 91.23211 3.084773 84.16407       5.635026      81.68449       7.580434      86.64365       8.338477      89.92076 4.215064 92.54346 4.505168 -2.622696      6.169547 
1 1 1 2  20 32 o 131.9181 2.556102 175.6252       6.743752      175.8377       9.238212      175.3418       9.826226      132.0487 3.498032 131.7876 3.728055 0.2610931      5.112203 
1 1 1 2  20 33 o 67.16733 3.227762 45.92893       4.318014      48.21014       5.733500      43.64063       6.458246      68.93687 4.158514 65.39778 4.937665 3.539093       6.455523 
1 1 1 2  20 34 o 101.7824 2.302211 104.9217       4.753003      114.4150       7.899237      95.35760       5.288592      106.2595 3.716956 97.30539 2.717523 8.954109       4.604421 
1 1 1 2  20 35 o 63.96478 2.641978 41.57903       3.375773      41.34525       5.349519      41.80574       4.118230      63.65293 4.202100 64.27664 3.203520 -0.6237144     5.283955 
1 1 1 2  20 36 o 63.41998 2.378872 40.94143       3.025089      41.94743       4.823848      39.93543       3.652069      64.05987 3.765110 62.78009 2.908621 1.279778       4.757743 
1 1 1 2  20 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  20 38 o 35.20175 9.632589 18.86607       9.748297      12.41916       11.38482      25.31298       15.83390      31.11046 12.32844 39.29305 14.80394 -8.182587      19.26518 
1 1 1 2  20 39 o 28.69211 7.821327 10.38590       6.707621      17.59794       10.13795      3.180240       8.784801      34.41344 11.98340 22.97079 10.05439 11.44266       15.64265 
1 1 1 2  20 40 o 25.31260 7.474378 8.303054       6.347728      9.918325       9.011506      6.680700       8.940661      26.46967 10.78544 24.15552 10.35083 2.314150       14.94876 
1 1 1 2  20 41 o 48.50102 6.877938 34.61496       6.551054      42.40792       9.528677      26.81490       8.990252      56.23123 8.472763 40.77081 10.83681 15.46042       13.75588 
1 1 1 2  21 0  o 710.1616 7.633561 5050.553       108.3931      5050.553       108.3931      5050.553       108.3931      710.1616 7.633561 710.1616 7.633561 0.000000       0.000000 
1 1 1 2  21 1  o 210.1349 2.824992 441.8614       11.87365      449.0168       16.91783      434.7060       16.66279      211.8365 3.993133 208.4333 3.997150 3.403198       5.649984 
1 1 1 2  21 2  o 206.5376 2.806857 426.8422       11.59735      423.0874       16.21646      430.5970       16.57777      205.6300 3.943118 207.4452 3.995699 -1.815231      5.613714 
1 1 1 2  21 3  o 283.7767 2.920726 806.2181       16.57777      816.8449       23.56311      794.8829       23.32223      285.7106 4.123598 281.8429 4.137453 3.867645       5.841453 
1 1 1 2  21 4  o 415.2139 3.515364 1725.788       29.19530      1745.625       41.64280      1705.952       40.92726      417.5991 4.985978 412.8288 4.956930 4.770355       7.030727 
1 1 1 2  21 5  o 37.62071 8.932956 13.22680       8.005506      16.35107       11.54776      10.09544       11.09435      40.54917 12.77457 34.69225 12.49004 5.856918       17.86591 
1 1 1 2  21 6  o 325.0438 4.059608 1059.135       26.26231      1003.168       39.82915      1114.395       34.23239      316.4542 6.293037 333.6335 5.130239 -17.17926      8.119217 
1 1 1 2  21 7  o 132.7467 2.917977 176.3336       7.743378      173.1456       10.82514      179.5925       11.08727      131.5338 4.114965 133.9596 4.138288 -2.425812      5.835955 
1 1 1 2  21 8  o 292.5360 2.838236 856.5182       16.60611      838.0985       23.08136      874.9379       23.88899      289.3915 3.987912 295.6805 4.039664 -6.289001      5.676471 
1 1 1 2  21 9  o 342.7010 3.069222 1175.322       21.04102      1205.076       30.25089      1146.275       29.25198      346.9854 4.359102 338.4166 4.321888 8.568817       6.138443 
1 1 1 2  21 10 o 402.7896 3.396658 1624.480       27.36749      1587.641       37.90925      1661.319       39.48910      398.2260 4.759766 407.3531 4.847036 -9.127075      6.793315 
1 1 1 2  21 11 o 173.7251 2.582747 302.0838       8.976085      291.9530       12.39791      312.2856       12.98592      170.8022 3.629317 176.6480 3.675649 -5.845795      5.165495 
1 1 1 2  21 12 o 276.7219 3.199237 767.2533       17.71129      758.0435       24.64704      775.7547       25.43342      275.1281 4.479192 278.3156 4.569169 -3.187439      6.398474 
1 1 1 2  21 13 o 368.5148 3.199271 1360.936       23.57727      1376.522       33.59478      1344.641       33.09887      370.6725 4.531599 366.3571 4.517296 4.315399       6.398543 
1 1 1 2  21 14 o 147.2904 2.633810 217.4239       7.757547      230.0343       11.12978      204.8134       10.80389      151.5683 3.671540 143.0126 3.777251 8.555649       5.267621 
1 1 1 2  21 15 f 139.1647 3.028078 194.7534       8.423491      218.2740       12.38374      171.2328       11.42024      147.6046 4.194903 130.7249 4.368043 16.87961       6.056155 
1 1 1 2  21 16 o 92.41112 3.552558 85.65182       6.562388      86.99788       9.117774      84.30576       9.443663      93.14413 4.894444 91.67810 5.150446 1.466034       7.105116 
1 1 1 2  21 17 o 115.3843 3.102699 133.6140       7.148279      141.5487       10.06710      125.6085       10.15211      118.8392 4.235597 111.9294 4.535051 6.909790       6.205399 
1 1 1 2  21 18 o 40.87617 6.467139 17.69713       5.191535      13.84315       6.991711      21.55110       7.679617      36.31388 9.513153 45.43847 8.763301 -9.124584      12.93428 
1 1 1 2  21 19 o 106.7230 3.009249 114.2733       6.424950      115.1943       9.316141      113.2814       8.848563      107.1629 4.346718 106.2831 4.162735 0.8798676      6.018498 
1 1 1 2  21 20 o 145.7834 2.789774 213.2440       8.154280      206.7971       10.28672      219.6909       12.66003      143.6192 3.581247 147.9476 4.278554 -4.328323      5.579548 
1 1 1 2  21 21 o 271.5194 3.188123 741.0406       17.31456      748.1251       24.64704      733.2476       24.32115      272.8808 4.516080 270.1581 4.501282 2.722778       6.376246 
1 1 1 2  21 22 o 115.5482 3.301896 134.7475       7.615856      117.6738       10.44258      151.8212       11.08019      108.1778 4.826583 122.9186 4.507122 -14.74088      6.603791 
1 1 1 2  21 23 o 170.4882 2.754000 291.8821       9.394071      293.3699       14.31781      290.4652       12.16412      170.8547 4.190054 170.1217 3.575122 0.7330170      5.507999 
1 1 1 2  21 24 o 23.12493 6.293780 2.431407       4.439159      6.851437       6.006963      -1.988624      6.536885      26.93235 9.239015 19.31751 8.549111 7.614838       12.58756 
1 1 1 2  21 25 o 148.3628 2.774858 221.3203       8.232210      223.9416       11.45567      218.6282       11.82406      149.2705 3.837217 147.4551 4.009378 1.815430       5.549716 
1 1 1 2  21 26 o 69.30936 4.087897 48.59270       5.650611      50.39926       7.431659      46.79324       8.508506      70.66246 5.258563 67.95627 6.260281 2.706192       8.175794 
1 1 1 2  21 27 o 143.2252 2.865963 206.6554       8.189702      219.3367       11.43441      193.9741       11.73196      147.6641 3.871765 138.7862 4.226630 8.877823       5.731925 
1 1 1 2  21 28 o 121.0391 3.687272 148.2789       8.933578      150.0501       13.60227      146.5078       11.58319      121.6543 5.590546 120.4240 4.809334 1.230240       7.374544 
1 1 1 2  21 29 o 95.75569 4.953178 94.29493       9.479085      95.14508       12.78755      93.37395       13.99901      96.33897 6.636751 95.17240 7.354551 1.166573       9.906356 
1 1 1 2  21 30 o 68.37804 4.245203 47.71423       5.824182      46.29024       7.127024      49.13822       9.209873      67.51129 5.278395 69.24480 6.650227 -1.733505      8.490405 
1 1 1 2  21 31 o 61.31474 3.918627 38.39100       4.812513      36.44276       6.475958      40.34633       7.119940      59.78296 5.416224 62.84653 5.664545 -3.063580      7.837255 
1 1 1 2  21 32 f 53.91037 4.381892 30.33591       4.563846      37.49126       6.144402      23.17346       6.749420      60.62112 5.067873 47.19963 7.149866 13.42149       8.763784 
1 1 1 2  21 33 o 112.5213 3.569982 130.4968       8.140111      147.7830       13.13470      113.2106       9.627860      119.7528 5.484088 105.2898 4.572075 14.46296       7.139964 
1 1 1 2  21 34 o 35.50752 5.311864 13.86440       3.657736      13.53143       5.027883      14.19737       5.314096      35.11732 7.391386 35.89773 7.630926 -0.7804070     10.62373 
1 1 1 2  21 35 o 54.32730 3.375144 30.69013       3.732124      35.25965       6.127400      26.12062       4.264171      58.20502 5.263635 50.44958 4.226171 7.755440       6.750288 
1 1 1 2  21 36 o 41.26996 4.249099 18.80231       3.449452      25.34132       5.557804      12.27038       4.087767      49.05917 5.664389 33.48076 6.335145 15.57841       8.498199 
1 1 1 2  21 37 o 16.89108 4.736688 1.145567       2.655986      -1.669821      4.130274      3.960245       3.340350      14.33076 6.524700 19.45139 6.868271 -5.120638      9.473376 
1 1 1 2  21 38 o 27.53745 6.336127 8.855647       5.124940      9.762465       9.833311      7.948828       2.887649      28.33945 11.37639 26.73546 5.582458 1.603989       12.67225 
1 1 1 2  21 39 o 29.01264 7.643495 10.94558       6.758630      21.99034       10.13086      -0.9875818E-01 8.947746      37.32568 11.98758 20.69959 9.486302 16.62609       15.28699 
1 1 1 2  21 40 o 24.68365 7.089690 6.536176       6.228708      -2.704161      8.869816      15.77722       8.742295      18.66457 8.843105 30.70272 11.08397 -12.03816      14.17938 
1 1 1 2  22 0  o 394.2390 4.795117 1555.760       37.79590      1555.760       37.79590      1555.760       37.79590      394.2390 4.795117 394.2390 4.795117 0.000000       0.000000 
1 1 1 2  22 1  o 184.4392 2.715399 340.4111       10.01751      339.9152       14.16195      340.9070       14.16904      184.3048 3.841991 184.5737 3.838315 -0.2688141     5.430797 
1 1 1 2  22 2  o 122.4447 3.083694 150.1918       7.545012      157.7722       10.74721      142.5405       10.59844      125.5539 4.279921 119.3356 4.440604 6.218323       6.167388 
1 1 1 2  22 3  o 374.8576 3.261037 1406.277       24.44867      1389.982       34.18988      1423.280       34.96209      372.6411 4.587508 377.0741 4.635971 -4.432983      6.522074 
1 1 1 2  22 4  o 395.6982 3.371969 1567.804       26.68738      1563.553       37.61879      1571.346       37.85966      395.2072 4.759375 396.1893 4.777977 -0.9820251     6.743939 
1 1 1 2  22 5  o 140.7284 2.814072 198.2957       7.913406      208.7807       11.20062      187.8814       11.17937      144.4410 3.877232 137.0158 4.079592 7.425201       5.628144 
1 1 1 2  22 6  o 115.4519 3.068271 133.4723       7.084518      126.3878       9.812057      140.6277       10.22296      112.3705 4.365940 118.5332 4.312276 -6.162712      6.136543 
1 1 1 2  22 7  o 170.4178 2.643695 290.7486       9.011506      302.5797       12.93633      278.9174       12.54668      173.8871 3.719750 166.9484 3.757653 6.938736       5.287390 
1 1 1 2  22 8  f 477.0345 3.851584 2279.089       36.74739      2303.885       52.45377      2255.002       51.48319      479.5890 5.468617 474.4801 5.425221 5.108887       7.703168 
1 1 1 2  22 9  o 312.9510 3.196160 981.2057       19.97126      1006.710       26.79365      954.9930       29.62745      317.1031 4.224753 308.7988 4.797209 8.304260       6.392320 
1 1 1 2  22 10 o 320.3183 2.977218 1027.255       19.07861      1049.926       27.35332      1005.293       26.59528      323.7954 4.223859 316.8412 4.196941 6.954163       5.954436 
1 1 1 2  22 11 o 27.78419 6.648294 4.541884       5.284342      -4.884067      7.289969      13.97067       7.651280      18.92606 8.630671 36.64233 10.11488 -17.71628      13.29659 
1 1 1 2  22 12 o 241.1867 3.416135 583.1266       16.51401      570.2328       20.54510      596.0205       25.86557      238.5770 4.305759 243.7965 5.304748 -5.219467      6.832270 
1 1 1 2  22 13 o 181.3075 3.343481 329.5717       12.07910      339.9860       15.20337      319.1575       18.77397      184.2232 4.126347 178.3918 5.262007 5.831421       6.686962 
1 1 1 2  22 14 o 95.06622 3.613468 90.61098       6.868440      91.81535       9.578268      89.47746       9.847479      95.68491 5.005109 94.44753 5.213202 1.237381       7.226935 
1 1 1 2  22 15 o 119.0974 3.190611 142.1863       7.594603      145.8702       10.69054      138.5732       10.79680      120.6307 4.431103 117.5642 4.591876 3.066437       6.381222 
1 1 1 2  22 16 o 301.4620 3.093903 911.0690       18.71021      944.3662       28.86941      878.4802       23.80398      306.8519 4.704128 296.0721 4.019964 10.77982       6.187805 
1 1 1 2  22 17 o 133.6641 2.609102 179.0258       6.974000      180.0884       9.705790      177.9631       10.01751      134.0659 3.619782 133.2623 3.758568 0.8036194      5.218204 
1 1 1 2  22 18 o 26.89308 6.816708 6.176282       4.709787      4.259212       6.439118      8.090520       6.876233      24.58261 9.388208 29.20355 9.885928 -4.620934      13.63342 
1 1 1 2  22 19 o 48.59320 5.368588 25.36257       4.887609      14.92708       6.539010      35.80515       7.268716      37.58503 8.837651 59.60138 6.097775 -22.01635      10.73718 
1 1 1 2  22 20 o 144.1202 2.615152 208.3557       7.537927      212.6064       10.66220      204.1758       10.65512      145.5824 3.661911 142.6579 3.734499 2.924530       5.230303 
1 1 1 2  22 21 o 111.7494 2.791247 125.3251       6.235793      126.9546       8.728126      123.7665       8.912323      112.4670 3.880304 111.0317 4.013413 1.435326       5.582495 
1 1 1 2  22 22 o 104.8646 3.045964 111.0852       6.395903      125.7502       9.557014      96.34944       8.501422      111.8406 4.272605 97.88854 4.342399 13.95206       6.091928 
1 1 1 2  22 23 o 173.6795 4.124481 304.6343       14.34615      301.7296       13.61644      307.6097       25.24922      173.3112 3.928323 174.0479 7.253528 -0.7366943     8.248962 
1 1 1 2  22 24 o 30.56603 8.371681 6.402279       7.403321      8.912323       9.939578      3.894360       10.97392      32.05104 11.79409 29.08102 11.88443 2.970018       16.74336 
1 1 1 2  22 25 o 177.8270 3.686209 319.2284       13.12053      307.3264       17.87424      331.2012       19.21321      174.5299 5.120680 181.1240 5.303883 -6.594101      7.372418 
1 1 1 2  22 26 o 89.19452 3.877960 80.55096       6.945662      84.44745       10.78972      76.65448       8.749379      91.26862 5.910970 87.12043 5.021428 4.148186       7.755920 
1 1 1 2  22 27 o 46.78143 6.614857 23.56311       5.987126      20.43883       8.026759      26.68029       8.883986      43.56052 9.477626 50.00234 9.230382 -6.441818      13.22971 
1 1 1 2  22 28 o 89.86868 4.053795 82.32210       7.282885      82.46378       9.868733      82.10956       10.71888      90.03706 5.480372 89.70030 5.974827 0.3367615      8.107591 
1 1 1 2  22 29 o 94.60637 3.671353 90.89436       6.957705      93.16142       10.54176      88.55647       9.082352      95.71825 5.506663 93.49449 4.857159 2.223755       7.342706 
1 1 1 2  22 30 o 76.54280 3.983402 59.87126       6.116773      63.39935       9.301972      56.33609       7.948828      78.72427 5.907944 74.36133 5.344733 4.362946       7.966805 
1 1 1 2  22 31 o 43.90931 6.805085 21.36691       5.823474      18.91566       8.189702      23.82524       8.281801      41.17227 10.02527 46.64634 9.204924 -5.474075      13.61017 
1 1 1 2  22 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  22 33 o 29.31372 6.522712 9.415324       4.288967      10.10961       5.789468      8.721042       6.330016      30.15478 8.956293 28.47265 9.485141 1.682127       13.04542 
1 1 1 2  22 34 o 66.34801 3.333865 45.53220       4.411529      39.22697       6.027507      51.84450       6.443369      61.65874 4.887797 71.03728 4.535203 -9.378540      6.667730 
1 1 1 2  22 35 f 41.24288 5.043203 18.63937       4.054470      15.14670       5.438076      22.13203       6.014756      36.84166 7.637009 45.64410 6.588754 -8.802448      10.08641 
1 1 1 2  22 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  22 37 o 50.03979 3.336934 26.56694       3.355228      27.91300       5.361563      25.22797       4.034633      50.96004 5.260556 49.11953 4.106954 1.840511       6.673869 
1 1 1 2  22 38 o 33.61630 3.876622 12.48292       2.507919      11.79572       3.929782      13.17720       3.117188      31.98894 6.368336 35.24366 4.422339 -3.254715      7.753243 
1 1 1 2  22 39 o 16.12575 5.185794 -1.710911      4.500794      -4.832349      8.572267      1.410527       2.734624      17.77751 8.511372 14.47400 5.926752 3.303507       10.37159 
1 1 1 2  23 0  o 84.68246 5.339356 72.61631       8.969000      72.61631       8.969000      72.61631       8.969000      84.68246 5.339356 84.68246 5.339356 -0.000000      0.000000 
1 1 1 2  23 1  o 169.9455 2.717969 289.1192       9.238212      282.1055       12.96467      296.0620       13.16303      167.8934 3.860982 171.9975 3.826519 -4.104141      5.435939 
1 1 1 2  23 2  f 350.2007 3.147717 1227.747       22.04702      1217.120       30.92392      1238.374       31.43401      348.6865 4.434344 351.7148 4.468678 -3.028351      6.295434 
1 1 1 2  23 3  o 363.2343 3.196515 1321.263       23.22305      1321.263       32.75881      1320.554       32.92175      363.2840 4.508705 363.1844 4.532374 0.9957886E-01  6.393031 
1 1 1 2  23 4  o 66.75812 4.472503 44.68914       5.966581      46.39651       8.373900      42.98177       8.501422      68.03809 6.153832 65.47814 6.491801 2.559952       8.945006 
1 1 1 2  23 5  o 389.0393 3.349535 1516.087       26.06394      1514.670       36.76865      1516.795       36.94576      388.9041 4.727213 389.1745 4.746683 -0.2704468     6.699071 
1 1 1 2  23 6  o 274.2660 2.795950 753.0842       15.33798      754.5012       21.66446      751.6674       21.71405      274.5247 3.945812 274.0074 3.962311 0.5173340      5.591899 
1 1 1 2  23 7  o 290.0315 2.862443 842.3492       16.60611      848.0168       23.58436      836.6816       23.37891      291.0068 4.052200 289.0562 4.044008 1.950623       5.724886 
1 1 1 2  23 8  o 155.0645 3.082801 240.8736       9.564099      240.2360       13.51017      241.5112       13.53143      154.8591 4.362086 155.2699 4.357390 -0.4107513     6.165601 
1 1 1 2  23 9  o 177.7065 3.782263 316.8196       13.43933      303.3590       18.83773      330.2802       19.17071      173.9235 5.415523 181.4894 5.281494 -7.565948      7.564527 
1 1 1 2  23 10 o 184.6482 3.003311 341.5446       11.08727      338.6400       15.63553      344.5201       15.73471      183.8531 4.252180 185.4432 4.242461 -1.590118      6.006622 
1 1 1 2  23 11 o 310.6691 3.777344 968.4536       23.46392      964.9113       36.09562      971.2875       29.98168      310.0692 5.820576 311.2691 4.816038 -1.199982      7.554689 
1 1 1 2  23 12 o 31.81374 7.164392 9.861650       5.238293      12.53251       7.297054      7.190785       7.516674      34.79005 9.970610 28.83743 10.29082 5.952623       14.32878 
1 1 1 2  23 13 o 153.1983 2.667190 235.1351       8.175533      227.6256       11.27147      242.7156       11.84531      150.7425 3.738649 155.6541 3.805011 -4.911621      5.334380 
1 1 1 2  23 14 o 140.9494 2.671843 199.1458       7.530843      208.2140       10.66928      190.0776       10.61969      144.1656 3.700358 137.7332 3.855169 6.432404       5.343686 
1 1 1 2  23 15 o 110.4826 2.932391 122.3496       6.483042      119.5158       8.876901      125.2543       9.450747      109.1928 4.064785 111.7725 4.227670 -2.579758      5.864782 
1 1 1 2  23 16 o 116.2776 2.878002 135.7394       6.695578      126.5295       9.153197      144.9492       9.776634      112.3280 4.074315 120.2272 4.065899 -7.899185      5.756003 
1 1 1 2  23 17 o 39.09718 6.250301 15.96850       4.957037      21.54402       6.835143      10.38590       7.183701      46.16244 7.403360 32.03193 10.07250 14.13050       12.50060 
1 1 1 2  23 18 o 36.11944 6.479218 13.65895       4.952078      19.74455       6.800429      7.580434       7.197870      43.43198 8.129763 28.80690 10.09099 14.62508       12.95844 
1 1 1 2  23 19 o 56.25008 5.542549 32.98552       5.860313      40.88475       7.941744      25.08628       8.621859      63.65018 6.238587 48.84998 9.162938 14.80020       11.08510 
1 1 1 2  23 20 f 85.86481 3.798667 74.74166       6.522716      62.93177       8.650196      86.57281       9.769550      79.02082 5.473365 92.70881 5.268944 -13.68799      7.597335 
1 1 1 2  23 21 o 35.59416 6.598908 13.17720       5.474207      2.410153       7.112856      23.94567       8.324308      23.57273 9.589785 47.61559 9.067435 -24.04285      13.19782 
1 1 1 2  23 22 o 116.2479 3.078305 135.9519       7.134109      141.7612       9.401155      130.1426       10.72596      118.7890 3.957083 113.7069 4.716496 5.082092       6.156610 
1 1 1 2  23 23 o 27.76075 7.227431 6.349145       5.352353      7.722124       7.068932      4.975457       8.040927      28.67870 10.00457 26.84279 10.43320 1.835913       14.45486 
1 1 1 2  23 24 o 123.9879 2.796870 154.7967       6.947078      142.9656       9.323226      166.6279       10.30089      119.2505 3.909092 128.7252 4.001116 -9.474648      5.593740 
1 1 1 2  23 25 o 114.1390 3.228551 131.3470       7.374983      130.2134       9.479085      132.4805       11.29981      113.7239 4.167589 114.5542 4.932077 -0.8303833     6.457103 
1 1 1 2  23 26 o 89.16493 4.329973 80.90520       7.644195      85.72267       9.323226      76.08772       12.12161      92.05599 5.063889 86.27387 7.025076 5.782120       8.659945 
1 1 1 2  23 27 o 64.77251 6.956440 44.34200       8.997337      40.96976       12.55377      47.70714       12.90091      62.22092 10.08806 67.32410 9.581195 -5.103188      13.91288 
1 1 1 2  23 28 f 32.95967 8.181635 10.73304       6.697703      9.571183       9.224042      11.89491       9.712874      31.73020 11.39214 34.18914 11.74630 -2.458942      16.36327 
1 1 1 2  23 29 o 95.47540 3.552119 92.66550       6.773507      90.96520       10.10961      94.36578       9.018591      94.49563 5.349246 96.45517 4.675017 -1.959541      7.104239 
1 1 1 2  23 30 o 155.3332 2.623343 243.8491       8.140111      254.0508       11.46984      233.7182       11.56193      158.6120 3.615689 152.0544 3.801908 6.557648       5.246686 
1 1 1 2  23 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  23 32 o 33.76023 7.086560 12.97884       5.180908      15.84807       7.863815      10.10252       6.748711      37.18064 10.25042 30.33982 9.788068 6.840822       14.17312 
1 1 1 2  23 33 o 38.88825 6.920362 17.69713       5.698786      25.51843       8.175533      9.882903       7.934660      47.64271 8.910303 30.13380 10.59113 17.50891       13.84072 
1 1 1 2  23 34 o 70.70012 4.015923 52.61671       5.528758      60.69307       7.025008      44.54745       8.536844      76.71872 4.578418 64.68152 6.599137 12.03720       8.031845 
1 1 1 2  23 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  23 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  23 37 o 27.87023 5.680803 9.670367       3.387816      11.62569       5.479167      7.722124       3.986458      30.34576 8.621655 25.39470 7.399538 4.951059       11.36161 
1 1 1 2  23 38 o 49.85488 3.266657 26.84324       3.261003      27.55169       4.940034      26.13479       4.257795      50.27147 4.913357 49.43829 4.306172 0.8331871      6.533314 
1 1 1 2  23 39 f 43.06271 2.621428 19.76581       2.257836      19.90749       3.176698      19.62411       3.208578      43.24138 3.673215 42.88403 3.740995 0.3573570      5.242857 
1 1 1 2  24 0  o 189.9237 3.810078 361.3813       14.45950      361.3813       14.45950      361.3813       14.45950      189.9237 3.810078 189.9237 3.810078 0.000000       0.000000 
1 1 1 2  24 1  o 208.9543 2.699455 437.1856       11.27855      443.7742       16.11019      430.6678       15.79847      210.5197 3.826291 207.3889 3.808900 3.130783       5.398910 
1 1 1 2  24 2  o 172.3202 2.897342 297.4789       10.01042      309.0266       15.23171      286.0020       12.99301      175.6395 4.336074 169.0009 3.844064 6.638550       5.794684 
1 1 1 2  24 3  o 77.07167 4.000260 59.60913       6.156446      62.28708       8.579351      56.93119       8.834394      78.81237 5.442896 75.33097 5.863719 3.481400       8.000520 
1 1 1 2  24 4  o 151.7077 3.128110 230.6719       9.493254      221.7454       13.20554      239.5984       13.63770      148.7703 4.438231 154.6451 4.409352 -5.874802      6.256219 
1 1 1 2  24 5  o 90.69537 4.010592 82.53463       7.268716      85.01421       10.23713      80.05505       10.32923      92.06364 5.559811 89.32711 5.781687 2.736534       8.021185 
1 1 1 2  24 6  o 218.6635 3.039811 479.1968       13.29764      462.9733       18.34182      495.3495       19.26280      214.9719 4.266097 222.3552 4.331539 -7.383331      6.079623 
1 1 1 2  24 7  f 126.1679 3.307527 159.5433       8.345562      159.6142       11.89491      159.4725       11.71071      126.1937 4.712955 126.1420 4.641875 0.5169678E-01  6.615055 
1 1 1 2  24 8  o 81.79973 3.829724 67.12581       6.264131      68.00429       8.806056      66.24732       8.912323      82.33825 5.347488 81.26122 5.483750 1.077034       7.659448 
1 1 1 2  24 9  o 192.2772 2.645029 370.3786       10.17337      358.9725       14.14070      381.7846       14.62953      189.3163 3.734675 195.2380 3.746588 -5.921753      5.290059 
1 1 1 2  24 10 o 76.82403 3.877287 59.36826       5.940369      53.67939       8.331393      65.05712       8.473083      73.12383 5.696771 80.52423 5.261201 -7.400406      7.754575 
1 1 1 2  24 11 o 26.43032 7.369428 3.927657       5.774590      4.906737       7.885069      2.948576       8.437660      26.93762 10.36009 25.92302 10.48343 1.014595       14.73886 
1 1 1 2  24 12 o 102.2182 3.180779 104.7800       6.502170      106.7637       9.082352      102.7963       9.301972      103.1918 4.400714 101.2445 4.593816 1.947273       6.361559 
1 1 1 2  24 13 o 96.05122 3.239894 92.52380       6.225166      90.04422       8.628942      95.07423       8.976085      94.74785 4.553635 97.35460 4.609995 -2.606750      6.479787 
1 1 1 2  24 14 o 140.7351 2.885980 198.7207       8.147196      189.7234       10.47800      207.7180       12.48292      137.5728 3.808166 143.8973 4.337440 -6.324509      5.771959 
1 1 1 2  24 15 o 29.68130 7.483455 7.665448       5.681075      5.110063       7.750463      10.21588       8.310139      26.88640 10.29063 32.47620 10.86790 -5.589808      14.96691 
1 1 1 2  24 16 o 104.3574 3.529925 109.5975       7.353730      116.0444       10.31506      103.1506       10.48509      107.4509 4.799893 101.2638 5.177113 6.187088       7.059849 
1 1 1 2  24 17 o 82.99635 4.015565 69.42119       6.665823      67.49420       9.330310      71.34109       9.521592      81.84396 5.700060 84.14875 5.657596 -2.304787      8.031131 
1 1 1 2  24 18 o 107.6301 3.420635 116.5403       7.360813      115.4776       10.08835      117.5322       10.73304      107.1718 4.706625 108.0883 4.964942 -0.9164658     6.841269 
1 1 1 2  24 19 o 41.70127 6.309278 18.42683       5.111480      19.70913       6.944952      17.15162       7.502505      43.28215 8.319722 40.12039 9.487370 3.161762       12.61856 
1 1 1 2  24 20 o 89.32487 3.266808 80.26759       5.839059      78.77983       8.012589      81.82619       8.494337      88.48882 4.527459 90.16094 4.710652 -1.672127      6.533616 
1 1 1 2  24 21 o 123.0489 2.822294 152.5297       6.934327      166.6279       9.975000      138.3606       9.634944      128.7814 3.872844 117.3165 4.106391 11.46490       5.644587 
1 1 1 2  24 22 o 87.36195 3.433936 77.00871       5.994210      79.48829       8.352647      74.45828       8.600604      88.81193 4.702435 85.91197 5.005475 2.899956       6.867873 
1 1 1 2  24 23 o 102.5292 3.404889 106.0552       6.979667      102.3713       9.889987      109.7392       9.847479      100.7308 4.909117 104.3277 4.719496 -3.596863      6.809778 
1 1 1 2  24 24 o 134.8245 2.919082 183.2765       7.877984      168.7532       10.64803      197.7997       11.61861      129.4777 4.111916 140.1713 4.144431 -10.69362      5.838164 
1 1 1 2  24 25 o 82.19322 4.580791 69.45662       7.410406      81.96787       10.32214      56.93827       10.64095      89.83054 5.745341 74.55591 7.136220 15.27464       9.161581 
1 1 1 2  24 26 o 106.5015 3.624187 115.1234       7.715039      117.6738       10.66220      112.5730       11.15103      107.7343 4.948380 105.2688 5.296458 2.465500       7.248374 
1 1 1 2  24 27 o 53.78024 5.250246 29.82582       5.627233      31.17188       7.509589      28.47976       8.380984      55.12162 6.811836 52.43887 7.991196 2.682755       10.50049 
1 1 1 2  24 28 o 72.26561 4.195156 55.06087       5.811430      74.03321       8.388069      36.06728       8.048012      85.36800 4.912889 59.16322 6.801534 26.20478       8.390312 
1 1 1 2  24 29 o 76.73444 4.265097 61.35192       6.663697      47.16164       7.771716      75.52096       10.82514      67.84274 5.727744 85.62615 6.321167 -17.78342      8.530193 
1 1 1 2  24 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  24 31 o 53.85579 5.831428 31.82365       5.857479      23.56311       8.678535      40.08420       7.870899      45.64953 9.788360 62.06204 6.341154 -16.41251      11.66286 
1 1 1 2  24 32 o 31.22762 6.294593 10.23004       4.738125      17.76089       6.506421      2.699201       6.889693      39.84001 8.425165 22.61524 9.354367 17.22477       12.58919 
1 1 1 2  24 33 o 61.55586 4.138475 39.89292       5.086684      41.18230       7.002337      38.60354       7.382068      62.68842 5.585033 60.42330 6.108627 2.265121       8.276951 
1 1 1 2  24 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  24 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  24 36 o 61.30137 3.962773 40.75723       4.855020      40.11962       5.925491      41.39484       7.693786      61.44336 4.821914 61.15939 6.289947 0.2839661      7.925546 
1 1 1 2  24 37 o 19.07299 5.567107 3.003835       3.465746      3.384274       4.643193      2.623397       5.145485      19.22306 7.775618 18.92291 7.969347 0.3001556      11.13421 
1 1 1 2  24 38 o 27.63947 4.982999 9.996255       3.339642      18.18596       5.131316      1.800884       4.276215      38.49199 6.916951 16.78694 7.174741 21.70506       9.965999 
1 1 1 2  25 0  o 16.78560 11.24249 -2.892608      10.13795      -2.892608      10.13795      -2.892608      10.13795      16.78560 11.24249 16.78560 11.24249 0.000000       0.000000 
1 1 1 2  25 1  o 163.7909 3.142553 268.8575       10.29380      272.9665       14.69329      264.7484       14.42408      165.0420 4.451378 162.5397 4.437093 2.502289       6.285107 
1 1 1 2  25 2  o 43.23007 7.180518 19.70913       6.129525      16.70529       8.494337      22.71296       8.834394      39.91198 10.49956 46.54816 9.797889 -6.636185      14.36104 
1 1 1 2  25 3  o 185.6764 3.058718 345.5119       11.36357      337.3647       15.81264      353.6591       16.31564      183.4884 4.308895 187.8643 4.342401 -4.375916      6.117435 
1 1 1 2  25 4  o 269.0023 2.827366 724.7462       15.21046      748.1251       21.85574      702.0757       21.16854      273.2743 3.998865 264.7303 3.998132 8.543915       5.654731 
1 1 1 2  25 5  o 86.35075 3.590366 75.02505       6.182659      83.95154       8.926493      66.14814       8.558097      91.49976 4.877877 81.20174 5.269651 10.29803       7.180732 
1 1 1 2  25 6  o 197.8578 2.683566 392.2698       10.61969      378.5258       14.67204      406.0137       15.36632      194.3924 3.773819 201.3231 3.816333 -6.930664      5.367132 
1 1 1 2  25 7  o 238.0466 2.736811 567.8242       13.02843      583.7643       18.68187      551.8840       18.17179      241.3887 3.869667 234.7046 3.871203 6.684021       5.473622 
1 1 1 2  25 8  o 138.6330 3.303734 192.8406       9.153197      185.1893       13.02134      200.4210       12.86548      135.8839 4.791350 141.3821 4.549899 -5.498215      6.607467 
1 1 1 2  25 9  o 249.7900 2.759960 625.2795       13.79356      613.8735       19.22029      636.6856       19.77997      247.5142 3.882666 252.0658 3.923574 -4.551590      5.519921 
1 1 1 2  25 10 o 85.78280 3.602929 74.24575       6.123857      85.08506       8.593520      63.42060       8.728126      92.09897 4.665373 79.46663 5.491693 12.63234       7.205858 
1 1 1 2  25 11 o 108.5304 4.020568 118.3823       8.728126      118.0281       10.56302      118.7365       13.89982      108.4405 4.870421 108.6204 6.398350 -0.1799011     8.041137 
1 1 1 2  25 12 o 89.27953 3.996732 80.19674       7.134109      80.97604       9.897071      79.34660       10.27963      89.74538 5.513973 88.81368 5.787191 0.9316940      7.993465 
1 1 1 2  25 13 o 225.8646 3.106067 512.2107       14.03443      502.2214       19.41866      522.1290       20.26880      223.6799 4.340726 228.0493 4.443953 -4.369431      6.212135 
1 1 1 2  25 14 o 83.78555 4.090940 70.73183       6.857105      69.33617       9.472000      72.12038       9.918325      82.96912 5.708148 84.60199 5.861756 -1.632874      8.181879 
1 1 1 2  25 15 o 23.82452 6.637976 1.768296       5.043468      7.084518       6.968331      -3.550761      7.289969      28.06744 9.919134 19.58160 8.823925 8.485838       13.27595 
1 1 1 2  25 16 o 66.83510 3.990602 45.02211       5.330391      43.32891       7.580434      46.72239       7.495420      65.56288 5.781041 68.10732 5.502654 -2.544441      7.981205 
1 1 1 2  25 17 o 53.74594 5.038483 29.30865       5.411155      27.84216       7.594603      30.76806       7.715039      52.39081 7.248030 55.10107 7.000808 -2.710258      10.07697 
1 1 1 2  25 18 o 134.4424 2.975199 181.7887       7.984251      173.8541       11.66112      189.7234       10.90307      131.4677 4.434974 137.4171 3.967144 -5.949448      5.950397 
1 1 1 2  25 19 o 92.38885 3.312821 86.00604       6.111814      91.81535       8.721042      80.19674       8.572267      95.52766 4.564668 89.25003 4.802389 6.277634       6.625642 
1 1 1 2  25 20 f 145.8983 2.754011 214.0233       8.033843      218.3448       11.39190      209.7017       11.33523      147.3774 3.864874 144.4193 3.924417 2.958145       5.508021 
1 1 1 2  25 21 o 150.1324 2.744754 226.6337       8.239295      235.7019       11.71071      217.5655       11.59027      153.1485 3.823318 147.1163 3.939154 6.032242       5.489508 
1 1 1 2  25 22 o 70.32446 4.293627 50.32133       6.009089      55.88268       8.480167      44.75999       8.515590      74.28063 5.708196 66.36829 6.415405 7.912338       8.587254 
1 1 1 2  25 23 o 68.51041 5.092429 49.42868       6.768548      66.75033       10.09544      32.10704       9.018591      81.07721 6.225817 55.94361 8.060430 25.13359       10.18486 
1 1 1 2  25 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  25 25 o 35.42440 7.898736 13.34015       6.384568      9.436578       8.721042      17.24372       9.323226      31.28110 11.09246 39.56770 11.24799 -8.286600      15.79747 
1 1 1 2  25 26 o 95.21181 3.708134 92.59465       7.056180      106.9762       10.50634      78.28393       9.422408      102.6646 5.116825 87.75897 5.368345 14.90566       7.416268 
1 1 1 2  25 27 o 84.57114 3.688435 72.82884       6.241460      71.62447       8.458915      74.03321       9.181536      83.92204 5.039745 85.22023 5.386946 -1.298187      7.376870 
1 1 1 2  25 28 o 151.6860 2.736962 232.7264       8.303054      229.1841       11.49817      236.2687       11.98701      150.5544 3.818611 152.8176 3.921998 -2.263199      5.473925 
1 1 1 2  25 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  25 30 o 76.49602 3.672456 60.52304       5.595352      50.49844       7.601687      70.54763       8.210957      70.02351 5.427954 82.96852 4.948236 -12.94501      7.344912 
1 1 1 2  25 31 o 77.37591 4.122844 62.30125       6.375357      61.89035       7.785885      62.71215       10.10252      77.51051 5.022470 77.24130 6.539586 0.2692108      8.245688 
1 1 1 2  25 32 o 71.49417 4.793061 54.83417       6.806097      59.56663       9.294888      50.09462       9.946663      74.97647 6.198536 68.01187 7.312447 6.964600       9.586122 
1 1 1 2  25 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  25 34 o 59.30278 4.323123 38.03678       5.114314      40.20464       7.091603      35.87600       7.367898      61.21891 5.792003 57.38665 6.419524 3.832268       8.646247 
1 1 1 2  25 35 o 36.86324 5.786963 16.48567       4.181991      13.30472       5.668323      19.66662       6.150070      32.89991 8.541052 40.82656 7.810647 -7.926647      11.57393 
1 1 1 2  25 36 o 16.93710 5.475918 -1.180989      4.186242      -0.8834394     6.500753      -1.477830      5.277257      17.89448 8.157522 15.97971 7.307363 1.914762       10.95184 
1 1 1 2  25 37 o 32.98519 5.900938 14.48075       3.956703      15.00501       4.904612      13.96358       6.209579      34.66785 7.302760 31.30252 9.271136 3.365334       11.80188 
1 1 1 2  26 0  o 19.53679 11.46632 4.663030       7.410406      4.663030       7.410406      4.663030       7.410406      19.53679 11.46632 19.53679 11.46632 -0.000000      0.000000 
1 1 1 2  26 1  f 132.9610 3.307776 177.8922       8.791886      198.0123       12.92925      157.7014       11.92324      140.5253 4.600327 125.3967 4.754210 15.12863       6.615551 
1 1 1 2  26 2  o 136.6087 3.687814 187.2438       10.06710      188.2356       12.46875      186.3228       15.81264      137.0149 4.550144 136.2024 5.804832 0.8124847      7.375628 
1 1 1 2  26 3  o 122.2235 3.422069 149.9084       8.366816      145.8702       11.50526      153.8757       12.15703      120.5964 4.770149 123.8506 4.907942 -3.254196      6.844137 
1 1 1 2  26 4  o 133.3629 3.255425 178.4590       8.685618      168.7532       12.01534      188.2356       12.53960      129.7188 4.631303 137.0069 4.576263 -7.288132      6.510849 
1 1 1 2  26 5  o 125.9375 3.166563 159.3308       7.920490      173.8541       10.74013      144.8784       11.64695      131.7034 4.077394 120.1717 4.845961 11.53168       6.333125 
1 1 1 2  26 6  o 108.9360 3.132032 119.0907       6.818849      125.6085       9.691620      112.5730       9.592437      111.9260 4.329478 105.9460 4.527041 5.979980       6.264063 
1 1 1 2  26 7  o 98.62843 3.379692 97.76635       6.655904      105.6302       9.500339      89.90253       9.323226      102.6119 4.629260 94.64502 4.925365 7.966835       6.759383 
1 1 1 2  26 8  o 113.7655 4.095886 130.1426       9.337394      132.7639       14.48075      127.5213       11.78864      114.8547 6.303943 112.6763 5.231197 2.178452       8.191772 
1 1 1 2  26 9  o 253.0172 3.260533 642.5658       16.49984      642.0698       23.11678      643.1325       23.54894      252.9211 4.569960 253.1133 4.651856 -0.1922607     6.521066 
1 1 1 2  26 10 o 154.8662 3.908056 241.7237       12.08619      262.6230       17.36415      220.8244       16.81865      161.5990 5.372606 148.1335 5.676857 13.46553       7.816112 
1 1 1 2  26 11 o 82.75110 4.434904 69.13781       7.339560      64.31326       10.13086      73.96236       10.61969      79.85240 6.343492 85.64980 6.199485 -5.797401      8.869808 
1 1 1 2  26 12 o 152.1385 2.783744 232.3013       8.473083      225.1460       11.69654      239.5276       12.26330      149.7880 3.904364 154.4890 3.968988 -4.700974      5.567488 
1 1 1 2  26 13 o 128.4878 2.884303 165.7777       7.410406      167.7614       10.48509      163.7232       10.47800      129.2734 4.055393 127.7023 4.102511 1.571068       5.768606 
1 1 1 2  26 14 o 55.09023 4.982636 30.83182       5.475624      26.99201       7.545012      34.67163       7.934660      51.62175 7.307978 58.55870 6.774962 -6.936954      9.965273 
1 1 1 2  26 15 o 104.3713 3.184581 109.6683       6.645278      102.0879       9.160281      117.2488       9.634944      100.7544 4.545846 107.9882 4.461111 -7.233757      6.369162 
1 1 1 2  26 16 o 27.05914 7.172808 5.780967       5.247502      5.379983       7.339560      6.181951       7.502505      26.58052 10.06043 27.53775 10.22665 -0.9572277     14.34562 
1 1 1 2  26 17 o 64.30719 4.534709 42.35125       5.724998      51.58946       8.090520      33.11303       8.097604      71.49039 5.658466 57.12398 7.087745 14.36641       9.069419 
1 1 1 2  26 18 f 187.5290 2.707508 353.3758       10.15211      354.4384       14.26822      352.3131       14.45242      187.8182 3.798413 187.2398 3.859333 0.5783234      5.415015 
1 1 1 2  26 19 o 175.7207 2.726705 310.3727       9.578268      316.4654       13.50309      304.3509       13.59519      177.4474 3.804816 173.9941 3.906797 3.453293       5.453411 
1 1 1 2  26 20 o 157.2770 2.799382 248.8791       8.813140      240.2360       12.10036      257.4514       12.80881      154.5660 3.914300 159.9881 4.003052 -5.422012      5.598765 
1 1 1 2  26 21 o 48.30648 6.343626 24.59036       5.958079      28.09720       8.295970      21.08352       8.551013      52.36564 7.921197 44.24731 9.910651 8.118324       12.68725 
1 1 1 2  26 22 f 34.30953 8.084985 11.95158       6.510672      12.76630       9.018591      11.14395       9.394071      35.03938 11.31611 33.57967 11.55047 1.459709       16.16997 
1 1 1 2  26 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  26 24 o 19.35681 6.389016 -9.436578      6.298845      -16.24480      8.706873      -2.626231      9.103605      16.23730 7.951626 22.47631 10.00249 -6.239010      12.77803 
1 1 1 2  26 25 o 58.62802 5.235162 35.67055       6.126691      30.61220       8.303054      40.72181       9.011506      54.39482 7.632211 62.86122 7.167779 -8.466396      10.47032 
1 1 1 2  26 26 o 76.94244 4.549878 60.88435       7.002337      60.22548       9.649114      61.54321       10.15211      76.56976 6.300864 77.31511 6.565414 -0.7453461     9.099756 
1 1 1 2  26 27 o 85.53178 3.718192 74.81251       6.339935      79.48829       8.721042      70.13673       9.202788      88.31470 4.937480 82.74886 5.560674 5.565834       7.436384 
1 1 1 2  26 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  26 29 o 46.94302 5.838010 24.43450       5.286468      17.15162       7.119940      31.71739       7.814223      39.00102 9.254906 54.88503 7.118721 -15.88401      11.67602 
1 1 1 2  26 30 o 41.60875 6.339196 19.44700       5.229791      23.56311       7.254546      15.33090       7.537927      46.87135 7.738786 36.34614 10.04255 10.52521       12.67839 
1 1 1 2  26 31 o 31.36668 7.304174 11.59027       5.352353      9.231127       7.098687      13.94941       8.012589      28.71317 10.02474 34.02019 10.62583 -5.307026      14.60835 
1 1 1 2  26 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  26 33 o 21.11765 6.389389 -1.402735      5.489084      6.381733       6.942119      -9.188620      8.501422      24.94572 9.694509 17.28957 8.325483 7.656145       12.77878 
1 1 1 2  26 34 o 27.16769 7.111106 9.018591       5.124940      8.572267       7.025717      9.464915       7.459997      26.68410 9.899008 27.65127 10.21180 -0.9671688     14.22221 
1 1 1 2  26 35 o 33.97159 5.929268 14.55868       4.507170      8.076350       6.851437      21.03393       5.857479      25.25334 9.672556 42.68984 6.860507 -17.43649      11.85854 
1 1 1 2  26 36 o 15.71105 5.082735 -2.213203      3.751252      -6.779883      5.190118      2.354185       5.417531      12.83560 6.255121 18.58650 8.013127 -5.750900      10.16547 
1 1 1 2  27 0  o 117.8428 5.045858 139.9192       11.84531      139.9192       11.84531      139.9192       11.84531      117.8428 5.045858 117.8428 5.045858 0.000000       0.000000 
1 1 1 2  27 1  o 77.85402 3.912837 61.10397       6.065764      67.92635       8.614774      54.28866       8.543928      82.23167 5.238112 73.47638 5.814065 8.755287       7.825674 
1 1 1 2  27 2  o 99.23564 3.356850 98.89986       6.659447      104.7800       9.521592      93.09056       9.309056      102.1763 4.659394 96.29500 4.833614 5.881287       6.713701 
1 1 1 2  27 3  o 160.6159 3.029333 258.7974       9.719957      261.3478       12.68129      256.2470       14.74288      161.4479 3.927363 159.7840 4.613378 1.663834       6.058666 
1 1 1 2  27 4  o 129.5350 3.423676 168.5407       8.869816      166.5570       12.26330      170.4535       12.82298      128.7952 4.760777 130.2749 4.921508 -1.479706      6.847353 
1 1 1 2  27 5  o 83.03915 5.334533 69.79667       8.841478      75.09589       12.49000      64.49036       12.51126      86.23283 7.242023 79.84547 7.834670 6.387360       10.66907 
1 1 1 2  27 6  o 183.8734 3.866012 340.1277       14.22571      334.3184       19.57452      345.9370       20.63720      182.3226 5.368103 185.4242 5.564861 -3.101685      7.732025 
1 1 1 2  27 7  o 107.6079 5.606052 118.2406       12.34832      98.19141       13.60227      138.2189       20.61595      98.60083 6.897647 116.6149 8.839330 -18.01405      11.21210 
1 1 1 2  27 8  o 149.6888 3.243768 225.0751       9.712874      223.6582       13.55268      226.5629       13.91399      149.2128 4.541395 150.1647 4.632911 -0.9519501     6.487536 
1 1 1 2  27 9  o 131.1890 3.431241 173.0748       9.004422      174.1374       12.64586      171.9413       12.81589      131.6123 4.804212 130.7657 4.900326 0.8465424      6.862481 
1 1 1 2  27 10 o 61.40756 5.181882 38.44059       6.266964      44.80958       8.614774      32.07161       9.103605      66.61407 6.466182 56.20105 8.099142 10.41301       10.36376 
1 1 1 2  27 11 o 76.10611 4.215213 59.01403       6.317265      70.98687       8.954830      47.04120       8.912323      83.97051 5.332128 68.24171 6.529968 15.72881       8.430426 
1 1 1 2  27 12 o 39.06045 6.345490 16.08894       5.467831      27.30373       7.998421      4.878399       7.452912      51.86108 7.711391 26.25982 10.07946 25.60125       12.69098 
1 1 1 2  27 13 o 102.6596 3.245942 106.0552       6.660863      111.4395       9.479085      100.7418       9.358648      105.2607 4.502668 100.0584 4.676593 5.202354       6.491883 
1 1 1 2  27 14 o 149.8599 2.862548 225.7836       8.579351      216.1487       11.92324      235.4185       12.34123      146.6579 4.064986 153.0619 4.031452 -6.404007      5.725095 
1 1 1 2  27 15 o 61.65199 4.684044 38.68855       5.742710      33.23347       8.019674      44.14363       8.218040      57.23749 7.005613 66.06649 6.219522 -8.828999      9.368089 
1 1 1 2  27 16 o 52.86079 5.818053 29.38658       5.868815      36.45693       8.366816      22.31623       8.232210      59.90327 6.983604 45.81831 9.307428 14.08497       11.63611 
1 1 1 2  27 17 o 128.8252 3.024554 167.1238       7.792970      174.8459       11.12978      159.4016       10.90307      131.8137 4.221783 125.8366 4.332234 5.977104       6.049108 
1 1 1 2  27 18 o 172.7574 2.809481 300.1002       9.705790      303.9258       13.66603      296.2745       13.78647      173.8688 3.929986 171.6460 4.015961 2.222778       5.618961 
1 1 1 2  27 19 o 77.43450 4.227150 60.82767       6.539010      63.05929       9.075267      58.59605       9.415324      78.89555 5.751445 75.97346 6.196456 2.922089       8.454300 
1 1 1 2  27 20 o 122.9512 3.709941 153.7340       8.940661      177.6797       11.77447      129.7884       13.46058      132.7756 4.433973 113.1269 5.949332 19.64874       7.419883 
1 1 1 2  27 21 o 48.31739 9.883188 26.07811       10.37173      20.34674       15.47967      31.80240       13.80772      43.48974 14.83279 53.14504 13.06514 -9.655304      19.76638 
1 1 1 2  27 22 o 29.58341 8.151011 5.263088       7.339560      11.33523       10.17337      -0.8111773     10.57010      33.86356 11.98332 25.30325 11.05242 8.560312       16.30202 
1 1 1 2  27 23 o 141.7849 3.117489 203.3965       8.827310      216.7862       12.56793      190.0068       12.40499      146.4969 4.289488 137.0730 4.524959 9.423950       6.234979 
1 1 1 2  27 24 o 24.71440 7.442488 0.9833311      6.495085      2.192658       8.636027      -0.2257836     9.705790      24.89136 10.39512 24.53745 10.65382 0.3539124      14.88498 
1 1 1 2  27 25 o 41.03387 7.119552 18.83773       5.868815      14.36740       7.991336      23.30806       8.600604      36.04204 10.46844 46.02570 9.652138 -9.983658      14.23910 
1 1 1 2  27 26 o 38.85820 8.080682 16.76905       7.022882      21.41650       9.032760      12.11453       10.75430      43.52597 10.48525 34.19043 12.29835 9.335545       16.16136 
1 1 1 2  27 27 o 26.21514 7.993587 1.994292       7.757547      2.043883       13.01426      1.943992       8.444746      28.44038 12.34239 23.98990 10.16145 4.450480       15.98717 
1 1 1 2  27 28 o 33.32124 6.791999 12.20662       5.190826      18.58269       7.233293      5.835517       7.445828      40.59301 9.131118 26.04948 10.05722 14.54353       13.58400 
1 1 1 2  27 29 o 20.53555 6.256848 -1.367312      5.015130      4.626190       7.059722      -7.360813      7.127024      24.41125 9.697310 16.65984 7.909158 7.751406       12.51370 
1 1 1 2  27 30 o 45.50224 6.258042 23.81107       5.578349      17.87424       7.552096      29.74789       8.210957      38.86589 9.728818 52.13859 7.874164 -13.27270      12.51608 
1 1 1 2  27 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  27 32 o 25.94154 7.005707 7.081684       5.167447      4.254961       7.190785      9.911241       7.424574      23.22236 9.576845 28.66071 10.22760 -5.438354      14.01141 
1 1 1 2  27 33 o 24.49036 6.584747 6.305221       4.616271      9.075267       6.354104      3.531632       6.697703      27.15551 9.484097 21.82521 9.137147 5.330297       13.16949 
1 1 1 2  27 34 o 29.55122 6.538690 11.61861       4.351311      13.42516       6.089851      9.804973       6.216664      31.88649 9.099039 27.21595 9.392834 4.670534       13.07738 
1 1 1 2  27 35 o 19.93298 6.235308 2.131023       5.180200      3.241875       5.547177      1.019462       8.749379      19.48307 8.243225 20.38289 9.357645 -0.8998260     12.47062 
1 1 1 2  28 0  o 69.78878 9.060336 49.94585       12.64586      49.94585       12.64586      49.94585       12.64586      69.78878 9.060336 69.78878 9.060336 0.000000       0.000000 
1 1 1 2  28 1  o 36.54300 8.464635 10.49217       8.303054      -2.661653      11.61861      23.64812       11.85948      26.11088 11.49480 46.97511 12.42858 -20.86423      16.92927 
1 1 1 2  28 2  o 61.10146 5.705947 38.04386       6.953454      33.12720       9.557014      42.95343       10.10252      57.10582 8.367811 65.09711 7.759579 -7.991287      11.41189 
1 1 1 2  28 3  o 22.82546 7.100677 -2.400943      6.322932      -0.3464329     8.742295      -4.454745      9.139028      23.77446 10.21303 21.87647 9.867746 1.897993       14.20135 
1 1 1 2  28 4  o 144.7253 2.872125 210.2685       8.317224      206.7971       11.67529      213.7399       11.83823      143.5298 4.067199 145.9208 4.056389 -2.390976      5.744249 
1 1 1 2  28 5  o 118.7423 3.126086 141.6195       7.424574      138.9274       10.37882      144.3825       10.61969      117.6001 4.412761 119.8846 4.429130 -2.284576      6.252172 
1 1 1 2  28 6  o 35.18207 6.971095 12.41208       5.664781      3.920572       7.885069      20.90641       8.133026      25.92417 10.26418 44.43997 9.435637 -18.51580      13.94219 
1 1 1 2  28 7  o 23.46373 7.171053 -0.8961915     6.191161      0.7056888      8.869816      -2.498709      8.643111      24.65017 10.42622 22.27729 9.848342 2.372881       14.34211 
1 1 1 2  28 8  o 69.21180 4.377112 48.35183       6.060097      47.94802       8.487252      48.75565       8.650196      68.92623 6.156765 69.49737 6.223398 -0.5711365     8.754225 
1 1 1 2  28 9  o 99.84534 3.717549 100.4585       7.438744      104.6383       11.10852      96.27859       9.889987      101.8965 5.450887 97.79419 5.056531 4.102287       7.435098 
1 1 1 2  28 10 o 74.12093 4.874814 56.56279       7.082392      70.68223       10.19462      42.43626       9.833311      83.63050 6.095037 64.61136 7.609584 19.01914       9.749628 
1 1 1 2  28 11 o 114.4592 3.653409 132.0554       8.366816      133.2598       11.90199      130.8510       11.75322      114.9796 5.175699 113.9388 5.157688 1.040756       7.306818 
1 1 1 2  28 12 o 62.03448 5.475753 39.67330       6.667239      48.77691       9.521592      30.57678       9.337394      69.35880 6.864011 54.71015 8.533512 14.64865       10.95151 
1 1 1 2  28 13 o 154.2161 3.223083 239.5276       9.939578      252.9881       14.26113      225.9961       13.84315      158.5776 4.496580 149.8547 4.618857 8.722916       6.446167 
1 1 1 2  28 14 o 64.11342 4.769152 42.60629       5.959496      30.47051       8.232210      54.74915       8.614774      54.66802 7.529274 73.55881 5.855705 -18.89079      9.538304 
1 1 1 2  28 15 o 61.27987 4.947868 38.27765       6.038843      41.91909       8.451830      34.63621       8.621859      64.26138 6.576136 58.29837 7.394597 5.963005       9.895737 
1 1 1 2  28 16 o 83.43025 4.012936 70.42011       6.696286      67.10455       9.287803      73.74983       9.649114      81.45686 5.701056 85.40364 5.649123 -3.946777      8.025872 
1 1 1 2  28 17 o 52.16373 5.845853 27.95551       6.102604      27.11245       8.281801      28.79148       8.969000      51.41514 8.053855 52.91232 8.475342 -1.497177      11.69171 
1 1 1 2  28 18 o 22.70151 6.944130 -2.046717      6.060097      3.100893       8.338477      -7.197870      8.798972      25.54827 10.38663 19.85475 9.219642 5.693518       13.88826 
1 1 1 2  28 19 o 64.79782 5.968611 43.86733       7.559181      53.43852       10.55593      34.30323       10.83223      72.20711 7.309483 57.38854 9.437623 14.81857       11.93722 
1 1 1 2  28 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  28 21 o 74.68152 4.997092 57.39167       7.431659      62.48544       10.38590      52.29791       10.63386      78.11555 6.647782 71.24750 7.462620 6.868050       9.994184 
1 1 1 2  28 22 o 101.2725 3.720701 104.3549       7.537927      95.92437       10.27963      112.8564       11.03059      97.15039 5.290579 105.3947 5.232994 -8.244293      7.441401 
1 1 1 2  28 23 o 87.49434 4.031526 78.49645       7.046970      68.56396       9.571183      88.48563       10.34340      81.87537 5.844971 93.11331 5.554199 -11.23795      8.063052 
1 1 1 2  28 24 o 35.65843 7.414738 12.96467       6.616940      0.8600605      8.827310      25.07211       9.861650      24.02630 10.28988 47.29055 10.67856 -23.26425      14.82948 
1 1 1 2  28 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  28 26 o 39.32515 6.763290 17.15162       5.819932      26.32607       8.154280      7.977167       8.310139      49.72822 8.198846 28.92208 10.75859 20.80614       13.52658 
1 1 1 2  28 27 o 71.86627 4.261849 53.82816       6.128108      51.78074       8.388069      55.87559       8.940661      70.53767 5.945808 73.19486 6.107438 -2.657188      8.523698 
1 1 1 2  28 28 o 31.20943 7.462553 11.09435       5.575515      9.124859       7.693786      13.05677       8.069265      29.07474 10.40777 33.34414 10.69753 -4.269400      14.92511 
1 1 1 2  28 29 o 54.33923 5.459060 32.14954       5.931159      29.42200       8.133026      34.87708       8.636027      51.97101 7.824579 56.70745 7.614544 -4.736439      10.91812 
1 1 1 2  28 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  28 31 o 26.83139 7.994477 6.029633       7.608772      4.099811       12.33415      7.962997       8.912323      26.50269 11.73430 27.16010 10.86061 -0.6574135     15.98895 
1 1 1 2  28 32 o 59.36105 5.330952 41.25315       6.342061      29.06069       7.800055      53.43852       10.00334      50.15479 7.775982 68.56731 7.294540 -18.41252      10.66190 
1 1 1 2  28 33 o 26.87523 6.898777 9.160281       5.070390      13.03551       6.864190      5.291427       7.467082      30.72529 9.867370 23.02517 9.644042 7.700123       13.79755 
1 1 1 2  28 34 o 16.67338 5.548596 -2.858603      4.762213      -3.648527      6.504296      -2.068679      6.956996      16.04065 7.587030 17.30611 8.098435 -1.265459      11.09719 
1 1 1 2  29 0  o 46.30072 10.26187 24.55494       8.295970      24.55494       8.295970      24.55494       8.295970      46.30072 10.26187 46.30072 10.26187 0.000000       0.000000 
1 1 1 2  29 1  o 87.97711 3.983245 78.14223       7.025717      71.97870       9.287803      84.30576       10.54885      84.51902 5.494505 91.43520 5.768483 -6.916176      7.966491 
1 1 1 2  29 2  o 96.89761 4.161325 94.86169       8.026759      87.49380       11.66112      102.2296       11.03768      93.07238 6.264542 100.7228 5.479233 -7.650467      8.322649 
1 1 1 2  29 3  o 72.29933 4.900021 53.13388       7.105771      59.77208       10.72596      46.50277       9.323226      76.82403 6.980863 67.77464 6.878108 9.049385       9.800041 
1 1 1 2  29 4  o 69.34585 5.123070 48.83358       7.119940      52.28374       10.57718      45.38342       9.528677      71.78207 7.367568 66.90963 7.120557 4.872437       10.24614 
1 1 1 2  29 5  o 56.90362 6.427996 34.34575       6.871274      24.37783       9.889987      44.31366       9.542846      47.72221 10.63703 66.08502 7.220128 -18.36281      12.85599 
1 1 1 2  29 6  o 36.19012 7.489401 13.76522       5.805054      15.96850       8.210957      11.56193       8.210957      38.68402 10.39038 33.69623 10.78909 4.987793       14.97880 
1 1 1 2  29 7  o 84.09358 3.938723 71.34109       6.626858      73.46645       9.606606      69.30784       9.131943      85.31017 5.630399 82.87700 5.509335 2.433167       7.877447 
1 1 1 2  29 8  o 62.59488 4.919602 39.75123       6.158571      39.34741       8.848563      40.14796       8.565183      62.26045 7.106087 62.92931 6.805400 -0.6688576     9.839204 
1 1 1 2  29 9  o 77.18140 4.598588 60.34592       7.083100      57.32792       10.25130      63.36392       9.776634      75.20364 6.815692 79.15916 6.175303 -3.955521      9.197175 
1 1 1 2  29 10 o 35.69521 7.480597 13.39682       5.721456      13.82898       8.147196      12.95758       8.033843      36.20775 10.58730 35.18266 10.57102 1.025093       14.96119 
1 1 1 2  29 11 f 99.36542 3.522883 99.60831       7.000920      97.69550       9.840395      101.4503       9.960832      98.42580 4.998890 100.3050 4.965270 -1.879234      7.045765 
1 1 1 2  29 12 o 38.30227 7.161790 15.60719       5.834808      21.83448       8.133026      9.379901       8.366816      45.25328 9.305202 31.35125 10.88936 13.90203       14.32358 
1 1 1 2  29 13 f 55.94394 5.523486 31.94409       6.176282      31.39858       8.876901      32.48960       8.593520      55.43771 8.006193 56.45016 7.611599 -1.012451      11.04697 
1 1 1 2  29 14 o 84.64548 4.513397 73.53729       7.559181      89.33577       11.03768      57.78841       10.32923      93.92178 5.875996 75.36919 6.852421 18.55259       9.026793 
1 1 1 2  29 15 f 53.36806 6.906371 30.21547       7.176617      25.37674       10.02459      35.04711       10.27255      48.42255 10.64004 58.31357 8.808028 -9.891022      13.81274 
1 1 1 2  29 16 o 99.28429 4.344959 100.1751       8.621859      107.3305       12.36248      93.01972       12.01534      102.8666 6.008986 95.70195 6.277481 7.164688       8.689919 
1 1 1 2  29 17 o 130.9977 4.118700 174.2791       10.78972      176.0503       15.27422      172.5788       15.24588      131.6583 5.800707 130.3371 5.848635 1.321167       8.237399 
1 1 1 2  29 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  29 19 o 108.2051 4.095293 119.3741       8.820225      128.0172       11.97992      110.7310       12.94341      112.2748 5.335090 104.1355 6.214701 8.139313       8.190585 
1 1 1 2  29 20 o 70.80443 4.959792 51.57529       7.025717      48.26682       9.620775      54.88376       10.24421      68.52967 7.019423 73.07918 7.008982 -4.549507      9.919583 
1 1 1 2  29 21 o 20.92756 6.679189 -3.836267      5.997753      -1.699576      8.203872      -5.972248      8.749379      21.71496 9.597922 20.14017 9.291186 1.574793       13.35838 
1 1 1 2  29 22 o 64.85618 4.970093 43.54853       6.435576      45.22048       8.834394      41.87658       9.358648      66.21027 6.671468 63.50209 7.368772 2.708176       9.940186 
1 1 1 2  29 23 o 36.48392 7.698594 14.83498       6.114647      17.03118       8.338477      12.63170       8.947746      38.87973 10.48331 34.08813 11.27712 4.791599       15.39719 
1 1 1 2  29 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  29 25 o 20.90831 6.532818 -2.195492      5.553554      2.255710       7.835476      -6.647403      7.870899      23.55820 9.873721 18.25842 8.556897 5.299786       13.06564 
1 1 1 2  29 26 o 75.71551 4.318157 60.01295       6.546094      53.03470       8.742295      66.98412       9.748297      71.28767 6.131702 80.14334 6.081789 -8.855667      8.636314 
1 1 1 2  29 27 o 45.42972 6.616964 24.17237       5.943202      16.74072       8.104689      31.60404       8.699788      37.24950 10.45468 53.60994 8.113970 -16.36044      13.23393 
1 1 1 2  29 28 f 30.98344 7.774625 10.91724       6.067889      8.990252       8.097604      12.84423       9.039845      28.97357 10.64691 32.99332 11.33237 -4.019751      15.54925 
1 1 1 2  29 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  29 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  29 31 o 44.36620 6.627896 24.77456       5.705162      23.65520       7.637110      25.90100       8.480167      43.65496 9.051090 45.07745 9.684720 -1.422493      13.25579 
1 1 1 2  29 32 o 25.85627 6.592492 8.380984       4.586517      12.15703       6.451871      4.597852       6.519882      29.84696 9.564529 21.86558 9.075438 7.981382       13.18498 
1 1 1 2  29 33 o 29.05754 6.424730 11.79572       4.534091      6.320807       6.404404      17.27205       6.420699      22.65130 9.144492 35.46378 9.027008 -12.81248      12.84946 
1 1 1 2  30 0  o 58.83584 7.782613 36.69780       8.905238      36.69780       8.905238      36.69780       8.905238      58.83584 7.782613 58.83584 7.782613 0.000000       0.000000 
1 1 1 2  30 1  o 48.82023 6.291516 25.20671       5.894319      18.60394       8.487252      31.80948       8.182618      41.68020 10.24112 55.96027 7.311096 -14.28007      12.58303 
1 1 1 2  30 2  f 42.70680 6.742962 19.51076       5.639985      23.23013       7.948828      15.79139       8.005506      46.94778 8.790848 38.46582 10.22698 8.481956       13.48592 
1 1 1 2  30 3  o 94.99818 3.590006 90.96520       6.820265      90.75267       9.734127      91.10690       9.557014      94.89835 5.128713 95.09800 5.024825 -0.1996460     7.180011 
1 1 1 2  30 4  o 47.92812 6.198092 25.32006       5.690285      12.34832       7.700871      38.29182       8.380984      34.39513 10.35271 61.46111 6.818120 -27.06598      12.39618 
1 1 1 2  30 5  o 26.43967 6.814290 1.691074       5.750503      -9.627860      7.955913      13.01426       8.303054      17.56157 8.346334 35.31777 10.77390 -17.75620      13.62858 
1 1 1 2  30 6  o 29.58046 7.748479 5.776716       6.546803      -0.4806845     9.592437      12.03660       8.912323      24.68599 10.65296 34.47493 11.25479 -9.788933      15.49696 
1 1 1 2  30 7  o 57.22910 6.520483 34.18988       7.254546      32.04327       10.67637      36.34358       9.819141      54.86066 10.10961 59.59753 8.237876 -4.736874      13.04097 
1 1 1 2  30 8  o 31.69432 8.189393 8.097604       7.079559      14.18321       10.44966      2.008461       9.557014      37.16300 12.18689 26.22565 10.94277 10.93735       16.37879 
1 1 1 2  30 9  o 69.25276 5.898826 50.16547       8.019674      64.75249       11.93033      35.58553       10.72596      79.69628 7.484871 58.80923 9.119282 20.88705       11.79765 
1 1 1 2  30 10 o 48.34662 7.154511 24.99418       6.719665      25.05794       10.30089      24.93750       8.628942      48.19218 10.93566 48.50107 9.228185 -0.3088913     14.30902 
1 1 1 2  30 11 o 80.09586 4.323536 65.03587       6.925824      64.18573       9.776634      65.88602       9.812057      79.56715 6.143638 80.62457 6.085029 -1.057426      8.647073 
1 1 1 2  30 12 o 26.62885 7.588583 3.793051       6.221623      4.147277       8.650196      3.439533       8.947746      26.75126 10.69863 26.50644 10.76503 0.2448254      15.17717 
1 1 1 2  30 13 o 24.84166 7.369526 1.177447       6.254921      -1.888024      8.529759      4.242918       9.146112      22.31753 9.835435 27.36580 10.97743 -5.048269      14.73905 
1 1 1 2  30 14 o 63.74648 5.832761 42.03244       7.353730      35.37300       10.46383      48.69189       10.33631      58.51230 8.941567 68.98065 7.492181 -10.46835      11.66552 
1 1 1 2  30 15 o 45.41470 7.809752 21.31731       8.529759      40.11254       12.07910      2.531298       12.04368      61.87233 9.761313 28.95708 12.19367 32.91525       15.61950 
1 1 1 2  30 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  30 17 o 55.68859 6.893010 33.33266       7.424574      39.15613       10.45675      27.50918       10.53468      61.37202 8.519150 50.00516 10.83875 11.36686       13.78602 
1 1 1 2  30 18 o 75.90222 5.312736 59.58788       8.033843      65.81518       11.39899      53.36059       11.32106      79.99622 7.124704 71.80821 7.882844 8.188011       10.62547 
1 1 1 2  30 19 o 52.53876 7.170101 29.88250       7.360813      32.34791       10.10961      27.41709       10.70471      55.44838 9.116233 49.62915 11.06958 5.819229       14.34020 
1 1 1 2  30 20 o 48.90711 7.276695 26.53860       7.047678      34.89833       9.918325      18.17887       10.01751      57.61357 8.607630 40.20065 11.73499 17.41292       14.55339 
1 1 1 2  30 21 o 49.58714 7.232094 27.35332       6.933618      29.04653       9.429493      25.66012       10.16628      51.46325 9.519732 47.71104 10.88979 3.752213       14.46419 
1 1 1 2  30 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  30 23 o 33.21858 7.688371 12.08619       6.024674      8.203872       8.295970      15.96850       8.735210      29.12013 10.76588 37.31704 10.97907 -8.196913      15.37674 
1 1 1 2  30 24 o 54.82759 5.776184 32.34082       6.330725      33.23347       8.869816      31.44109       9.032760      55.68254 7.964630 53.97264 8.367907 1.709900       11.55237 
1 1 1 2  30 25 o 28.87558 7.958787 7.750463       6.629692      7.127024       9.131943      8.373900       9.613690      28.21642 11.08562 29.53475 11.42271 -1.318335      15.91757 
1 1 1 2  30 26 o 42.49547 7.811307 22.25247       6.705496      21.28897       9.372816      23.20888       9.592437      41.54027 11.07576 43.45068 11.01788 -1.910408      15.62261 
1 1 1 2  30 27 o 29.57667 8.640226 9.649114       8.303054      9.960832       12.10036      9.344479       11.37774      29.89308 12.38277 29.26026 12.05326 0.6328182      17.28045 
1 1 1 2  30 28 o 28.88243 8.727317 13.38974       9.259464      11.25730       14.43825      15.51509       11.59735      27.61042 12.43130 30.15443 12.25263 -2.544003      17.45463 
1 1 1 2  30 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  30 30 o 29.27243 7.028641 11.33523       4.925865      11.98701       6.923699      10.68345       7.008005      30.03138 9.919977 28.51348 9.959982 1.517897       14.05728 
1 1 1 2  30 31 o 28.50857 6.610974 10.83931       4.725374      5.387067       6.611272      16.29439       6.754380      22.45817 9.208915 34.55898 9.487665 -12.10081      13.22195 
1 1 1 2  30 32 f 32.07288 6.711791 14.91999       4.639651      16.99576       6.698411      12.84423       6.422115      34.51409 9.436326 29.63166 9.547163 4.882433       13.42358 
1 1 1 2  31 0  o 110.7620 4.884730 123.9082       10.77555      123.9082       10.77555      123.9082       10.77555      110.7620 4.884730 110.7620 4.884730 -0.000000      0.000000 
1 1 1 2  31 1  o 61.19316 5.107822 38.13596       6.247128      37.37083       9.068183      38.90108       8.593520      60.53790 7.489675 61.84843 6.947243 -1.310528      10.21564 
1 1 1 2  31 2  o 82.50045 4.279305 69.51329       6.983918      56.70448       9.755382      82.32210       9.996255      74.75014 6.525327 90.25076 5.538044 -15.50063      8.558611 
1 1 1 2  31 3  o 50.49029 6.360618 27.02035       6.208871      33.70813       9.011506      20.33257       8.543928      57.45534 7.842185 43.52524 10.01648 13.93010       12.72124 
1 1 1 2  31 4  o 50.59200 6.324104 26.92117       6.226583      22.07536       8.558097      31.76698       9.046929      45.43946 9.702057 55.74454 8.114633 -10.30508      12.64821 
1 1 1 2  31 5  o 131.8089 3.232884 174.9876       8.522675      171.2328       12.03660      178.7424       12.06493      130.3857 4.615767 133.2321 4.527787 -2.846466      6.465768 
1 1 1 2  31 6  o 137.9768 3.509081 191.9904       9.684536      192.3447       14.88457      191.7071       12.39082      137.9840 5.393588 137.9697 4.490414 0.1425171E-01  7.018162 
1 1 1 2  31 7  o 27.29877 7.650906 4.560304       6.230834      5.377149       8.678535      3.742751       8.940661      27.82585 10.83409 26.77170 10.80592 1.054155       15.30181 
1 1 1 2  31 8  o 32.79034 8.359110 9.457831       7.190785      13.96358       10.38590      4.957746       9.953747      36.83845 12.14965 28.74223 11.48411 8.096224       16.71822 
1 1 1 2  31 9  o 36.21582 8.100502 13.73688       6.565931      13.81481       9.089437      13.65895       9.479085      36.23118 11.31755 36.20047 11.59248 0.3071213E-01  16.20100 
1 1 1 2  31 10 o 72.18985 6.151962 53.68648       8.848563      51.14313       13.21263      56.22982       11.76738      70.30550 9.396582 74.07420 7.942971 -3.768700      12.30392 
1 1 1 2  31 11 o 102.3042 5.016365 107.1888       10.24421      119.7992       14.88457      94.64915       14.07694      108.3903 6.866189 96.21796 7.315129 12.17238       10.03273 
1 1 1 2  31 12 o 120.9994 4.837785 150.2626       11.71071      167.5488       17.33581      132.9055       15.75597      128.0263 6.770413 113.9726 6.912175 14.05371       9.675570 
1 1 1 2  31 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  31 14 o 75.30869 6.159555 59.24782       9.110690      52.95677       14.23988      65.53887       11.35648      70.78777 10.05815 79.82961 7.112951 -9.041847      12.31911 
1 1 1 2  31 15 o 54.02740 7.045811 32.53919       7.304138      46.43193       10.65512      18.63937       9.989170      66.99966 7.951619 41.05514 11.63381 25.94452       14.09162 
1 1 1 2  31 16 o 50.67481 6.691613 27.84216       6.579392      20.70096       9.117774      34.98335       9.486169      43.30359 10.59913 58.04604 8.171247 -14.74245      13.38323 
1 1 1 2  31 17 o 68.26206 4.954463 48.06845       6.753671      50.01670       9.372816      46.12021       9.727042      69.72847 6.720940 66.79565 7.281195 2.932816       9.908927 
1 1 1 2  31 18 f 51.93224 6.431547 28.97568       6.512797      25.83724       9.117774      32.12120       9.301972      48.52934 9.737203 55.33514 8.405122 -6.805798      12.86309 
1 1 1 2  31 19 o 28.65232 7.700052 6.425658       6.313014      9.939578       8.402238      2.912446       9.422408      31.22191 10.90586 26.08274 10.87316 5.139174       15.40010 
1 1 1 2  31 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  31 21 o 42.04801 8.137879 20.70096       7.058305      19.60286       10.23004      21.80614       9.727042      40.82201 11.84033 43.27401 11.16723 -2.451996      16.27576 
1 1 1 2  31 22 o 22.69979 7.356351 -5.000961      7.615856      -4.593602      10.37882      -5.408321      11.14395      22.45048 10.25864 22.94909 10.54628 -0.4986115     14.71270 
1 1 1 2  31 23 o 41.44062 8.936944 20.99143       8.111773      18.59686       11.37065      23.38599       11.56902      39.20072 12.71094 43.68051 12.56614 -4.479790      17.87389 
1 1 1 2  31 24 o 50.50793 8.284034 31.91575       8.657280      20.48843       12.01534      43.33599       12.47583      39.76780 13.06802 61.24806 10.18468 -21.48026      16.56807 
1 1 1 2  31 25 o 40.45677 7.913636 20.75764       7.651280      4.909571       9.068183      36.60571       12.31998      26.15173 10.76463 54.76181 11.60281 -28.61008      15.82727 
1 1 1 2  31 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  31 27 o 36.73159 8.332120 18.31348       6.941411      16.42900       9.337394      20.19088       10.27255      35.09634 11.52006 38.36685 12.04098 -3.270508      16.66424 
1 1 1 2  31 28 o 30.83900 7.167827 12.39082       5.284342      8.246379       7.233293      16.53526       7.707955      26.35274 9.983483 35.32525 10.28791 -8.972509      14.33565 
1 1 1 2  31 29 o 53.76461 5.050018 33.43893       5.427449      32.36208       7.729208      34.52285       7.615856      52.69770 7.333535 54.83151 6.944781 -2.133808      10.10004 
1 1 1 2  31 30 o 39.82719 6.707755 21.71405       5.311263      19.25572       7.814223      24.16529       7.190785      36.39915 10.28169 43.25524 8.617580 -6.856091      13.41551 
1 1 1 2  31 31 o 30.28179 7.014010 14.09819       4.942160      15.83390       7.016507      12.36248       6.961247      32.27209 9.916147 28.29149 9.922468 3.980608       14.02802 
1 1 1 2  32 0  o 107.6490 5.482635 117.4613       11.73905      117.4613       11.73905      117.4613       11.73905      107.6490 5.482635 107.6490 5.482635 0.000000       0.000000 
1 1 1 2  32 1  o 55.30836 6.585033 33.31849       6.893944      46.20523       10.13795      20.43883       9.344479      67.22614 7.540181 43.39058 10.79798 23.83556       13.17007 
1 1 1 2  32 2  o 48.81553 6.943045 25.47593       6.653071      19.34782       9.202788      31.60404       9.613690      42.22674 10.84212 55.40433 8.675939 -13.17759      13.88609 
1 1 1 2  32 3  o 93.89165 4.112153 89.40662       7.722124      93.51564       11.05893      85.22675       10.77555      96.08256 5.754911 91.70074 5.875390 4.381813       8.224306 
1 1 1 2  32 4  o 80.54352 4.666360 65.99229       7.516674      67.97595       10.62678      64.00861       10.62678      81.77495 6.497575 79.31210 6.699342 2.462852       9.332720 
1 1 1 2  32 5  o 68.86351 5.851552 48.87609       8.090520      43.15180       10.57010      54.60038       12.24205      64.84410 8.150394 72.88292 8.398433 -8.038818      11.70310 
1 1 1 2  32 6  o 75.15813 5.355720 57.82383       8.033843      55.59929       11.63986      60.05545       11.08727      73.63329 7.903940 76.68297 7.229292 -3.049675      10.71144 
1 1 1 2  32 7  o 35.97164 9.042100 10.89599       8.763549      4.595727       13.77230      17.19412       10.83931      31.97406 13.22558 39.96923 12.33379 -7.995171      18.08420 
1 1 1 2  32 8  f 63.52570 7.270090 43.33599       8.926493      51.83033       12.93633      34.84166       12.29872      70.58182 9.164067 56.46959 11.28879 14.11222       14.54018 
1 1 1 2  32 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  32 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  32 11 o 78.98286 5.553844 64.55412       8.777717      67.09747       12.73796      62.00370       12.07910      80.52315 7.909504 77.44257 7.798749 3.080582       11.10769 
1 1 1 2  32 12 o 26.78712 7.797315 1.598267       7.112856      8.161365       10.07418      -4.964830      10.03876      31.09866 11.78183 22.47559 10.21670 8.623066       15.59463 
1 1 1 2  32 13 o 105.5300 4.060303 115.5485       8.451830      83.95154       11.25730      147.2163       12.60336      90.64939 6.209253 120.4106 5.233491 -29.76122      8.120606 
1 1 1 2  32 14 o 37.57411 8.463869 15.33090       7.212039      15.22463       9.216957      15.43716       11.10144      37.27522 11.34745 37.87301 12.56120 -0.5977974     16.92774 
1 1 1 2  32 15 o 105.2239 4.470094 113.7774       9.394071      105.0634       13.14178      122.5622       13.42516      101.0960 6.499656 109.3518 6.138521 -8.255775      8.940188 
1 1 1 2  32 16 o 30.71714 8.417997 7.254546       7.559181      11.36357       10.65512      3.139150       10.73304      33.80406 12.23336 27.63022 11.56701 6.173836       16.83599 
1 1 1 2  32 17 o 22.60371 7.281079 -7.516674      7.622942      -16.30148      10.70471      1.258919       10.84640      18.75623 9.098539 26.45118 11.36983 -7.694948      14.56216 
1 1 1 2  32 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  32 19 o 45.64107 8.459109 24.76039       7.885069      20.14128       10.76847      29.37949       11.52651      41.25029 12.20718 50.03185 11.71371 -8.781559      16.91822 
1 1 1 2  32 20 o 43.47103 8.041344 22.19580       7.127024      18.65354       9.819141      25.74514       10.32214      39.89105 11.60974 47.05101 11.12955 -7.159962      16.08269 
1 1 1 2  32 21 o 95.87045 4.248857 96.27859       8.076350      81.47195       11.35648      111.0852       11.48400      88.17022 6.440089 103.5707 5.544041 -15.40047      8.497714 
1 1 1 2  32 22 o 62.37814 5.203498 42.19538       6.418573      33.77898       8.827310      50.61179       9.323226      55.75645 7.915954 68.99982 6.755978 -13.24337      10.40700 
1 1 1 2  32 23 o 21.92173 6.798075 -1.188782      6.000587      4.174198       8.225125      -6.551762      8.742295      24.76689 10.23115 19.07658 8.954261 5.690302       13.59615 
1 1 1 2  32 24 o 57.08793 6.880161 40.19755       7.686701      39.73706       10.42133      40.65096       11.29272      57.63448 9.040878 56.54138 10.37348 1.093098       13.76032 
1 1 1 2  32 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  32 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  32 27 o 19.48640 6.530970 -5.975082      6.831601      -3.064762      9.670367      -8.883986      9.656199      20.60752 9.606231 18.36528 8.850683 2.242239       13.06194 
1 1 1 2  32 28 o 25.08230 7.325760 7.098687       6.166365      1.537340       7.962997      12.66003       9.415324      20.83563 9.311244 29.32897 11.31229 -8.493338      14.65152 
1 1 1 2  32 29 o 26.82214 7.254671 10.55593       5.469248      8.593520       7.608772      12.51834       7.856731      25.02921 10.02394 28.61507 10.49007 -3.585859      14.50934 
1 1 1 2  32 30 o 13.46306 4.687718 -9.139028      4.390275      -3.943242      6.384568      -14.33906      6.027507      15.41252 7.371008 11.51360 5.793708 3.898915       9.375437 
1 1 1 2  33 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  33 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  33 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  33 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  33 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  33 5  o 56.50239 9.979044 36.93159       11.29981      42.21664       16.45025      31.64654       15.48676      60.70404 13.85034 52.30074 14.36988 8.403305       19.95809 
1 1 1 2  33 6  o 106.6518 4.616353 116.6112       9.840395      123.8374       14.07694      109.3141       13.75105      110.0263 6.397076 103.2773 6.657347 6.749092       9.232705 
1 1 1 2  33 7  o 92.22722 5.294219 87.70633       9.741212      85.72267       14.84915      89.61916       12.61044      90.94305 8.163981 93.51139 6.742730 -2.568336      10.58844 
1 1 1 2  33 8  o 28.80720 8.286062 4.569514       7.495420      5.866689       10.74721      3.272339       10.44258      29.86444 11.93285 27.74997 11.49967 2.114466       16.57212 
1 1 1 2  33 9  o 62.67109 6.138446 40.96976       7.686701      43.95943       10.95267      37.97301       10.77555      65.03787 8.420220 60.30430 8.934315 4.733574       12.27689 
1 1 1 2  33 10 o 71.07627 5.401104 52.73715       7.566265      63.35685       10.80389      42.11745       10.59844      78.52443 6.879318 63.62811 8.328425 14.89632       10.80221 
1 1 1 2  33 11 o 162.5385 3.234418 267.6531       10.51342      276.0836       14.96959      259.2934       14.76414      165.1064 4.533315 159.9706 4.614641 5.135818       6.468837 
1 1 1 2  33 12 o 65.94647 5.365735 45.17797       7.072474      47.64338       10.06001      42.71964       9.939578      67.79790 7.419120 64.09505 7.753781 3.702858       10.73147 
1 1 1 2  33 13 o 34.30640 8.184450 12.48292       6.666531      12.09327       9.238212      12.86548       9.613690      33.86064 11.45872 34.75215 11.68926 -0.8915062     16.36890 
1 1 1 2  33 14 o 26.72883 7.614473 -0.8140112     7.353730      11.85948       10.19462      -13.48892      10.59844      33.91851 11.99653 19.53916 9.381043 14.37935       15.22895 
1 1 1 2  33 15 o 32.54183 8.116049 9.146112       7.339560      -0.5005921     10.22296      18.79523       10.53468      24.67346 10.82258 40.41021 12.09764 -15.73675      16.23210 
1 1 1 2  33 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  33 17 o 35.17015 8.383407 13.40391       7.325392      6.751545       10.03168      20.04918       10.69054      29.07674 11.55681 41.26356 12.14768 -12.18682      16.76681 
1 1 1 2  33 18 f 57.60003 6.027058 35.71305       6.944245      35.00460       9.564099      36.42150       10.07418      57.09920 8.374986 58.10086 8.669564 -1.001663      12.05412 
1 1 1 2  33 19 o 113.7119 4.419163 135.1726       10.04585      140.9111       14.33198      129.5050       14.08402      116.1747 6.168285 111.2491 6.329949 4.925659       8.838326 
1 1 1 2  33 20 o 36.41630 8.615780 15.91891       7.573349      11.11561       10.61969      20.72222       10.80389      32.04348 12.10928 40.78911 12.25937 -8.745625      17.23156 
1 1 1 2  33 21 o 30.97723 8.038184 8.218040       7.537927      -3.163237      10.67637      19.59578       10.64803      22.78361 10.40828 39.17086 12.25224 -16.38726      16.07637 
1 1 1 2  33 22 o 33.51170 8.832559 12.49709       8.529759      3.671197       11.97992      21.31731       12.14286      27.13482 11.80977 39.88857 13.13718 -12.75375      17.66512 
1 1 1 2  33 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  33 24 o 41.02792 8.297647 22.81215       7.219123      23.98109       9.493254      21.64320       10.88182      42.81851 11.02241 39.23732 12.40606 3.581188       16.59529 
1 1 1 2  33 25 o 20.91542 6.790637 -3.479915      6.732417      4.942868       9.953747      -11.90199      9.061099      25.04940 10.83126 16.78144 8.193579 8.267967       13.58127 
1 1 1 2  33 26 f 34.06471 7.493110 16.37940       6.228708      7.899237       8.558097      24.85249       9.054014      25.78291 10.50893 42.34651 10.68406 -16.56360      14.98622 
1 1 1 2  33 27 o 24.85155 6.642637 6.272632       5.250336      -2.517129      7.226208      15.06169       7.615856      17.66583 8.261664 32.03728 10.40401 -14.37145      13.28527 
1 1 1 2  33 28 o 20.43081 6.423221 2.948576       5.273006      4.214580       8.076350      1.682573       6.784134      21.65476 9.553379 19.20685 8.588598 2.447916       12.84644 
1 1 1 2  34 0  o 16.97399 11.30165 -1.498376      9.889987      -1.498376      9.889987      -1.498376      9.889987      16.97399 11.30165 16.97399 11.30165 0.000000       0.000000 
1 1 1 2  34 1  o 30.29535 8.105751 7.679617       6.756505      6.603478       9.776634      8.763549       9.330310      29.54006 11.49960 31.05065 11.42681 -1.510584      16.21150 
1 1 1 2  34 2  o 43.18549 7.975498 20.65845       7.190785      27.22580       10.01042      14.08402       10.32214      49.87308 10.37915 36.49791 12.11229 13.37518       15.95100 
1 1 1 2  34 3  o 110.2738 3.956354 123.9791       8.721042      133.2598       12.59627      114.6275       12.06493      114.4556 5.502687 106.0920 5.686069 8.363594       7.912708 
1 1 1 2  34 4  o 57.82455 6.991614 36.57028       7.700871      47.35291       10.98100      25.78764       10.78972      67.52829 8.130668 48.12081 11.37642 19.40748       13.98323 
1 1 1 2  34 5  o 33.61873 7.974369 9.443663       7.282885      20.37507       10.30797      -1.484207      10.29380      42.68238 11.72196 24.55507 10.81471 18.12731       15.94874 
1 1 1 2  34 6  o 43.59033 8.030994 21.30314       7.183701      26.26939       10.24421      16.34398       10.06001      48.67531 10.80748 38.50536 11.88216 10.16996       16.06199 
1 1 1 2  34 7  o 59.96246 6.714240 38.79482       7.863815      31.71030       10.39299      45.87225       11.80989      53.87442 10.01996 66.05050 8.940047 -12.17607      13.42848 
1 1 1 2  34 8  o 25.27598 7.637579 0.9599522      6.871274      -0.6813889     9.847479      2.601435       9.585353      24.37842 10.65803 26.17354 10.94243 -1.795113      15.27516 
1 1 1 2  34 9  o 28.30024 7.652133 3.951036       6.792635      13.01426       9.578268      -5.115730      9.634944      34.89741 11.66769 21.70308 9.903814 13.19433       15.30427 
1 1 1 2  34 10 o 20.01344 6.581567 -9.394071      6.631817      -1.482081      9.429493      -17.30748      9.323226      23.33427 10.30484 16.69262 8.190144 6.641651       13.16313 
1 1 1 2  34 11 o 30.21547 7.743795 4.658779       7.261631      17.56252       10.22296      -8.246379      10.30797      39.36121 11.94436 21.06973 9.858891 18.29148       15.48759 
1 1 1 2  34 12 o 21.96912 7.053076 -9.181536      7.311223      -22.23122      9.812057      3.869564       10.83223      15.99986 7.948961 27.93838 11.65322 -11.93851      14.10615 
1 1 1 2  34 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  34 14 o 64.61064 5.898296 44.73165       7.622942      41.09020       10.40716      48.36600       11.14395      61.94930 8.399737 67.27200 8.282754 -5.322701      11.79659 
1 1 1 2  34 15 f 34.93569 8.142902 13.68020       6.653071      11.37065       9.351563      15.98267       9.472000      32.62323 11.49471 37.24815 11.53686 -4.624924      16.28580 
1 1 1 2  34 16 o 35.39395 7.689086 14.01318       6.526966      5.635734       8.983169      22.39416       9.472000      27.10390 10.87636 43.68400 10.87166 -16.58010      15.37817 
1 1 1 2  34 17 o 50.01099 6.860474 29.76914       6.769256      46.20523       9.734127      13.33306       9.408240      65.90031 7.385495 34.12166 11.56369 31.77864       13.72095 
1 1 1 2  34 18 o 28.70574 7.727232 7.474166       6.473125      12.63878       8.969000      2.305302       9.337394      32.83106 11.28679 24.58042 10.55694 8.250635       15.45446 
1 1 1 2  34 19 o 27.54908 7.522912 5.409738       6.534050      -2.826014      9.280719      13.64478       9.202788      21.46944 9.776402 33.62872 11.43673 -12.15929      15.04582 
1 1 1 2  34 20 o 56.19382 8.010226 39.04986       8.692703      38.61062       11.87365      39.48910       12.70254      56.23288 10.94821 56.15477 11.69579 0.7811737E-01  16.02045 
1 1 1 2  34 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  34 22 o 27.50315 8.107700 6.944952       7.509589      9.054014       9.960832      4.836601       11.25021      28.56762 11.45742 26.43870 11.47461 2.128920       16.21540 
1 1 1 2  34 23 o 20.30787 6.746077 -4.456870      7.051221      -2.050259      9.273635      -6.863481      10.62678      20.64664 9.540315 19.96909 9.540472 0.6775475      13.49215 
1 1 1 2  34 24 o 25.15094 7.529017 5.763256       6.692744      1.132106       9.167366      10.39299       9.748297      22.00145 9.905788 28.30043 11.34107 -6.298988      15.05803 
1 1 1 2  34 25 o 25.69177 7.606081 8.026759       6.567348      7.693786       9.372816      8.359732       9.202788      25.47680 10.74394 25.90674 10.76929 -0.4299374     15.21216 
1 1 1 2  34 26 o 19.57737 6.380765 0.3215663      5.754754      5.215622       9.224042      -4.572348      6.884026      23.02515 10.17709 16.12960 7.699577 6.895552       12.76153 
1 1 1 2  34 27 o 22.81573 6.623286 7.058305       4.846519      7.594603       6.944952      6.524132       6.762880      23.27708 9.473771 22.35437 9.258472 0.9227028      13.24657 
1 1 1 2  35 0  o 43.94299 13.02894 24.63287       9.946663      24.63287       9.946663      24.63287       9.946663      43.94299 13.02894 43.94299 13.02894 0.000000       0.000000 
1 1 1 2  35 1  o 55.03343 6.653655 32.93592       7.027133      26.13479       10.01751      39.74414       9.861650      48.40111 10.63709 61.66575 7.996050 -13.26464      13.30731 
1 1 1 2  35 2  o 49.80591 7.409239 27.58711       7.148279      25.29881       10.30089      29.87541       9.925409      47.43801 11.05210 52.17381 9.871083 -4.735798      14.81848 
1 1 1 2  35 3  o 24.53185 7.493359 0.1198700      6.775633      -1.806552      9.698705      2.046717       9.457831      23.48454 10.40076 25.57915 10.79009 -2.094604      14.98672 
1 1 1 2  35 4  o 40.76851 9.074975 18.86607       8.260548      17.56960       11.61152      20.15545       11.75322      39.57252 12.84619 41.96450 12.82170 -2.391975      18.14995 
1 1 1 2  35 5  o 23.56846 7.350008 -1.392108      6.785551      -0.3946785     9.500339      -2.388900      9.691620      24.02807 10.48696 23.10885 10.30117 0.9192181      14.70002 
1 1 1 2  35 6  o 52.58968 7.985619 31.45526       8.189702      36.10979       12.38374      26.80073       10.71888      56.56905 11.34563 48.61031 11.24087 7.958744       15.97124 
1 1 1 2  35 7  f 31.75921 8.556832 7.637110       8.083434      -0.9238211     11.07310      16.19521       11.78155      25.40343 11.19941 38.11500 12.94027 -12.71158      17.11366 
1 1 1 2  35 8  o 42.11843 8.899329 20.51676       8.607689      10.95267       11.88074      30.08086       12.45458      33.63340 12.77926 50.60346 12.38881 -16.97005      17.79866 
1 1 1 2  35 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  35 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  35 11 o 57.60176 6.503155 36.79699       7.119940      27.63671       10.07418      45.96435       10.06001      49.23156 10.53716 65.97196 7.624462 -16.74040      13.00631 
1 1 1 2  35 12 o 42.92952 7.785079 21.40941       6.748711      18.85190       9.486169      23.96692       9.599521      40.22009 11.31786 45.63895 10.69279 -5.418858      15.57016 
1 1 1 2  35 13 o 30.09378 7.893251 8.827310       6.469582      12.07202       8.990252      5.580475       9.301972      32.87146 11.30020 27.31610 11.02357 5.555357       15.78650 
1 1 1 2  35 14 o 34.91983 8.244712 14.05568       6.841519      10.81806       9.379901      17.28622       9.960832      31.75105 11.47921 38.08860 11.83760 -6.337551      16.48942 
1 1 1 2  35 15 o 28.57107 7.823960 7.545012       6.461080      10.47092       9.266549      4.610604       9.004422      31.08134 11.39260 26.06080 10.72688 5.020546       15.64792 
1 1 1 2  35 16 o 27.45888 7.913033 6.126691       6.910948      8.444746       9.613690      3.811471       9.932493      29.02679 11.38209 25.89097 10.99602 3.135820       15.82607 
1 1 1 2  35 17 o 29.42554 7.932851 2.762962       8.048012      -15.00501      10.94558      20.53093       11.80989      18.85246 9.162477 39.99861 12.95259 -21.14615      15.86570 
1 1 1 2  35 18 o 32.91025 9.141789 15.44425       8.820225      13.84315       12.29872      17.04535       12.64586      31.81279 12.74272 34.00771 13.11153 -2.194923      18.28358 
1 1 1 2  35 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  35 20 o 31.81545 7.498721 10.54885       6.813890      21.97617       9.167366      -0.8756464     10.08127      41.08836 10.95298 22.54254 10.24478 18.54582       14.99744 
1 1 1 2  35 21 o 26.13186 7.355076 7.474166       5.926908      10.39299       8.033843      4.556762       8.713958      28.37707 10.57378 23.88666 10.22663 4.490414       14.71015 
1 1 1 2  35 22 o 26.26682 7.274588 7.977167       5.644944      10.04585       7.722124      5.903528       8.239295      27.98817 10.37897 24.54548 10.19585 3.442690       14.54918 
1 1 1 2  35 23 o 21.87886 6.573343 2.687157       5.343852      8.423491       7.552096      -3.045634      7.559181      25.75682 10.09052 18.00089 8.427144 7.755930       13.14669 
1 1 1 2  35 24 o 20.19133 6.345468 2.147317       5.156821      2.303885       7.212039      1.990041       7.374983      20.23272 8.963675 20.14994 8.984007 0.8277130E-01  12.69094 
1 1 1 2  35 25 o 17.57183 5.789538 -1.712328      5.021506      -4.230165      7.240376      0.8048012      6.959122      16.45585 7.865078 18.68782 8.497973 -2.231970      11.57908 
1 1 1 2  36 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  36 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  36 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  36 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  36 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  36 5  o 29.34601 8.362116 4.706954       8.026759      -3.044926      11.37774      12.46167       11.33523      24.36425 10.99896 34.32777 12.59852 -9.963514      16.72423 
1 1 1 2  36 6  o 107.1019 4.745891 119.6575       10.16628      118.3115       14.46659      121.0036       14.28239      106.4439 6.795401 107.7599 6.626949 -1.315964      9.491782 
1 1 1 2  36 7  o 27.17288 7.940484 4.256378       7.025008      4.806845       10.00334      3.706620       9.861650      27.62068 11.32701 26.72508 11.13122 0.8956070      15.88097 
1 1 1 2  36 8  o 77.05154 5.084870 63.16556       7.778800      75.66265       11.45567      50.67556       10.52759      84.98542 6.739782 69.11767 7.615703 15.86775       10.16974 
1 1 1 2  36 9  o 44.83290 8.002968 23.83940       7.197870      25.78764       10.16628      21.88408       10.18754      46.85744 11.02050 42.80836 11.60769 4.049076       16.00594 
1 1 1 2  36 10 f 46.95817 7.729246 25.93642       7.141194      29.14571       10.10252      22.73422       10.10252      50.24001 10.40521 43.67633 11.43226 6.563671       15.45849 
1 1 1 2  36 11 o 40.98841 7.741023 19.95709       6.696286      13.69437       9.472000      26.21272       9.472000      34.41555 11.60280 47.56127 10.25031 -13.14571      15.48205 
1 1 1 2  36 12 o 22.55223 7.117232 -2.092058      6.727458      -7.169532      9.401155      2.983999       9.627860      19.75544 9.275187 25.34901 10.79773 -5.593563      14.23446 
1 1 1 2  36 13 o 46.04993 8.119327 27.16204       7.920490      14.84915       10.53468      39.47493       11.83823      34.71609 12.20343 57.38376 10.71309 -22.66768      16.23865 
1 1 1 2  36 14 o 36.51085 8.734014 15.69929       8.225125      24.57619       11.58319      6.825933       11.67529      43.81055 12.56414 29.21115 12.13566 14.59940       17.46803 
1 1 1 2  36 15 o 31.20473 8.955778 10.17337       8.742295      8.090520       12.10744      12.24913       12.61044      29.74981 12.35876 32.65965 12.96476 -2.909843      17.91156 
1 1 1 2  36 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  36 17 o 29.64647 8.579208 13.75105       8.104689      10.73304       10.69762      16.76197       12.18537      27.72995 11.57435 31.56298 12.66672 -3.833038      17.15842 
1 1 1 2  36 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  36 19 o 31.48705 7.007460 11.62569       6.053721      -0.3992126     8.338477      23.64812       8.777717      20.65801 9.366041 42.31608 10.42570 -21.65807      14.01492 
1 1 1 2  36 20 o 27.75405 7.122644 9.075267       5.640693      1.559302       7.658363      16.58486       8.281801      21.00384 9.279794 34.50425 10.80804 -13.50041      14.24529 
1 1 1 2  36 21 o 23.63838 7.010090 5.693827       5.599603      6.419281       7.757547      4.967664       8.083434      24.11130 9.945890 23.16546 9.881535 0.9458370      14.02018 
1 1 1 2  36 22 o 30.62639 7.345054 14.05568       5.391318      12.63170       7.594603      15.48676       7.651280      29.09666 10.34796 32.15611 10.42684 -3.059450      14.69011 
1 1 1 2  36 23 o 32.95873 7.259057 16.69112       5.297802      16.98159       7.729208      16.39357       7.247461      32.98501 10.45835 32.93246 10.06968 0.5254745E-01  14.51811 
1 1 1 2  37 0  o 27.01505 15.68329 11.80989       13.62353      11.80989       13.62353      11.80989       13.62353      27.01505 15.68329 27.01505 15.68329 0.000000       0.000000 
1 1 1 2  37 1  o 36.25330 9.342164 14.33198       9.202788      22.27372       13.37557      6.388110       12.64586      42.21862 13.78790 30.28797 12.60944 11.93065       18.68433 
1 1 1 2  37 2  o 74.78558 6.727503 62.33667       10.13795      73.89152       15.79847      50.79599       12.70254      81.65297 9.674159 67.91819 9.351354 13.73478       13.45501 
1 1 1 2  37 3  o 25.54021 8.049815 -2.029006      8.522675      3.789509       12.00826      -7.849646      12.09327      28.26326 12.04959 22.81716 10.67733 5.446108       16.09963 
1 1 1 2  37 4  f 30.04229 8.153984 8.685618       6.895361      8.876901       9.769550      8.487252       9.734127      30.21670 11.55696 29.86788 11.50593 0.3488197      16.30797 
1 1 1 2  37 5  o 27.77559 7.965804 5.091643       7.105771      9.649114       10.02459      0.5367231      10.06710      30.96076 11.74599 24.59042 10.76326 6.370340       15.93161 
1 1 1 2  37 6  o 53.05199 7.121262 32.64546       7.297054      41.97577       10.35756      23.31515       10.28672      62.15672 8.331814 43.94726 11.55120 18.20946       14.24252 
1 1 1 2  37 7  o 62.21967 5.763254 42.30874       7.141194      37.80299       10.01042      46.81450       10.19462      58.64965 8.534087 65.78970 7.747885 -7.140057      11.52651 
1 1 1 2  37 8  o 18.82171 6.362111 -9.634944      6.705496      -10.13795      9.457831      -9.139028      9.507423      18.61284 8.918249 19.03059 9.075828 -0.4177494     12.72422 
1 1 1 2  37 9  o 24.42684 7.800873 -1.508294      8.182618      0.5112896      11.54776      -3.527381      11.60444      25.33963 11.27144 23.51404 10.78745 1.825594       15.60175 
1 1 1 2  37 10 o 37.67216 9.211745 18.05135       8.501422      19.01485       11.51234      17.08077       12.50417      38.53888 12.79155 36.80545 13.25900 1.733425       18.42349 
1 1 1 2  37 11 o 45.23148 8.655315 25.86557       9.068183      41.15396       12.91508      10.57718       12.72379      58.23215 11.49859 32.23082 12.93988 26.00134       17.31063 
1 1 1 2  37 12 o 70.56754 6.858900 61.74865       9.188620      74.31659       12.92216      49.20906       13.06385      79.96206 8.080183 61.17302 11.08552 18.78904       13.71780 
1 1 1 2  37 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  37 14 o 40.87965 10.16251 35.69889       11.03059      16.09602       12.67420      55.29466       18.05135      30.34172 12.62717 51.41758 15.92675 -21.07585      20.32503 
1 1 1 2  37 15 o 39.98401 8.314807 21.79906       7.127024      19.05735       9.882903      24.54077       10.26547      37.33006 11.82498 42.63797 11.69247 -5.307907      16.62961 
1 1 1 2  37 16 o 24.17105 7.558677 3.346018       7.282885      7.658363       10.91016      -0.9642029     9.656199      26.88544 11.47453 21.45667 9.842227 5.428772       15.11735 
1 1 1 2  37 17 f 37.51067 7.148533 18.99359       6.074266      8.373900       7.962997      29.60620       9.174451      26.68303 10.38017 48.33831 9.831491 -21.65528      14.29707 
1 1 1 2  37 18 o 30.44443 7.287194 12.53960       5.687451      6.007671       7.778800      19.07152       8.303054      24.02917 9.939454 36.85969 10.65927 -12.83052      14.57439 
1 1 1 2  37 19 o 40.02179 6.674376 21.72113       5.773174      30.89558       7.885069      12.54668       8.430575      50.71152 7.774435 29.33207 10.85115 21.37946       13.34875 
1 1 1 2  37 20 o 23.55647 6.883499 6.542552       5.353062      9.209873       7.594603      3.874523       7.545012      25.65867 10.10039 21.45426 9.354806 4.204416       13.76700 
1 1 1 2  37 21 o 26.23111 6.511240 8.189702       5.243960      -2.702035      7.141194      19.08569       7.679617      17.05122 8.026411 35.41100 10.25484 -18.35978      13.02248 
1 1 1 2  38 0  f 53.82582 11.50667 34.90542       10.87473      34.90542       10.87473      34.90542       10.87473      53.82582 11.50667 53.82582 11.50667 0.000000       0.000000 
1 1 1 2  38 1  o 48.55909 8.107418 29.15279       7.757547      28.45142       10.90307      29.85416       11.03768      47.91772 11.50499 49.20047 11.42611 -1.282749      16.21484 
1 1 1 2  38 2  o 20.78476 6.884511 -7.552096      7.275800      -1.704535      10.60552      -13.39682      9.967916      23.44617 10.59997 18.12334 8.787868 5.322832       13.76902 
1 1 1 2  38 3  o 26.22456 8.329713 0.4156486      9.139028      2.449826       14.85623      -1.618812      10.63386      28.88786 12.82310 23.56125 10.63506 5.326611       16.65943 
1 1 1 2  38 4  o 94.51334 5.402098 96.98705       10.18754      104.5675       14.40991      89.40662       14.39574      98.51968 7.313213 90.50700 7.952833 8.012688       10.80420 
1 1 1 2  38 5  o 40.49805 9.292568 17.85299       10.67637      38.63188       15.13253      -2.919530      15.06169      54.08451 13.91269 26.91158 12.32251 27.17293       18.58514 
1 1 1 2  38 6  o 31.75869 9.515149 8.664365       10.63386      2.198326       13.96358      15.13253       16.03226      27.93301 12.41147 35.58437 14.42594 -7.651358      19.03030 
1 1 1 2  38 7  o 30.11130 9.395691 8.111773       11.43441      17.15162       16.13144      -0.9216958     16.20938      33.91016 14.18733 26.31244 12.32216 7.597729       18.79138 
1 1 1 2  38 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  38 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  38 10 o 26.16929 9.008669 5.348811       15.17504      -8.685618      21.28189      19.38324       21.64320      23.36508 11.62164 28.97350 13.76815 -5.608418      18.01734 
1 1 1 2  38 11 o 39.35382 8.117900 20.72930       7.212039      28.08303       10.05293      13.36848       10.34340      46.65210 10.95031 32.05553 11.98715 14.59657       16.23580 
1 1 1 2  38 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  38 13 o 24.66257 7.372969 5.236876       6.365439      1.827806       8.749379      8.643111       9.245295      22.22714 9.856831 27.09801 10.96748 -4.870867      14.74594 
1 1 1 2  38 14 o 31.62180 7.668517 12.92216       6.332850      19.41866       8.820225      6.423533       9.089437      37.67162 11.01611 25.57198 10.67099 12.09964       15.33703 
1 1 1 2  38 15 o 17.84305 5.949016 -5.821349      5.698077      -0.4802595     7.842561      -11.16520      8.267632      19.81618 9.013794 15.86991 7.766251 3.946278       11.89803 
1 1 1 2  38 16 o 39.47133 7.345795 22.19580       6.113231      15.04752       8.260548      29.34407       9.011506      32.09588 10.83544 46.84678 9.921495 -14.75090      14.69159 
1 1 1 2  38 17 o 25.97948 7.216126 8.990252       5.638568      12.30581       7.927575      5.680366       8.019674      28.79866 10.53922 23.16029 9.859757 5.638371       14.43225 
1 1 1 2  38 18 o 28.10759 7.408656 12.15703       5.588267      11.20771       7.729208      13.09927       8.069265      27.27405 10.32370 28.94113 10.62892 -1.667080      14.81731 
1 1 1 2  38 19 o 15.18432 5.228445 -7.084518      5.101561      -7.906322      6.739501      -6.264839      7.658363      14.38587 7.033439 15.98277 7.738041 -1.596892      10.45689 
1 1 1 2  39 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  39 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  39 2  o 34.65124 16.14918 45.99269       27.31082      45.99269       27.31082      ?              ?             34.65124 16.14918 ?        ?        ?              ?        
1 1 1 2  39 3  o 29.16755 8.637373 9.301972       9.330310      -3.244709      13.13470      21.85574       13.25513      22.76453 10.77405 35.57058 13.50321 -12.80605      17.27475 
1 1 1 2  39 4  o 22.70281 7.360290 -1.115103      7.580434      -2.565304      10.89599      0.3343893      10.54885      22.19283 10.28775 23.21279 10.52890 -1.019958      14.72058 
1 1 1 2  39 5  o 26.88034 8.022864 6.181242       7.438744      4.422864       10.73304      7.941744       10.29380      25.87509 11.21855 27.88558 11.47212 -2.010492      16.04573 
1 1 1 2  39 6  o 40.23467 7.865430 21.43067       7.644195      35.21006       10.76847      7.651280       10.85348      52.68868 10.59153 27.78066 11.63097 24.90802       15.73086 
1 1 1 2  39 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 2  39 8  o 31.20954 13.27176 0.000000       0.000000      ?              ?             14.14778       14.50201      ?        ?        31.20954 13.27176 ?              ?        
1 1 1 2  39 9  o 23.26028 7.398695 1.093850       7.282885      -3.278715      9.960832      5.465705       10.63386      20.82276 9.723161 25.69780 11.15450 -4.875032      14.79739 
1 1 1 2  39 10 o 43.22701 8.639979 28.64979       8.522675      13.12761       10.08835      44.17905       13.73688      30.94576 11.77069 55.50826 12.65100 -24.56250      17.27996 
1 1 1 2  39 11 o 24.00152 7.430999 4.075723       6.842936      2.057344       9.634944      6.094102       9.719957      22.79407 10.21287 25.20897 10.79705 -2.414900      14.86200 
1 1 1 2  39 12 o 31.65836 8.121401 15.13253       6.667239      12.79464       8.579351      17.46334       10.20879      29.88790 10.96136 33.42881 11.98654 -3.540911      16.24280 
1 1 1 2  39 13 o 22.89736 6.972743 4.483083       5.845435      5.989960       7.970083      2.976915       8.551013      23.74445 9.955266 22.05027 9.765719 1.694183       13.94549 
1 1 1 2  39 14 o 20.21646 6.466053 0.9684536      5.639277      -1.700993      7.941744      3.637192       8.012589      18.69948 8.712387 21.73344 9.556864 -3.033962      12.93211 
1 1 1 2  39 15 o 20.55251 6.470038 2.527048       5.391318      4.078557       7.587519      0.9748297      7.658363      21.48625 9.374824 19.61878 8.919544 1.867470       12.94008 
1 1 1 2  39 16 o 34.72281 7.449627 19.05735       5.634317      16.89658       7.545012      21.22522       8.373900      32.88073 10.31938 36.56490 10.74701 -3.684174      14.89925 
1 1 1 2  39 17 o 18.15387 5.901571 -0.4086350     5.081016      -6.424241      6.930784      5.606688       7.431659      14.90800 7.258466 21.39973 9.307460 -6.491726      11.80314 
1 1 1 2  40 0  o 60.52244 8.196551 40.58720       9.783719      40.58720       9.783719      40.58720       9.783719      60.52244 8.196551 60.52244 8.196551 0.000000       0.000000 
1 1 1 2  40 1  o 28.32434 8.205976 9.642029       7.431659      7.856731       10.10252      11.42024       10.88890      26.99226 11.25593 29.65642 11.94388 -2.664158      16.41195 
1 1 1 2  40 2  o 24.77586 7.646930 3.778882       7.318307      8.551013       10.53468      -0.9946662     10.15211      27.55544 11.49268 21.99629 10.09061 5.559147       15.29386 
1 1 1 2  40 3  o 22.16862 7.214432 -1.810094      7.488335      4.058721       10.88182      -7.679617      10.29380      24.93688 11.03387 19.40035 9.297621 5.536522       14.42886 
1 1 1 2  40 4  o 27.67738 8.123774 4.934367       8.522675      -10.36465      11.81698      20.23338       12.28455      19.82475 9.600559 35.53001 13.10771 -15.70526      16.24755 
1 1 1 2  40 5  o 24.99641 7.482969 6.145820       6.501462      4.874148       9.549930      7.417490       8.827310      24.29695 10.55895 25.69587 10.60603 -1.398912      14.96594 
1 1 1 2  40 6  o 17.86727 6.021142 -5.938951      5.981458      -4.783466      8.600604      -7.091603      8.317224      18.46972 8.730509 17.26483 8.294266 1.204887       12.04228 
1 1 1 2  40 7  o 31.88979 6.968605 12.82298       6.206038      -1.240499      8.310139      26.89283       9.216957      19.70693 9.077477 44.07264 10.57569 -24.36571      13.93721 
1 1 1 2  40 8  o 25.05692 7.302907 6.628275       6.204620      11.86657       8.763549      1.390691       8.784801      28.74585 10.95990 21.36800 9.654549 7.377844       14.60581 
1 1 1 2  40 9  o 20.55245 6.575349 0.8643113      5.861022      2.366937       7.998421      -0.6378192     8.565183      21.14840 9.395597 19.95650 9.201283 1.191896       13.15070 
1 1 1 2  40 10 o 26.37054 7.306271 9.309056       5.980042      2.831682       8.083434      15.79139       8.820225      21.22459 9.436001 31.51650 11.15743 -10.29191      14.61254 
1 1 1 2  40 11 f 26.59065 7.439123 10.50634       5.856062      10.79680       8.288886      10.21588       8.267632      26.83154 10.55517 26.34977 10.48573 0.4817715      14.87825 
1 1 1 2  40 12 o 30.97393 7.509194 15.32381       5.834100      10.40007       8.040927      20.24755       8.451830      26.21452 10.36955 35.73335 10.86390 -9.518833      15.01839 
1 1 1 2  40 13 o 16.98222 5.819051 -6.254212      6.120315      -3.448743      8.451830      -9.061099      8.855647      17.73904 8.482976 16.22539 7.967719 1.513649       11.63810 
1 1 1 2  41 0  o 19.25108 11.83259 6.692744       8.614774      6.692744       8.614774      6.692744       8.614774      19.25108 11.83259 19.25108 11.83259 0.000000       0.000000 
1 1 1 2  41 1  f 19.47642 6.384757 -1.639357      6.062222      2.884816       8.508506      -6.163530      8.636027      21.48997 9.613721 17.46287 8.404572 4.027100       12.76951 
1 1 1 2  41 2  o 21.49525 6.645889 1.168945       5.963747      -7.204955      8.572267      9.542846       8.295970      17.00141 8.223486 25.98909 10.44249 -8.987680      13.29178 
1 1 1 2  41 3  o 18.23696 6.110938 -3.759754      5.988543      -1.144150      8.395153      -6.375357      8.543928      19.23911 8.961424 17.23481 8.310662 2.004303       12.22188 
1 1 1 2  41 4  o 23.69538 7.107091 6.567348       5.916281      4.002044       8.295970      9.131943       8.437660      21.89104 9.666798 25.49971 10.42094 -3.608667      14.21418 
1 1 1 2  41 5  o 18.61464 6.136182 -3.171030      5.807179      -10.25838      8.133026      3.918447       8.288886      15.47508 7.610981 21.75421 9.627247 -6.279128      12.27236 
1 1 1 2  41 6  o 20.88653 6.842765 0.4461829      6.883317      5.537968       9.982086      -4.646027      9.479085      23.25203 10.40721 18.52103 8.887277 4.731003       13.68553 
1 1 1 2  41 7  o 20.18186 6.644075 -0.1856852     6.603478      3.869564       9.252379      -4.240792      9.429493      21.87679 9.895026 18.48693 8.869238 3.389864       13.28815 
1 1 1 2  41 8  o 27.54781 8.132473 14.00609       7.792970      24.41325       12.35540      3.607436       9.493254      33.53693 12.95384 21.55868 9.835979 11.97825       16.26495 
1 1 1 2  41 9  o 15.76364 5.516774 -11.28564      6.494378      -12.80881      9.146112      -9.769550      9.224042      15.34653 7.631254 16.18075 7.968887 -0.8342190     11.03355 
1 1 1 3  0  1  o 224.0599 2.417893 502.2214       10.83223      502.2214       10.83223      502.2214       10.83223      224.0599 2.417893 224.0599 2.417893 0.000000       0.000000 
1 1 1 3  0  2  o 687.4102 7.035567 4728.207       96.70367      4728.207       96.70367      4728.207       96.70367      687.4102 7.035567 687.4102 7.035567 0.000000       0.000000 
1 1 1 3  0  3  o 166.2516 1.890019 276.5087       6.282550      276.5087       6.282550      276.5087       6.282550      166.2516 1.890019 166.2516 1.890019 0.000000       0.000000 
1 1 1 3  0  4  o 869.5093 8.874943 7566.265       154.3008      7566.265       154.3008      7566.265       154.3008      869.5093 8.874943 869.5093 8.874943 0.000000       0.000000 
1 1 1 3  0  5  o 720.4459 7.371954 5193.660       106.1969      5193.660       106.1969      5193.660       106.1969      720.4459 7.371954 720.4459 7.371954 0.000000       0.000000 
1 1 1 3  0  6  o 798.7565 8.161793 6384.567       130.3551      6384.567       130.3551      6384.567       130.3551      798.7565 8.161793 798.7565 8.161793 0.000000       0.000000 
1 1 1 3  0  7  o 455.8542 5.442711 2079.306       49.60579      2079.306       49.60579      2079.306       49.60579      455.8542 5.442711 455.8542 5.442711 0.000000       0.000000 
1 1 1 3  0  8  o 26.62765 2.977788 7.353730       1.551509      7.353730       1.551509      7.353730       1.551509      26.62765 2.977788 26.62765 2.977788 0.000000       0.000000 
1 1 1 3  0  9  o 280.5953 3.456388 787.7984       19.39032      787.7984       19.39032      787.7984       19.39032      280.5953 3.456388 280.5953 3.456388 0.000000       0.000000 
1 1 1 3  0  10 o 155.2407 2.193549 241.1570       6.807514      241.1570       6.807514      241.1570       6.807514      155.2407 2.193549 155.2407 2.193549 0.000000       0.000000 
1 1 1 3  0  11 o 649.9161 6.672786 4228.040       86.71449      4228.040       86.71449      4228.040       86.71449      649.9161 6.672786 649.9161 6.672786 0.000000       0.000000 
1 1 1 3  0  12 o 263.4019 2.857134 694.1411       15.04752      694.1411       15.04752      694.1411       15.04752      263.4019 2.857134 263.4019 2.857134 0.000000       0.000000 
1 1 1 3  0  13 o 403.7548 4.870768 1631.564       39.31907      1631.564       39.31907      1631.564       39.31907      403.7548 4.870768 403.7548 4.870768 0.000000       0.000000 
1 1 1 3  0  14 o 219.8355 2.856345 483.5892       12.55377      483.5892       12.55377      483.5892       12.55377      219.8355 2.856345 219.8355 2.856345 0.000000       0.000000 
1 1 1 3  0  15 o 221.8409 2.891230 492.4449       12.82298      492.4449       12.82298      492.4449       12.82298      221.8409 2.891230 221.8409 2.891230 0.000000       0.000000 
1 1 1 3  0  16 o 196.9552 2.671889 388.1607       10.52051      388.1607       10.52051      388.1607       10.52051      196.9552 2.671889 196.9552 2.671889 0.000000       0.000000 
1 1 1 3  0  17 o 930.4374 11.00975 8671.450       204.8134      8671.450       204.8134      8671.450       204.8134      930.4374 11.00975 930.4374 11.00975 0.000000       0.000000 
1 1 1 3  0  18 o 158.1617 2.097132 250.2960       6.631108      250.2960       6.631108      250.2960       6.631108      158.1617 2.097132 158.1617 2.097132 0.000000       0.000000 
1 1 1 3  0  19 o 231.3072 3.111553 535.3770       14.38866      535.3770       14.38866      535.3770       14.38866      231.3072 3.111553 231.3072 3.111553 0.000000       0.000000 
1 1 1 3  0  20 o 375.1867 4.000364 1408.402       30.01002      1408.402       30.01002      1408.402       30.01002      375.1867 4.000364 375.1867 4.000364 0.000000       0.000000 
1 1 1 3  0  21 o 139.3971 2.624520 194.5409       7.311223      194.5409       7.311223      194.5409       7.311223      139.3971 2.624520 139.3971 2.624520 0.000000       0.000000 
1 1 1 3  0  22 o 452.3410 4.798451 2047.426       43.39976      2047.426       43.39976      2047.426       43.39976      452.3410 4.798451 452.3410 4.798451 0.000000       0.000000 
1 1 1 3  0  23 o 951.7066 9.780031 9075.268       186.1103      9075.268       186.1103      9075.268       186.1103      951.7066 9.780031 951.7066 9.780031 0.000000       0.000000 
1 1 1 3  0  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  25 o 176.8971 2.738804 313.2065       9.684536      313.2065       9.684536      313.2065       9.684536      176.8971 2.738804 176.8971 2.738804 0.000000       0.000000 
1 1 1 3  0  26 o 237.7346 2.830420 565.5571       13.45350      565.5571       13.45350      565.5571       13.45350      237.7346 2.830420 237.7346 2.830420 0.000000       0.000000 
1 1 1 3  0  27 o 179.2888 2.409387 321.7079       8.636027      321.7079       8.636027      321.7079       8.636027      179.2888 2.409387 179.2888 2.409387 0.000000       0.000000 
1 1 1 3  0  28 o 317.5685 3.511226 1009.544       22.29498      1009.544       22.29498      1009.544       22.29498      317.5685 3.511226 317.5685 3.511226 0.000000       0.000000 
1 1 1 3  0  29 o 188.4629 2.455630 355.5011       9.252379      355.5011       9.252379      355.5011       9.252379      188.4629 2.455630 188.4629 2.455630 0.000000       0.000000 
1 1 1 3  0  30 o 44.07290 3.661651 19.84373       3.184491      19.84373       3.184491      19.84373       3.184491      44.07290 3.661651 44.07290 3.661651 0.000000       0.000000 
1 1 1 3  0  31 o 212.3240 2.630188 451.3546       11.16520      451.3546       11.16520      451.3546       11.16520      212.3240 2.630188 212.3240 2.630188 0.000000       0.000000 
1 1 1 3  0  32 o 193.2695 2.493550 373.9917       9.634944      373.9917       9.634944      373.9917       9.634944      193.2695 2.493550 193.2695 2.493550 0.000000       0.000000 
1 1 1 3  0  33 o 76.45341 2.515797 58.69523       3.837683      58.69523       3.837683      58.69523       3.837683      76.45341 2.515797 76.45341 2.515797 0.000000       0.000000 
1 1 1 3  0  34 o 92.68856 2.332589 86.14774       4.318014      86.14774       4.318014      86.14774       4.318014      92.68856 2.332589 92.68856 2.332589 0.000000       0.000000 
1 1 1 3  0  35 o 164.9794 2.375787 272.6122       7.835476      272.6122       7.835476      272.6122       7.835476      164.9794 2.375787 164.9794 2.375787 0.000000       0.000000 
1 1 1 3  0  36 o 110.8472 2.720877 123.2706       6.023965      123.2706       6.023965      123.2706       6.023965      110.8472 2.720877 110.8472 2.720877 0.000000       0.000000 
1 1 1 3  0  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  38 f 46.43617 3.627283 22.03285       3.328306      22.03285       3.328306      22.03285       3.328306      46.43617 3.627283 46.43617 3.627283 0.000000       0.000000 
1 1 1 3  0  39 o 93.71368 2.263675 88.13139       4.237250      88.13139       4.237250      88.13139       4.237250      93.71368 2.263675 93.71368 2.263675 0.000000       0.000000 
1 1 1 3  0  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  0  41 o 56.51622 2.859822 32.31957       3.214954      32.31957       3.214954      32.31957       3.214954      56.51622 2.859822 56.51622 2.859822 0.000000       0.000000 
1 1 1 3  0  42 o 40.76025 3.393033 17.08786       2.728956      17.08786       2.728956      17.08786       2.728956      40.76025 3.393033 40.76025 3.393033 0.000000       0.000000 
1 1 1 3  0  43 o 41.61897 3.513985 17.89549       2.884816      17.89549       2.884816      17.89549       2.884816      41.61897 3.513985 41.61897 3.513985 0.000000       0.000000 
1 1 1 3  0  44 o 15.19264 7.091054 3.542259       2.384649      3.542259       2.384649      3.542259       2.384649      15.19264 7.091054 15.19264 7.091054 0.000000       0.000000 
1 1 1 3  0  45 f 39.39243 2.492491 15.84098       1.947534      15.84098       1.947534      15.84098       1.947534      39.39243 2.492491 39.39243 2.492491 0.000000       0.000000 
1 1 1 3  0  46 o 31.17019 8.616507 12.73796       4.639651      12.73796       4.639651      12.73796       4.639651      31.17019 8.616507 31.17019 8.616507 0.000000       0.000000 
1 1 1 3  1  0  o 574.4881 5.890480 3302.094       67.66422      3302.094       67.66422      3302.094       67.66422      574.4881 5.890480 574.4881 5.890480 0.000000       0.000000 
1 1 1 3  1  1  o 192.2797 1.503912 369.7410       5.785217      372.7874       8.239295      366.6946       8.118857      193.0717 2.133739 191.4876 2.119944 1.584183       3.007824 
1 1 1 3  1  2  o 928.1462 7.969045 8628.942       148.7040      8416.407       153.4507      8841.479       254.8301      917.0282 8.366736 939.2642 13.56541 -22.23596      15.93809 
1 1 1 3  1  3  o 826.9860 5.969594 6845.062       98.75818      6756.505       137.8647      6933.618       141.4070      821.6405 8.389601 832.3314 8.494633 -10.69086      11.93919 
1 1 1 3  1  4  o 601.6853 4.364729 3622.314       52.51044      3580.516       73.46645      3663.404       75.09589      598.2441 6.140173 605.1264 6.204976 -6.882263      8.729459 
1 1 1 3  1  5  o 253.9395 2.069986 644.9037       10.50634      637.1107       15.69221      652.7675       13.97067      252.3966 3.108640 255.4823 2.734176 -3.085617      4.139971 
1 1 1 3  1  6  o 364.6288 2.687625 1329.764       19.59578      1329.056       27.70046      1330.473       27.73589      364.5316 3.799460 364.7259 3.802292 -0.1942444     5.375250 
1 1 1 3  1  7  o 758.6784 5.485360 5760.422       83.24309      5718.623       116.8237      5802.220       118.5948      755.9281 7.727170 761.4287 7.787652 -5.500610      10.97072 
1 1 1 3  1  8  o 549.4642 4.117960 3020.838       45.12838      2947.868       70.08714      3094.517       56.87451      542.7612 6.456535 556.1672 5.113077 -13.40601      8.235921 
1 1 1 3  1  9  o 527.5757 3.964975 2785.633       41.73489      2726.123       65.00045      2845.142       52.36167      521.8965 6.227332 533.2549 4.909628 -11.35846      7.929950 
1 1 1 3  1  10 o 463.8377 3.515457 2152.985       32.65254      2172.822       52.03578      2133.148       39.45368      465.9328 5.584044 461.7427 4.272259 4.190094       7.030914 
1 1 1 3  1  11 o 409.1089 3.124331 1674.780       25.61762      1700.993       41.02644      1648.567       30.69013      412.2787 4.975572 405.9390 3.780141 6.339661       6.248662 
1 1 1 3  1  12 o 136.7189 1.391317 187.0313       3.820680      195.1076       5.994210      178.9549       4.739542      139.6706 2.145838 133.7673 1.771563 5.903305       2.782635 
1 1 1 3  1  13 o 508.6320 3.847365 2590.100       39.12779      2583.015       61.81950      2596.476       47.96927      507.9050 6.085735 509.3589 4.708789 -1.453918      7.694729 
1 1 1 3  1  14 o 220.1613 1.913472 484.8644       8.437660      492.7282       12.98592      477.0006       10.77555      221.9421 2.925520 218.3805 2.467151 3.561569       3.826944 
1 1 1 3  1  15 o 337.5490 2.749089 1139.899       18.56852      1144.858       28.23889      1134.940       24.10861      338.2719 4.173992 336.8260 3.578793 1.445892       5.498178 
1 1 1 3  1  16 o 60.16676 1.818045 37.09454       2.141650      48.46519       3.178823      25.73097       2.870647      69.61263 2.283223 50.72087 2.829847 18.89176       3.636089 
1 1 1 3  1  17 o 668.2075 5.614573 4471.748       75.09589      4337.142       103.0089      4606.354       109.2433      658.1605 7.825514 678.2546 8.053264 -20.09406      11.22915 
1 1 1 3  1  18 o 449.5389 3.328317 2021.921       29.92500      2034.674       42.58503      2009.169       42.05370      450.9558 4.721642 448.1220 4.692215 2.833801       6.656634 
1 1 1 3  1  19 o 291.2488 2.930630 848.7253       17.03118      871.3957       22.25956      826.0548       25.78764      295.1487 3.770906 287.3490 4.487165 7.799683       5.861261 
1 1 1 3  1  20 o 173.3608 1.600832 300.5961       5.552845      305.3427       7.934660      295.8494       7.764632      174.7296 2.270554 171.9921 2.257264 2.737518       3.201665 
1 1 1 3  1  21 o 148.2645 4.959873 0.000000       0.000000      ?              ?             219.9743       14.70746      ?        ?        148.2645 4.959873 ?              ?        
1 1 1 3  1  22 o 572.2906 4.221466 3278.715       48.32349      3233.374       67.43752      3323.347       69.22991      568.3672 5.932566 576.2141 6.007308 -7.846802      8.442932 
1 1 1 3  1  23 o 268.6376 2.206506 721.9124       11.85948      726.1631       16.81156      717.6617       16.71946      269.4286 3.119855 267.8467 3.121088 1.581848       4.413013 
1 1 1 3  1  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  25 o 698.6246 5.110771 4892.568       71.41194      4924.448       101.6628      4861.396       100.3168      700.8694 7.252624 696.3799 7.202734 4.489502       10.22154 
1 1 1 3  1  26 o 545.1765 4.030340 2978.331       43.95235      3018.713       63.00970      2937.950       61.28816      548.8647 5.740003 541.4882 5.659234 7.376465       8.060680 
1 1 1 3  1  27 o 110.6825 1.770340 122.6330       3.927657      125.5377       6.074266      119.6575       4.979708      112.0041 2.711625 109.3609 2.276731 2.643219       3.540680 
1 1 1 3  1  28 o 314.7408 2.678399 992.5410       16.85407      984.0396       25.46176      1000.334       22.07536      313.4117 4.062031 316.0700 3.492162 -2.658356      5.356799 
1 1 1 3  1  29 o 206.2153 1.991922 425.9212       8.189702      407.2181       12.15703      444.5535       10.98100      201.6784 3.013965 210.7522 2.605193 -9.073807      3.983845 
1 1 1 3  1  30 o 215.6323 2.187094 465.8071       9.443663      481.3221       13.92816      450.2919       12.75213      219.2154 3.176821 212.0491 3.006882 7.166351       4.374189 
1 1 1 3  1  31 o 318.2920 2.704556 1015.920       17.20829      1012.378       26.17729      1020.171       22.35165      317.6018 4.121087 318.9821 3.503590 -1.380310      5.409113 
1 1 1 3  1  32 o 182.8209 2.028008 334.9560       7.459997      344.3784       12.86548      325.5336       7.566265      185.3103 3.471337 180.3316 2.097876 4.978668       4.056015 
1 1 1 3  1  33 o 229.2378 2.032167 526.8047       9.294888      519.6494       14.79247      533.9601       11.27147      227.6031 3.249620 230.8724 2.441060 -3.269348      4.064333 
1 1 1 3  1  34 o 158.6075 1.698015 252.0671       5.396986      255.2552       8.813140      248.8083       6.232251      159.5754 2.761434 157.6395 1.976741 1.935898       3.396031 
1 1 1 3  1  35 o 226.0138 2.022187 512.2815       9.160281      520.1453       14.84915      504.4177       10.73304      227.6541 3.261340 224.3735 2.391781 3.280579       4.044373 
1 1 1 3  1  36 o 80.22911 1.897558 64.56121       3.056970      66.28983       4.992460      62.83258       3.530215      81.26833 3.071590 79.18988 2.228956 2.078453       3.795117 
1 1 1 3  1  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  38 o 125.2870 1.660415 157.5597       4.191200      164.0774       6.998086      150.9711       4.615563      127.8250 2.737370 122.7490 1.880083 5.076042       3.320829 
1 1 1 3  1  39 o 107.1367 1.608111 115.1943       3.444493      115.1943       5.721456      115.1943       3.838392      107.0638 2.671984 107.2095 1.790136 -0.1456757     3.216223 
1 1 1 3  1  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  1  41 o 37.54192 2.987719 14.51618       2.131023      11.38482       3.428198      17.64045       2.533424      33.28336 5.150018 41.80047 3.030377 -8.517105      5.975439 
1 1 1 3  1  42 o 57.56895 2.472443 33.81440       2.817513      37.58337       3.795884      30.04544       4.164988      60.88759 3.117125 54.25032 3.838676 6.637268       4.944887 
1 1 1 3  1  43 o 68.17382 2.148777 47.45210       2.903944      51.73115       3.852561      43.18014       4.345644      71.38654 2.698380 64.96110 3.344805 6.425446       4.297554 
1 1 1 3  1  44 o 42.65011 9.436831 22.34457       7.835476      22.34457       7.835476      ?              ?             42.65011 9.436831 ?        ?        ?              ?        
1 1 1 3  1  45 o 18.01492 4.981286 2.386065       2.953535      -2.843725      3.021547      7.615856       5.076057      11.04780 5.206444 24.98203 8.493867 -13.93423      9.962572 
1 1 1 3  1  46 o 57.27982 6.164342 37.67547       7.061847      37.67547       7.061847      ?              ?             57.27982 6.164342 ?        ?        ?              ?        
1 1 1 3  2  0  o 558.3801 6.637733 3120.022       74.10406      3120.022       74.10406      3120.022       74.10406      558.3801 6.637733 558.3801 6.637733 -0.000000      0.000000 
1 1 1 3  2  1  o 280.3464 2.109432 786.3815       11.83114      789.2153       16.79739      782.8392       16.65570      280.9149 2.989766 279.7780 2.976593 1.136902       4.218863 
1 1 1 3  2  2  o 759.4103 5.662516 5771.757       85.79351      5678.949       134.1099      5864.564       107.1888      753.2369 8.902241 765.5837 7.000461 -12.34680      11.32503 
1 1 1 3  2  3  o 251.6596 1.915428 633.3559       9.642029      627.9008       13.52434      638.8818       13.74396      250.5689 2.698728 252.7503 2.718882 -2.181366      3.830855 
1 1 1 3  2  4  o 440.2471 3.222458 1938.324       28.37349      1920.613       39.75831      1956.744       40.49511      438.1964 4.536586 442.2979 4.577808 -4.101593      6.444916 
1 1 1 3  2  5  o 335.8022 2.494973 1127.855       16.76197      1110.852       23.36474      1144.858       24.03068      333.2712 3.505365 338.3332 3.551334 -5.062012      4.989945 
1 1 1 3  2  6  o 451.7567 3.307529 2041.758       29.88250      2058.761       42.60629      2024.047       41.91909      453.6768 4.695666 449.8365 4.659369 3.840240       6.615059 
1 1 1 3  2  7  o 507.0198 3.696927 2571.680       37.49126      2594.351       53.47394      2549.010       52.56004      509.2539 5.250224 504.7858 5.206172 4.468140       7.393855 
1 1 1 3  2  8  o 108.8250 1.191352 118.5948       2.608519      127.3088       4.072889      109.8809       3.261003      112.8280 1.804910 104.8219 1.555498 8.006142       2.382703 
1 1 1 3  2  9  o 144.5121 1.401983 208.9933       4.070055      218.1323       6.390944      199.7834       5.041343      147.6848 2.163711 141.3394 1.783417 6.345413       2.803965 
1 1 1 3  2  10 o 367.8692 2.727953 1353.851       20.07044      1351.726       28.33099      1355.977       28.43725      367.5806 3.853710 368.1578 3.862102 -0.5771790     5.455906 
1 1 1 3  2  11 o 191.2455 2.055962 366.3404       7.941744      393.3325       12.96467      339.3484       9.188620      198.2942 3.269049 184.1968 2.494239 14.09732       4.111923 
1 1 1 3  2  12 o 963.9247 7.210036 9323.226       138.7857      9231.127       217.9906      9415.324       171.9413      958.7675 11.36827 969.0820 8.871346 -10.31458      14.42007 
1 1 1 3  2  13 o 341.8627 2.653588 1169.654       18.12220      1159.736       28.61437      1178.864       22.25247      340.4430 4.202519 343.2823 3.241132 -2.839325      5.307175 
1 1 1 3  2  14 o 147.7895 1.416420 218.4865       4.181283      216.5737       6.723916      220.3285       4.971914      147.1514 2.284693 148.4276 1.674862 -1.276215      2.832841 
1 1 1 3  2  15 o 307.0815 2.421235 943.6578       14.87040      942.9493       23.65520      943.6578       18.02301      307.0103 3.852510 307.1527 2.933885 -0.1423950     4.842470 
1 1 1 3  2  16 o 1052.603 9.859740 11129.78       207.5055      11087.27       320.5036      11172.29       263.5441      1050.125 15.26026 1055.081 12.48929 -4.955811      19.71948 
1 1 1 3  2  17 o 541.7517 4.696547 2937.241       50.81017      2918.821       85.65182      2956.369       54.69956      539.9176 7.931935 543.5858 5.031364 -3.668213      9.393094 
1 1 1 3  2  18 o 352.2393 3.334012 1243.333       23.93150      1350.309       41.35941      1137.065       24.09444      367.3262 5.629794 337.1524 3.573227 30.17374       6.668023 
1 1 1 3  2  19 o 274.5702 2.510461 753.7927       13.78647      767.2533       19.96417      741.0406       19.02901      276.9552 3.604224 272.1853 3.495600 4.769897       5.020921 
1 1 1 3  2  20 o 158.9415 1.924881 252.7756       6.164238      264.6776       10.08835      240.9445       7.082392      162.6694 3.100877 155.2137 2.281498 7.455734       3.849762 
1 1 1 3  2  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  22 o 383.4290 3.529361 1471.454       26.89283      1428.239       45.28424      1514.670       29.01110      377.7416 5.994076 389.1163 3.727818 -11.37469      7.058723 
1 1 1 3  2  23 f 190.2904 2.190110 362.2314       8.324308      359.8935       13.70854      364.5693       9.450747      189.6646 3.613890 190.9162 2.475103 -1.251572      4.380221 
1 1 1 3  2  24 o 278.7280 3.818377 777.8801       21.43775      811.1773       35.56428      745.2913       23.95984      284.5701 6.248773 272.8859 4.390085 11.68427       7.636754 
1 1 1 3  2  25 o 79.36102 1.955698 63.09472       3.120022      67.75633       4.818889      58.42602       3.964496      82.29739 2.927729 76.42464 2.593729 5.872757       3.911397 
1 1 1 3  2  26 o 394.0271 3.562527 1555.760       28.33099      1617.395       48.96111      1494.125       28.52227      401.6856 6.094456 386.3687 3.691069 15.31696       7.125053 
1 1 1 3  2  27 o 231.1088 2.045555 534.5977       9.436578      528.3633       15.11128      540.7612       11.31397      229.7414 3.288758 232.4762 2.433362 -2.734772      4.091110 
1 1 1 3  2  28 o 134.9305 2.255134 183.2056       5.892902      156.4970       9.627860      209.9851       6.801137      124.9964 3.851256 144.8645 2.347413 -19.86817      4.510268 
1 1 1 3  2  29 o 167.7964 2.213341 283.1682       7.204955      245.4077       11.90907      320.9286       8.104689      156.5076 3.804632 179.0851 2.262803 -22.57758      4.426681 
1 1 1 3  2  30 o 136.1577 1.665496 185.6144       4.514963      178.9549       7.067515      192.2738       5.620148      133.6986 2.643078 138.6168 2.027225 -4.918228      3.330991 
1 1 1 3  2  31 o 204.4034 1.890055 418.5533       7.693786      405.5178       12.25622      431.5889       9.294888      201.1724 3.046198 207.6344 2.238282 -6.462021      3.780110 
1 1 1 3  2  32 o 128.5745 1.795636 165.8486       4.707662      179.3800       8.203872      152.3171       4.613438      133.7834 3.066103 123.3656 1.869824 10.41782       3.591271 
1 1 1 3  2  33 o 140.5567 1.620325 197.8706       4.555345      198.2248       7.587519      197.5164       5.045594      140.6403 2.697492 140.4732 1.795928 0.1671143      3.240651 
1 1 1 3  2  34 o 126.0232 1.575845 159.1183       3.958120      156.4261       6.602063      161.7395       4.367605      124.9300 2.642305 127.1164 1.717955 -2.186447      3.151689 
1 1 1 3  2  35 o 91.15248 1.786581 83.24309       3.268088      84.80168       5.461455      81.75533       3.590434      91.94788 2.969865 90.35708 1.986802 1.590797       3.573161 
1 1 1 3  2  36 o 90.80023 1.975589 82.81801       3.591142      87.98971       5.265922      77.57547       4.883358      93.65704 2.811279 87.94341 2.776421 5.713631       3.951177 
1 1 1 3  2  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  38 o 116.4277 1.861382 136.3061       4.349185      146.2953       6.594978      126.2461       5.672574      120.6985 2.732006 112.1569 2.528856 8.541527       3.722763 
1 1 1 3  2  39 o 52.04685 2.314100 27.37458       2.413695      30.44926       3.611687      24.30698       3.202911      54.97382 3.284916 49.11988 3.260300 5.853935       4.628199 
1 1 1 3  2  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  41 o 121.5019 2.208093 149.1999       5.363688      149.1291       6.515631      149.1999       8.522675      121.6532 2.677952 121.3506 3.511591 0.3026123      4.416186 
1 1 1 3  2  42 o 49.56094 4.221156 26.52443       4.162862      35.14629       6.512089      17.90966       5.187284      57.97189 5.616592 41.14999 6.302898 16.82190       8.442312 
1 1 1 3  2  43 o 45.46508 5.667387 24.37074       4.851478      18.50476       7.339560      30.23672       6.346311      38.23712 9.602762 52.69304 6.021963 -14.45592      11.33477 
1 1 1 3  2  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  2  45 o 56.48597 3.740457 34.65746       4.262754      31.47651       5.102270      37.83133       6.829475      54.35157 4.693766 58.62037 5.825172 -4.268803      7.480914 
1 1 1 3  2  46 o 36.67687 6.252540 18.09386       4.553928      19.64537       6.900320      16.54235       5.945328      37.91975 9.183026 35.43399 8.488171 2.485767       12.50508 
1 1 1 3  3  0  o 193.5312 2.208022 374.7001       8.543928      374.7001       8.543928      374.7001       8.543928      193.5312 2.208022 193.5312 2.208022 0.000000       0.000000 
1 1 1 3  3  1  o 1002.384 7.240272 10060.02       145.1618      10052.93       205.2385      10067.10       205.3093      1002.030 10.24113 1002.737 10.23745 -0.7063599     14.48054 
1 1 1 3  3  2  o 447.5034 3.282419 2003.502       29.37949      1982.248       41.11854      2024.047       41.97577      445.1695 4.618302 449.8374 4.665660 -4.667908      6.564838 
1 1 1 3  3  3  o 398.7057 2.941516 1590.474       23.45684      1560.011       32.56753      1620.229       33.77898      394.9312 4.123189 402.4801 4.196354 -7.548859      5.883033 
1 1 1 3  3  4  o 345.1064 2.571014 1191.616       17.74672      1169.654       24.66121      1212.870       25.53260      341.9767 3.605685 348.2361 3.665990 -6.259399      5.142028 
1 1 1 3  3  5  o 436.3264 3.312255 1904.318       28.87649      1889.441       45.45426      1919.196       35.62804      434.6084 5.229337 438.0445 4.066715 -3.436096      6.624510 
1 1 1 3  3  6  o 348.9307 2.808944 1217.829       19.63120      1235.540       30.13754      1200.117       25.15004      351.4626 4.287447 346.3989 3.630214 5.063660       5.617887 
1 1 1 3  3  7  o 484.5245 3.655175 2348.518       35.33049      2294.675       54.94043      2403.069       44.42701      478.9120 5.735964 490.1371 4.532101 -11.22510      7.310351 
1 1 1 3  3  8  o 505.6847 3.698279 2558.219       37.40625      2577.348       53.25432      2539.800       52.53878      507.5392 5.246326 503.8302 5.213937 3.708923       7.396558 
1 1 1 3  3  9  f 397.8234 2.944352 1583.390       23.42850      1600.393       33.47435      1566.387       32.78715      399.9585 4.184727 395.6883 4.143053 4.270264       5.888704 
1 1 1 3  3  10 o 512.7548 3.752669 2631.898       38.49018      2583.724       53.44560      2679.365       55.40801      508.0992 5.259367 517.4103 5.354360 -9.311035      7.505338 
1 1 1 3  3  11 o 203.1646 1.791776 412.9565       7.268716      401.3379       10.82514      424.5043       9.698705      200.3117 2.702074 206.0175 2.353855 -5.705750      3.583551 
1 1 1 3  3  12 o 102.2476 1.170784 104.5675       2.394567      102.3004       3.332557      106.8345       3.439533      101.1391 1.647512 103.3560 1.663925 -2.216919      2.341568 
1 1 1 3  3  13 o 252.7027 2.357062 639.0235       11.99409      658.4351       20.68679      619.5411       12.15703      256.5259 4.032105 248.8795 2.442353 7.646454       4.714124 
1 1 1 3  3  14 o 221.6774 1.862089 491.5238       8.260548      493.9326       13.28347      489.1151       9.826226      222.2133 2.988901 221.1415 2.221705 1.071777       3.724178 
1 1 1 3  3  15 o 625.8116 4.712169 3921.281       58.87943      3870.272       92.38211      3972.289       73.04137      621.6495 7.430402 629.9737 5.797177 -8.324219      9.424338 
1 1 1 3  3  16 o 431.1791 3.823629 1860.395       33.02094      1873.146       56.32900      1847.642       34.48035      432.5935 6.510617 429.7647 4.011538 2.828766       7.647259 
1 1 1 3  3  17 o 83.84669 1.468897 70.50512       2.429989      63.39935       3.760462      77.57547       3.078223      79.61919 2.361530 88.07420 1.747517 -8.455009      2.937795 
1 1 1 3  3  18 o 294.4292 2.466051 867.1450       14.51618      865.0197       22.28789      869.2704       18.61103      294.0604 3.789679 294.7979 3.156574 -0.7375183     4.932102 
1 1 1 3  3  19 o 44.87514 2.005810 20.17671       1.829931      21.77781       3.127106      18.56852       1.900776      46.66125 3.350860 43.08903 2.205638 3.572224       4.011621 
1 1 1 3  3  20 o 555.1569 4.434331 3086.016       49.37909      3184.491       76.93786      2987.541       61.93286      563.9635 6.821174 546.3503 5.667871 17.61316       8.868662 
1 1 1 3  3  21 f 395.5695 3.110471 1565.678       24.55494      1539.466       38.70980      1591.891       30.22255      392.2312 4.934566 398.9077 3.788164 -6.676544      6.220942 
1 1 1 3  3  22 o 874.5796 7.544197 7672.533       131.9137      7672.533       223.0206      7672.533       140.9819      873.9999 12.75862 875.1592 8.054643 -1.159363      15.08839 
1 1 1 3  3  23 o 375.9957 3.324857 1416.195       25.05794      1489.874       37.56211      1341.808       33.17680      385.8217 4.867807 366.1696 4.530251 19.65219       6.649715 
1 1 1 3  3  24 o 680.7023 5.400083 4646.027       73.46645      4610.604       110.5893      4680.741       96.77451      678.0091 8.155445 683.3956 7.080417 -5.386475      10.80017 
1 1 1 3  3  25 o 333.7961 2.809582 1115.103       18.73855      1099.517       28.25306      1130.689       24.61870      331.4440 4.262115 336.1481 3.661882 -4.704102      5.619165 
1 1 1 3  3  26 o 166.3328 1.803966 276.7921       6.004128      277.9965       9.386987      275.5877       7.488335      166.6865 2.815761 165.9791 2.255807 0.7073975      3.607932 
1 1 1 3  3  27 o 226.5636 2.522559 514.6902       11.26438      476.3630       18.43391      552.9466       12.95050      218.0665 4.226673 235.0608 2.754713 -16.99425      5.045117 
1 1 1 3  3  28 o 330.5448 2.800714 1094.558       18.53310      1105.185       28.53644      1083.931       23.64812      332.0979 4.296389 328.9917 3.594030 3.106201       5.601429 
1 1 1 3  3  29 o 84.39761 1.905947 71.55363       3.208578      79.84251       4.634692      63.23640       4.439159      89.31488 2.594580 79.48034 2.792614 9.834541       3.811895 
1 1 1 3  3  30 o 91.40775 2.273207 83.73900       4.143026      85.08506       4.728916      82.32210       6.803971      92.19082 2.564743 90.62469 3.753928 1.566132       4.546414 
1 1 1 3  3  31 o 233.9949 2.548019 549.3335       11.89491      571.7206       16.18104      526.9465       17.44917      238.8038 3.387936 229.1861 3.806769 9.617737       5.096037 
1 1 1 3  3  32 o 301.1677 2.799096 911.0690       16.87532      942.2409       24.83832      879.1887       22.85465      306.3544 4.053854 295.9810 3.860832 10.37347       5.598192 
1 1 1 3  3  33 o 154.5490 2.048891 239.5276       6.322932      249.8709       8.706873      229.2550       9.167366      157.8938 2.757193 151.2042 3.031453 6.689606       4.097783 
1 1 1 3  3  34 o 180.2042 1.996946 325.6044       7.197870      324.1167       10.30089      327.0922       10.05293      179.7856 2.864771 180.6229 2.782851 -0.8373260     3.993892 
1 1 1 3  3  35 o 51.15188 3.088278 26.49610       3.286508      22.55711       2.850101      30.43509       5.923365      47.41844 3.005267 54.88532 5.396129 -7.466881      6.176556 
1 1 1 3  3  36 o 122.7103 2.302671 151.1836       5.656280      150.0501       6.308055      152.3880       9.394071      122.3326 2.578240 123.0879 3.816000 -0.7553558     4.605342 
1 1 1 3  3  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  38 o 212.2123 3.688651 457.5182       15.72054      443.2783       18.37724      471.7580       25.50426      209.3865 4.388354 215.0382 5.930171 -5.651718      7.377301 
1 1 1 3  3  39 o 83.94407 3.987711 72.26208       6.746586      65.26257       8.359732      79.20491       10.59135      80.01502 5.223851 87.87312 6.026505 -7.858093      7.975423 
1 1 1 3  3  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  41 o 88.67529 5.991961 0.000000       0.000000      ?              ?             81.75533       10.62678      ?        ?        88.67529 5.991961 ?              ?        
1 1 1 3  3  42 o 117.2156 5.578616 0.000000       0.000000      ?              ?             143.8157       13.07802      ?        ?        117.2156 5.578616 ?              ?        
1 1 1 3  3  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  3  45 o 63.01845 4.350373 44.24281       5.431700      45.58887       6.626858      42.89676       8.607689      64.99751 5.097779 61.03938 7.050931 3.958130       8.700746 
1 1 1 3  3  46 o 83.47017 4.057442 74.24575       6.773507      74.24575       6.773507      ?              ?             83.47017 4.057442 ?        ?        ?              ?        
1 1 1 3  4  0  o 302.1299 3.240258 913.1944       19.57452      913.1944       19.57452      913.1944       19.57452      302.1299 3.240258 302.1299 3.240258 -0.000000      0.000000 
1 1 1 3  4  1  o 252.7712 1.963948 639.0235       9.932493      648.3751       14.23280      629.6719       13.85023      254.6207 2.794901 250.9217 2.759871 3.699005       3.927896 
1 1 1 3  4  2  o 293.1272 2.402267 860.0605       14.05568      824.6379       20.50259      894.7746       19.23446      287.1442 3.570087 299.1102 3.215281 -11.96597      4.804534 
1 1 1 3  4  3  o 443.7735 3.269114 1969.496       29.01818      1956.744       40.77140      1982.957       41.29565      442.2975 4.609047 445.2495 4.637362 -2.952026      6.538229 
1 1 1 3  4  4  f 326.0157 2.458129 1062.678       16.02518      1053.468       22.47918      1072.596       22.85465      324.5493 3.463138 327.4821 3.489451 -2.932861      4.916258 
1 1 1 3  4  5  o 595.0792 4.335072 3542.968       51.63196      3457.953       71.27025      3628.690       74.67081      587.9127 6.061295 602.2458 6.199364 -14.33307      8.670144 
1 1 1 3  4  6  o 197.6272 1.623534 390.5695       6.418573      394.8202       9.167366      386.3896       8.983169      198.6936 2.306911 196.5609 2.285085 2.132660       3.247068 
1 1 1 3  4  7  o 276.8387 2.132506 766.5449       11.80989      775.7547       16.88949      757.3350       16.50693      278.5016 3.032207 275.1758 2.999342 3.325806       4.265012 
1 1 1 3  4  8  o 458.4579 3.492721 2102.685       32.05036      2115.437       50.96602      2090.641       38.87275      459.7758 5.542486 457.1400 4.251734 2.635895       6.985441 
1 1 1 3  4  9  o 241.6364 1.978024 584.0477       9.564099      586.8814       15.27422      581.1430       11.51943      242.2228 3.152928 241.0499 2.389428 1.172928       3.956048 
1 1 1 3  4  10 o 418.8301 3.219520 1755.544       27.06286      1799.468       43.65480      1711.620       32.00077      424.0347 5.147551 413.6254 3.868327 10.40927       6.439039 
1 1 1 3  4  11 o 352.7755 2.741550 1245.458       19.33365      1239.791       30.58386      1250.417       23.65520      352.0013 4.344282 353.5497 3.345386 -1.548401      5.483101 
1 1 1 3  4  12 o 223.7171 1.870482 500.6629       8.345562      490.7446       13.15595      510.5812       10.27963      221.4940 2.969821 225.9403 2.274856 -4.446365      3.740964 
1 1 1 3  4  13 f 253.5401 2.451123 643.2034       12.50417      659.4977       21.72822      626.9090       12.39082      256.7257 4.231795 250.3545 2.474656 6.371277       4.902246 
1 1 1 3  4  14 o 364.3727 2.834448 1328.347       20.63720      1321.263       32.66671      1335.432       25.24214      363.3776 4.494872 365.3677 3.454347 -1.990173      5.668897 
1 1 1 3  4  15 o 211.4825 2.504652 449.5835       10.78972      512.7066       17.82465      386.5313       12.17829      226.3853 3.936795 196.5798 3.097543 29.80545       5.009304 
1 1 1 3  4  16 o 239.4321 2.103093 573.4209       10.06710      573.3500       15.44425      573.4209       12.92925      239.4207 3.225337 239.4435 2.699853 -0.2275085E-01 4.206187 
1 1 1 3  4  17 o 882.8857 6.932362 7814.223       122.4913      7842.562       185.9686      7778.800       159.3308      884.5541 10.51200 881.2173 9.040381 3.336792       13.86472 
1 1 1 3  4  18 o 622.4366 6.446454 3882.316       80.26759      3822.097       112.0062      3942.534       114.9817      617.6158 9.067630 627.2575 9.165433 -9.641724      12.89291 
1 1 1 3  4  19 o 499.1425 4.011735 2493.750       40.11962      2546.176       61.95411      2440.616       51.00144      504.3970 6.141403 493.8880 5.163260 10.50906       8.023471 
1 1 1 3  4  20 o 287.9796 2.663862 830.3055       15.35215      798.4252       21.16854      861.4774       22.23122      282.5088 3.746528 293.4505 3.787899 -10.94174      5.327725 
1 1 1 3  4  21 f 410.1008 3.372420 1682.573       27.62962      1657.777       41.54361      1708.077       36.44276      407.0185 5.103407 413.1831 4.410002 -6.164612      6.744841 
1 1 1 3  4  22 o 374.3991 3.390493 1402.734       25.39091      1421.154       36.54903      1384.315       35.25965      376.8546 4.849221 371.9437 4.739917 4.910919       6.780985 
1 1 1 3  4  23 o 466.7171 4.073338 2181.323       38.03678      2235.166       55.23799      2127.481       52.31208      472.4693 5.845669 460.9648 5.674194 11.50449       8.146676 
1 1 1 3  4  24 o 324.2205 2.973167 1052.051       19.27697      1058.427       27.55877      1045.675       26.97076      325.2009 4.237192 323.2400 4.171941 1.960907       5.946334 
1 1 1 3  4  25 o 198.0409 2.578489 392.4823       10.18754      386.7438       16.51401      398.2207       11.93741      196.5716 4.200508 199.5102 2.991680 -2.938568      5.156977 
1 1 1 3  4  26 o 311.8979 2.679945 974.1212       16.76905      1005.293       26.27648      942.9493       20.84974      316.8559 4.146439 306.9398 3.396388 9.916077       5.359889 
1 1 1 3  4  27 o 60.90346 1.874344 37.84549       2.191241      27.42417       3.224873      48.27390       2.967704      52.34331 3.080502 69.46361 2.136158 -17.12030      3.748688 
1 1 1 3  4  28 o 421.6213 3.467759 1782.465       29.30157      1821.429       45.39051      1744.208       37.05911      426.0822 5.326497 417.1605 4.441829 8.921631       6.935518 
1 1 1 3  4  29 o 257.4437 3.109265 664.8820       16.07477      696.1247       24.94459      633.6393       20.27589      263.4422 4.734357 251.4453 4.031869 11.99692       6.218529 
1 1 1 3  4  30 o 170.0551 3.235502 290.3944       10.95975      303.4299       14.20446      277.3589       16.68404      173.9373 4.083211 166.1728 5.020088 7.764572       6.471004 
1 1 1 3  4  31 o 131.5033 3.247752 173.9249       8.579351      164.4317       10.80389      183.3473       13.33306      127.9730 4.221160 135.0337 4.936940 -7.060684      6.495504 
1 1 1 3  4  32 o 137.8480 3.250367 191.7779       8.876901      216.7154       12.23496      166.9112       12.85840      146.8980 4.164442 128.7980 4.991691 18.09996       6.500735 
1 1 1 3  4  33 o 38.42917 7.655594 16.06769       6.362606      22.46501       10.31506      9.677451       7.452912      45.64711 11.33600 31.21124 10.29212 14.43587       15.31119 
1 1 1 3  4  34 o 169.0604 4.013059 289.8985       13.51726      258.1598       18.99359      321.6371       19.23446      159.6855 5.947186 178.4352 5.389762 -18.74968      8.026117 
1 1 1 3  4  35 o 65.63881 5.976250 44.22156       7.807138      43.38559       12.83715      45.05753       8.876901      64.69863 9.920725 66.57899 6.666442 -1.880363      11.95250 
1 1 1 3  4  36 o 190.2218 4.270076 367.4031       16.27314      378.5258       24.63287      356.2095       21.27481      192.9462 6.383350 187.4973 5.673363 5.448929       8.540153 
1 1 1 3  4  37 o 31.91508 7.501637 5.047010       7.424574      -6.113231      12.87257      16.20938       7.389152      25.30533 11.52064 38.52483 9.611087 -13.21950      15.00327 
1 1 1 3  4  38 o 199.0573 3.821682 403.1091       15.26714      412.6023       25.58219      393.6867       16.66279      200.7345 6.372148 197.3801 4.220990 3.354431       7.643364 
1 1 1 3  4  39 o 105.8379 4.041561 114.6983       8.593520      118.2406       14.67204      111.1561       8.954830      106.9347 6.860278 104.7411 4.274746 2.193642       8.083122 
1 1 1 3  4  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  41 o 28.62678 6.956477 5.401237       6.050887      -2.059469      10.37882      12.85840       6.223749      23.54618 10.57358 33.70738 9.042662 -10.16120      13.91295 
1 1 1 3  4  42 o 104.3646 3.922293 114.2733       8.253463      120.7910       13.97775      107.6847       8.777717      106.4061 6.568115 102.3230 4.289219 4.083092       7.844586 
1 1 1 3  4  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  4  45 o 91.65723 4.046239 92.45296       7.155363      83.17223       11.91616      101.7337       7.934660      84.91415 7.016593 98.40031 4.031826 -13.48616      8.092478 
1 1 1 3  4  46 o 18.15800 5.875512 -0.1387857     4.827391      8.253463       8.317224      -8.529759      4.903194      24.60408 10.23355 11.71193 5.775893 12.89216       11.75102 
1 1 1 3  5  0  o 89.73926 1.723616 80.62181       3.090975      80.62181       3.090975      80.62181       3.090975      89.73926 1.723616 89.73926 1.723616 0.000000       0.000000 
1 1 1 3  5  1  o 373.7866 2.799349 1397.775       20.92767      1391.399       29.45742      1403.443       29.73372      372.9814 3.948914 374.5918 3.968817 -1.610382      5.598699 
1 1 1 3  5  2  o 129.8312 1.562766 169.1074       4.006295      150.6877       6.090560      187.4563       5.205703      122.7506 2.480869 136.9118 1.901115 -14.16129      3.125532 
1 1 1 3  5  3  o 210.8062 1.883408 444.4826       7.955913      434.7769       10.13795      454.1884       12.26330      208.5058 2.431094 213.1066 2.877269 -4.600815      3.766815 
1 1 1 3  5  4  o 1455.265 10.50686 21232.30       305.8386      21303.15       433.7142      21168.54       431.2346      1457.566 14.87803 1452.964 14.83983 4.601929       21.01372 
1 1 1 3  5  5  o 189.1113 1.611229 357.6265       6.093394      360.4603       8.671450      354.8635       8.565183      189.8511 2.283751 188.3715 2.273482 1.479584       3.222458 
1 1 1 3  5  6  o 192.4962 1.776555 370.5911       6.843644      373.1416       10.47800      368.0407       8.806056      193.1569 2.712304 191.8354 2.295211 1.321426       3.553109 
1 1 1 3  5  7  o 87.93228 1.280108 77.29209       2.251460      77.92970       3.209286      76.72533       3.158278      88.27465 1.817785 87.58992 1.802878 0.6847305      2.560217 
1 1 1 3  5  8  f 654.4451 4.770684 4288.259       62.45003      4323.681       89.05238      4252.836       87.56464      657.1447 6.775706 651.7455 6.717702 5.399231       9.541368 
1 1 1 3  5  9  o 546.1959 4.010281 2986.124       43.81066      3004.544       62.38626      2967.705       61.52195      547.8785 5.693440 544.5132 5.649261 3.365234       8.020562 
1 1 1 3  5  10 o 437.7667 3.358245 1917.779       29.36533      1896.526       46.17689      1939.033       36.27982      435.3036 5.303987 440.2299 4.120553 -4.926361      6.716490 
1 1 1 3  5  11 f 259.4301 2.130236 673.2417       11.05185      674.0919       17.64754      672.3916       13.31889      259.5833 3.399205 259.2769 2.568469 0.3063354      4.260473 
1 1 1 3  5  12 o 263.3743 2.157998 693.9285       11.34231      683.3018       17.93800      704.5553       13.89274      261.3461 3.431848 265.4025 2.617296 -4.056427      4.315996 
1 1 1 3  5  13 o 325.4207 2.582512 1059.844       16.82573      1069.054       26.92825      1049.926       20.19088      326.8694 4.119115 323.9720 3.116146 2.897461       5.165024 
1 1 1 3  5  14 o 322.8562 2.558099 1042.841       16.47859      1023.713       25.90808      1061.969       20.37507      319.8795 4.049663 325.8328 3.126615 -5.953247      5.116199 
1 1 1 3  5  15 o 798.5653 6.280788 6389.527       100.2459      6340.644       150.8294      6437.702       132.1263      795.4279 9.481023 801.7028 8.240352 -6.274963      12.56158 
1 1 1 3  5  16 o 198.0851 1.783063 392.4823       7.091603      401.6922       11.59735      383.2724       8.161365      200.4055 2.893473 195.7648 2.084483 4.640701       3.566126 
1 1 1 3  5  17 o 307.7595 3.018226 947.2001       18.58978      951.4508       30.94518      943.6578       20.61595      308.3680 5.017573 307.1509 3.355996 1.217072       6.036451 
1 1 1 3  5  18 o 182.9796 3.052189 335.0977       11.03059      321.2829       19.58161      348.9125       10.16628      179.1830 5.464137 186.7763 2.721513 -7.593323      6.104378 
1 1 1 3  5  19 o 458.1304 4.147859 2101.268       38.44059      2199.743       67.05496      2003.502       37.61171      468.7447 7.152610 447.5161 4.202274 21.22858       8.295718 
1 1 1 3  5  20 o 782.6133 6.988168 6145.111       108.6057      5870.940       172.5788      6418.573       132.0554      764.8396 11.28203 800.3870 8.249473 -35.54736      13.97634 
1 1 1 3  5  21 o 604.4534 7.159439 3663.404       86.78535      3697.410       156.2136      3629.398       75.52096      606.7673 12.87261 602.1395 6.271052 4.627869       14.31888 
1 1 1 3  5  22 o 563.0173 5.182465 3175.281       58.25599      3146.943       95.35760      3203.619       66.96286      560.3402 8.508903 565.6945 5.918642 -5.354248      10.36493 
1 1 1 3  5  23 f 78.18240 3.200835 61.55029       5.302762      71.19940       10.08127      51.91535       3.299968      84.31998 5.977983 72.04481 2.290219 12.27518       6.401671 
1 1 1 3  5  24 o 634.1178 5.799477 4033.925       73.82067      4127.440       122.9164      3941.117       81.89703      641.0766 9.586717 627.1589 6.529209 13.91766       11.59895 
1 1 1 3  5  25 o 66.98102 3.625542 45.31258       4.521339      36.93867       8.260548      53.68648       3.672614      60.70311 6.804057 73.25892 2.506599 -12.55581      7.251084 
1 1 1 3  5  26 o 409.9650 4.483863 1686.824       36.80407      1735.707       54.60038      1637.941       49.37200      415.8564 6.564812 404.0737 6.109283 11.78268       8.967726 
1 1 1 3  5  27 o 58.53299 6.140668 34.54411       7.226208      35.91851       11.68946      33.16262       8.501422      59.63972 9.800057 57.42625 7.402034 2.213470       12.28134 
1 1 1 3  5  28 o 151.9465 3.921127 231.8763       11.95867      243.4240       18.42683      220.3285       15.25297      155.6937 5.917654 148.1994 5.146097 7.494354       7.842254 
1 1 1 3  5  29 o 274.1338 4.822292 756.6265       26.42525      729.7053       37.32124      783.5477       37.42751      269.2261 6.931207 279.0415 6.706441 -9.815399      9.644584 
1 1 1 3  5  30 o 119.9121 3.676456 144.5950       8.713958      137.5105       14.68620      151.6795       9.386987      116.8336 6.285095 122.9907 3.816138 -6.157074      7.352912 
1 1 1 3  5  31 o 260.6889 4.132463 685.0729       21.61486      698.1793       36.16647      671.8957       23.67646      262.7947 6.881125 258.5831 4.578115 4.211639       8.264927 
1 1 1 3  5  32 f 73.91263 4.715830 55.27341       7.006588      56.69031       12.24913      53.85650       6.807514      74.64349 8.205091 73.18178 4.651099 1.461708       9.431661 
1 1 1 3  5  33 o 350.5190 4.099260 1241.208       28.73480      1239.791       41.16105      1241.916       40.11254      350.3225 5.874737 350.7156 5.718671 -0.3930664     8.198520 
1 1 1 3  5  34 o 29.66785 6.438655 7.495420       4.859979      1.185240       7.707955      13.81481       5.923365      23.31379 9.783154 36.02191 8.373470 -12.70812      12.87731 
1 1 1 3  5  35 o 33.23744 6.737930 10.78972       5.209954      5.536551       8.373900      16.04643       6.203204      27.63397 10.66630 38.84092 8.235828 -11.20695      13.47586 
1 1 1 3  5  36 o 123.7739 3.381974 154.7259       8.366816      153.8757       12.92925      155.5760       10.61969      123.3109 5.242538 124.2370 4.273967 -0.9260406     6.763948 
1 1 1 3  5  37 o 33.34320 7.680398 10.75430       6.300261      7.162447       10.25130      14.35323       7.332476      30.38944 11.78670 36.29696 9.850266 -5.907516      15.36080 
1 1 1 3  5  38 o 101.1116 3.561540 104.0007       7.254546      113.2106       11.34940      94.86169       9.032760      105.4697 5.380407 96.75359 4.667921 8.716110       7.123079 
1 1 1 3  5  39 o 208.0655 3.254166 440.0903       13.51726      414.2318       19.23446      465.9487       19.00068      201.8315 4.764982 214.2995 4.433207 -12.46797      6.508331 
1 1 1 3  5  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  41 f 96.09418 3.554799 95.07423       6.842936      98.47480       10.23713      91.67366       9.082352      97.69576 5.239290 94.49261 4.805852 3.203140       7.109598 
1 1 1 3  5  42 o 38.86050 6.729384 17.99467       5.241126      21.89116       7.962997      14.09111       6.820265      43.20313 9.474425 34.51788 9.558960 8.685249       13.45877 
1 1 1 3  5  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  5  44 o 22.24578 6.479213 4.235834       4.733875      7.559181       7.311223      0.9139028      6.017590      25.53464 9.943645 18.95692 8.309316 6.577723       12.95843 
1 1 1 3  5  45 o 28.66899 6.380790 10.50634       4.354145      7.332476       6.631108      13.68729       5.646361      24.56715 9.489783 32.77082 8.532405 -8.203678      12.76158 
1 1 1 3  5  46 o 31.87627 6.430919 14.38157       4.330766      16.68404       6.459663      12.07910       5.769631      34.45983 9.197959 29.29271 8.990241 5.167126       12.86184 
1 1 1 3  6  0  o 635.7831 6.564785 4044.551       83.45561      4044.551       83.45561      4044.551       83.45561      635.7831 6.564785 635.7831 6.564785 -0.000000      0.000000 
1 1 1 3  6  1  o 456.3955 3.386719 2083.557       30.90975      2089.224       43.83191      2077.889       43.60521      457.0161 4.795445 455.7749 4.783634 1.241119       6.773437 
1 1 1 3  6  2  o 468.4096 3.470939 2194.784       32.51794      2213.912       46.37525      2175.655       45.59596      470.4503 4.928816 466.3690 4.888399 4.081238       6.941878 
1 1 1 3  6  3  o 265.4568 2.107857 704.6970       11.19354      693.3618       15.60011      716.2448       16.05352      263.3022 2.962397 267.6114 2.999408 -4.309235      4.215714 
1 1 1 3  6  4  o 517.6154 3.814842 2680.073       39.49619      2689.991       56.05979      2670.863       55.64180      518.5383 5.405559 516.6923 5.384424 1.846008       7.629685 
1 1 1 3  6  5  o 283.6028 2.224316 804.8012       12.61753      806.2181       17.87424      802.6758       17.81048      283.9150 3.147815 283.2906 3.143499 0.6243591      4.448632 
1 1 1 3  6  6  o 356.6363 2.911922 1272.380       20.76472      1264.586       31.17188      1280.172       27.43125      355.5353 4.383795 357.7373 3.833994 -2.201996      5.823845 
1 1 1 3  6  7  o 412.4902 3.090118 1702.410       25.49718      1724.372       36.50652      1680.448       35.59970      415.1497 4.396790 409.8307 4.343221 5.319031       6.180236 
1 1 1 3  6  8  o 241.6768 2.104330 584.2602       10.18045      593.1158       15.47259      575.4045       13.24096      243.5042 3.177068 239.8495 2.760265 3.654678       4.208661 
1 1 1 3  6  9  o 219.9962 1.836969 484.1559       8.083434      492.7991       11.63278      475.4420       11.22896      221.9678 2.620375 218.0245 2.575160 3.943298       3.673938 
1 1 1 3  6  10 o 342.2425 2.615700 1172.488       17.91675      1210.744       26.13479      1133.523       24.51243      347.8785 3.756309 336.6065 3.641111 11.27203       5.231400 
1 1 1 3  6  11 f 164.0172 1.547542 269.0700       5.078182      276.0128       7.360813      262.1980       6.998795      166.1222 2.215481 161.9122 2.161293 4.210022       3.095084 
1 1 1 3  6  12 o 141.6277 1.451347 200.6335       4.111146      196.6662       5.751212      204.6009       5.876608      140.2273 2.050674 143.0281 2.054354 -2.800781      2.902695 
1 1 1 3  6  13 o 163.4430 2.150253 268.2907       7.212039      301.5879       12.44750      234.9226       7.282885      173.6277 3.584536 153.2582 2.376018 20.36951       4.300507 
1 1 1 3  6  14 o 332.9086 2.659197 1108.727       17.73255      1120.771       28.43725      1096.683       21.18979      334.6997 4.248174 331.1175 3.199739 3.582214       5.318394 
1 1 1 3  6  15 o 486.5427 3.741121 2369.063       36.42150      2378.981       57.99386      2358.436       44.08695      487.5582 5.947379 485.5272 4.540112 2.031036       7.482241 
1 1 1 3  6  16 o 71.48283 2.519309 51.11480       3.604603      51.22815       6.760755      50.99436       2.502960      71.55758 4.723997 71.40810 1.752574 0.1494827      5.038618 
1 1 1 3  6  17 o 311.8431 3.082864 973.4128       19.41866      1017.337       33.26889      929.4888       20.03502      318.8512 5.216995 304.8350 3.286207 14.01620       6.165727 
1 1 1 3  6  18 o 491.1679 3.957315 2413.695       38.87983      2421.488       59.16990      2406.611       50.46302      491.8997 6.014427 490.4361 5.144709 1.463593       7.914629 
1 1 1 3  6  19 o 174.5643 2.434737 304.9177       8.543928      313.6316       14.23988      296.1328       9.450747      177.0600 4.021204 172.0686 2.746216 4.991394       4.869474 
1 1 1 3  6  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  21 o 261.4255 4.106857 684.0102       21.50859      689.1819       37.67547      678.9094       20.77889      262.3462 7.180486 260.5048 3.988197 1.841400       8.213715 
1 1 1 3  6  22 o 204.2384 3.727150 417.7032       15.02626      402.4006       27.55169      432.9349       12.00826      200.4358 6.872948 208.0409 2.886032 -7.605164      7.454300 
1 1 1 3  6  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  24 o 561.5642 7.360689 3169.613       82.88886      3224.873       137.9356      3115.063       92.02789      565.8978 12.18732 557.2307 8.257611 8.667114       14.72138 
1 1 1 3  6  25 o 196.9711 3.754004 388.6566       14.80664      391.7030       24.71080      385.5395       16.32981      197.6897 6.249895 196.2525 4.160408 1.437210       7.508008 
1 1 1 3  6  26 o 237.5521 3.964936 566.0530       18.92983      580.2928       31.74572      551.8130       20.61595      240.4071 6.602494 234.6971 4.392032 5.709961       7.929872 
1 1 1 3  6  27 o 258.7726 3.362907 671.3997       17.42083      689.8195       25.75222      652.9091       23.47101      262.3098 4.908743 255.2354 4.597914 7.074371       6.725814 
1 1 1 3  6  28 o 177.6642 2.964673 316.5363       10.56302      332.3347       15.96850      300.7378       13.82898      182.0824 4.384967 173.2460 3.991141 8.836395       5.929346 
1 1 1 3  6  29 o 163.9365 2.940585 269.4242       9.649114      274.3834       14.35323      264.5359       12.90091      165.4160 4.338527 162.4570 3.970560 2.958969       5.881170 
1 1 1 3  6  30 o 162.2240 2.926565 264.4650       9.535762      283.8766       14.61536      244.9826       12.25622      168.1690 4.345438 156.2790 3.921262 11.89000       5.853130 
1 1 1 3  6  31 o 103.2850 4.194396 0.000000       0.000000      ?              ?             107.1179       8.664365      ?        ?        103.2850 4.194396 ?              ?        
1 1 1 3  6  32 o 39.73519 6.386511 16.69112       5.008046      15.57885       7.934660      17.81048       6.116773      38.24664 10.18752 41.22374 7.704842 -2.977104      12.77302 
1 1 1 3  6  33 o 73.24324 3.954549 54.34534       5.848978      60.97644       9.216957      47.71423       7.197870      77.68694 5.932116 68.79955 5.231045 8.887390       7.909098 
1 1 1 3  6  34 f 55.48527 4.996592 31.32774       5.547885      31.54028       8.848563      31.10812       6.689910      55.54783 7.964814 55.42271 6.035351 0.1251259      9.993184 
1 1 1 3  6  35 o 59.45358 5.245898 36.11687       6.206746      35.04002       9.819141      37.20080       7.594603      58.38395 8.409111 60.52321 6.274125 -2.139267      10.49180 
1 1 1 3  6  36 o 64.47308 8.537184 45.88642       10.18045      27.36749       18.14345      64.40535       9.238212      49.33310 16.05838 79.61306 5.801945 -30.27996      17.07437 
1 1 1 3  6  37 o 222.5917 4.289760 505.3387       18.97942      495.0661       31.83782      515.6821       20.67262      219.3806 7.256300 225.8028 4.577583 -6.422241      8.579520 
1 1 1 3  6  38 o 235.4608 4.292413 567.4698       20.18379      568.6743       33.75773      566.1947       22.13912      234.6232 7.194029 236.2984 4.684567 -1.675186      8.584826 
1 1 1 3  6  39 o 113.1148 4.376689 131.7012       9.889987      132.7639       16.85407      130.7094       10.35048      112.8119 7.469987 113.4176 4.562995 -0.6057205     8.753379 
1 1 1 3  6  40 o 118.5359 4.318177 145.6577       10.13086      140.9819       16.96742      150.2626       11.08019      115.7244 7.330959 121.3473 4.565485 -5.622894      8.636354 
1 1 1 3  6  41 o 87.77263 5.619610 82.67632       9.847479      82.46378       15.23880      82.88886       12.47583      87.01836 8.756082 88.52690 7.046352 -1.508537      11.23922 
1 1 1 3  6  42 o 76.32681 6.462201 65.94269       9.634944      53.88484       14.02026      78.00054       13.22680      68.16045 10.28475 84.49316 7.827139 -16.33272      12.92440 
1 1 1 3  6  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  6  44 o 35.95914 7.340964 16.18104       6.839394      4.817472       10.52051      27.55169       8.742295      25.25648 11.02927 46.66182 9.690933 -21.40534      14.68193 
1 1 1 3  6  45 o 57.86982 6.201858 42.14579       7.212039      45.87934       11.39190      38.41225       8.855647      59.25488 9.612630 56.48475 7.838973 2.770134       12.40372 
1 1 1 3  6  46 o 18.61561 6.115085 -3.562804      5.938951      -12.04368      8.869816      4.918780       7.899237      15.50264 7.674899 21.72857 9.522237 -6.225933      12.23017 
1 1 1 3  7  0  o 753.8611 7.773705 5687.451       117.1779      5687.451       117.1779      5687.451       117.1779      753.8611 7.773705 753.8611 7.773705 0.000000       0.000000 
1 1 1 3  7  1  o 577.0014 4.245266 3331.140       48.98944      3324.056       69.10947      3338.225       69.45662      576.3883 5.995045 577.6145 6.012368 -1.226196      8.490532 
1 1 1 3  7  2  o 483.7427 3.593672 2341.433       34.77081      2359.145       49.54203      2323.013       48.79816      485.6085 5.101027 481.8770 5.063342 3.731476       7.187344 
1 1 1 3  7  3  o 453.5643 3.384660 2058.052       30.70430      2048.843       43.23681      2067.262       43.60521      452.5498 4.777023 454.5788 4.796221 -2.028992      6.769320 
1 1 1 3  7  4  o 526.4789 3.892588 2773.589       40.99102      2745.251       57.43419      2801.927       58.49686      523.7906 5.482553 529.1672 5.527257 -5.376587      7.785175 
1 1 1 3  7  5  o 155.6364 1.544909 242.2905       4.808971      241.5820       6.794053      242.9281       6.807514      155.4202 2.185704 155.8526 2.183959 -0.4323883     3.089818 
1 1 1 3  7  6  o 296.2177 2.334566 877.7718       13.82898      862.8942       19.26989      892.6493       19.85082      293.7077 3.280453 298.7276 3.322562 -5.019897      4.669132 
1 1 1 3  7  7  o 85.58304 1.477542 73.25391       2.529173      73.11222       3.572014      73.39561       3.581224      85.50027 2.088890 85.66581 2.090229 -0.1655350     2.955084 
1 1 1 3  7  8  o 639.1122 4.685188 4089.892       59.91377      4147.985       85.86436      4032.508       83.52647      643.6177 6.670447 634.6067 6.580963 9.010986       9.370376 
1 1 1 3  7  9  o 253.4751 2.067737 642.6366       10.47800      644.1243       14.85623      641.2197       14.79247      253.7614 2.927205 253.1888 2.921234 0.5726471      4.135473 
1 1 1 3  7  10 o 516.4089 3.825699 2669.446       39.51036      2673.697       55.98895      2665.196       55.76933      516.8195 5.416683 515.9984 5.404021 0.8211060      7.651398 
1 1 1 3  7  11 o 232.2058 1.950788 539.3444       9.061099      536.7231       12.77339      541.9656       12.85132      231.6416 2.757144 232.7701 2.760517 -1.128494      3.901577 
1 1 1 3  7  12 o 179.6544 1.770460 322.8415       6.371816      331.1304       9.649114      314.6234       8.324308      181.9486 2.651603 177.3601 2.346726 4.588577       3.540921 
1 1 1 3  7  13 o 480.5486 3.581080 2310.970       34.41659      2294.675       48.39434      2327.264       48.95402      478.8552 5.053129 482.2419 5.075670 -3.386749      7.162160 
1 1 1 3  7  14 f 333.2397 2.582992 1110.852       17.21538      1103.059       24.22197      1118.645       24.46993      332.0710 3.647107 334.4084 3.658688 -2.337463      5.165984 
1 1 1 3  7  15 o 181.7998 1.825706 330.6344       6.655196      338.0732       10.55593      323.1248       8.111773      183.8522 2.870766 179.7474 2.256437 4.104797       3.651412 
1 1 1 3  7  16 o 155.1061 1.654368 240.5902       5.146902      244.6992       8.409323      236.5520       5.933992      156.4161 2.688126 153.7961 1.929175 2.619980       3.308736 
1 1 1 3  7  17 o 549.3180 5.795716 3022.255       63.67564      3026.506       91.03606      3018.005       89.05238      549.6954 8.280591 548.9406 8.111296 0.7547607      11.59143 
1 1 1 3  7  18 o 562.3956 5.074711 3166.780       56.98786      3139.858       92.87803      3192.992       66.09147      559.9323 8.293683 564.8588 5.850264 -4.926514      10.14942 
1 1 1 3  7  19 o 455.2634 4.410151 2075.055       40.22589      2108.353       63.34976      2041.758       49.59871      458.8603 6.902946 451.6665 5.490634 7.193817       8.820303 
1 1 1 3  7  20 o 309.2199 3.155867 956.4099       19.56744      975.5381       31.03727      937.9902       23.82524      312.2346 4.970185 306.2052 3.890403 6.029327       6.311733 
1 1 1 3  7  21 o 232.2201 4.062549 539.7693       18.88733      541.4697       34.72122      538.0692       14.86332      232.5109 7.466581 231.9293 3.204277 0.5815277      8.125098 
1 1 1 3  7  22 o 444.5587 5.520712 1980.831       48.98236      1970.204       88.27309      1991.458       42.47877      443.0488 9.962006 446.0686 4.761462 -3.019775      11.04142 
1 1 1 3  7  23 o 188.6063 2.763812 356.7763       10.24421      322.7706       16.49984      390.7820       12.14995      179.5727 4.594196 197.6400 3.073758 -18.06725      5.527624 
1 1 1 3  7  24 o 346.8134 3.668589 1204.368       25.43342      1201.534       40.24006      1207.202       31.12937      346.3479 5.809196 347.2788 4.481899 -0.9308777     7.337178 
1 1 1 3  7  25 o 248.5800 3.335387 619.0452       16.57777      599.9878       23.43558      638.0317       23.44975      244.7540 4.787580 252.4060 4.645245 -7.652008      6.670774 
1 1 1 3  7  26 o 158.4026 3.008782 251.5712       9.507423      236.8354       13.72979      266.3070       13.15595      153.7453 4.465112 163.0599 4.034086 -9.314636      6.017563 
1 1 1 3  7  27 o 150.5263 4.019351 0.000000       0.000000      ?              ?             226.9879       12.10036      ?        ?        150.5263 4.019351 ?              ?        
1 1 1 3  7  28 o 287.8221 3.613958 831.0139       20.80014      809.7604       29.34407      852.9760       29.48576      284.0708 5.164923 291.5734 5.056319 -7.502625      7.227917 
1 1 1 3  7  29 o 271.5488 3.516825 740.3321       19.09278      729.7053       27.31790      750.9589       26.68738      269.5796 5.066760 273.5180 4.878542 -3.938354      7.033650 
1 1 1 3  7  30 o 141.0833 3.814430 200.5627       10.57718      184.9768       17.54835      216.1487       11.81698      135.4004 6.480167 146.7662 4.025783 -11.36575      7.628859 
1 1 1 3  7  31 o 89.73182 4.687170 81.54280       8.168448      73.18307       13.99901      89.90253       8.430575      84.86822 8.247497 94.59542 4.456123 -9.727203      9.374339 
1 1 1 3  7  32 o 81.64803 5.377036 67.79884       8.763549      66.67240       13.47475      68.91819       11.20771      80.83492 8.334735 82.46113 6.795752 -1.626213      10.75407 
1 1 1 3  7  33 o 213.0974 4.671614 460.7770       19.88624      427.1255       27.74297      494.3577       28.50810      205.2483 6.758392 220.9464 6.451360 -15.69812      9.343228 
1 1 1 3  7  34 o 168.3336 4.466757 287.4897       15.09002      304.8468       22.99634      270.0618       19.54619      173.3157 6.634235 163.3515 5.982859 9.964172       8.933515 
1 1 1 3  7  35 o 152.5377 4.803077 237.0480       14.58702      223.6582       21.77072      250.4377       19.41158      147.9929 7.355329 157.0826 6.178782 -9.089691      9.606154 
1 1 1 3  7  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  7  37 o 126.4710 4.460546 163.5107       11.22188      171.9413       14.52326      155.0801       17.10203      130.0240 5.584838 122.9179 6.956684 7.106071       8.921091 
1 1 1 3  7  38 o 96.25237 4.897347 95.57014       9.415324      96.34944       11.90199      94.86169       14.58702      96.94688 6.138409 95.55785 7.632561 1.389023       9.794695 
1 1 1 3  7  39 o 58.99760 6.669573 37.83841       7.608772      41.17522       10.23004      34.50869       11.27147      62.45374 8.190097 55.54145 10.52878 6.912296       13.33915 
1 1 1 3  7  40 o 32.13116 7.521084 10.40007       6.066473      4.942868       9.110690      15.86224       8.012589      26.95220 10.89604 37.31011 10.37030 -10.35790      15.04217 
1 1 1 3  7  41 o 57.00283 5.544519 34.94084       6.330725      35.85475       9.804973      34.01986       8.005506      57.37900 8.544044 56.62666 7.068671 0.7523346      11.08904 
1 1 1 3  7  42 o 23.83438 6.748412 -1.460828      6.060097      -13.41099      9.195704      10.48509       7.899237      17.22569 8.380129 30.44308 10.58006 -13.21739      13.49682 
1 1 1 3  7  43 o 20.34225 6.534473 -0.1451618     5.809304      2.067262       8.898154      -2.357728      7.474166      22.20948 9.886205 18.47501 8.547533 3.734463       13.06895 
1 1 1 3  7  44 o 68.94873 4.327796 52.12080       5.892194      47.20414       8.876901      57.03745       7.750463      64.95082 6.833555 72.94665 5.312418 -7.995827      8.655592 
1 1 1 3  7  45 o 58.11144 4.841146 39.37575       5.576224      36.00352       8.175533      42.74798       7.587519      54.85733 7.451633 61.36556 6.182229 -6.508236      9.682293 
1 1 1 3  7  46 o 22.47391 6.426912 6.390944       4.691368      2.424322       6.585768      10.35756       6.682826      19.08277 8.499470 25.86506 9.642604 -6.782288      12.85382 
1 1 1 3  8  0  o 225.6347 2.741969 509.3768       12.36957      509.3768       12.36957      509.3768       12.36957      225.6347 2.741969 225.6347 2.741969 0.000000       0.000000 
1 1 1 3  8  1  o 512.0917 3.807279 2624.814       39.00735      2558.928       53.82108      2689.991       56.47778      505.7011 5.321433 518.4823 5.446452 -12.78122      7.614557 
1 1 1 3  8  2  o 211.7494 1.861864 448.4500       7.885069      448.7333       11.15812      448.1666       11.14395      211.8163 2.633914 211.6825 2.632232 0.1337891      3.723727 
1 1 1 3  8  3  o 446.3049 3.624703 1993.583       32.33374      2012.003       42.73381      1974.455       48.53603      448.4267 4.764861 444.1832 5.463515 4.243530       7.249406 
1 1 1 3  8  4  o 329.0086 2.567858 1083.223       16.89658      1074.013       23.71897      1091.724       24.07319      327.6637 3.619408 330.3535 3.643550 -2.689850      5.135715 
1 1 1 3  8  5  o 221.8294 1.922837 492.2323       8.536844      482.7390       11.86657      501.7256       12.26330      219.6904 2.700748 223.9684 2.737730 -4.277985      3.845674 
1 1 1 3  8  6  o 162.1799 1.637602 263.1898       5.316222      276.2253       7.757547      250.2252       7.268716      166.1870 2.333982 158.1728 2.297714 8.014191       3.275203 
1 1 1 3  8  7  o 112.8851 1.541446 127.4505       3.479915      126.5295       4.862104      128.3715       4.981124      112.4773 2.161371 113.2928 2.198341 -0.8154755     3.082893 
1 1 1 3  8  8  o 302.4857 2.408815 915.3197       14.57285      918.8620       20.69388      911.7775       20.52385      303.0707 3.414034 301.9006 3.399107 1.170105       4.817630 
1 1 1 3  8  9  o 312.7579 2.665511 978.3719       16.69112      996.0833       25.51843      961.3691       21.53693      315.5200 4.043870 309.9958 3.473747 5.524170       5.331022 
1 1 1 3  8  10 o 193.2704 1.908782 373.7083       7.367898      384.4768       9.939578      362.9398       10.87473      196.0584 2.534851 190.4823 2.854527 5.576172       3.817564 
1 1 1 3  8  11 o 512.6571 4.111632 2631.190       42.15997      2625.522       55.25924      2636.858       63.69690      512.1458 5.394874 513.1683 6.206239 -1.022522      8.223264 
1 1 1 3  8  12 o 143.7121 1.803450 206.5845       5.174532      203.2548       8.026759      209.9143       6.532634      142.5508 2.815403 144.8733 2.254602 -2.322510      3.606899 
1 1 1 3  8  13 o 506.7323 4.066463 2569.555       41.22481      2558.928       53.96986      2580.890       62.32959      505.6787 5.336378 507.7859 6.137389 -2.107178      8.132925 
1 1 1 3  8  14 o 395.1039 4.257344 1562.845       33.65854      1598.976       48.88317      1526.005       46.27607      399.7127 6.114789 390.4951 5.925308 9.217651       8.514688 
1 1 1 3  8  15 o 264.1506 2.466357 697.9667       13.02843      699.2419       18.51893      696.6207       18.33473      264.3983 3.502089 263.9028 3.473766 0.4955444      4.932715 
1 1 1 3  8  16 o 446.6065 3.858843 1995.709       34.46618      2012.003       49.19489      1980.123       48.29516      448.3881 5.485749 444.8249 5.428558 3.563171       7.717686 
1 1 1 3  8  17 o 162.0749 2.359295 262.9773       7.658363      277.3589       11.23604      248.5249       10.40007      166.5211 3.373761 157.6287 3.298914 8.892349       4.718590 
1 1 1 3  8  18 o 604.4226 5.277913 3658.445       63.65439      3623.022       107.1888      3693.868       68.71983      601.3168 8.912836 607.5284 5.655689 -6.211609      10.55583 
1 1 1 3  8  19 o 55.45820 7.102584 31.45526       7.615856      29.40783       14.14070      33.49560       5.676824      53.06047 13.33109 57.85593 4.906000 -4.795460      14.20517 
1 1 1 3  8  20 o 483.7408 3.787489 2341.433       36.63404      2335.766       58.21348      2347.809       44.47660      483.0713 6.025351 484.4102 4.590799 -1.338928      7.574978 
1 1 1 3  8  21 o 139.7150 1.804058 195.2493       5.048427      197.1621       8.210957      193.3365       5.877316      140.3947 2.924239 139.0353 2.113605 1.359451       3.608116 
1 1 1 3  8  22 o 261.1447 2.997214 682.6641       15.78431      706.0430       27.34624      659.2852       15.76305      265.5727 5.148541 256.7167 3.070126 8.856018       5.994427 
1 1 1 3  8  23 o 477.5978 4.519325 2285.465       43.27224      2315.220       72.04955      2255.711       47.93385      480.5356 7.496795 474.6601 5.049282 5.875580       9.038650 
1 1 1 3  8  24 o 236.5328 2.960105 560.0311       14.01318      561.5189       22.84757      558.4725       16.21646      236.8186 4.823854 236.2469 3.432101 0.5717468      5.920209 
1 1 1 3  8  25 o 224.7267 3.068634 506.1179       13.85732      529.1426       21.89116      483.0224       17.00284      229.8133 4.762815 219.6402 3.870612 10.17302       6.137267 
1 1 1 3  8  26 o 226.2502 4.016698 513.9109       17.99467      485.3603       29.18822      542.5323       21.04810      219.8184 6.639167 232.6821 4.522931 -12.86375      8.033396 
1 1 1 3  8  27 o 137.9814 4.562138 191.3528       12.58210      186.4645       18.17887      196.2411       17.39249      136.1952 6.673833 139.7677 6.221926 -3.572586      9.124276 
1 1 1 3  8  28 o 78.65297 5.972665 62.47128       9.401155      63.04512       14.23280      61.89035       12.28455      78.96391 9.012217 78.34203 7.840335 0.6218872      11.94533 
1 1 1 3  8  29 o 50.82061 7.965165 27.36041       7.913406      25.68138       11.99409      29.04653       10.32923      49.07591 12.24601 52.56532 10.18876 -3.489410      15.93033 
1 1 1 3  8  30 o 182.9254 4.435833 338.9942       16.20938      295.3535       21.97617      382.6348       23.83940      171.0628 6.423424 194.7880 6.119320 -23.72522      8.871667 
1 1 1 3  8  31 o 108.7734 4.206026 119.6575       9.238212      107.5430       11.16520      131.7720       14.72871      103.3345 5.402456 114.2123 6.447952 -10.87785      8.412052 
1 1 1 3  8  32 o 151.0334 3.910899 230.3885       11.89491      217.6364       14.09819      243.1406       19.16362      147.0203 4.794640 155.0464 6.179965 -8.026047      7.821799 
1 1 1 3  8  33 o 271.1221 3.660963 741.7490       19.85790      743.8744       28.83399      739.6237       27.29665      271.4466 5.311171 270.7975 5.040047 0.6490784      7.321927 
1 1 1 3  8  34 o 79.03748 4.467123 63.34976       7.056888      62.93886       10.78264      63.76774       9.103605      78.68166 6.852065 79.39330 5.733233 -0.7116394     8.934246 
1 1 1 3  8  35 o 39.57273 8.049254 16.74072       6.819557      15.69929       10.71888      17.78214       8.430575      38.60043 12.32390 40.54503 10.35777 -1.944599      16.09851 
1 1 1 3  8  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  37 o 152.3626 3.514075 235.3477       10.70471      235.2768       16.11728      235.4894       14.09819      152.1863 5.295245 152.5389 4.621177 -0.3526154     7.028151 
1 1 1 3  8  38 o 45.45233 7.148740 22.72005       6.743752      12.00826       10.31506      33.43893       8.685618      34.22575 12.07103 56.67891 7.662127 -22.45315      14.29748 
1 1 1 3  8  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  8  40 o 152.6512 3.423910 238.8191       10.42841      226.1378       15.04752      251.5004       14.44533      148.4224 5.069154 156.8799 4.603945 -8.457550      6.847819 
1 1 1 3  8  41 o 70.97178 4.915764 53.78566       6.993836      57.20748       10.44258      50.36383       9.301972      73.10908 7.141780 68.83448 6.756768 4.274597       9.831528 
1 1 1 3  8  42 f 29.49743 7.854976 9.351563       6.480209      7.212039       9.875818      11.49817       8.388069      27.91736 11.32040 31.07750 10.89271 -3.160143      15.70995 
1 1 1 3  8  43 o 25.08061 7.154731 5.687451       5.647069      4.296760       8.678535      7.077433       7.226208      24.40459 10.31731 25.75663 9.915329 -1.352045      14.30946 
1 1 1 3  8  44 o 21.07785 6.222852 1.154068       4.889734      9.500339       7.481250      -7.190785      6.299554      27.38448 10.20370 14.77122 7.126007 12.61326       12.44570 
1 1 1 3  8  45 o 26.86617 7.009364 10.30089       4.983958      11.34940       7.268716      9.245295       6.818140      27.88846 10.10292 25.84387 9.718838 2.044586       14.01873 
1 1 1 3  9  0  o 343.2480 3.803904 1178.864       26.10645      1178.864       26.10645      1178.864       26.10645      343.2480 3.803904 343.2480 3.803904 0.000000       0.000000 
1 1 1 3  9  1  o 869.4702 6.340596 7580.434       110.2351      7552.097       155.4343      7601.688       156.4261      868.0505 8.953069 870.8898 8.980824 -2.839294      12.68119 
1 1 1 3  9  2  o 119.1789 1.621102 142.1154       3.864604      145.6577       5.540801      138.5023       5.388484      120.6797 2.295665 117.6782 2.289500 3.001450       3.242204 
1 1 1 3  9  3  o 291.5176 2.360199 850.1422       13.76522      862.1858       19.71621      838.0985       19.20613      293.5820 3.357872 289.4531 3.317658 4.128876       4.720397 
1 1 1 3  9  4  o 344.4049 2.696355 1186.657       18.57561      1188.782       26.29773      1184.531       26.23397      344.7133 3.814436 344.0965 3.812007 0.6167603      5.392710 
1 1 1 3  9  5  o 436.8268 3.312054 1909.986       28.95442      1974.455       42.23081      1845.517       39.62371      444.1968 4.753614 429.4568 4.613236 14.74002       6.624107 
1 1 1 3  9  6  o 343.3019 2.905653 1178.864       19.96417      1191.616       30.39258      1166.820       25.90100      345.0932 4.403533 341.5106 3.792122 3.582550       5.811307 
1 1 1 3  9  7  f 42.27156 2.701435 18.05135       2.260670      14.52326       3.122856      21.57944       3.270214      38.09889 4.098354 46.44423 3.520581 -8.345337      5.402870 
1 1 1 3  9  8  o 356.8357 2.779851 1273.796       19.84373      1302.134       28.62854      1246.167       27.48793      360.7529 3.967887 352.9184 3.894374 7.834473       5.559701 
1 1 1 3  9  9  o 281.7195 2.808240 794.1744       15.86932      779.2970       18.10094      809.0520       26.07811      279.1068 3.242655 284.3323 4.585851 -5.225464      5.616480 
1 1 1 3  9  10 f 446.6134 3.883955 1997.126       34.69997      2024.755       49.77583      1968.787       48.35183      449.7396 5.533849 443.4871 5.451324 6.252502       7.767910 
1 1 1 3  9  11 o 670.1019 5.683423 4499.377       76.15857      4517.089       108.1806      4480.958       107.2596      671.4444 8.055811 668.7595 8.019296 2.684875       11.36685 
1 1 1 3  9  12 f 474.1923 4.100733 2251.460       38.92942      2343.559       57.25708      2159.361       52.76549      483.8868 5.916371 464.4978 5.679843 19.38898       8.201467 
1 1 1 3  9  13 o 179.2181 2.138744 321.2829       7.679617      330.2802       11.73905      312.3564       9.911241      181.7153 3.230065 176.7208 2.804209 4.994507       4.277488 
1 1 1 3  9  14 o 434.4229 4.065095 1888.732       35.45801      1930.531       58.71648      1846.934       39.76540      439.1794 6.684795 429.6665 4.627472 9.512878       8.130190 
1 1 1 3  9  15 o 74.19102 1.910248 55.16005       2.821764      59.94211       3.907820      50.37092       4.070764      77.41646 2.523895 70.96558 2.868125 6.450874       3.820496 
1 1 1 3  9  16 o 155.8890 1.905745 243.1406       5.965164      252.3505       9.365732      233.9308       7.389152      158.8400 2.948165 152.9380 2.415735 5.902039       3.811490 
1 1 1 3  9  17 o 138.3973 1.764169 191.9904       4.862104      210.0560       6.802555      173.9249       6.948495      144.9242 2.346935 131.8705 2.634591 13.05377       3.528339 
1 1 1 3  9  18 o 171.9627 1.677117 295.8494       5.786633      306.1929       8.919409      285.5061       7.367898      174.9676 2.548875 168.9579 2.180395 6.009674       3.354234 
1 1 1 3  9  19 o 279.1661 2.769646 779.2970       15.46550      780.7139       26.24814      778.5886       16.37232      279.3316 4.698382 279.0005 2.934103 0.3311462      5.539292 
1 1 1 3  9  20 o 289.6671 2.689734 839.5154       15.62136      857.9351       24.59036      821.0956       19.26989      292.8324 4.198710 286.5019 3.362960 6.330475       5.379467 
1 1 1 3  9  21 o 290.5811 2.543754 845.1830       14.82081      857.9351       24.09444      831.7224       17.25788      292.8138 4.114295 288.3483 2.992542 4.465485       5.087507 
1 1 1 3  9  22 o 207.9225 2.369494 432.5807       9.840395      427.8340       15.76305      437.2564       11.77447      206.7749 3.811645 209.0701 2.815915 -2.295135      4.738989 
1 1 1 3  9  23 o 45.41910 2.316696 20.65137       2.090641      21.64320       2.579473      19.65954       3.290758      46.51371 2.772809 44.32448 3.712123 2.189228       4.633392 
1 1 1 3  9  24 o 277.7322 4.358929 773.6293       24.32115      789.2153       41.57903      757.3350       25.23505      280.4482 7.412962 275.0162 4.587921 5.431946       8.717857 
1 1 1 3  9  25 o 58.38927 6.189851 34.97626       7.105771      37.08037       13.68020      32.87216       3.824931      59.47453 11.92136 57.30402 3.337402 2.170506       12.37970 
1 1 1 3  9  26 o 35.06708 5.940534 10.54176       5.133441      1.952493       9.436578      19.12820       4.040300      26.44824 10.94422 43.68591 4.624260 -17.23767      11.88107 
1 1 1 3  9  27 o 89.09603 4.760170 79.91336       8.515590      76.08772       10.74721      83.66816       13.21263      87.02086 6.175079 91.17120 7.246052 -4.150345      9.520340 
1 1 1 3  9  28 o 210.9109 3.284013 446.8206       13.82898      415.6487       19.42575      477.9216       19.70204      203.5342 4.772109 218.2876 4.512863 -14.75342      6.568025 
1 1 1 3  9  29 o 60.54813 5.557800 38.93651       6.055846      24.54785       8.940661      53.31808       8.168448      48.30330 9.595631 72.79295 5.610742 -24.48966      11.11560 
1 1 1 3  9  30 o 325.4001 4.037952 1066.928       26.28356      1069.762       37.66838      1064.095       36.65530      325.8018 5.780874 324.9985 5.639302 0.8032227      8.075904 
1 1 1 3  9  31 o 110.1372 3.546326 122.1371       7.800055      119.3033       11.66820      124.9709       10.35048      108.8064 5.361908 111.4679 4.642807 -2.661499      7.092652 
1 1 1 3  9  32 o 196.9514 3.318085 390.4986       13.07802      399.0709       19.43283      381.8555       17.52001      199.0705 4.880891 194.8322 4.496181 4.238358       6.636169 
1 1 1 3  9  33 o 105.9376 3.770395 113.4940       8.026759      121.8537       12.30581      105.2051       10.30089      109.7705 5.605242 102.1046 5.044281 7.665909       7.540790 
1 1 1 3  9  34 o 166.6201 3.346872 280.0510       11.16520      286.3562       16.76905      273.8166       14.74997      168.4085 4.978684 164.8318 4.474248 3.576706       6.693743 
1 1 1 3  9  35 o 197.2124 3.578680 393.6158       14.16904      418.4825       21.59361      368.8200       18.34182      203.3295 5.310004 191.0952 4.799129 12.23427       7.157359 
1 1 1 3  9  36 o 74.53891 5.588531 57.63256       8.402238      63.02387       13.26930      52.24832       10.30089      77.82574 8.525009 71.25209 7.228482 6.573647       11.17706 
1 1 1 3  9  37 o 131.8797 3.673045 176.7587       9.677451      174.0666       14.53743      179.4508       12.77339      130.7213 5.560466 133.0380 4.800652 -2.316711      7.346090 
1 1 1 3  9  38 o 313.9961 4.114206 1010.961       25.85849      1043.549       38.01552      977.6635       35.06836      318.9287 5.959878 309.0636 5.673326 9.865112       8.228413 
1 1 1 3  9  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  40 o 29.30564 7.567241 8.352647       6.128108      15.11836       9.599521      1.579139       7.622942      35.97571 11.68049 22.63557 9.623864 13.34014       15.13448 
1 1 1 3  9  41 o 68.28590 5.177619 50.55512       7.098687      54.02653       10.78972      47.09079       9.216957      70.38062 7.665265 66.19118 6.962375 4.189438       10.35524 
1 1 1 3  9  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  9  44 o 84.74377 4.025830 78.99238       6.828767      81.54280       10.07418      76.37110       9.224042      85.89961 5.863929 83.58794 5.517568 2.311676       8.051660 
1 1 1 3  9  45 o 21.83688 6.229480 3.917030       4.728208      11.42733       7.042011      -3.590434      6.310180      27.81396 9.957097 15.85980 7.488787 11.95416       12.45896 
1 1 1 3  10 0  o 331.7053 3.737624 1100.934       24.78873      1100.934       24.78873      1100.934       24.78873      331.7053 3.737624 331.7053 3.737624 -0.000000      0.000000 
1 1 1 3  10 1  o 139.4722 2.003298 194.5409       5.588267      196.3828       8.005506      192.7697       7.800055      140.1194 2.856672 138.8250 2.809312 1.294418       4.006596 
1 1 1 3  10 2  o 344.3493 2.720428 1185.948       18.73855      1182.406       26.42525      1190.199       26.56694      343.7840 3.843293 344.9147 3.851234 -1.130737      5.440855 
1 1 1 3  10 3  o 214.5477 2.104832 460.4937       9.018591      449.9377       13.35432      471.0496       12.12869      212.0848 3.148343 217.0105 2.794494 -4.925720      4.209663 
1 1 1 3  10 4  o 376.6361 2.930407 1419.737       22.07536      1438.157       31.59695      1400.609       30.83891      379.1259 4.167078 374.1463 4.121236 4.979645       5.860813 
1 1 1 3  10 5  o 61.12725 2.222681 37.39917       2.717621      35.59970       3.771798      39.19864       3.912779      59.65571 3.161305 62.59879 3.125283 -2.943077      4.445362 
1 1 1 3  10 6  o 172.6144 2.040079 298.0457       7.044845      304.9177       10.15920      291.2445       9.762465      174.5937 2.909383 170.6351 2.860627 3.958633       4.080159 
1 1 1 3  10 7  o 135.3057 2.168900 183.2056       5.885818      188.0939       9.301972      178.2465       7.219123      137.1196 3.391921 133.4918 2.703958 3.627777       4.337801 
1 1 1 3  10 8  o 348.6986 3.155563 1217.120       22.00451      1212.161       31.07978      1221.371       31.16479      348.0386 4.464990 349.3586 4.460288 -1.319916      6.311126 
1 1 1 3  10 9  o 580.7952 4.976624 3378.606       57.80967      3325.473       80.55096      3432.449       82.95970      576.2045 6.989790 585.3859 7.085898 -9.181458      9.953247 
1 1 1 3  10 10 o 134.9313 1.832512 182.1430       4.948535      184.4100       7.396237      179.8051       6.576558      135.7829 2.723552 134.0796 2.452482 1.703293       3.665024 
1 1 1 3  10 11 o 276.6341 2.316559 765.1279       12.81589      770.7955       18.21429      760.1688       18.03718      277.5941 3.280743 275.6741 3.271468 1.919983       4.633118 
1 1 1 3  10 12 o 402.9182 3.108888 1624.480       25.05086      1626.605       35.47218      1621.646       35.38717      403.2257 4.398551 402.6107 4.394712 0.6150208      6.217777 
1 1 1 3  10 13 o 65.32932 2.220651 42.71964       2.892608      45.18505       3.948202      40.26131       4.227332      67.21397 2.937040 63.44468 3.331510 3.769283       4.441302 
1 1 1 3  10 14 o 805.4572 5.897605 6497.920       95.00338      6502.170       134.4642      6493.669       134.2516      805.7200 8.344347 805.1943 8.336597 0.5257568      11.79521 
1 1 1 3  10 15 o 74.62502 2.101378 55.74807       3.127106      58.87943       4.279757      52.60963       4.560304      76.72594 2.788990 72.52409 3.143993 4.201851       4.202755 
1 1 1 3  10 16 o 149.8759 2.161934 224.7209       6.480209      228.1923       9.160281      221.1786       9.167366      151.0458 3.032286 148.7059 3.082381 2.339874       4.323868 
1 1 1 3  10 17 o 313.6993 3.229869 984.7480       20.34674      963.4944       22.23830      1006.002       34.08361      310.3479 3.582802 317.0507 5.375105 -6.702789      6.459739 
1 1 1 3  10 18 o 408.2386 5.537747 1670.529       44.86625      1744.208       52.51044      1596.142       72.75800      417.4119 6.290003 399.0653 9.116053 18.34665       11.07549 
1 1 1 3  10 19 o 103.4933 2.476169 107.4013       5.064013      118.6657       6.615522      96.20776       7.672533      108.9207 3.036854 98.06595 3.911925 10.85471       4.952337 
1 1 1 3  10 20 o 501.6501 4.890893 2520.672       49.00361      2491.625       76.15857      2549.718       61.69907      498.6712 7.636150 504.6291 6.113309 -5.957886      9.781786 
1 1 1 3  10 21 o 260.1627 2.768639 677.3507       14.45242      688.3318       24.10153      666.2989       15.94725      262.2480 4.595180 258.0775 3.089624 4.170502       5.537279 
1 1 1 3  10 22 o 194.8508 2.548856 380.1552       9.967916      399.8502       15.30964      360.4603       12.77339      199.8939 3.829442 189.8076 3.364824 10.08632       5.097712 
1 1 1 3  10 23 o 251.9744 2.943748 0.000000       0.000000      ?              ?             635.1979       14.83498      ?        ?        251.9744 2.943748 ?              ?        
1 1 1 3  10 24 o 208.4977 2.048463 434.9894       8.558097      440.5154       14.08402      429.5343       9.734127      209.7893 3.356706 207.2060 2.348901 2.583313       4.096927 
1 1 1 3  10 25 o 368.7325 3.722946 1363.061       27.41709      1355.268       45.70223      1371.563       30.30048      367.4291 6.219189 370.0358 4.094264 -2.606720      7.445892 
1 1 1 3  10 26 o 210.2855 2.807586 444.4826       11.47692      392.2698       19.19196      496.7664       12.59627      197.7907 4.851584 222.7803 2.827062 -24.98959      5.615171 
1 1 1 3  10 27 o 332.0023 3.674849 1105.893       24.43450      1117.229       39.21989      1095.266       29.14571      333.4836 5.880332 330.5211 4.409054 2.962585       7.349699 
1 1 1 3  10 28 o 94.42624 3.859778 89.61916       7.297054      91.95705       11.05893      87.28126       9.535762      95.62980 5.782158 93.22269 5.114507 2.407112       7.719555 
1 1 1 3  10 29 o 183.4586 4.425444 0.000000       0.000000      ?              ?             338.0023       16.23771      ?        ?        183.4586 4.425444 ?              ?        
1 1 1 3  10 30 o 30.98659 7.509321 8.430575       5.860313      4.787009       8.940661      12.07910       7.580434      27.83181 10.95798 34.14138 10.27045 -6.309574      15.01864 
1 1 1 3  10 31 o 111.8807 3.597516 126.1753       8.026759      120.9327       11.96575      131.4178       10.69762      109.4906 5.464280 114.2707 4.680824 -4.780083      7.195031 
1 1 1 3  10 32 o 91.45059 4.096665 84.51830       7.488335      84.02238       11.37065      84.94337       9.748297      91.12786 6.238844 91.77333 5.311073 -0.6454697     8.193331 
1 1 1 3  10 33 o 166.3467 3.427987 278.9174       11.39899      276.5087       16.91783      281.3262       15.28131      165.5557 5.109407 167.1377 4.571470 -1.582047      6.855974 
1 1 1 3  10 34 o 108.1995 4.017055 118.6657       8.735210      125.6794       13.57394      111.6520       10.99517      111.2968 6.098082 105.1021 5.230707 6.194611       8.034109 
1 1 1 3  10 35 o 57.43829 16.76454 38.94360       20.44592      38.94360       20.44592      ?              ?             57.43829 16.76454 ?        ?        ?              ?        
1 1 1 3  10 36 o 86.86848 4.959543 77.57547       8.508506      71.34109       13.26930      83.80984       10.66220      83.03627 7.990064 90.70071 5.877683 -7.664436      9.919086 
1 1 1 3  10 37 o 28.14677 7.874990 4.966247       6.789093      2.387482       10.76138      7.545012       8.281801      27.29245 11.51109 29.00108 10.74973 -1.708635      15.74998 
1 1 1 3  10 38 o 64.59427 5.775672 44.10112       7.509589      49.81124       11.64695      38.39100       9.493254      68.66915 8.480480 60.51939 7.843151 8.149757       11.55134 
1 1 1 3  10 39 o 59.66752 6.597747 39.30490       7.452912      31.93701       11.06602      46.67280       9.996255      52.82757 10.84637 66.50747 7.515136 -13.67990      13.19549 
1 1 1 3  10 40 o 54.66119 6.414568 33.27598       6.887568      38.63896       10.45675      27.92008       8.969000      59.55375 8.779253 49.76864 9.354755 9.785103       12.82914 
1 1 1 3  10 41 o 63.97193 5.610294 45.06462       7.219123      50.89518       11.12269      39.23406       9.209873      67.94854 8.184644 59.99532 7.675492 7.953217       11.22059 
1 1 1 3  10 42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  10 43 o 57.08277 5.478569 38.19972       6.211705      46.77907       9.323226      29.62037       8.210957      64.02950 7.280414 50.13604 8.188677 13.89347       10.95714 
1 1 1 3  10 44 o 23.72313 6.729159 5.245378       5.257421      0.1517504      7.722124      10.33631       7.134109      19.82237 8.997292 27.62389 10.00875 -7.801521      13.45832 
1 1 1 3  10 45 o 67.46352 4.460951 53.23307       6.021132      53.79982       8.636027      52.65922       8.388069      67.71966 6.376308 67.20739 6.240437 0.5122681      8.921903 
1 1 1 3  11 0  o 170.7359 2.586405 291.7404       8.827310      291.7404       8.827310      291.7404       8.827310      170.7359 2.586405 170.7359 2.586405 -0.000000      0.000000 
1 1 1 3  11 1  o 245.5054 2.166814 603.0341       10.64095      586.1730       14.70037      619.8953       15.39466      242.0732 3.036349 248.9376 3.092072 -6.864410      4.333627 
1 1 1 3  11 2  o 353.3711 3.235946 1249.709       22.87591      1274.505       32.97843      1224.913       31.71030      356.8747 4.620450 349.8674 4.531759 7.007263       6.471893 
1 1 1 3  11 3  o 306.5773 2.897457 940.8240       17.76797      952.1592       25.44759      928.7803       24.80290      308.4815 4.124654 304.6731 4.070411 3.808350       5.794913 
1 1 1 3  11 4  o 212.4280 2.301630 451.4255       9.776634      449.1584       13.81481      453.6925       13.84315      211.8945 3.259833 212.9615 3.250153 -1.067062      4.603260 
1 1 1 3  11 5  o 40.46594 3.753862 16.42900       3.025798      18.07969       4.267714      14.78539       4.290384      42.50128 5.020689 38.43060 5.581989 4.070675       7.507724 
1 1 1 3  11 6  o 508.2775 4.134746 2586.557       41.97577      2528.464       62.19498      2645.359       56.39277      502.4981 6.188579 514.0570 5.485069 -11.55893      8.269491 
1 1 1 3  11 7  o 411.7924 3.185566 1696.742       26.24105      1733.582       37.83841      1660.611       36.37191      416.2169 4.545516 407.3680 4.464258 8.848877       6.371132 
1 1 1 3  11 8  o 336.7740 2.705851 1134.940       18.23555      1100.934       25.10753      1168.946       26.44650      331.7292 3.784341 341.8187 3.868499 -10.08948      5.411702 
1 1 1 3  11 9  o 207.1513 1.995072 429.2509       8.267632      437.4690       11.80989      421.0329       11.56902      209.1344 2.823517 205.1682 2.819398 3.966217       3.990144 
1 1 1 3  11 10 o 345.3383 2.760873 1193.033       19.06444      1190.907       26.89991      1195.158       27.03452      345.0309 3.898190 345.6456 3.910728 -0.6147766     5.521746 
1 1 1 3  11 11 f 464.4353 3.545074 2158.653       32.92884      2190.533       47.18289      2126.064       45.95727      467.9023 5.041960 460.9683 4.984862 6.933929       7.090149 
1 1 1 3  11 12 o 681.1300 5.037725 4644.610       68.64189      4551.803       95.21592      4737.417       98.89986      674.3306 7.060033 687.9294 7.188228 -13.59882      10.07545 
1 1 1 3  11 13 o 467.8048 4.151672 2189.824       38.84441      2169.279       54.55787      2211.078       55.30883      465.5736 5.859211 470.0361 5.883467 -4.462494      8.303345 
1 1 1 3  11 14 f 300.3459 3.044956 902.5676       18.23555      884.1478       29.28740      920.9873       21.72822      297.2603 4.926220 303.4314 3.580417 -6.171051      6.089912 
1 1 1 3  11 15 o 185.6633 2.181254 344.8035       8.097604      350.8961       11.39899      338.7108       11.50526      187.3042 3.042908 184.0223 3.126050 3.281906       4.362508 
1 1 1 3  11 16 o 389.0659 3.949409 1514.670       30.78223      1493.416       38.05803      1536.632       48.38726      386.3261 4.925635 391.8056 6.174906 -5.479492      7.898819 
1 1 1 3  11 17 o 392.3674 3.947955 1543.008       30.85307      1647.859       42.03244      1437.449       45.17089      405.7861 5.179139 378.9488 5.960026 26.83731       7.895909 
1 1 1 3  11 18 o 188.2914 2.709443 355.2177       10.27963      383.0599       16.24480      327.3755       12.60336      195.6757 4.150949 180.9070 3.483381 14.76875       5.418886 
1 1 1 3  11 19 o 116.1902 2.865944 135.2434       6.600646      144.9492       8.359732      125.5377       10.21588      120.3726 3.472440 112.0078 4.560341 8.364761       5.731889 
1 1 1 3  11 20 o 254.3411 2.769924 647.2416       14.09111      649.7211       21.22522      644.8328       18.54727      254.8116 4.164885 253.8707 3.652897 0.9409027      5.539848 
1 1 1 3  11 21 o 404.5916 3.164237 1638.649       25.61053      1676.197       36.97410      1601.101       35.45092      409.2241 4.517585 399.9591 4.431819 9.264984       6.328475 
1 1 1 3  11 22 o 188.9686 2.098291 357.3431       7.962997      369.2451       12.78755      345.4411       9.500339      192.1061 3.328253 185.8311 2.556175 6.274979       4.196582 
1 1 1 3  11 23 o 291.9848 2.655603 852.9760       15.50801      855.8098       24.23614      850.8506       19.36907      292.3801 4.144629 291.5895 3.321291 0.7905273      5.311207 
1 1 1 3  11 24 o 195.1597 2.010170 381.1471       7.828392      376.0462       12.65295      386.3188       9.224042      193.8209 3.264082 196.4985 2.347103 -2.677536      4.020339 
1 1 1 3  11 25 o 172.0814 1.884381 296.3454       6.490835      297.4789       10.65512      295.2119       7.410406      172.3880 3.090446 171.7747 2.157013 0.6132965      3.768761 
1 1 1 3  11 26 o 94.81689 1.684847 90.04422       3.196534      93.94070       4.637525      86.07689       4.400194      96.88855 2.393227 92.74522 2.372194 4.143326       3.369694 
1 1 1 3  11 27 o 209.5491 2.813466 440.2319       11.88782      454.3301       20.99143      426.1338       11.17229      212.7771 4.932727 206.3210 2.707500 6.456100       5.626931 
1 1 1 3  11 28 o 145.4871 2.702967 212.4647       8.005506      224.1541       14.72871      200.7044       6.279717      149.3706 4.930258 141.6035 2.217358 7.767059       5.405934 
1 1 1 3  11 29 o 30.94743 7.680998 8.118857       6.125274      4.823140       9.500339      11.41316       7.736294      28.46908 11.26821 33.42579 10.44119 -4.956717      15.36200 
1 1 1 3  11 30 o 208.8208 3.429337 438.8859       14.34615      457.7307       21.34565      420.0410       19.17071      213.2657 5.004474 204.3759 4.690059 8.889740       6.858675 
1 1 1 3  11 31 o 125.2158 3.512355 157.9848       8.777717      150.9002       12.84423      165.1401       11.95867      122.3400 5.249397 128.0915 4.668015 -5.751488      7.024709 
1 1 1 3  11 32 o 219.8204 3.515461 487.4857       15.44425      474.0251       22.11078      500.9463       21.57236      216.7352 5.100873 222.9056 4.838901 -6.170319      7.030922 
1 1 1 3  11 33 o 92.16768 4.378637 86.28942       8.111773      93.58647       12.50417      78.99238       10.34340      96.00489 6.512259 88.33047 5.854942 7.674416       8.757275 
1 1 1 3  11 34 o 40.69197 8.549649 18.05844       7.580434      22.94675       11.85240      13.16303       9.443663      45.71161 12.57633 35.67233 11.58542 10.03927       17.09930 
1 1 1 3  11 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  11 36 o 61.17741 6.942142 40.83516       7.856731      28.38058       11.74613      53.29683       10.43549      50.40751 11.83973 71.94731 7.252179 -21.53980      13.88428 
1 1 1 3  11 37 o 134.0551 3.792488 183.3473       10.18045      187.6689       15.36632      178.9549       13.36140      135.4946 5.670456 132.6157 5.037638 2.878845       7.584977 
1 1 1 3  11 38 o 44.83741 8.803202 23.57019       9.110690      8.713958       12.24205      38.42642       13.49601      32.18137 12.77427 57.49346 12.11625 -25.31209      17.60640 
1 1 1 3  11 39 o 21.22227 6.832337 -5.887943      6.612689      3.083890       10.36465      -14.86332      8.218040      26.73811 11.28805 15.70644 7.700857 11.03167       13.66467 
1 1 1 3  11 40 o 63.08965 5.610042 43.03844       7.055471      41.56487       10.49926      44.50494       9.429493      61.65218 8.514910 64.52713 7.306612 -2.874950      11.22008 
1 1 1 3  11 41 f 120.5855 4.008918 152.2463       9.649114      147.0746       14.16195      157.4888       13.10636      118.2079 5.990272 122.9631 5.329386 -4.755203      8.017837 
1 1 1 3  11 42 o 27.11937 7.726981 8.076350       6.513506      6.365439       9.514507      9.790804       8.898154      25.92427 10.87353 28.31446 10.98141 -2.390188      15.45396 
1 1 1 3  11 43 o 89.12718 4.026372 86.36028       7.190785      97.27043       10.76847      75.52096       9.528677      94.77448 5.681101 83.47988 5.707170 11.29459       8.052745 
1 1 1 3  11 44 o 71.52150 4.402054 58.19931       6.294595      58.44019       9.266549      57.95844       8.522675      71.27869 6.500225 71.76431 5.937963 -0.4856186     8.804108 
1 1 1 3  11 45 o 20.72220 6.373010 4.374690       4.969789      3.035716       7.068932      5.713664       6.987460      19.79893 8.812455 21.64547 9.208781 -1.846548      12.74602 
1 1 1 3  12 0  o 15.88557 9.368155 2.973372       4.984667      2.973372       4.984667      2.973372       4.984667      15.88557 9.368155 15.88557 9.368155 0.000000       0.000000 
1 1 1 3  12 1  o 402.5010 4.441630 1622.355       35.75556      1612.436       50.26465      1632.273       50.86684      401.2723 6.263161 403.7298 6.299614 -2.457489      8.883261 
1 1 1 3  12 2  f 359.2908 4.052562 1292.216       29.13154      1263.170       40.32507      1321.971       42.04661      355.2080 5.676262 363.3735 5.785591 -8.165497      8.105124 
1 1 1 3  12 3  o 326.1071 2.675474 1064.095       17.45625      1043.549       24.20780      1084.640       25.15004      322.9602 3.747799 329.2540 3.819246 -6.293823      5.350947 
1 1 1 3  12 4  o 251.6954 2.244047 633.7101       11.29981      626.7673       15.84807      640.7238       16.10311      250.3098 3.165690 253.0809 3.181415 -2.771088      4.488095 
1 1 1 3  12 5  o 269.9596 2.342076 728.9969       12.64586      750.9589       18.31348      707.4600       17.45625      273.9855 3.342052 265.9337 3.282068 8.051849       4.684153 
1 1 1 3  12 6  o 219.6688 2.087194 482.6682       9.167366      490.2487       13.08510      475.1586       12.85132      221.3856 2.955274 217.9520 2.948199 3.433655       4.174389 
1 1 1 3  12 7  o 312.8987 2.586008 979.7889       16.18812      974.1212       22.77672      984.7480       22.99634      312.0502 3.649529 313.7471 3.664790 -1.696960      5.172016 
1 1 1 3  12 8  o 139.4244 2.148630 194.5409       5.988543      204.9551       8.586436      184.1975       8.352647      143.1460 2.999189 135.7029 3.077550 7.443130       4.297261 
1 1 1 3  12 9  o 124.6247 2.076613 155.7177       5.209954      170.9494       8.083434      140.4860       6.573724      130.7332 3.091578 118.5162 2.773343 12.21693       4.153226 
1 1 1 3  12 10 o 625.2582 4.658440 3914.196       58.27016      4026.840       84.73083      3800.844       80.05505      634.2783 6.679311 616.2382 6.495463 18.04010       9.316879 
1 1 1 3  12 11 o 98.94417 2.312427 98.12057       4.558179      107.7555       6.426365      88.55647       6.466040      103.7952 3.095695 94.09312 3.435979 9.702087       4.624855 
1 1 1 3  12 12 o 453.7218 4.016941 2060.178       36.46401      2114.020       52.67339      2007.044       50.43468      459.6087 5.730243 447.8348 5.630947 11.77393       8.033881 
1 1 1 3  12 13 o 333.1942 3.525621 1110.852       23.47101      1101.642       36.28690      1120.062       29.79040      331.7932 5.468302 334.5952 4.451707 -2.802063      7.051242 
1 1 1 3  12 14 o 565.3477 4.900112 3199.368       55.38676      3192.992       78.00054      3205.744       78.70899      564.7864 6.905314 565.9091 6.954209 -1.122681      9.800224 
1 1 1 3  12 15 o 554.4438 4.831467 3078.223       53.56604      3120.022       76.93786      3035.716       74.59997      558.2350 6.891171 550.6526 6.773778 7.582397       9.662934 
1 1 1 3  12 16 o 427.1649 3.346525 1825.680       28.60020      1789.549       39.65205      1862.520       41.21772      422.8995 4.688117 431.4303 4.776869 -8.530853      6.693050 
1 1 1 3  12 17 o 189.5017 2.682427 359.5393       10.07418      380.2261       12.04368      338.8525       16.14561      194.9698 3.088602 184.0336 4.386594 10.93617       5.364855 
1 1 1 3  12 18 o 399.9273 3.245817 1600.393       25.95767      1597.559       36.59153      1603.226       36.83949      399.5738 4.578820 400.2808 4.601707 -0.7069397     6.491633 
1 1 1 3  12 19 o 392.9820 3.146054 1545.133       24.72497      1555.052       35.13921      1535.924       34.79915      394.1974 4.457057 391.7665 4.441313 2.430939       6.292107 
1 1 1 3  12 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 21 o 456.2313 3.521899 2084.265       32.13537      2087.099       45.49677      2080.723       45.39759      456.5800 4.982344 455.8824 4.979090 0.6976013      7.043797 
1 1 1 3  12 22 o 187.3263 2.400177 351.3213       9.004422      367.4031       13.24096      335.2394       12.19954      191.6138 3.455117 183.0388 3.332502 8.575073       4.800354 
1 1 1 3  12 23 o 135.3816 2.103829 183.4890       5.746252      192.1321       9.656199      174.9167       6.235084      138.5389 3.485014 132.2243 2.357769 6.314621       4.207659 
1 1 1 3  12 24 o 31.61889 4.021247 10.22296       2.501543      10.91016       4.009837      9.528677       2.991084      32.40599 6.415053 30.83178 4.850651 1.574213       8.042495 
1 1 1 3  12 25 o 149.8521 1.842535 224.7917       5.538676      229.1841       9.089437      220.3285       6.336393      151.3088 3.003604 148.3953 2.134971 2.913544       3.685070 
1 1 1 3  12 26 o 56.08080 2.068664 31.49068       2.313095      30.76097       3.650652      32.22039       2.841600      55.42238 3.293482 56.73921 2.504089 -1.316833      4.137328 
1 1 1 3  12 27 o 135.9374 1.886967 185.1893       5.150445      197.8706       7.870899      172.5788       6.645986      140.5752 2.799534 131.2996 2.530848 9.275589       3.773935 
1 1 1 3  12 28 o 206.4159 2.750874 0.000000       0.000000      ?              ?             426.7713       11.35648      ?        ?        206.4159 2.750874 ?              ?        
1 1 1 3  12 29 o 270.3523 3.143189 733.9561       16.96742      730.4138       29.03235      738.2068       17.56252      269.3401 5.389534 271.3645 3.235965 -2.024384      6.286378 
1 1 1 3  12 30 o 172.1144 5.110223 298.4707       17.59086      298.4707       17.59086      ?              ?             172.1144 5.110223 ?        ?        ?              ?        
1 1 1 3  12 31 o 48.61987 6.899334 25.32715       6.674324      33.41059       10.37173      17.23663       8.402238      57.10912 9.080629 40.13063 10.38968 16.97849       13.79867 
1 1 1 3  12 32 f 142.7665 3.582366 205.7344       10.20170      194.9659       14.89166      216.5737       13.94233      138.9412 5.358977 146.5917 4.755497 -7.650497      7.164732 
1 1 1 3  12 33 o 163.5971 3.605803 270.6994       11.83823      287.5606       17.95217      253.7674       15.43008      168.6340 5.322819 158.5603 4.865683 10.07376       7.211607 
1 1 1 3  12 34 o 63.52029 7.280206 42.88259       8.969000      41.96868       14.16904      43.78941       10.99517      61.93366 11.86194 65.10692 8.443935 -3.173260      14.56041 
1 1 1 3  12 35 f 122.4660 4.328259 153.8757       10.44258      130.8510       15.32381      176.9004       14.19737      112.9724 6.782106 131.9596 5.379438 -18.98726      8.656518 
1 1 1 3  12 36 o 73.01190 5.584188 55.37259       8.104689      52.55295       12.39791      58.19223       10.43549      70.84512 8.750007 75.17868 6.940462 -4.333557      11.16838 
1 1 1 3  12 37 o 209.0827 3.609350 445.6162       15.07585      434.7769       21.88408      456.4555       20.75055      206.3840 5.301786 211.7814 4.899051 -5.397369      7.218700 
1 1 1 3  12 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 39 o 25.81993 7.539818 1.819304       6.892527      11.37774       10.66928      -7.736294      8.721042      32.78028 12.19109 18.85958 8.875396 13.92070       15.07964 
1 1 1 3  12 40 o 25.22663 7.470498 3.110103       6.563097      -0.5307012     9.960832      6.750837       8.543928      23.38654 10.43359 27.06673 10.69455 -3.680189      14.94100 
1 1 1 3  12 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  12 43 o 35.48927 7.143517 17.17287       5.659113      11.22188       8.175533      23.11678       7.828392      28.72941 10.67425 42.24913 9.496301 -13.51973      14.28703 
1 1 1 3  12 44 o 65.71495 4.866201 51.16439       6.369689      47.92677       9.167366      54.40201       8.848563      63.03868 7.271223 68.39122 6.469078 -5.352539      9.732402 
1 1 1 3  13 0  o 608.7495 6.437331 3709.454       78.35477      3709.454       78.35477      3709.454       78.35477      608.7495 6.437331 608.7495 6.437331 0.000000       0.000000 
1 1 1 3  13 1  o 396.8141 3.134936 1575.597       24.88083      1574.888       35.16046      1576.305       35.21006      396.7250 4.431340 396.9032 4.435597 -0.1781616     6.269872 
1 1 1 3  13 2  f 248.3748 2.444886 617.2740       12.17120      633.5684       18.65354      600.9088       15.63553      251.6540 3.706186 245.0956 3.189680 6.558426       4.889772 
1 1 1 3  13 3  o 251.7373 2.642777 633.9935       13.30472      639.0944       18.79523      628.8926       18.83773      252.7505 3.718137 250.7241 3.756666 2.026489       5.285555 
1 1 1 3  13 4  o 372.6417 3.453876 1389.982       25.74514      1407.694       36.69072      1371.563       36.11687      375.0637 4.891264 370.2198 4.877761 4.843964       6.907751 
1 1 1 3  13 5  o 421.7970 3.814250 1781.048       32.19205      1841.975       46.84283      1720.121       44.17905      429.0096 5.459416 414.5844 5.328114 14.42520       7.628500 
1 1 1 3  13 6  o 226.7158 2.524257 514.7610       11.46984      478.7717       15.28131      550.8212       17.10911      218.7749 3.492472 234.6566 3.645564 -15.88164      5.048514 
1 1 1 3  13 7  o 445.5025 4.471071 1987.207       39.94960      1939.741       48.84066      2033.965       63.22932      440.2676 5.546703 450.7375 7.013985 -10.46991      8.942142 
1 1 1 3  13 8  o 225.0900 2.477142 506.7556       11.15103      504.3468       15.55052      509.2351       15.98976      224.5479 3.462628 225.6322 3.543324 -1.084229      4.954285 
1 1 1 3  13 9  o 111.8486 2.357398 125.2543       5.280091      118.5240       7.141194      131.9137       7.778800      108.8569 3.280084 114.8404 3.386789 -5.983490      4.714795 
1 1 1 3  13 10 o 338.3621 3.199693 1145.567       21.65737      1173.905       31.06561      1117.229       30.18005      342.5475 4.534497 334.1767 4.515582 8.370789       6.399386 
1 1 1 3  13 11 o 347.3081 3.076099 1207.202       21.39524      1189.491       27.65796      1224.205       32.63837      344.8224 4.010464 349.7937 4.665375 -4.971313      6.152198 
1 1 1 3  13 12 o 188.9132 2.088930 356.9889       7.892153      355.7137       11.08019      358.1932       11.24313      188.5853 2.937711 189.2411 2.970584 -0.6557312     4.177860 
1 1 1 3  13 13 o 297.1858 2.563871 883.4393       15.23880      886.2732       21.60069      880.6056       21.50151      297.6624 3.628389 296.7092 3.623331 0.9531555      5.127742 
1 1 1 3  13 14 o 449.1504 3.497876 2018.379       31.42692      1991.458       43.86025      2046.009       45.01502      446.1178 4.915771 452.1830 4.977523 -6.065247      6.995751 
1 1 1 3  13 15 o 622.7668 5.411573 3884.441       67.40919      3892.234       95.42845      3877.357       95.21592      623.3629 7.654327 622.1707 7.651913 1.192139       10.82315 
1 1 1 3  13 16 o 448.4797 3.528808 2013.420       31.66780      1954.619       43.63354      2071.513       45.90059      441.9709 4.936246 454.9886 5.044148 -13.01761      7.057617 
1 1 1 3  13 17 o 238.3180 3.456194 568.3909       16.50693      557.3391       20.39633      579.4427       25.96476      236.0183 4.320920 240.6176 5.395439 -4.599319      6.912388 
1 1 1 3  13 18 o 76.08763 3.258332 57.98678       4.936492      61.25274       6.545386      54.71373       7.389152      78.23961 4.182911 73.93566 4.997015 4.303947       6.516664 
1 1 1 3  13 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 20 o 173.3584 2.163185 300.6670       7.502505      302.7214       10.99517      298.6124       10.20879      173.9482 3.160473 172.7687 2.954468 1.179489       4.326369 
1 1 1 3  13 21 o 84.34886 2.906144 71.27025       4.932950      75.02505       7.828392      67.49420       5.999169      86.57122 4.521359 82.12651 3.652395 4.444710       5.812287 
1 1 1 3  13 22 o 406.2344 3.217045 1653.526       26.14896      1698.159       37.80299      1608.186       36.13104      411.7570 4.590449 400.7119 4.508357 11.04507       6.434090 
1 1 1 3  13 23 o 262.1738 2.664023 688.3318       13.97067      675.7213       19.26280      701.0131       20.24755      259.7711 3.707649 264.5764 3.826409 -4.805267      5.328045 
1 1 1 3  13 24 o 44.36285 3.260379 19.73038       2.901110      18.98651       3.715830      20.48134       4.456161      43.52985 4.268139 45.19585 4.929834 -1.666000      6.520758 
1 1 1 3  13 25 o 70.63512 2.257072 49.96711       3.171739      48.35183       5.106521      51.58946       3.764004      69.47581 3.675035 71.79443 2.621377 -2.318611      4.514143 
1 1 1 3  13 26 o 169.8918 2.031706 289.0483       6.922991      294.5034       11.17229      283.5224       8.175533      171.4760 3.257682 168.3075 2.428748 3.168427       4.063411 
1 1 1 3  13 27 o 110.8323 3.106808 123.3415       6.898195      124.2624       12.58210      122.3496       5.661947      111.1240 5.661288 110.5406 2.561025 0.5834045      6.213617 
1 1 1 3  13 28 o 42.76185 2.388336 18.46934       2.056636      21.61486       3.191576      15.32381       2.593642      46.42805 3.437120 39.09565 3.317047 7.332401       4.776672 
1 1 1 3  13 29 o 227.6399 2.968477 520.5704       13.42516      507.8182       23.09553      533.3933       13.69437      224.5874 5.141769 230.6924 2.968103 -6.105026      5.936954 
1 1 1 3  13 30 o 160.5220 2.967270 259.7893       9.769550      287.9857       17.17287      231.6637       9.330310      169.0523 5.079160 151.9917 3.069350 17.06061       5.934541 
1 1 1 3  13 31 f 70.57710 5.045367 50.70389       7.134109      52.43252       10.61969      48.97527       9.521592      71.73402 7.402132 69.42019 6.857942 2.313828       10.09073 
1 1 1 3  13 32 o 72.18268 5.123985 53.19764       7.424574      58.30558       11.25021      48.08971       9.691620      75.62080 7.438572 68.74455 7.049009 6.876244       10.24797 
1 1 1 3  13 33 o 60.82098 6.568217 38.25640       8.005506      39.10654       12.44750      37.40625       10.06001      61.30220 10.15257 60.33977 8.336140 0.9624252      13.13643 
1 1 1 3  13 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 35 o 68.76129 5.993114 49.14530       8.232210      49.03195       12.65295      49.26574       10.54176      68.43124 9.245008 69.09135 7.628859 -0.6601028     11.98623 
1 1 1 3  13 36 o 112.3625 4.179337 129.2924       9.422408      136.7312       14.33198      121.9245       12.23496      115.4488 6.207069 109.2761 5.598189 6.172775       8.358674 
1 1 1 3  13 37 o 99.07290 4.470445 101.4503       8.883986      106.2678       13.60227      96.63282       11.43441      101.2223 6.719012 96.92352 5.898677 4.298752       8.940890 
1 1 1 3  13 38 o 131.5680 3.859882 178.0339       10.17337      182.8514       15.27422      173.2873       13.43225      133.1452 5.735924 129.9908 5.166616 3.154480       7.719763 
1 1 1 3  13 39 o 122.3067 4.029771 155.5760       9.790804      141.3361       14.28947      169.8159       13.38974      116.3358 6.141476 128.2775 5.219051 -11.94171      8.059543 
1 1 1 3  13 40 o 120.2480 4.123404 151.9629       9.925409      155.5052       14.91291      148.4207       13.10636      121.3281 6.145693 119.1679 5.499116 2.160278       8.246807 
1 1 1 3  13 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  13 42 o 38.42200 7.697067 20.45300       6.311597      25.80181       9.507423      15.09711       8.303054      43.66463 10.90727 33.17939 10.86328 10.48524       15.39413 
1 1 1 3  13 43 o 43.86613 9.521264 0.000000       0.000000      ?              ?             25.32715       8.118857      ?        ?        43.86613 9.521264 ?              ?        
1 1 1 3  13 44 o 18.01458 5.941479 -1.928406      5.350228      -4.859271      7.934660      1.003168       7.176617      16.97229 8.140965 19.05688 8.656177 -2.084591      11.88296 
1 1 1 3  14 0  o 129.8011 2.898674 168.7532       7.516674      168.7532       7.516674      168.7532       7.516674      129.8011 2.898674 129.8011 2.898674 0.000000       0.000000 
1 1 1 3  14 1  o 585.2780 4.410111 3428.907       51.61780      3447.326       73.39561      3410.487       72.61631      586.8485 6.253369 583.7075 6.220265 3.140991       8.820223 
1 1 1 3  14 2  o 418.0577 3.290945 1749.168       27.52335      1716.579       38.24931      1781.048       39.58120      414.2063 4.617181 421.9091 4.690726 -7.702820      6.581890 
1 1 1 3  14 3  o 298.1748 2.972106 889.1071       17.71838      889.8155       24.88791      889.1071       25.24214      298.2351 4.172532 298.1145 4.233631 0.1206055      5.944211 
1 1 1 3  14 4  o 615.1290 5.322005 3788.800       65.46803      3800.135       92.66550      3777.465       92.52380      616.0497 7.520942 614.2083 7.531957 1.841492       10.64401 
1 1 1 3  14 5  o 249.2421 2.681588 621.4539       13.37557      607.6390       18.37016      635.3395       19.43991      246.4658 3.726714 252.0183 3.856846 -5.552490      5.363176 
1 1 1 3  14 6  o 726.6426 6.949224 5290.718       101.0252      5307.012       156.7095      5274.424       127.5213      727.6154 10.76871 725.6699 8.786456 1.945557       13.89845 
1 1 1 3  14 7  o 177.4592 2.738687 315.1902       9.670367      330.1385       12.44041      300.2419       14.81373      181.6756 3.423798 173.2429 4.275423 8.432755       5.477375 
1 1 1 3  14 8  o 61.31330 3.591307 37.69672       4.378232      41.15396       6.014756      34.23239       6.364731      64.13645 4.689031 58.49015 5.440857 5.646301       7.182613 
1 1 1 3  14 9  f 356.3039 3.389040 1270.254       24.15112      1284.423       34.44493      1256.085       33.86399      358.2906 4.806842 354.3172 4.778768 3.973358       6.778080 
1 1 1 3  14 10 o 174.8147 2.755352 306.1929       9.578268      281.9638       14.07694      330.4219       13.00009      167.8823 4.192502 181.7471 3.576422 -13.86485      5.510705 
1 1 1 3  14 11 o 226.7147 2.693026 514.1943       12.21371      517.5240       17.51293      510.7938       17.02410      227.4559 3.849742 225.9735 3.766834 1.482346       5.386052 
1 1 1 3  14 12 o 512.0196 4.560433 2624.105       46.70114      2649.610       66.70782      2598.601       65.38302      514.5054 6.482713 509.5337 6.415966 4.971710       9.120866 
1 1 1 3  14 13 o 423.8336 3.638653 1797.342       30.86724      1816.470       47.06245      1778.922       39.95668      426.0235 5.523458 421.6436 4.738205 4.379822       7.277305 
1 1 1 3  14 14 o 483.6959 7.770041 0.000000       0.000000      ?              ?             2343.559       75.16674      ?        ?        483.6959 7.770041 ?              ?        
1 1 1 3  14 15 o 584.6328 4.813797 3421.822       56.24399      3464.329       74.45828      3380.024       84.30576      588.2811 6.328461 580.9846 7.255422 7.296570       9.627594 
1 1 1 3  14 16 f 215.6505 2.654164 465.4529       11.43441      445.4036       16.25897      485.5020       16.08894      211.0016 3.852808 220.2995 3.651606 -9.297989      5.308329 
1 1 1 3  14 17 o 532.5415 4.097314 2839.475       43.64063      2869.230       62.28708      2809.720       61.14647      535.3293 5.817642 529.7537 5.771218 5.575623       8.194628 
1 1 1 3  14 18 o 85.74991 2.969512 73.74983       5.045594      80.97604       6.699829      66.54488       7.545012      89.96088 3.723745 81.53894 4.626631 8.421944       5.939023 
1 1 1 3  14 19 o 285.0733 3.250547 814.7195       18.89441      743.1660       19.03610      886.9816       32.63837      272.5331 3.492438 297.6135 5.483349 -25.08041      6.501095 
1 1 1 3  14 20 o 163.5681 2.090288 267.7239       6.836560      275.8711       9.656199      259.5768       9.677451      166.0586 2.907467 161.0775 3.003973 4.981079       4.180577 
1 1 1 3  14 21 o 275.9560 2.934740 762.2941       16.11728      789.2153       19.76581      736.0814       25.46884      280.8099 3.519428 271.1021 4.697278 9.707794       5.869480 
1 1 1 3  14 22 o 144.0915 2.052880 207.9306       5.908488      217.2113       8.274716      198.5790       8.437660      147.3253 2.808315 140.8576 2.995103 6.467697       4.105761 
1 1 1 3  14 23 o 197.9359 2.582684 392.3406       10.22296      392.4823       11.76738      392.1989       16.71946      198.0190 2.971277 197.8529 4.225226 0.1660767      5.165368 
1 1 1 3  14 24 o 74.54990 2.447291 55.77641       3.623022      60.91977       4.900361      50.63305       5.337476      78.00409 3.141093 71.09570 3.753727 6.908394       4.894581 
1 1 1 3  14 25 o 90.93654 2.131540 82.81801       3.883024      80.33842       5.108645      85.29759       5.849687      89.58096 2.851413 92.29211 3.169115 -2.711159      4.263079 
1 1 1 3  14 26 o 111.1285 1.994417 124.2624       4.536217      140.7694       7.686701      107.6847       4.819597      118.5355 3.242362 103.7215 2.323336 14.81408       3.988835 
1 1 1 3  14 27 o 186.0220 2.108333 346.7872       7.821308      340.6945       12.68837      352.8090       9.146112      184.3360 3.441643 187.7080 2.436260 -3.372009      4.216665 
1 1 1 3  14 28 o 93.11469 1.944979 87.42295       3.717247      100.8835       6.306637      73.89152       3.937575      100.3229 3.143170 85.90649 2.291780 14.41640       3.889958 
1 1 1 3  14 29 o 161.7536 1.960263 262.2688       6.341352      262.7648       10.18754      261.7021       7.559181      161.8649 3.146926 161.6423 2.338243 0.2225952      3.920526 
1 1 1 3  14 30 o 126.2155 1.668280 159.6142       4.232999      164.9276       6.938577      154.3008       4.852186      128.2839 2.704383 124.1470 1.954210 4.136909       3.336559 
1 1 1 3  14 31 o 37.84961 6.311433 13.99901       5.442327      10.08835       10.47092      17.90258       2.961328      33.47700 12.12596 42.22222 3.506836 -8.745224      12.62287 
1 1 1 3  14 32 o 124.8560 3.980134 157.8430       9.932493      157.7722       14.89166      157.9139       13.16303      124.7316 5.969479 124.9804 5.266041 -0.2487335     7.960268 
1 1 1 3  14 33 o 130.6316 4.491926 174.3500       11.59027      153.9466       17.28622      194.7534       15.45133      122.6906 7.044642 138.5725 5.575179 -15.88196      8.983851 
1 1 1 3  14 34 o 97.59695 5.085475 97.97889       9.904156      95.99522       14.97667      99.96254       12.97175      96.38234 7.769406 98.81156 6.563884 -2.429222      10.17095 
1 1 1 3  14 35 o 80.73593 5.347233 67.51546       8.558097      62.46420       12.95758      72.54546       11.19354      77.41523 8.368885 84.05664 6.658331 -6.641411      10.69447 
1 1 1 3  14 36 o 102.1830 4.494079 107.4721       9.153197      102.7255       13.69437      112.2896       12.13578      99.66471 6.870222 104.7012 5.795433 -5.036514      8.988158 
1 1 1 3  14 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  14 38 o 22.53487 7.164173 -2.778548      6.864897      -5.152570      10.61261      -0.4046676     8.713958      22.40390 10.29408 22.66585 9.966619 -0.2619419     14.32835 
1 1 1 3  14 39 o 81.83450 5.102483 71.97870       8.359732      73.53729       12.78047      70.40594       10.77555      82.27475 7.766946 81.39426 6.619356 0.8804855      10.20497 
1 1 1 3  14 40 o 34.83041 8.825191 15.26005       8.033843      12.36957       12.27747      18.15762       10.36465      32.40586 12.81499 37.25495 12.13721 -4.849094      17.65038 
1 1 1 3  14 41 o 25.69264 7.760349 1.744917       7.849646      9.911241       9.705790      -6.419281      12.34123      29.13900 11.43436 22.24628 10.49512 6.892725       15.52070 
1 1 1 3  14 42 o 26.29736 7.853862 7.197870       7.204955      1.161861       8.742295      13.24096       11.46275      21.83234 9.756460 30.76237 12.31032 -8.930033      15.70772 
1 1 1 3  14 43 o 27.82446 8.489660 11.73196       8.735210      7.800055       12.46167      15.66387       12.24913      25.69302 11.55959 29.95589 12.43677 -4.262875      16.97932 
1 1 1 3  14 44 o 28.56407 8.439603 17.09494       8.239295      23.78273       12.16412      10.40716       11.12269      32.34838 12.76725 24.77975 11.04106 7.568626       16.87921 
1 1 1 3  15 0  f 615.5660 9.275173 3795.176       114.1316      3795.176       114.1316      3795.176       114.1316      615.5660 9.275173 615.5660 9.275173 -0.000000      0.000000 
1 1 1 3  15 1  o 211.2195 3.168000 446.3246       13.38265      448.5208       19.02193      444.1284       18.83065      211.7389 4.491837 210.7000 4.468592 1.038879       6.336001 
1 1 1 3  15 2  o 489.6539 4.368238 2399.526       42.77632      2419.363       60.84184      2379.689       60.15464      491.6773 6.187171 487.6305 6.168056 4.046814       8.736476 
1 1 1 3  15 3  o 476.9083 4.273990 2276.256       40.77140      2238.708       56.66197      2313.804       58.64564      472.9778 5.989920 480.8387 6.098265 -7.860992      8.547980 
1 1 1 3  15 4  o 492.2834 3.802406 2425.031       37.44168      2383.232       52.11371      2466.829       53.77857      488.0426 5.339054 496.5243 5.415503 -8.481659      7.604813 
1 1 1 3  15 5  o 296.1418 2.602296 877.7718       15.41591      852.9760       21.30314      901.8591       22.29498      292.0170 3.647587 300.2666 3.712531 -8.249573      5.204591 
1 1 1 3  15 6  o 635.4491 4.767488 4042.426       60.58679      4058.720       86.00604      4025.423       85.36844      636.7567 6.753447 634.1415 6.731025 2.615173       9.534975 
1 1 1 3  15 7  o 148.3278 2.175090 220.0451       6.451871      216.0069       9.075267      224.1541       9.174451      146.9548 3.087775 149.7008 3.064263 -2.745987      4.350179 
1 1 1 3  15 8  o 264.1954 2.468087 698.3209       13.04968      716.9532       18.88733      679.6886       18.00176      267.7198 3.527442 260.6711 3.452965 7.048737       4.936174 
1 1 1 3  15 9  o 137.9830 2.214716 190.6444       6.111105      203.3257       8.827310      177.9631       8.451830      142.5776 3.095616 133.3884 3.168128 9.189224       4.429433 
1 1 1 3  15 10 o 499.9283 4.182009 2500.835       41.84825      2526.339       63.85985      2476.039       54.09738      502.4134 6.355308 497.4433 5.437542 4.970123       8.364018 
1 1 1 3  15 11 o 88.84384 3.167595 79.06322       5.596061      85.43929       7.601687      72.75800       8.218040      92.41397 4.112845 85.27372 4.818624 7.140251       6.335191 
1 1 1 3  15 12 o 434.1691 4.967269 1888.732       43.15888      1815.053       59.13447      1961.703       62.88218      425.7435 6.944848 442.5947 7.103812 -16.85120      9.934539 
1 1 1 3  15 13 o 685.0481 5.963002 4702.703       81.75533      4585.100       112.8564      4820.306       118.2406      676.4954 8.341252 693.6009 8.523677 -17.10553      11.92600 
1 1 1 3  15 14 o 340.5984 3.468140 1161.152       23.62687      1155.485       33.17680      1166.112       33.64437      339.8199 4.881526 341.3770 4.927745 -1.557068      6.936280 
1 1 1 3  15 15 o 170.5716 3.019746 291.1028       10.30089      291.0320       12.70963      291.1737       16.21646      170.5618 3.725813 170.5814 4.753291 -0.1963806E-01 6.039492 
1 1 1 3  15 16 o 275.8256 2.637610 760.8772       14.55160      773.6293       20.70096      748.8336       20.45300      278.0722 3.722228 273.5790 3.738043 4.493164       5.275220 
1 1 1 3  15 17 o 357.3848 6.468318 1279.464       46.23357      1279.464       46.23357      ?              ?             357.3848 6.468318 ?        ?        ?              ?        
1 1 1 3  15 18 o 268.7363 2.504005 722.6208       13.46058      726.8716       19.00776      718.3701       19.05735      269.5274 3.526128 267.9452 3.556203 1.582153       5.008009 
1 1 1 3  15 19 o 472.1205 3.683486 2231.623       34.77790      2240.125       49.34367      2223.830       49.03195      472.9813 5.216239 471.2596 5.202222 1.721619       7.366971 
1 1 1 3  15 20 o 289.2232 2.770025 837.3900       16.00393      850.1422       21.18271      824.6379       24.00235      291.4458 3.634074 287.0006 4.181585 4.445190       5.540049 
1 1 1 3  15 21 o 188.3902 2.411517 355.3594       9.082352      367.3322       12.74505      343.4574       12.93633      191.5600 3.326647 185.2204 3.492145 6.339584       4.823034 
1 1 1 3  15 22 o 111.7451 2.228783 125.0417       4.976873      127.0254       6.635359      122.9872       7.417490      112.6549 2.944994 110.8353 3.346178 1.819618       4.457567 
1 1 1 3  15 23 o 137.5423 2.220403 189.5109       6.085601      198.7207       8.040927      180.3010       9.131943      140.9004 2.853409 134.1842 3.402765 6.716217       4.440805 
1 1 1 3  15 24 o 161.2565 2.182294 260.8520       7.008005      283.3099       9.719957      238.3940       10.09544      168.2238 2.888996 154.2892 3.271595 13.93459       4.364589 
1 1 1 3  15 25 o 171.7798 2.058002 295.5661       7.072474      288.7650       9.769550      302.2964       10.23004      169.8160 2.876511 173.7436 2.944006 -3.927643      4.116004 
1 1 1 3  15 26 o 153.2552 2.020310 235.2768       6.193994      235.9853       8.650196      234.5684       8.862731      153.4896 2.817845 153.0209 2.895922 0.4686737      4.040620 
1 1 1 3  15 27 o 65.46037 2.233114 43.14471       2.935116      48.91151       4.466080      37.37791       3.809345      69.85298 3.196772 61.06775 3.118950 8.785233       4.466228 
1 1 1 3  15 28 o 107.9291 2.027173 116.8237       4.403736      121.0036       7.282885      112.5730       4.948535      109.8367 3.315324 106.0215 2.333742 3.815193       4.054347 
1 1 1 3  15 29 o 102.2388 2.046899 104.9926       4.252128      114.2024       7.176617      95.78268       4.564555      106.6876 3.363378 97.79007 2.333854 8.897560       4.093799 
1 1 1 3  15 30 o 70.25867 2.064151 49.51369       2.901819      49.72623       4.597144      49.30116       3.542259      70.38257 3.265826 70.13476 2.525324 0.2478104      4.128302 
1 1 1 3  15 31 f 133.0204 1.789748 177.4672       4.801178      186.0394       7.962997      168.8949       5.363688      136.1828 2.923643 129.8580 2.065213 6.324844       3.579496 
1 1 1 3  15 32 o 152.4680 3.139140 234.5684       9.769550      249.6584       18.05844      219.4784       7.445828      156.9745 5.752030 147.9615 2.516137 9.012955       6.278280 
1 1 1 3  15 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 34 o 166.9799 3.898383 283.6641       13.04968      298.4707       19.58161      268.9283       17.25080      171.2256 5.718071 162.7341 5.300303 8.491562       7.796765 
1 1 1 3  15 35 o 34.34743 8.116957 10.59844       7.644195      23.93150       11.87365      -2.728248      9.634944      45.74291 12.58878 22.95196 10.25001 22.79095       16.23391 
1 1 1 3  15 36 o 127.1520 4.137486 166.2736       10.55593      175.3418       16.11019      157.2763       13.64478      130.4110 6.176701 123.8930 5.506680 6.517990       8.274972 
1 1 1 3  15 37 o 47.45438 9.468108 27.67213       9.500339      21.18979       11.78864      34.16154       14.90582      42.17806 12.83190 52.73069 13.92561 -10.55263      18.93622 
1 1 1 3  15 38 o 66.16902 8.911489 52.80800       11.39190      55.92518       17.34998      49.69081       14.77830      67.52364 13.32162 64.81440 11.84031 2.709236       17.82298 
1 1 1 3  15 39 o 54.11798 9.975850 39.61662       11.00226      41.10437       17.10203      38.12888       13.85023      53.89838 15.20602 54.33759 12.91694 -0.4392014     19.95170 
1 1 1 3  15 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  15 42 o 32.49921 8.746799 17.98759       8.069265      26.15604       13.83606      9.819141       8.317224      37.81288 13.91504 27.18555 10.60178 10.62733       17.49360 
1 1 1 3  15 43 o 37.96338 7.573138 22.12495       6.062930      19.29114       8.593520      24.95876       8.551013      34.76883 11.02798 41.15792 10.38235 -6.389099      15.14628 
1 1 1 3  16 0  o 264.3701 3.513233 699.3836       18.56852      699.3836       18.56852      699.3836       18.56852      264.3701 3.513233 264.3701 3.513233 0.000000       0.000000 
1 1 1 3  16 1  o 343.3011 3.351442 1178.864       23.01051      1163.278       32.29832      1195.158       32.78715      340.9809 4.736089 345.6214 4.743217 -4.640472      6.702884 
1 1 1 3  16 2  o 123.8462 2.772971 153.4507       6.871982      156.6387       10.06001      150.2626       9.365732      125.1317 4.019770 122.5607 3.820854 2.571007       5.545943 
1 1 1 3  16 3  o 211.4318 2.704486 447.1748       11.43441      441.4363       16.28731      452.9840       16.05352      210.0659 3.876714 212.7978 3.772012 -2.731934      5.408973 
1 1 1 3  16 4  o 192.2297 2.680632 369.7410       10.30797      381.1471       14.96250      358.3349       14.19029      195.1947 3.832712 189.2647 3.748794 5.929977       5.361263 
1 1 1 3  16 5  o 507.5747 4.549142 2578.765       46.19106      2628.356       66.59447      2529.881       64.02987      512.4151 6.498098 502.7343 6.368162 9.680756       9.098284 
1 1 1 3  16 6  o 236.9355 2.401055 561.6606       11.38482      578.8051       16.50693      544.5161       15.67804      240.5519 3.431052 233.3192 3.359784 7.232773       4.802111 
1 1 1 3  16 7  o 331.6930 2.851037 1100.226       18.91566      1104.476       26.85032      1096.683       26.64487      332.2799 4.040317 331.1061 4.023615 1.173859       5.702073 
1 1 1 3  16 8  o 249.5275 2.448276 622.8000       12.22079      621.1705       17.28622      624.4294       17.27205      249.2009 3.468330 249.8540 3.456430 -0.6530609     4.896552 
1 1 1 3  16 9  o 190.5409 2.291940 363.1524       8.735210      363.8608       12.31998      362.4439       12.38374      190.7269 3.229742 190.3549 3.252803 0.3720703      4.583880 
1 1 1 3  16 10 o 207.7056 2.330297 431.6597       9.684536      420.1119       13.43225      443.1366       13.94941      204.9355 3.277189 210.4757 3.313783 -5.540237      4.660593 
1 1 1 3  16 11 o 612.3397 7.844306 3767.547       97.90804      3497.626       88.55647      4037.467       174.7042      590.9450 7.492785 633.7343 13.78371 -42.78931      15.68861 
1 1 1 3  16 12 o 269.3571 2.664662 725.4547       14.35323      721.2039       20.05627      730.4138       20.54510      268.5035 3.734824 270.2107 3.801682 -1.707214      5.329324 
1 1 1 3  16 13 o 376.5189 3.491581 1419.029       26.37566      1368.729       33.34683      1469.329       40.87058      369.8639 4.507987 383.1740 5.333162 -13.31015      6.983163 
1 1 1 3  16 14 o 353.2112 3.609542 1248.292       25.49718      1261.044       36.18772      1236.248       35.93267      354.9653 5.097361 351.4572 5.111955 3.508026       7.219084 
1 1 1 3  16 15 o 161.5984 2.944421 261.4187       9.514507      270.1327       13.38265      252.6339       13.51726      164.3061 4.072477 158.8908 4.253633 5.415329       5.888843 
1 1 1 3  16 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 17 f 126.2827 3.509378 160.3226       9.018591      180.3010       14.85623      140.2735       10.21588      134.1799 5.535938 118.3855 4.314665 15.79443       7.018757 
1 1 1 3  16 18 o 201.7671 2.637843 407.4306       10.64803      402.7549       14.32489      412.0356       15.76305      200.6238 3.570089 202.9103 3.884242 -2.286499      5.275686 
1 1 1 3  16 19 o 288.6331 2.620416 833.8478       15.12545      838.8069       21.32440      828.8886       21.45900      289.4930 3.683059 287.7733 3.728457 1.719788       5.240831 
1 1 1 3  16 20 o 297.0263 2.647408 883.4393       15.72763      870.6873       21.86991      896.1915       22.61378      294.8861 3.708195 299.1665 3.779464 -4.280396      5.294815 
1 1 1 3  16 21 o 221.2087 3.155827 491.3113       13.99901      535.8729       21.03393      446.8206       18.48351      231.2437 4.548000 211.1737 4.376376 20.07008       6.311654 
1 1 1 3  16 22 o 179.7582 2.179082 323.6208       7.835476      334.8851       11.15812      312.2856       10.99517      182.8998 3.050336 176.6166 3.112724 6.283203       4.358165 
1 1 1 3  16 23 o 244.9507 2.380651 600.9088       11.66112      604.6636       16.40774      597.1540       16.57777      245.7190 3.338720 244.1824 3.394547 1.536667       4.761302 
1 1 1 3  16 24 o 123.2358 2.643827 152.2463       6.529800      154.7259       10.47092      149.6959       7.807138      124.2180 4.214735 122.2537 3.193007 1.964264       5.287654 
1 1 1 3  16 25 o 341.7370 2.885213 1171.779       19.72330      1159.736       27.61545      1183.823       28.16096      339.9861 4.061262 343.4880 4.099264 -3.501892      5.770426 
1 1 1 3  16 26 o 64.82515 2.887774 42.20956       3.729290      44.37033       4.966247      40.05586       5.564889      66.50320 3.733841 63.14711 4.406290 3.356087       5.775548 
1 1 1 3  16 27 o 100.2225 2.196424 100.6710       4.397360      103.2214       5.975791      98.19141       6.452579      101.4865 2.944129 98.95841 3.260248 2.528137       4.392848 
1 1 1 3  16 28 o 169.7595 2.038121 288.9066       6.916615      295.9911       9.776634      281.8929       9.790804      171.8360 2.844757 167.6830 2.919438 4.153015       4.076243 
1 1 1 3  16 29 f 178.4938 2.138083 319.5117       7.637110      320.9286       12.45458      318.1657       8.841478      178.7934 3.482953 178.1942 2.480854 0.5991821      4.276166 
1 1 1 3  16 30 o 116.7000 2.076091 136.5895       4.851478      137.9356       7.637110      135.2434       5.982875      117.2360 3.257153 116.1641 2.575183 1.071869       4.152182 
1 1 1 3  16 31 o 14.78243 4.490256 -0.8055096     2.517838      -2.670155      3.938992      1.058427       3.138441      13.82372 6.318009 15.74114 6.382189 -1.917417      8.980512 
1 1 1 3  16 32 o 18.51979 4.602558 1.405568       2.581598      -3.105852      3.846185      5.916989       3.445201      13.26327 6.134506 23.77631 6.863089 -10.51304      9.205116 
1 1 1 3  16 33 o 146.7111 3.595529 218.3448       10.61969      224.9334       18.71021      211.7562       10.03168      148.3764 6.304982 145.0458 3.458107 3.330627       7.191058 
1 1 1 3  16 34 o 43.56749 7.981869 18.61103       8.954830      14.43825       17.43500      22.79089       4.081390      39.66451 15.37402 47.47048 4.298872 -7.805977      15.96374 
1 1 1 3  16 35 o 95.89000 6.801254 98.19141       13.06385      102.5130       19.58161      93.94070       17.30748      97.72500 10.01873 94.05500 9.200722 3.669998       13.60251 
1 1 1 3  16 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  16 37 o 36.39410 9.336583 15.60719       9.592437      30.05961       16.52818      1.160444       9.734127      48.04388 15.29973 24.74433 10.70538 23.29955       18.67317 
1 1 1 3  16 38 o 43.77806 8.316207 23.61978       7.601687      21.75655       11.97992      25.47593       9.358648      41.17433 13.01682 46.38179 10.35372 -5.207458      16.63241 
1 1 1 3  16 39 o 39.70343 8.956039 20.92767       8.154280      26.82199       12.69546      15.03335       10.23004      44.70020 13.25993 34.70665 12.04229 9.993549       17.91208 
1 1 1 3  16 40 o 35.21801 8.701599 17.27205       7.580434      17.27205       11.20062      17.27205       10.21588      35.05693 12.55681 35.37908 12.04980 -0.3221436     17.40320 
1 1 1 3  16 41 f 21.16824 6.734777 -0.4059428E-01 6.032466      2.510045       8.529759      -2.591516      8.536844      22.57362 9.893754 19.76286 9.140160 2.810764       13.46955 
1 1 1 3  16 42 o 32.31107 7.781422 15.95433       6.079933      18.61811       8.706873      13.29056       8.494337      34.92391 11.10285 29.69823 10.90545 5.225683       15.56284 
1 1 1 3  16 43 o 16.80931 8.027371 0.000000       0.000000      ?              ?             -3.608853      7.502505      ?        ?        16.80931 8.027371 ?              ?        
1 1 1 3  17 0  o 345.6021 4.180104 1195.158       28.88358      1195.158       28.88358      1195.158       28.88358      345.6021 4.180104 345.6021 4.180104 -0.000000      0.000000 
1 1 1 3  17 1  o 27.76460 6.642375 7.019340       4.453328      4.818181       6.211705      9.216957       6.383151      25.08592 9.307549 30.44328 9.479140 -5.357351      13.28475 
1 1 1 3  17 2  o 333.8192 2.893283 1115.103       19.31948      1112.978       27.26122      1116.520       27.37458      333.5542 4.086476 334.0843 4.096957 -0.5300598     5.786565 
1 1 1 3  17 3  o 434.5640 3.485945 1889.441       30.30048      1903.610       43.12346      1875.272       42.57087      436.1928 4.943165 432.9352 4.916541 3.257660       6.971891 
1 1 1 3  17 4  o 619.9846 5.081154 3848.310       63.01678      3832.724       82.18040      3863.188       95.57014      618.8062 6.640237 621.1631 7.692838 -2.356873      10.16231 
1 1 1 3  17 5  o 223.0251 2.617744 497.8291       11.63986      521.4205       15.69929      474.2376       17.19412      228.3171 3.438046 217.7332 3.948439 10.58389       5.235487 
1 1 1 3  17 6  o 553.3732 4.926865 3065.471       54.52245      3096.643       78.00054      3035.008       76.22942      556.1503 7.012541 550.5959 6.922446 5.554382       9.853730 
1 1 1 3  17 7  o 408.9292 3.872283 1674.072       31.66780      1642.191       44.31366      1705.244       45.26299      405.0780 5.469769 412.7805 5.482695 -7.702454      7.744567 
1 1 1 3  17 8  o 419.3362 3.953257 1759.794       33.15554      1726.497       46.34692      1793.800       47.43085      415.3281 5.579555 423.3444 5.601923 -8.016327      7.906514 
1 1 1 3  17 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 10 o 582.3531 4.855055 3395.609       56.52737      3366.563       85.15590      3424.656       74.31659      579.8105 7.343425 584.8958 6.352978 -5.085205      9.710110 
1 1 1 3  17 11 o 71.08264 6.133912 51.02978       8.543928      41.96160       12.61753      60.09797       11.53359      64.69805 9.751087 77.46722 7.444177 -12.76917      12.26782 
1 1 1 3  17 12 o 90.50822 4.175068 82.18040       7.566265      73.82067       10.15920      90.61098       11.21479      85.87500 5.915109 95.14145 5.893747 -9.266449      8.350136 
1 1 1 3  17 13 o 255.3985 2.923399 652.6967       14.94833      645.1162       19.08569      660.2770       23.01051      253.9286 3.758082 256.8684 4.479048 -2.939743      5.846798 
1 1 1 3  17 14 o 335.9799 2.970928 1129.272       19.96417      1138.482       28.21763      1120.771       28.24597      337.2979 4.182896 334.6618 4.220077 2.636017       5.941857 
1 1 1 3  17 15 o 171.9949 2.474236 295.9911       8.508506      293.0865       11.87365      298.8958       12.19954      171.1517 3.468750 172.8380 3.529184 -1.686249      4.948471 
1 1 1 3  17 16 o 140.4319 2.432222 197.4455       6.838685      186.2520       9.280719      208.7099       10.04585      136.4370 3.401101 144.4268 3.477834 -7.989807      4.864444 
1 1 1 3  17 17 o 210.8603 2.568607 444.9786       10.82514      438.7442       16.19521      451.1421       14.36032      209.3819 3.867386 212.3387 3.381464 -2.956894      5.137215 
1 1 1 3  17 18 o 72.55943 3.681010 52.92134       5.342435      58.92902       7.885069      46.90659       7.212039      76.69569 5.140490 68.42318 5.270173 8.272514       7.362021 
1 1 1 3  17 19 o 84.88802 3.382374 72.26208       5.720748      76.65448       7.757547      67.90510       8.409323      87.47203 4.434301 82.30401 5.108696 5.168022       6.764747 
1 1 1 3  17 20 f 83.51456 3.409117 69.96670       5.704454      66.51654       7.608772      73.39561       8.501422      81.46638 4.669885 85.56273 4.967947 -4.096352      6.818234 
1 1 1 3  17 21 o 207.6681 2.508431 431.8722       10.40716      437.8232       13.52434      425.9921       15.81973      209.1158 3.233697 206.2204 3.835637 2.895462       5.016862 
1 1 1 3  17 22 o 314.8965 2.774022 993.9578       17.47042      985.4564       24.43450      1001.751       24.98001      313.6098 3.895685 316.1832 3.950243 -2.573334      5.548043 
1 1 1 3  17 23 o 110.7297 2.389230 122.8455       5.277966      128.3006       7.183701      117.4613       7.736294      113.1839 3.173463 108.2754 3.572508 4.908539       4.778460 
1 1 1 3  17 24 o 343.8842 3.331184 1187.365       22.91842      1170.362       31.73155      1205.076       33.07053      341.3911 4.647391 346.3773 4.773773 -4.986206      6.662368 
1 1 1 3  17 25 f 46.59336 4.109219 21.88408       3.839100      21.16146       4.907445      22.60670       5.904946      45.85112 5.351501 47.33561 6.237319 -1.484493      8.218437 
1 1 1 3  17 26 o 68.14730 3.114025 47.33875       4.321556      36.09562       5.030007      58.58188       7.028550      59.95179 4.195044 76.34282 4.603281 -16.39103      6.228049 
1 1 1 3  17 27 o 110.8429 2.239797 123.2706       4.959163      127.9464       6.867023      118.5948       7.155363      112.9589 3.039612 108.7270 3.290519 4.231888       4.479593 
1 1 1 3  17 28 o 60.85140 3.079458 37.23623       3.745585      37.51252       4.853603      36.96701       5.705162      61.10320 3.971644 60.59961 4.707260 0.5035820      6.158916 
1 1 1 3  17 29 o 18.76431 5.475583 1.095975       3.368688      -0.5904237     4.233708      2.782090       5.241126      16.20392 7.035971 21.32469 8.391850 -5.120770      10.95117 
1 1 1 3  17 30 o 209.6603 2.604738 441.9322       10.89599      436.6896       17.93800      447.1748       12.36957      208.2119 4.307631 211.1086 2.929669 -2.896713      5.209476 
1 1 1 3  17 31 f 89.78165 2.559837 81.61364       4.703412      94.79085       7.863815      68.41519       5.164613      97.02174 4.052605 82.54156 3.128493 14.48018       5.119675 
1 1 1 3  17 32 f 110.8207 2.356017 123.6957       5.251753      129.2924       8.465999      118.0281       6.220206      113.2555 3.737567 108.3859 2.869472 4.869560       4.712035 
1 1 1 3  17 33 o 101.4425 2.004668 103.7173       4.136650      116.1152       6.845770      91.39028       4.646736      107.4473 3.185640 95.43765 2.434435 12.00967       4.009336 
1 1 1 3  17 34 o 50.79798 6.770099 27.99801       6.474541      14.91999       12.55377      41.07603       3.163237      37.63974 13.31245 63.95621 2.472971 -26.31647      13.54020 
1 1 1 3  17 35 o 40.10083 6.875177 17.42792       6.404404      18.90149       12.53251      15.94725       2.630481      40.45282 13.34629 39.74884 3.308879 0.7039871      13.75035 
1 1 1 3  17 36 o 91.53271 5.188543 88.62732       9.301972      73.11222       13.68729      104.2133       12.58919      82.85014 8.260269 100.2153 6.281071 -17.36517      10.37709 
1 1 1 3  17 37 f 34.15743 8.737785 12.84423       7.800055      11.91616       12.14286      13.77939       9.804973      33.69746 12.88557 34.61741 11.80498 -0.9199562     17.47557 
1 1 1 3  17 38 o 51.30543 7.951164 31.95118       8.125941      26.18438       12.53251      37.72506       10.35756      44.62094 13.15790 57.98991 8.930490 -13.36898      15.90233 
1 1 1 3  17 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  17 41 o 23.37076 7.695595 -2.097017      9.110690      -11.98701      12.87257      7.792970       12.90091      19.89594 9.725769 26.84559 11.92888 -6.949656      15.39119 
1 1 1 3  17 42 o 31.24449 8.624585 17.34290       8.430575      26.05686       11.83823      8.621859       12.01534      37.05476 12.94493 25.43422 11.40011 11.62055       17.24917 
1 1 1 3  18 0  o 329.7632 4.117707 1088.182       27.14787      1088.182       27.14787      1088.182       27.14787      329.7632 4.117707 329.7632 4.117707 0.000000       0.000000 
1 1 1 3  18 1  f 546.2948 4.224111 2986.833       46.15564      3013.754       65.77267      2960.620       64.76666      548.7225 5.993254 543.8671 5.954272 4.855408       8.448222 
1 1 1 3  18 2  o 276.9353 2.671285 767.2533       14.79247      777.1716       21.09061      757.3350       20.75764      278.7252 3.783406 275.1454 3.772121 3.579773       5.342570 
1 1 1 3  18 3  o 141.2884 2.569757 199.9251       7.261631      212.3230       10.47800      187.4563       10.05293      145.6873 3.596059 136.8895 3.671916 8.797852       5.139514 
1 1 1 3  18 4  o 245.6390 2.577691 603.8135       12.66712      625.9172       18.27097      581.7098       17.54835      250.1364 3.652202 241.1417 3.638597 8.994736       5.155383 
1 1 1 3  18 5  o 581.6879 4.478252 3387.108       52.09246      3384.983       73.60814      3389.942       73.74983      581.4754 6.329429 581.9004 6.336980 -0.4249878     8.956505 
1 1 1 3  18 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 7  o 326.2326 2.995514 1064.803       19.54619      1072.596       27.71463      1057.010       27.56586      327.4266 4.232191 325.0386 4.240397 2.387939       5.991027 
1 1 1 3  18 8  o 299.5886 2.886916 897.6085       17.30039      910.3606       24.65412      885.5648       24.27156      301.6567 4.086453 297.5204 4.078974 4.136322       5.773831 
1 1 1 3  18 9  o 275.4443 3.111023 759.4603       17.12328      767.9618       22.57836      750.2504       25.75222      277.0610 4.074619 273.8277 4.702268 3.233307       6.222045 
1 1 1 3  18 10 o 333.6401 3.666149 1113.686       24.46284      1108.019       34.86291      1120.062       34.32449      332.7356 5.238831 334.5446 5.130032 -1.808960      7.332297 
1 1 1 3  18 11 o 102.8250 4.455437 106.3386       9.167366      119.7992       13.61644      92.80718       12.27747      109.3804 6.224351 96.26962 6.376607 13.11082       8.910873 
1 1 1 3  18 12 o 154.0947 3.229998 237.8272       9.932493      225.7836       14.31073      249.8001       13.78647      150.1960 4.764017 157.9933 4.362991 -7.797333      6.459996 
1 1 1 3  18 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 14 o 370.9668 3.433011 1377.939       25.53260      1416.195       39.58120      1339.682       32.26998      376.0820 5.262310 365.8516 4.410256 10.23044       6.866023 
1 1 1 3  18 15 o 210.1039 2.657694 441.7905       11.17937      435.8396       14.34615      447.6707       17.15162      208.7087 3.436883 211.4991 4.054773 -2.790390      5.315388 
1 1 1 3  18 16 o 68.09335 3.623440 46.43901       4.940034      45.17797       6.577267      47.70714       7.374983      67.17039 4.895957 69.01632 5.342927 -1.845924      7.246879 
1 1 1 3  18 17 o 60.90211 3.979429 37.27873       4.855729      33.43893       6.485168      41.11854       7.226208      57.75756 5.614129 64.04666 5.641362 -6.289097      7.958857 
1 1 1 3  18 18 o 208.5776 2.382706 435.4853       9.939578      436.8314       13.92816      434.2101       14.18321      208.8939 3.333789 208.2614 3.405145 0.6324921      4.765413 
1 1 1 3  18 19 o 191.4296 2.343159 366.8363       8.969000      367.2614       12.46875      366.4821       12.90091      191.5351 3.254952 191.3241 3.371479 0.2109985      4.686318 
1 1 1 3  18 20 f 51.70163 4.563142 26.98493       4.712621      30.64762       6.936451      23.32223       6.380316      55.23333 6.279227 48.16993 6.622717 7.063393       9.126285 
1 1 1 3  18 21 o 107.5939 2.755160 116.0444       5.940369      120.8619       8.905238      111.2269       7.863815      109.8194 4.054494 105.3684 3.731581 4.450966       5.510319 
1 1 1 3  18 22 f 76.27621 3.836481 58.50395       5.802928      62.40044       7.360813      54.60038       8.976085      78.86517 4.666708 73.68725 6.090663 5.177925       7.672962 
1 1 1 3  18 23 o 184.2886 2.700805 340.7653       9.960832      358.5474       14.40991      323.0540       13.74396      189.0914 3.810303 179.4858 3.828705 9.605545       5.401610 
1 1 1 3  18 24 o 249.7866 3.160652 626.7673       15.79847      624.6419       19.52493      628.8926       24.83123      249.4950 3.912891 250.0783 4.964692 -0.5833435     6.321304 
1 1 1 3  18 25 o 102.8307 3.022325 106.7637       6.365439      91.46112       6.810347      122.0662       10.75430      95.49052 3.565980 110.1709 4.880735 -14.68034      6.044650 
1 1 1 3  18 26 o 68.74424 3.422882 47.57962       4.704828      47.77798       6.209579      47.38125       7.068932      68.91867 4.505006 68.56981 5.154551 0.3488617      6.845763 
1 1 1 3  18 27 o 144.8129 2.433952 210.4810       7.046970      213.0314       9.670367      207.8598       10.25130      145.7204 3.318123 143.9054 3.561818 1.815002       4.867904 
1 1 1 3  18 28 o 66.05656 3.377725 44.01611       4.446952      45.97852       5.904237      42.04661       6.650945      67.57648 4.368559 64.53665 5.152843 3.039825       6.755450 
1 1 1 3  18 29 o 158.6857 2.510471 253.0590       7.977167      248.3832       10.41424      257.6639       12.08619      157.2791 3.310752 160.0923 3.774756 -2.813202      5.020942 
1 1 1 3  18 30 o 129.6733 2.444186 169.3908       6.286093      186.7479       8.522675      152.0338       9.245295      136.3906 3.124363 122.9561 3.759594 13.43456       4.888372 
1 1 1 3  18 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 32 o 49.90034 3.581773 25.41216       3.625148      29.37241       5.827016      21.44484       4.313763      53.76712 5.418754 46.03356 4.685455 7.733566       7.163545 
1 1 1 3  18 33 o 57.74870 2.876642 33.84983       3.366563      38.16430       5.423907      29.53536       3.988584      61.38925 4.417635 54.10815 3.685751 7.281097       5.753283 
1 1 1 3  18 34 o 40.77357 3.277856 17.14453       2.680073      21.20396       4.153653      13.07802       3.387816      45.68823 4.545649 35.85891 4.723815 9.829323       6.555711 
1 1 1 3  18 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  18 36 o 22.53997 7.626431 4.186950       8.345562      11.42733       16.49984      -3.054136      2.487374      35.31570 14.52582 9.764237 4.653000 25.55147       15.25286 
1 1 1 3  18 37 o 60.12772 9.590228 47.37417       11.33523      39.57412       16.38649      55.17422       15.65678      53.51071 14.81614 66.74473 12.18080 -13.23402      19.18046 
1 1 1 3  18 38 o 27.23488 9.087798 -2.778548      12.81589      6.252795       20.27589      -11.80989      15.67095      31.14481 14.27606 23.32496 11.24928 7.819847       18.17560 
1 1 1 3  18 39 o 21.94499 7.547509 -13.27639      10.40007      -11.64695      16.38649      -14.91291      12.80881      23.77573 11.47567 20.11425 9.806562 3.661478       15.09502 
1 1 1 3  18 40 o 40.17282 8.997989 24.38491       8.551013      27.16204       10.43549      21.60778       13.55268      43.96266 11.67094 36.38299 13.69834 7.579674       17.99598 
1 1 1 3  18 41 o 40.76624 7.429721 24.78873       6.532634      34.99752       9.670367      14.58702       8.784801      50.80782 9.868791 30.72466 11.10900 20.08316       14.85944 
1 1 1 3  18 42 o 20.96640 6.685619 3.494084       5.982875      1.909986       8.444746      5.078182       8.480167      20.08918 9.210429 21.84361 9.693193 -1.754423      13.37124 
1 1 1 3  19 0  o 573.7640 6.305078 3295.009       72.33293      3295.009       72.33293      3295.009       72.33293      573.7640 6.305078 573.7640 6.305078 -0.000000      0.000000 
1 1 1 3  19 1  o 607.9662 4.682254 3700.244       56.92410      3691.034       80.33842      3710.162       80.69266      607.1812 6.615688 608.7512 6.627720 -1.570007      9.364508 
1 1 1 3  19 2  o 222.0222 2.939989 493.2950       13.02843      479.6219       19.40449      506.8972       17.39958      218.9454 4.431355 225.0990 3.864872 -6.153595      5.879979 
1 1 1 3  19 3  o 533.6176 4.209735 2850.810       44.95126      2938.658       65.26966      2762.962       61.81950      541.8354 6.023015 525.3998 5.883092 16.43567       8.419471 
1 1 1 3  19 4  o 476.2063 3.857243 2269.879       36.74031      2247.917       51.53987      2291.133       52.36876      473.9405 5.437377 478.4721 5.472498 -4.531647      7.714487 
1 1 1 3  19 5  o 387.4329 3.363745 1501.918       26.06394      1500.501       36.77573      1503.335       36.94576      387.2505 4.748313 387.6152 4.765779 -0.3646851     6.727490 
1 1 1 3  19 6  o 478.0571 3.891054 2286.882       37.20080      2271.297       52.28374      2303.177       52.94260      476.3923 5.487467 479.7219 5.518052 -3.329590      7.782107 
1 1 1 3  19 7  o 201.9323 2.990549 408.0682       12.07910      395.5995       16.80448      420.5370       17.35707      198.8466 4.225487 205.0180 4.233059 -6.171417      5.981098 
1 1 1 3  19 8  o 145.5197 3.194716 211.8979       9.294888      212.8898       13.11344      210.9061       13.18429      145.8607 4.495194 145.1786 4.540713 0.6820831      6.389433 
1 1 1 3  19 9  f 210.2721 2.900328 442.6407       12.23496      464.4610       18.70313      420.8912       15.78431      215.4417 4.340648 205.1025 3.847906 10.33911       5.800656 
1 1 1 3  19 10 o 307.0060 3.129287 942.9493       19.19196      959.2438       25.53260      927.3634       28.66396      309.6153 4.123278 304.3966 4.708324 5.218689       6.258573 
1 1 1 3  19 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  19 12 o 382.9193 3.487687 1467.912       26.70863      1464.370       40.11254      1471.454       35.26673      382.4294 5.244438 383.4092 4.599098 -0.9798279     6.975374 
1 1 1 3  19 13 o 151.2979 3.149335 229.1841       9.493254      233.8599       11.00226      224.4375       15.47967      152.8780 3.598378 149.7179 5.169614 3.160156       6.298669 
1 1 1 3  19 14 o 272.3105 3.500295 742.4575       19.07152      738.2068       24.15112      746.7082       29.52827      271.5636 4.446678 273.0575 5.406970 -1.493866      7.000590 
1 1 1 3  19 15 f 254.0580 3.052382 646.1788       15.51509      650.1462       22.19580      642.2823       21.67154      254.8282 4.355050 253.2877 4.278048 1.540543       6.104764 
1 1 1 3  19 16 o 310.4940 3.315805 966.3282       20.59469      984.0396       29.59912      947.9085       28.64271      313.3935 4.722357 307.5944 4.655921 5.799042       6.631610 
1 1 1 3  19 17 o 171.8633 2.700824 295.8494       9.294888      300.6670       14.19737      290.9612       12.00117      173.2545 4.097258 170.4720 3.519983 2.782516       5.401648 
1 1 1 3  19 18 o 325.2053 3.163458 1059.844       20.58052      1062.678       31.28523      1057.010       26.74405      325.5869 4.804436 324.8235 4.116705 0.7633972      6.326916 
1 1 1 3  19 19 o 76.66061 3.294241 59.15573       5.004504      66.62281       6.894653      51.68864       7.254546      81.53580 4.227992 71.78544 5.052937 9.750359       6.588481 
1 1 1 3  19 20 o 71.33396 3.429151 51.35567       4.894693      43.37142       6.478791      59.33992       7.339560      65.75137 4.926734 76.91655 4.771119 -11.16518      6.858301 
1 1 1 3  19 21 o 85.33056 2.947375 72.97054       5.029299      73.11222       6.886859      72.89968       7.332476      85.39990 4.032124 85.26122 4.300007 0.1386871      5.894750 
1 1 1 3  19 22 o 60.81516 4.188790 37.66838       4.944285      45.78724       6.593561      29.54952       7.367898      67.51157 4.883283 54.11875 6.807159 13.39282       8.377581 
1 1 1 3  19 23 o 21.99112 6.540983 0.7389152      4.892568      0.9054013      7.044137      0.5726416      6.791219      22.31027 9.356781 21.67196 9.142674 0.6383114      13.08197 
1 1 1 3  19 24 o 91.78706 3.711343 84.80168       6.812472      85.51013       9.443663      84.09322       9.819141      92.18469 5.122143 91.38943 5.372143 0.7952576      7.422686 
1 1 1 3  19 25 o 44.33911 6.567418 21.02685       5.807888      13.36140       7.764632      28.69938       8.636027      35.60751 10.31135 53.07071 8.136341 -17.46320      13.13484 
1 1 1 3  19 26 o 104.8644 2.920865 110.5893       6.146527      104.9926       7.927575      116.1861       9.394071      102.2403 3.876933 107.4885 4.369805 -5.248154      5.841730 
1 1 1 3  19 27 o 96.66689 2.933883 94.15324       5.617314      101.3794       7.162447      86.92703       8.657280      100.4593 3.564852 92.87451 4.660741 7.584755       5.867765 
1 1 1 3  19 28 o 99.73316 2.637969 100.0334       5.237584      106.7637       7.112856      93.37395       7.693786      103.1087 3.449202 96.35760 3.992309 6.751114       5.275939 
1 1 1 3  19 29 o 63.45462 3.549681 40.67930       4.512129      39.20572       5.993503      42.14579       6.746586      62.33326 4.807628 64.57598 5.223758 -2.242722      7.099361 
1 1 1 3  19 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  19 31 o 105.3400 2.657982 111.7937       5.605271      109.7392       7.374983      113.9190       8.444746      104.4027 3.531990 106.2774 3.972974 -1.874702      5.315964 
1 1 1 3  19 32 o 66.83279 3.191668 45.23465       4.279757      46.36108       6.948495      44.10821       4.998836      67.54152 5.143869 66.12406 3.779892 1.417458       6.383336 
1 1 1 3  19 33 o 88.23463 2.598710 79.55913       4.718289      96.77451       7.927575      62.37210       5.119273      97.79415 4.053195 78.67512 3.253425 19.11903       5.197419 
1 1 1 3  19 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  19 35 o 20.33659 5.136600 3.815721       2.658819      3.478498       4.000627      4.152236       3.502585      20.10702 7.467688 20.56617 7.054947 -0.4591484     10.27320 
1 1 1 3  19 36 o 83.41164 4.035639 74.03321       7.403321      93.86986       14.36740      54.23906       3.612396      93.45680 7.686654 73.36646 2.461885 20.09034       8.071279 
1 1 1 3  19 37 o 60.07686 5.774366 40.08420       6.837267      45.41885       13.29764      34.74956       3.185908      61.51595 11.22467 58.63777 2.716600 2.878181       11.54873 
1 1 1 3  19 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  19 39 o 46.52755 7.459107 29.97460       7.750463      12.78047       11.00226      47.16164       10.92433      30.44117 12.10176 62.61393 8.723559 -32.17276      14.91821 
1 1 1 3  19 40 o 34.87289 8.111258 18.54018       6.619773      22.40125       9.960832      14.67204       8.721042      38.22053 11.82936 31.52524 11.10119 6.695293       16.22252 
1 1 1 3  19 41 o 32.03270 7.585831 15.99684       6.364022      9.627860       9.542846      22.35874       8.423491      25.67538 10.83496 38.39001 10.61994 -12.71463      15.17166 
1 1 1 3  20 0  f 490.3638 5.654262 2406.611       55.43635      2406.611       55.43635      2406.611       55.43635      490.3638 5.654262 490.3638 5.654262 0.000000       0.000000 
1 1 1 3  20 1  o 175.8038 3.266351 309.6643       11.48400      288.1982       15.78431      331.0595       16.69112      169.7118 4.650328 181.8959 4.588098 -12.18414      6.532701 
1 1 1 3  20 2  o 228.0825 3.015579 520.4996       13.75813      516.3905       19.28406      524.6086       19.62411      227.1827 4.244174 228.9822 4.285075 -1.799469      6.031158 
1 1 1 3  20 3  o 186.0347 3.127411 346.6454       11.63278      367.5448       16.69821      325.6753       16.19521      191.6596 4.356215 180.4098 4.488450 11.24977       6.254821 
1 1 1 3  20 4  o 205.5320 2.965540 423.0165       12.19245      398.8584       16.83990      447.1748       17.63337      199.6577 4.217193 211.4064 4.170491 -11.74867      5.931080 
1 1 1 3  20 5  o 160.4250 3.081235 257.6639       9.882903      269.4951       14.17612      245.8328       13.77939      164.1110 4.319066 156.7390 4.395647 7.371933       6.162470 
1 1 1 3  20 6  o 191.5157 2.830487 367.0489       10.83931      355.6428       15.17504      378.5258       15.48676      188.5298 4.024573 194.5017 3.981136 -5.971924      5.660975 
1 1 1 3  20 7  o 173.4792 2.768581 301.1628       9.606606      302.2964       13.57394      299.9585       13.59519      173.8162 3.904682 173.1422 3.926019 0.6739807      5.537162 
1 1 1 3  20 8  o 174.5432 2.690567 305.1302       9.394071      325.3210       13.63770      285.0101       12.92216      180.3142 3.781647 168.7722 3.828284 11.54201       5.381135 
1 1 1 3  20 9  o 195.3484 2.677314 381.8555       10.45675      384.8310       14.77830      378.8800       14.80664      196.1101 3.767859 194.5867 3.804639 1.523407       5.354628 
1 1 1 3  20 10 o 144.1551 3.230622 208.0723       9.323226      215.3693       13.76522      200.7752       12.58210      146.6798 4.692268 141.6304 4.441880 5.049408       6.461244 
1 1 1 3  20 11 o 319.7549 2.924110 1023.713       18.70313      1043.549       26.80073      1003.168       26.09228      322.9087 4.149894 316.6011 4.120687 6.307556       5.848220 
1 1 1 3  20 12 o 173.3308 2.545143 300.7378       8.820225      310.0185       12.57502      291.3862       12.37665      176.0173 3.572098 170.6443 3.626447 5.372986       5.090285 
1 1 1 3  20 13 o 391.2960 3.297874 1533.090       25.80890      1524.588       36.29399      1541.591       36.70489      390.2125 4.650541 392.3795 4.677218 -2.166992      6.595749 
1 1 1 3  20 14 o 280.5743 2.732597 787.7984       15.33798      780.0054       21.42358      796.2998       21.94784      279.1264 3.837613 282.0223 3.891153 -2.895874      5.465194 
1 1 1 3  20 15 o 254.7191 2.624693 649.7211       13.36848      656.9474       18.88733      642.4241       18.92983      256.1449 3.686844 253.2933 3.736741 2.851593       5.249386 
1 1 1 3  20 16 o 200.3068 2.477476 401.8339       9.932493      388.8691       13.63061      414.7986       14.44533      197.0779 3.458179 203.5358 3.548598 -6.457886      4.954953 
1 1 1 3  20 17 o 145.6142 2.777345 212.5355       8.048012      221.8871       10.31506      203.1131       12.36248      148.8595 3.464695 142.3688 4.341712 6.490753       5.554689 
1 1 1 3  20 18 o 156.0418 2.962129 244.1325       9.245295      233.5765       12.88674      254.6884       13.25513      152.6642 4.220615 159.4195 4.157312 -6.755295      5.924259 
1 1 1 3  20 19 o 130.9556 3.703426 173.0748       9.719957      198.0123       14.68620      148.0664       12.74505      140.4559 5.228047 121.4553 5.246805 19.00062       7.406851 
1 1 1 3  20 20 o 228.0357 3.588367 522.3415       16.37940      543.3826       23.95275      501.3005       22.34457      232.6168 5.148543 223.4545 4.999803 9.162308       7.176735 
1 1 1 3  20 21 o 319.4976 3.736351 1026.547       23.99526      1069.762       38.30599      984.0396       28.90483      325.9607 5.875861 313.0346 4.616875 12.92606       7.472702 
1 1 1 3  20 22 o 114.4411 2.740248 131.4178       6.273340      131.7012       8.919409      131.1344       8.820225      114.5628 3.892804 114.3195 3.857707 0.2432251      5.480495 
1 1 1 3  20 23 o 215.2952 2.619386 465.3112       11.30689      486.2105       17.14453      444.3410       14.74997      220.1042 3.894639 210.4862 3.503785 9.618057       5.238771 
1 1 1 3  20 24 o 64.02944 3.691867 41.50111       4.735292      36.04602       6.269798      46.94910       7.098687      59.80338 5.242010 68.25551 5.200084 -8.452129      7.383735 
1 1 1 3  20 25 o 169.0352 2.409230 286.7104       8.147196      289.2609       11.36357      284.1600       11.66820      169.7972 3.346217 168.2731 3.467042 1.524078       4.818459 
1 1 1 3  20 26 o 44.40541 5.789075 20.51676       5.025757      19.87207       7.339560      21.16854       6.866314      43.25629 8.789578 45.55452 7.536370 -2.298229      11.57815 
1 1 1 3  20 27 o 98.08810 3.326065 96.91621       6.525549      96.13691       9.096521      97.76635       9.358648      97.68348 4.656121 98.49274 4.750933 -0.8092575     6.652129 
1 1 1 3  20 28 o 67.88106 4.469041 47.03411       6.044511      40.33924       8.310139      53.72898       8.777717      62.97855 6.597595 72.78357 6.030014 -9.805016      8.938083 
1 1 1 3  20 29 o 142.8957 3.082829 206.0886       8.820225      202.9006       11.49817      209.2767       13.37557      141.8792 4.052099 143.9121 4.647132 -2.032852      6.165658 
1 1 1 3  20 30 o 66.04765 4.566751 44.80249       5.913447      50.71806       7.559181      38.88692       9.096521      70.65988 5.348990 61.43541 7.403321 9.224476       9.133503 
1 1 1 3  20 31 f 74.74798 3.676367 56.83908       5.450828      61.18898       7.112856      52.48211       8.260548      77.74677 4.574375 71.74919 5.756544 5.997574       7.352735 
1 1 1 3  20 32 o 41.95791 5.584112 18.93692       4.534091      17.26497       5.848269      20.60886       6.930075      40.16814 7.557275 43.74768 8.222945 -3.579540      11.16822 
1 1 1 3  20 33 o 105.9672 2.568498 113.7774       5.508212      122.9164       9.075267      104.6383       6.243586      110.0568 4.122992 101.8776 3.064258 8.179214       5.136997 
1 1 1 3  20 34 f 20.38925 5.205631 2.381107       3.241167      8.515590       5.195077      -3.749835      3.878065      28.01237 8.517562 12.76613 5.987112 15.24624       10.41126 
1 1 1 3  20 35 o 71.79632 2.521714 52.61671       3.672614      60.57971       5.912738      44.66080       4.357687      77.17786 3.830592 66.41477 3.280661 10.76309       5.043428 
1 1 1 3  20 36 o 59.69685 2.535182 36.44984       2.986124      32.48251       4.532674      40.41718       3.889400      56.28538 4.026511 63.10832 3.081527 -6.822941      5.070365 
1 1 1 3  20 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  20 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  20 39 o 44.90495 8.038129 28.70647       7.318307      34.31032       10.67637      23.10261       10.00334      50.13541 10.94983 39.67449 11.77062 10.46092       16.07626 
1 1 1 3  20 40 o 71.01074 5.709324 62.82551       7.870899      50.95185       11.42733      74.67081       10.83223      62.22332 9.182511 79.79816 6.787267 -17.57484      11.41865 
1 1 1 3  20 41 o 38.91565 7.614277 25.26339       6.396611      20.84265       9.507423      29.69122       8.565183      33.23009 11.60156 44.60122 9.864717 -11.37113      15.22855 
1 1 1 3  21 0  o 263.3720 4.034321 694.3536       21.23938      694.3536       21.23938      694.3536       21.23938      263.3720 4.034321 263.3720 4.034321 0.000000       0.000000 
1 1 1 3  21 1  o 407.7604 3.476232 1664.153       28.35932      1622.355       39.27657      1706.660       40.91309      402.5994 4.877872 412.9215 4.954100 -10.32211      6.952463 
1 1 1 3  21 2  o 595.5607 4.624163 3552.886       55.06796      3570.597       78.28393      3535.175       77.50462      597.0427 6.555974 594.0787 6.523094 2.963928       9.248326 
1 1 1 3  21 3  o 173.2498 2.794055 300.3127       9.677451      297.6914       13.72271      303.0048       13.65895      172.4828 3.977993 174.0168 3.924608 -1.533936      5.588110 
1 1 1 3  21 4  o 56.77007 6.178923 33.86399       6.537593      22.28081       9.245295      45.44718       9.245295      46.19101 10.27647 67.34913 6.863708 -21.15812      12.35785 
1 1 1 3  21 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  21 6  o 374.7242 3.257871 1405.568       24.42033      1421.863       34.82040      1389.274       34.23948      376.8954 4.619372 372.5530 4.595248 4.342377       6.515743 
1 1 1 3  21 7  o 272.3820 2.767005 742.4575       15.07585      748.1251       21.38816      736.7899       21.24647      273.4217 3.911204 271.3423 3.915069 2.079437       5.534011 
1 1 1 3  21 8  o 156.5301 2.676927 245.3369       8.380984      257.6639       12.05077      233.0098       11.64695      160.4659 3.754931 152.5943 3.816313 7.871613       5.353854 
1 1 1 3  21 9  o 273.0066 2.748252 745.9998       15.00501      765.8364       21.52276      726.1631       20.92058      276.6368 3.890077 269.3764 3.883150 7.260376       5.496504 
1 1 1 3  21 10 f 162.4109 2.645177 264.1817       8.593520      279.3425       12.46167      249.0208       11.83823      167.0753 3.729357 157.7464 3.752297 9.328842       5.290353 
1 1 1 3  21 11 o 171.3211 2.583149 293.7950       8.848563      301.3754       12.54668      286.2145       12.48292      173.5331 3.615068 169.1091 3.690789 4.423981       5.166298 
1 1 1 3  21 12 o 183.1838 2.958961 336.0187       10.83931      334.1059       15.16795      337.9315       15.49384      182.6643 4.151866 183.7032 4.217084 -1.038956      5.917921 
1 1 1 3  21 13 o 280.5948 2.764146 788.5069       15.50801      801.2590       22.08953      775.7547       21.78489      282.8644 3.904614 278.3253 3.913567 4.539093       5.528293 
1 1 1 3  21 14 o 111.4912 2.933349 124.7584       6.545386      113.7774       8.869816      135.7394       9.627860      106.5744 4.161326 116.4079 4.135397 -9.833511      5.866698 
1 1 1 3  21 15 o 71.88623 4.245819 51.95785       6.113231      47.91968       8.203872      55.98895       9.068183      69.09386 5.936759 74.67860 6.071474 -5.584740      8.491637 
1 1 1 3  21 16 o 78.55582 3.903502 62.03912       6.108980      67.22499       8.522675      56.85326       8.756464      81.86035 5.205618 75.25127 5.818150 6.609077       7.807005 
1 1 1 3  21 17 o 273.7552 3.093131 751.6674       16.93200      763.0026       24.05194      739.6237       23.84649      275.8874 4.359014 271.6231 4.389627 4.264252       6.186261 
1 1 1 3  21 18 o 79.66144 3.794040 64.22115       5.958079      75.45012       8.310139      52.97094       8.543928      86.72044 4.791338 72.60245 5.884050 14.11799       7.588081 
1 1 1 3  21 19 f 146.8414 2.526584 216.1487       7.424574      207.2930       10.12378      225.0751       10.86765      143.8253 3.519471 149.8575 3.625994 -6.032272      5.053168 
1 1 1 3  21 20 o 158.5408 2.733162 252.2088       8.628942      263.1898       11.24313      241.2987       13.09927      162.0296 3.469468 155.0520 4.224156 6.977661       5.466324 
1 1 1 3  21 21 o 86.07404 3.552360 74.52913       6.102604      76.15857       7.814223      72.89968       9.372816      87.06570 4.487544 85.08237 5.508084 1.983337       7.104720 
1 1 1 3  21 22 o 100.6228 3.549219 102.0171       7.141194      109.8809       10.35756      94.15324       9.833311      104.5145 4.955088 96.73108 5.082808 7.783371       7.098439 
1 1 1 3  21 23 o 78.49216 4.129366 62.30125       6.462497      66.84951       9.018591      57.75299       9.259464      81.39961 5.539701 75.58472 6.125223 5.814896       8.258732 
1 1 1 3  21 24 o 163.9753 2.728028 270.0618       8.940661      267.1572       13.60936      272.9665       11.59027      163.0327 4.173813 164.9180 3.513949 -1.885361      5.456057 
1 1 1 3  21 25 o 17.68113 5.732372 -4.580141      4.620522      -2.915988      6.283259      -6.245002      6.775633      18.21959 8.202084 17.14267 8.010378 1.076914       11.46474 
1 1 1 3  21 26 o 258.9689 3.014423 674.8712       15.61428      666.5823       21.56527      683.1600       22.59253      257.4062 4.188958 260.5315 4.335853 -3.125336      6.028846 
1 1 1 3  21 27 o 34.53197 7.183662 12.53251       5.360146      13.88566       6.947078      11.18645       8.161365      35.98013 9.509113 33.08381 10.77018 2.896320       14.36732 
1 1 1 3  21 28 o 25.60344 7.729358 0.4658070      7.049096      3.098768       10.12378      -2.167862      9.812057      27.44126 11.34424 23.76563 10.50144 3.675625       15.45872 
1 1 1 3  21 29 o 99.67005 4.091323 101.3794       8.147196      93.94070       11.32814      108.7474       11.71779      95.98780 5.900825 103.3523 5.668859 -7.364502      8.182646 
1 1 1 3  21 30 o 129.9907 3.939668 172.0829       10.31506      180.0884       17.07369      164.0774       11.57610      132.6375 6.436221 127.3438 4.545216 5.293686       7.879335 
1 1 1 3  21 31 o 99.12626 3.190605 99.75002       6.371107      92.87803       7.736294      106.6220       10.12378      95.84309 4.035916 102.4094 4.942795 -6.566345      6.381210 
1 1 1 3  21 32 o 25.93555 6.388624 5.914155       4.340684      9.472000       5.711539      2.359853       6.538302      29.59103 8.917639 22.28006 9.150616 7.310970       12.77725 
1 1 1 3  21 33 o 86.28850 2.983804 75.87518       5.124940      80.62181       6.881900      71.05771       7.594603      89.13355 3.860444 83.44344 4.550749 5.690117       5.967608 
1 1 1 3  21 34 o 41.55891 4.697703 18.54018       3.640734      14.99793       5.793010      22.08244       4.410821      36.72744 8.103883 46.39039 4.754025 -9.662949      9.395407 
1 1 1 3  21 35 o 45.24971 3.882801 21.41650       3.511796      21.61486       5.635026      21.21105       4.194035      45.17546 6.236822 45.32397 4.626729 -0.1485100     7.765602 
1 1 1 3  21 36 o 41.86266 4.514636 19.22029       3.578390      16.20229       5.450828      22.23830       4.636817      37.71540 7.492456 46.00991 5.038933 -8.294506      9.029272 
1 1 1 3  21 37 o 44.29512 3.363855 20.84974       3.008086      25.38383       4.745918      16.31564       3.695993      49.13816 4.829158 39.45208 4.684155 9.686077       6.727709 
1 1 1 3  21 38 o 17.12191 5.540168 -1.568512      4.975457      -4.159320      9.599521      1.022296       2.626231      20.14700 9.443415 14.09682 5.796186 6.050184       11.08034 
1 1 1 3  21 39 o 30.95519 6.171251 12.12161       5.447286      13.02134       10.61969      11.22188       2.425739      29.15879 11.77384 32.75158 3.703239 -3.592789      12.34250 
1 1 1 3  21 40 o 23.34917 6.963038 3.769672       6.427783      -6.867023      9.351563      14.40991       8.820225      17.50422 8.495223 29.19412 11.03480 -11.68990      13.92608 
1 1 1 3  22 0  o 471.9211 5.413453 2229.498       51.07937      2229.498       51.07937      2229.498       51.07937      471.9211 5.413453 471.9211 5.413453 -0.000000      0.000000 
1 1 1 3  22 1  o 183.0536 2.889080 335.3811       10.56302      328.6508       15.82681      342.1114       13.99192      181.2065 4.367065 184.9007 3.783633 -3.694122      5.778160 
1 1 1 3  22 2  o 129.7703 2.942909 168.6115       7.644195      161.6687       10.42841      175.5544       11.17937      127.0989 4.102479 132.4416 4.220489 -5.342758      5.885819 
1 1 1 3  22 3  o 224.4380 2.643169 504.1343       11.86657      516.7447       17.05243      491.5238       16.50693      227.2449 3.751994 221.6311 3.723965 5.613876       5.286338 
1 1 1 3  22 4  o 277.4022 2.790513 770.0871       15.47967      769.3787       21.87699      770.7955       21.91241      277.2747 3.945004 277.5298 3.947760 -0.2550659     5.581027 
1 1 1 3  22 5  o 284.7549 2.823052 811.8857       16.08185      825.3463       23.03885      797.7167       22.43667      287.1777 4.011253 282.3320 3.973454 4.845734       5.646104 
1 1 1 3  22 6  o 237.4592 2.680665 564.6361       12.73796      593.3992       18.50476      535.8729       17.50584      243.5110 3.799574 231.4074 3.782472 12.10355       5.361330 
1 1 1 3  22 7  o 390.0493 3.334111 1523.171       26.01435      1517.504       36.59862      1528.839       36.96701      389.3251 4.700264 390.7736 4.729979 -1.448486      6.668222 
1 1 1 3  22 8  o 34.99814 7.184727 12.58919       5.339601      11.18645       7.212039      13.98484       7.870899      33.22955 10.02213 36.76673 10.29748 -3.537178      14.36945 
1 1 1 3  22 9  o 238.3978 2.881695 569.0285       13.75813      560.3145       17.77505      577.7424       20.99851      236.5931 3.756462 240.2025 4.371002 -3.609436      5.763390 
1 1 1 3  22 10 o 387.2560 3.578968 1503.335       27.70046      1485.623       41.33108      1520.338       36.88908      384.9674 5.368127 389.5446 4.734898 -4.577209      7.157936 
1 1 1 3  22 11 o 392.4431 3.853685 1545.133       30.25797      1501.209       41.69239      1588.349       43.86733      386.9202 5.387723 397.9660 5.511442 -11.04581      7.707370 
1 1 1 3  22 12 o 108.5357 3.890760 118.8074       8.274716      136.9437       10.83223      100.7418       12.52543      116.8973 4.633225 100.1742 6.251822 16.72305       7.781520 
1 1 1 3  22 13 o 329.7536 3.462817 1090.307       22.84048      1116.520       32.80132      1064.095       31.79531      333.7151 4.914569 325.7921 4.879694 7.922943       6.925633 
1 1 1 3  22 14 o 216.8306 2.953866 471.3330       12.81589      449.0168       17.54127      493.7200       18.69604      211.6904 4.143142 221.9709 4.211373 -10.28047      5.907732 
1 1 1 3  22 15 o 121.2281 2.796731 147.2871       6.778466      147.6413       9.500339      146.8620       9.677451      121.3911 3.913113 121.0652 3.996792 0.3258209      5.593461 
1 1 1 3  22 16 f 41.70206 6.097404 18.20721       4.920906      18.44808       6.742336      17.95925       7.169532      42.04139 8.314510 41.36274 8.920889 0.6786499      12.19481 
1 1 1 3  22 17 o 205.9076 2.529951 424.9294       10.41424      438.8150       14.87040      411.0437       14.59411      209.2756 3.552828 202.5396 3.602779 6.736023       5.059901 
1 1 1 3  22 18 o 66.12468 3.984718 44.08695       5.241835      48.37309       7.268716      39.80082       7.552096      69.37305 5.238862 62.87630 6.005518 6.496742       7.969437 
1 1 1 3  22 19 o 129.8218 2.979989 169.3908       7.722124      181.0803       10.89599      157.7014       10.94558      134.3251 4.055829 125.3186 4.367103 9.006500       5.959978 
1 1 1 3  22 20 o 160.2298 2.531096 257.6639       8.118857      244.9826       11.05893      270.3452       11.88782      156.2900 3.537953 164.1696 3.620591 -7.879639      5.062192 
1 1 1 3  22 21 o 57.28374 4.376667 33.13429       5.016547      32.39750       6.835143      33.87108       7.346645      56.66051 6.031663 57.90696 6.343491 -1.246445      8.753333 
1 1 1 3  22 22 o 158.7083 2.888783 253.1298       9.174451      251.9255       12.39082      254.3342       13.52434      158.3632 3.912154 159.0535 4.251508 -0.6903534     5.777566 
1 1 1 3  22 23 o 78.53288 5.448852 64.67457       9.301972      43.13763       7.438744      86.21858       17.04535      65.36890 5.689819 91.69686 9.294402 -26.32796      10.89770 
1 1 1 3  22 24 o 26.20678 6.867942 -0.6134484E-01 6.204620      10.40007       6.660863      -10.52759      10.47092      31.60386 9.651583 20.80970 9.773508 10.79416       13.73588 
1 1 1 3  22 25 f 102.1224 4.443102 105.8427       9.039845      113.1397       12.43333      98.54564       13.12761      105.7329 5.879593 98.51189 6.662958 7.221016       8.886204 
1 1 1 3  22 26 o 101.1503 3.879148 103.5757       7.842561      106.3386       10.96683      100.7418       11.21479      102.5470 5.347226 99.75372 5.621240 2.793236       7.758296 
1 1 1 3  22 27 o 45.86742 7.651486 23.06011       6.945662      25.49718       10.60552      20.62303       8.969000      48.23039 11.19979 43.50444 10.42812 4.725945       15.30297 
1 1 1 3  22 28 o 86.58894 3.999460 76.44194       6.893235      81.33026       9.252379      71.48279       10.21588      89.50878 5.168420 83.66909 6.104928 5.839691       7.998919 
1 1 1 3  22 29 o 133.4884 2.791713 179.7342       7.445828      182.9931       10.27255      176.5462       10.78972      134.7245 3.812429 132.2522 4.079220 2.472260       5.583426 
1 1 1 3  22 30 f 114.7412 2.835423 133.2598       6.483750      143.3906       9.004422      123.1289       9.330310      119.1777 3.777730 110.3048 4.229332 8.872902       5.670846 
1 1 1 3  22 31 o 36.10675 6.930601 14.60119       5.424615      21.35982       8.168448      7.849646       7.134109      43.92364 9.564599 28.28986 10.03252 15.63379       13.86120 
1 1 1 3  22 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  22 33 o 63.49032 4.126560 41.85533       5.242543      41.37358       6.509255      42.33708       8.218040      63.38953 5.134329 63.59110 6.461628 -0.2015686     8.253119 
1 1 1 3  22 34 o 39.79614 5.391637 17.38541       4.185533      18.29222       5.442327      16.47150       6.361189      41.54377 6.550112 38.04852 8.565922 3.495247       10.78327 
1 1 1 3  22 35 o 36.82561 5.470949 15.04752       3.963080      11.97283       6.205329      18.12220       4.931533      32.13569 9.189604 41.51552 5.939385 -9.379826      10.94190 
1 1 1 3  22 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  22 37 o 43.61929 3.737972 20.44592       3.273047      21.48026       5.127774      19.41866       4.069347      44.43206 5.770354 42.80653 4.753186 1.625534       7.475945 
1 1 1 3  22 38 o 16.50770 4.699911 1.983665       2.440616      3.785258       3.778882      0.1822846      3.088850      19.20374 7.232708 13.81166 6.003715 5.392075       9.399822 
1 1 1 3  22 39 o 28.79878 5.860878 10.08127       5.207120      9.082352       10.06001      11.08019       2.706994      25.42830 10.94062 32.16927 4.207423 -6.740969      11.72176 
1 1 1 3  23 0  f 157.9062 3.782483 249.8709       11.93033      249.8709       11.93033      249.8709       11.93033      157.9062 3.782483 157.9062 3.782483 0.000000       0.000000 
1 1 1 3  23 1  o 331.3528 3.046251 1099.517       20.19088      1080.389       28.14679      1117.937       28.95442      328.5248 4.283815 334.1809 4.332148 -5.656128      6.092502 
1 1 1 3  23 2  o 391.8310 3.369416 1537.340       26.40400      1522.463       37.01661      1552.218       37.66838      389.9370 4.746485 393.7250 4.783590 -3.788055      6.738832 
1 1 1 3  23 3  o 45.96604 6.303062 21.90533       5.658404      27.11245       8.125941      16.69821       7.870899      51.97511 7.817148 39.95698 9.889719 12.01813       12.60612 
1 1 1 3  23 4  o 221.0407 2.872323 489.1151       12.71671      479.6927       16.46442      498.6084       19.38324      218.9202 3.760370 223.1613 4.342877 -4.241043      5.744647 
1 1 1 3  23 5  o 225.7625 2.678072 510.2978       12.09327      496.1996       16.76197      524.3961       17.44208      222.6447 3.764287 228.8804 3.810305 -6.235657      5.356144 
1 1 1 3  23 6  o 187.8979 2.625661 353.4466       9.868733      361.0979       14.01318      345.8661       13.89274      189.9237 3.689161 185.8722 3.737175 4.051422       5.251322 
1 1 1 3  23 7  o 83.61250 4.139672 70.12255       6.922991      70.37760       9.592437      69.86752       9.982086      83.77006 5.725457 83.45495 5.980524 0.3151093      8.279344 
1 1 1 3  23 8  o 115.4331 3.408166 133.5432       7.863815      134.3224       11.02351      132.7639       11.22896      115.7730 4.760831 115.0932 4.878205 0.6798019      6.816333 
1 1 1 3  23 9  o 195.0513 3.472082 381.6430       13.46058      359.3267       20.63012      404.0301       17.28622      189.2815 5.449587 200.8212 4.303885 -11.53970      6.944164 
1 1 1 3  23 10 o 251.6577 3.543446 635.4104       17.94508      667.6449       28.74897      603.1050       21.48734      257.9758 5.572029 245.3396 4.379102 12.63623       7.086892 
1 1 1 3  23 11 o 195.0361 3.148144 381.2888       12.24205      373.1416       19.46825      389.3651       14.84915      192.9012 5.046173 197.1711 3.765550 -4.269867      6.296288 
1 1 1 3  23 12 o 228.7169 2.643151 523.9709       12.09327      524.8210       17.02410      523.1208       17.17287      228.9044 3.718604 228.5294 3.757256 0.3749695      5.286302 
1 1 1 3  23 13 o 148.9516 2.678364 222.3121       7.977167      225.3585       11.22188      219.1950       11.34231      149.9875 3.740937 147.9157 3.834047 2.071838       5.356727 
1 1 1 3  23 14 o 57.59456 4.538246 33.38933       5.229791      31.37733       7.176617      35.39425       7.608772      55.86029 6.423720 59.32883 6.412373 -3.468548      9.076492 
1 1 1 3  23 15 f 75.32980 3.637599 56.97369       5.479875      57.42001       7.785885      56.52028       7.715039      75.62704 5.147554 75.03255 5.141128 0.5944824      7.275198 
1 1 1 3  23 16 o 83.47502 3.493844 70.33509       5.791594      80.40928       8.225125      60.26799       8.154280      89.50562 4.594753 77.44441 5.264602 12.06121       6.987689 
1 1 1 3  23 17 o 92.95139 3.146142 86.78535       5.841893      90.18591       8.069265      83.38477       8.444746      94.78922 4.256426 91.11357 4.634186 3.675644       6.292285 
1 1 1 3  23 18 o 89.95114 3.441838 81.47195       6.203912      87.70633       9.195704      75.23758       8.324308      93.39221 4.923164 86.51006 4.811179 6.882149       6.883676 
1 1 1 3  23 19 o 80.41466 3.986336 65.27675       6.436993      59.43911       8.366816      71.12856       9.783719      76.82783 5.445173 84.00150 5.823538 -7.173668      7.972672 
1 1 1 3  23 20 f 27.61191 7.110083 6.383151       5.169573      3.721497       6.894653      9.046929       7.700871      24.50831 9.631253 30.71551 10.46194 -6.207199      14.22017 
1 1 1 3  23 21 o 70.16266 4.273255 49.78999       5.975082      51.90826       7.906322      47.66463       8.961915      71.72218 5.511769 68.60314 6.531709 3.119034       8.546510 
1 1 1 3  23 22 o 66.33875 4.118653 44.45535       5.465705      43.96651       7.339560      44.95126       8.104689      66.00112 5.560179 66.67636 6.077632 -0.6752396     8.237306 
1 1 1 3  23 23 o 144.6609 3.003748 211.1186       8.650196      231.8054       12.13578      190.4318       12.33415      151.8185 3.996805 137.5033 4.485036 14.31520       6.007495 
1 1 1 3  23 24 o 20.33461 6.220610 -1.659903      4.850060      1.992166       6.430617      -5.311971      7.261631      22.22467 9.092511 18.44455 8.491773 3.780128       12.44122 
1 1 1 3  23 25 o 245.0459 2.953709 604.5928       14.48784      598.2875       18.73146      610.8979       22.10369      243.8967 3.840040 246.1950 4.489063 -2.298279      5.907419 
1 1 1 3  23 26 o 61.44805 5.959831 39.05695       7.367898      37.17955       8.621859      40.93435       11.94450      60.24941 7.155140 62.64670 9.533221 -2.397289      11.91966 
1 1 1 3  23 27 o 201.2541 3.346320 410.9729       13.45350      447.1039       19.34782      374.7710       18.68896      210.1954 4.602340 192.3128 4.859001 17.88269       6.692639 
1 1 1 3  23 28 o 37.18144 8.051020 15.03335       6.552470      13.65187       8.997337      16.42191       9.528677      35.66900 11.28111 38.69388 11.48966 -3.024883      16.10204 
1 1 1 3  23 29 o 50.86501 6.076466 27.51627       6.016172      26.43942       9.018591      28.58603       7.962997      49.25991 9.492845 52.47012 7.588127 -3.210209      12.15293 
1 1 1 3  23 30 o 57.11158 4.669309 33.72939       5.322598      35.36591       7.346645      32.08578       7.700871      58.59219 6.269304 55.63098 6.921388 2.961212       9.338618 
1 1 1 3  23 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  23 32 o 62.54978 4.090209 40.56595       5.129191      38.30599       6.790511      42.83300       7.686701      60.88011 5.576953 64.21945 5.984715 -3.339344      8.180417 
1 1 1 3  23 33 o 74.68623 3.999440 58.15680       5.991377      61.82658       9.054014      54.48702       7.849646      76.92220 5.885176 72.45026 5.417266 4.471947       7.998879 
1 1 1 3  23 34 o 72.93274 3.869767 55.52845       5.666197      53.23307       6.915907      57.83092       8.976085      71.76337 4.818549 74.10210 6.056565 -2.338730      7.739534 
1 1 1 3  23 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  23 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  23 37 o 66.85626 2.883391 46.92785       3.853269      47.35291       6.130942      46.50277       4.670114      66.73112 4.593765 66.98141 3.486128 -0.2502823     5.766781 
1 1 1 3  23 38 o 16.26396 4.732282 0.5328975      2.813262      -2.974081      4.348477      4.039592       3.570597      13.41294 6.299323 19.11498 7.063745 -5.702035      9.464563 
1 1 1 3  23 39 o 24.27060 4.076693 6.900320       2.388900      1.470746       3.503294      12.33415       3.249668      15.33397 6.521972 33.20723 4.893014 -17.87325      8.153386 
1 1 1 3  24 0  f 19.13496 11.52278 3.900735       7.814223      3.900735       7.814223      3.900735       7.814223      19.13496 11.52278 19.13496 11.52278 0.000000       0.000000 
1 1 1 3  24 1  o 218.7083 2.675959 478.9843       11.70362      474.7335       16.55652      483.2350       16.54943      217.7365 3.801963 219.6801 3.766711 -1.943649      5.351919 
1 1 1 3  24 2  o 232.5449 2.700166 541.6114       12.56085      527.3715       17.44208      555.8513       18.07969      229.4889 3.800203 235.6008 3.836932 -6.111984      5.400332 
1 1 1 3  24 3  o 105.4574 3.629168 111.5812       7.651280      117.8155       10.93141      105.3468       10.70471      108.4105 5.041675 102.5044 5.221586 5.906158       7.258336 
1 1 1 3  24 4  o 214.4476 3.036560 460.8479       13.02843      477.0006       18.84482      444.6952       17.99467      218.2048 4.318149 210.6904 4.270407 7.514420       6.073120 
1 1 1 3  24 5  o 94.52821 3.838567 89.61916       7.254546      90.32761       10.18754      88.91070       10.33631      94.90495 5.367231 94.15148 5.489192 0.7534714      7.677135 
1 1 1 3  24 6  o 191.8234 3.002588 368.6075       11.51943      365.9862       16.13144      371.2996       16.45025      191.1344 4.219923 192.5125 4.272516 -1.378082      6.005176 
1 1 1 3  24 7  o 193.7153 3.441340 376.3296       13.38265      364.0025       16.43608      388.5858       21.11895      190.6024 4.311615 196.8283 5.364816 -6.225922      6.882679 
1 1 1 3  24 8  o 207.1332 2.661698 429.7468       11.02351      432.1556       15.51509      427.2673       15.67095      207.7248 3.734532 206.5416 3.793656 1.183197       5.323397 
1 1 1 3  24 9  o 215.3729 2.659034 464.6735       11.45567      454.1176       15.91891      475.2294       16.47859      212.9284 3.738091 217.8174 3.782661 -4.889053      5.318068 
1 1 1 3  24 10 o 62.83483 4.467563 40.25423       5.517423      49.84667       7.948828      30.65471       7.651280      70.46505 5.640264 55.20461 6.929928 15.26044       8.935126 
1 1 1 3  24 11 o 37.94732 7.268689 14.96959       5.861022      20.46717       8.324308      9.464915       8.253463      44.11969 9.696871 31.77494 10.83079 12.34475       14.53738 
1 1 1 3  24 12 o 92.23346 3.341715 85.29759       6.164948      86.07689       8.721042      84.58914       8.713958      92.63660 4.707126 91.83031 4.744597 0.8062820      6.683430 
1 1 1 3  24 13 o 128.0916 2.794366 164.5025       7.162447      157.4180       9.911241      171.6579       10.33631      125.3187 3.954415 130.8645 3.949243 -5.545830      5.588731 
1 1 1 3  24 14 o 120.5831 2.870076 146.0119       6.929367      135.4560       9.372816      156.5679       10.20879      116.2209 4.032328 124.9454 4.085301 -8.724464      5.740153 
1 1 1 3  24 15 o 48.98539 6.058445 24.73205       5.806470      24.63995       7.707955      24.82415       8.685618      49.33539 7.811792 48.63540 9.262555 0.6999893      12.11689 
1 1 1 3  24 16 o 97.97960 3.555078 96.63282       6.978250      92.16957       9.358648      101.0252       10.35048      95.74809 4.887120 100.2111 5.164338 -4.463028      7.110157 
1 1 1 3  24 17 o 69.49449 4.612919 49.13822       6.432742      40.78557       8.317224      57.48378       9.812057      63.54472 6.544387 75.44426 6.502852 -11.89954      9.225838 
1 1 1 3  24 18 o 79.77535 4.126778 65.44677       6.570890      47.31750       8.317224      83.59731       10.18045      68.47335 6.073329 91.07735 5.588904 -22.60400      8.253556 
1 1 1 3  24 19 o 145.3052 2.691099 212.1105       7.814223      218.4865       10.93141      205.6635       11.17229      147.5181 3.705109 143.0923 3.903873 4.425781       5.382198 
1 1 1 3  24 20 o 57.21849 4.673456 33.16971       5.338184      33.98443       7.155363      32.34791       7.927575      57.97110 6.171492 56.46589 7.019791 1.505203       9.346912 
1 1 1 3  24 21 o 89.92969 3.326719 81.47195       5.985001      79.41744       8.274716      83.52647       8.650196      88.80184 4.659091 91.05753 4.749852 -2.255684      6.653437 
1 1 1 3  24 22 o 29.35866 6.934597 8.076350       5.073932      2.826014       6.640318      13.31889       7.672533      23.28002 9.347287 35.43730 10.24611 -12.15728      13.86919 
1 1 1 3  24 23 o 35.19916 7.235029 13.12053       5.437367      14.86332       7.452912      11.37065       7.920490      37.20029 9.857309 33.19802 10.59321 4.002270       14.47006 
1 1 1 3  24 24 o 83.28261 3.795696 70.15798       6.313014      71.55363       8.480167      68.74816       9.358648      84.17095 5.037467 82.39426 5.679187 1.776695       7.591393 
1 1 1 3  24 25 o 52.79720 7.297201 30.01002       7.488335      34.95501       9.875818      25.07211       11.25021      58.07566 8.502544 47.51874 11.86184 10.55692       14.59440 
1 1 1 3  24 26 o 70.08645 4.887195 50.76057       6.709038      59.38951       8.990252      42.13871       9.960832      76.33118 5.888978 63.84172 7.801193 12.48945       9.774389 
1 1 1 3  24 27 o 24.06068 6.852402 2.805469       5.197202      -0.7026425     6.931493      6.314431       7.743378      20.61532 8.977905 27.50603 10.35465 -6.890711      13.70480 
1 1 1 3  24 28 o 104.6836 3.216167 111.6520       6.675741      127.5213       9.386987      95.78268       9.493254      112.2712 4.180495 97.09588 4.888598 15.17535       6.432335 
1 1 1 3  24 29 o 118.1248 3.277854 141.8320       7.764632      138.0064       9.457831      145.7285       12.31998      116.7436 4.050686 119.5061 5.154538 -2.762543      6.555709 
1 1 1 3  24 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  24 31 o 68.84917 4.950914 49.97419       6.768548      55.50011       9.415324      44.45535       9.727042      72.91666 6.456223 64.78169 7.507555 8.134964       9.901829 
1 1 1 3  24 32 o 27.44280 7.004885 7.275800       5.159654      11.79572       7.566265      2.747376       7.015089      32.13272 10.36375 22.75287 9.426893 9.379850       14.00977 
1 1 1 3  24 33 o 18.58131 5.915465 -2.247917      4.699870      -5.387776      6.254921      0.8912323      7.017214      16.09639 7.558766 21.06624 9.101426 -4.969849      11.83093 
1 1 1 3  24 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  24 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  24 36 o 24.99876 6.337424 7.637110       4.080682      5.152570       4.958454      10.12378       6.481626      21.93018 8.278220 28.06733 9.598065 -6.137156      12.67485 
1 1 1 3  24 37 o 25.94070 5.621284 8.324308       3.435283      5.762547       5.322598      10.88890       4.343518      22.16289 8.514769 29.71851 7.341256 -7.555624      11.24257 
1 1 1 3  24 38 o 22.80078 5.429907 6.480209       3.283674      11.31397       4.898944      1.645025       4.373273      28.91354 8.132442 16.68802 7.197148 12.22552       10.85981 
1 1 1 3  25 0  o 182.0689 5.286190 332.8307       19.21321      332.8307       19.21321      332.8307       19.21321      182.0689 5.286190 182.0689 5.286190 0.000000       0.000000 
1 1 1 3  25 1  o 25.43482 7.716597 -1.370146      7.190785      -5.503253      10.36465      2.762254       9.982086      23.19654 10.48344 27.67311 11.32611 -4.476570      15.43319 
1 1 1 3  25 2  o 41.67295 7.469237 18.29222       6.348436      23.35765       9.068183      13.23388       8.883986      47.19558 9.921140 36.15033 11.16821 11.04525       14.93847 
1 1 1 3  25 3  o 111.7990 3.549890 125.3960       7.941744      120.2243       10.98809      130.5677       11.46275      109.4928 5.017724 114.1053 5.022881 -4.612564      7.099781 
1 1 1 3  25 4  o 69.52547 4.227733 48.57145       5.877316      45.80141       8.175533      51.34858       8.444746      67.53541 6.052776 71.51552 5.904135 -3.980110      8.455466 
1 1 1 3  25 5  o 64.09385 4.477098 41.27440       5.738459      40.46677       8.104689      42.08912       8.125941      63.46144 6.385522 64.72626 6.277160 -1.264816      8.954196 
1 1 1 3  25 6  o 104.8210 3.591336 111.2978       7.594603      132.6930       11.95867      89.83168       9.379901      115.0036 5.199257 94.63840 4.955654 20.36521       7.182672 
1 1 1 3  25 7  o 74.81892 4.009347 56.38567       5.982875      50.05920       8.317224      62.70506       8.600604      70.59848 5.890512 79.03938 5.440709 -8.440895      8.018694 
1 1 1 3  25 8  o 147.5437 3.200943 218.3448       9.443663      223.7999       13.51017      212.8189       13.20554      149.3998 4.521482 145.6876 4.532144 3.712250       6.401885 
1 1 1 3  25 9  o 231.6520 2.708014 537.7149       12.54668      542.5323       17.81756      532.8975       17.66879      232.6899 3.828608 230.6142 3.830811 2.075699       5.416027 
1 1 1 3  25 10 o 112.5823 3.029111 127.3796       6.816723      115.9027       9.394071      138.7857       9.875818      107.5084 4.368993 117.6562 4.196898 -10.14774      6.058222 
1 1 1 3  25 11 o 137.8560 3.261163 190.7152       8.983169      194.6117       12.45458      186.8187       12.95758      139.2787 4.471103 136.4334 4.748683 2.845215       6.522327 
1 1 1 3  25 12 o 103.3260 3.602062 107.4013       7.452912      99.96254       10.01751      114.8400       11.04476      99.75037 5.021288 106.9016 5.165857 -7.151184      7.204125 
1 1 1 3  25 13 o 107.7652 3.589581 116.7529       7.736294      116.1861       10.64095      117.3196       11.23604      107.5179 4.948454 108.0126 5.201267 -0.4947205     7.179163 
1 1 1 3  25 14 o 130.2838 3.264337 170.9494       8.529759      154.5842       11.27147      187.3147       12.80172      124.0431 4.543366 136.5246 4.688433 -12.48142      6.528674 
1 1 1 3  25 15 o 124.1696 2.860084 154.8676       7.105771      147.2163       9.748297      162.5188       10.34340      121.1027 4.024805 127.2364 4.064636 -6.133705      5.720168 
1 1 1 3  25 16 o 104.7629 3.076954 110.2351       6.449745      108.0389       8.883986      112.5022       9.351563      103.7102 4.283080 105.8156 4.418801 -2.105385      6.153908 
1 1 1 3  25 17 f 103.2368 3.092205 107.1179       6.385984      106.4095       8.969000      107.8972       9.089437      102.8802 4.358954 103.5933 4.387076 -0.7131348     6.184409 
1 1 1 3  25 18 o 168.1512 2.658708 284.0183       8.940661      274.8085       12.36957      293.2282       12.92216      165.4282 3.738652 170.8743 3.781190 -5.446091      5.317417 
1 1 1 3  25 19 o 148.8787 2.722649 222.7372       8.097604      230.8136       11.37065      214.5900       11.54068      151.6079 3.750020 146.1495 3.948244 5.458328       5.445299 
1 1 1 3  25 20 o 108.3485 3.096652 118.3115       6.720373      111.1561       9.054014      125.4668       9.932493      105.0810 4.308110 111.6160 4.449405 -6.534935      6.193304 
1 1 1 3  25 21 o 22.10694 6.599566 0.1759794      5.122107      2.869938       7.029967      -2.517838      7.452912      23.82636 9.596459 20.38752 9.062289 3.438845       13.19913 
1 1 1 3  25 22 o 24.03511 6.936514 2.292550       5.336767      4.126731       7.155363      0.4589350      7.920490      25.05093 9.820283 23.01929 9.799130 2.031639       13.87303 
1 1 1 3  25 23 o 27.55803 7.557809 5.119273       6.034592      7.410406       8.281801      2.826723       8.784801      29.26642 10.76608 25.84964 10.61007 3.416780       15.11562 
1 1 1 3  25 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  25 25 o 35.26040 7.749566 13.38265       6.089851      10.59844       7.977167      16.16687       9.209873      32.08698 10.64795 38.43383 11.26252 -6.346851      15.49913 
1 1 1 3  25 26 o 85.41658 4.470898 75.52096       7.715039      90.96520       12.19954      59.97753       9.450747      94.23247 6.473109 76.60069 6.168839 17.63177       8.941796 
1 1 1 3  25 27 o 59.69668 4.777040 36.77573       5.714372      34.58662       7.630026      38.96485       8.508506      57.96395 6.581699 61.42940 6.925435 -3.465450      9.554079 
1 1 1 3  25 28 o 73.70584 3.964935 55.66306       5.841893      57.01619       8.076350      54.30991       8.437660      74.66319 5.408522 72.74849 5.799200 1.914703       7.929870 
1 1 1 3  25 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  25 30 o 28.77417 7.123445 8.536844       5.100144      9.797889       6.949912      7.275800       7.467082      30.00626 9.938735 27.54208 10.20762 2.464182       14.24689 
1 1 1 3  25 31 o 29.54382 6.738000 7.112856       5.585434      16.00393       6.947787      -1.772546      8.749379      37.35839 9.319345 21.72924 9.734083 15.62915       13.47600 
1 1 1 3  25 32 o 29.70417 7.558244 9.748297       5.842602      9.797889       6.988169      9.698705       9.365732      29.36933 9.966067 30.03901 11.36599 -0.6696796     15.11649 
1 1 1 3  25 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  25 34 o 50.06027 16.51586 0.000000       0.000000      ?              ?             44.86625       19.19196      ?        ?        50.06027 16.51586 ?              ?        
1 1 1 3  25 35 o 19.98947 5.791962 2.515712       3.856812      5.061180       5.174532      -0.3008795E-01 5.720748      22.04873 8.417302 17.93020 7.958410 4.118525       11.58392 
1 1 1 3  25 36 o 33.18884 6.396110 14.62245       4.480958      12.81589       6.911656      16.42191       5.704454      30.19124 9.911351 36.18642 8.087399 -5.995182      12.79222 
1 1 1 3  25 37 o 17.96198 5.483873 1.406277       3.828474      3.553594       4.555345      -0.7403321     6.153612      18.88748 7.677569 17.03647 7.832395 1.851006       10.96775 
1 1 1 3  26 0  o 26.64667 12.69883 10.55593       7.679617      10.55593       7.679617      10.55593       7.679617      26.64667 12.69883 26.64667 12.69883 0.000000       0.000000 
1 1 1 3  26 1  o 136.3002 3.119019 186.2520       8.501422      186.8187       12.72379      185.6852       11.28564      136.4874 4.661161 136.1131 4.145684 0.3742981      6.238038 
1 1 1 3  26 2  o 142.7538 3.224929 204.3884       9.209873      202.0504       12.92925      206.6554       13.11344      141.9501 4.554152 143.5574 4.567316 -1.607346      6.449858 
1 1 1 3  26 3  o 191.0537 3.118315 365.9862       11.91616      371.5121       16.94617      360.4603       16.75488      192.4970 4.401670 189.6103 4.418242 2.886688       6.236630 
1 1 1 3  26 4  o 25.29793 7.321942 2.310970       5.903528      2.953535       8.473083      1.668404       8.218040      25.95663 10.50196 24.63923 10.20550 1.317406       14.64388 
1 1 1 3  26 5  o 236.6439 3.141504 561.6606       14.87040      577.1049       21.30314      546.2163       20.75055      239.8985 4.440033 233.3894 4.445479 6.509125       6.283008 
1 1 1 3  26 6  o 118.6669 3.010254 141.1944       7.141194      142.6113       10.04585      139.7775       10.15920      119.2657 4.211540 118.0682 4.302260 1.197540       6.020508 
1 1 1 3  26 7  o 150.5597 3.223276 227.5547       9.691620      237.4730       13.55268      217.5655       13.86440      153.8708 4.403916 147.2487 4.707819 6.622162       6.446552 
1 1 1 3  26 8  o 144.6828 3.650448 210.3393       10.59844      217.9198       16.49984      202.7589       13.30472      147.2334 5.603294 142.1322 4.680403 5.101166       7.300896 
1 1 1 3  26 9  o 100.9604 3.850371 102.8672       7.729208      114.7692       10.83931      90.89436       11.01642      106.8768 5.070939 95.04407 5.795431 11.83271       7.700743 
1 1 1 3  26 10 o 76.77377 5.541902 59.77916       8.522675      54.73498       11.36357      64.83042       12.71671      73.54008 7.726105 80.00748 7.947201 -6.467400      11.08380 
1 1 1 3  26 11 o 116.7114 3.088823 136.9437       7.204955      146.2953       10.40716      127.5922       9.975000      120.7073 4.310905 112.7154 4.424861 7.991898       6.177646 
1 1 1 3  26 12 o 66.56477 4.348748 44.70331       5.785926      45.51094       8.040927      43.88859       8.324308      67.18416 5.984244 65.94539 6.311517 1.238770       8.697495 
1 1 1 3  26 13 o 50.00215 5.684553 25.81598       5.520965      28.60728       7.729208      23.03177       7.885069      53.15612 7.270291 46.84818 8.740676 6.307945       11.36911 
1 1 1 3  26 14 o 138.2934 2.852875 192.1321       7.892153      181.5053       10.88182      202.8297       11.43441      134.4523 4.046722 142.1346 4.022389 -7.682312      5.705749 
1 1 1 3  26 15 o 46.08846 6.082947 22.67754       5.455787      14.92708       7.226208      30.42800       8.175533      37.44330 9.603688 54.73361 7.468477 -17.29031      12.16589 
1 1 1 3  26 16 o 118.7757 3.027754 141.9737       7.197870      134.8892       9.840395      148.9874       10.50634      115.8296 4.247790 121.7217 4.315721 -5.892128      6.055507 
1 1 1 3  26 17 o 48.69824 5.945750 24.78873       5.626524      20.31840       7.722124      29.25906       8.182618      43.76191 9.122477 53.63456 7.628120 -9.872650      11.89150 
1 1 1 3  26 18 o 115.6540 3.098433 134.6767       7.162447      134.8184       9.996255      134.4642       10.27255      115.7410 4.318373 115.5670 4.444412 0.1739502      6.196866 
1 1 1 3  26 19 o 84.91582 3.717813 73.04137       6.291760      81.61364       9.004422      64.46203       8.784801      89.95558 5.004927 79.87607 5.499021 10.07951       7.435625 
1 1 1 3  26 20 o 120.7014 3.029492 146.7912       7.311223      154.4425       10.35048      139.1399       10.31506      123.8695 4.177978 117.5333 4.388141 6.336166       6.058983 
1 1 1 3  26 21 o 33.81803 7.797015 11.73196       6.276175      6.225874       7.700871      17.23663       9.911241      27.63811 10.34161 39.99795 11.67154 -12.35983      15.59403 
1 1 1 3  26 22 o 55.98670 6.570022 33.09178       7.134109      36.69780       9.868733      29.48576       10.30089      59.67158 8.269208 52.30183 10.21180 7.369747       13.14004 
1 1 1 3  26 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  26 24 o 20.79163 6.716481 -6.243586      6.461080      -2.077889      8.147196      -10.40716      10.03168      21.49785 9.525266 20.08540 9.471736 1.412455       13.43296 
1 1 1 3  26 25 o 61.37709 4.845822 38.75231       5.955245      37.85966       7.892153      39.64496       8.919409      60.75673 6.494880 61.99746 7.193366 -1.240730      9.691645 
1 1 1 3  26 26 o 48.40801 6.885052 25.63887       6.495794      31.58278       8.756464      19.68787       9.599521      54.99870 7.960609 41.81733 11.23586 13.18138       13.77010 
1 1 1 3  26 27 o 56.68798 5.067628 33.55228       5.751920      30.26506       7.715039      36.83241       8.536844      53.91061 7.155400 59.46535 7.177999 -5.554741      10.13526 
1 1 1 3  26 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  26 29 o 137.7815 2.857132 193.3365       7.856731      203.8216       10.91016      182.8514       11.30689      141.6299 3.851644 133.9331 4.221096 7.696777       5.714264 
1 1 1 3  26 30 o 55.37373 5.012852 32.61003       5.535134      34.24656       7.552096      30.98060       8.090520      56.96780 6.628390 53.77967 7.521913 3.188129       10.02570 
1 1 1 3  26 31 o 46.59828 6.147943 24.76039       5.528049      22.93258       7.537927      26.59528       8.083434      44.82657 8.719000 48.36999 8.669942 -3.543419      12.29589 
1 1 1 3  26 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  26 33 o 27.88007 8.064703 8.062181       7.488335      17.34998       12.24913      -1.217120      8.628942      34.87808 13.04436 20.88206 9.486954 13.99603       16.12941 
1 1 1 3  26 34 o 23.10630 6.569095 5.198619       4.690660      4.911696       5.759005      5.485542       7.403321      22.31648 8.792076 23.89611 9.762756 -1.579632      13.13819 
1 1 1 3  26 35 o 23.33365 5.955679 4.944993       4.283299      13.21263       6.400862      -3.321222      5.693827      31.20097 9.448008 15.46634 7.253662 15.73463       11.91136 
1 1 1 3  26 36 o 21.78824 6.140316 5.532300       4.101936      4.293926       6.156446      6.771382       5.422490      20.69109 8.715734 22.88539 8.651583 -2.194302      12.28063 
1 1 1 3  27 0  o 199.2818 3.853305 398.0790       15.34507      398.0790       15.34507      398.0790       15.34507      199.2818 3.853305 199.2818 3.853305 0.000000       0.000000 
1 1 1 3  27 1  f 70.44846 4.104716 49.91751       5.784509      49.43577       8.111773      50.39926       8.246379      70.10989 5.785042 70.78703 5.824781 -0.6771393     8.209433 
1 1 1 3  27 2  o 128.3600 2.938709 165.2818       7.545012      161.3853       10.53468      169.1783       10.80389      126.8471 4.152511 129.8729 4.159409 -3.025856      5.877417 
1 1 1 3  27 3  o 172.2698 3.157893 297.8331       10.88182      291.1028       15.13961      304.6343       15.63553      170.3160 4.444565 174.2236 4.487203 -3.907532      6.315786 
1 1 1 3  27 4  o 116.7068 3.544736 137.0854       8.274716      125.5377       11.29981      148.6332       12.09327      111.7780 5.054575 121.6357 4.971105 -9.857651      7.089472 
1 1 1 3  27 5  o 103.0967 3.951625 107.4721       8.118857      91.81535       11.11561      123.1998       11.83823      95.50584 5.819334 110.6875 5.347589 -15.18170      7.903250 
1 1 1 3  27 6  o 41.14037 8.553809 17.77505       7.665448      12.28455       10.15211      23.27264       11.49109      35.60425 12.01214 46.67649 12.18110 -11.07224      17.10762 
1 1 1 3  27 7  o 97.96215 4.278137 97.19958       8.465999      83.66816       10.43549      110.7310       13.32598      91.14987 5.724360 104.7744 6.359366 -13.62456      8.556274 
1 1 1 3  27 8  o 97.55388 3.835535 95.78268       7.488335      93.01972       10.26547      98.61649       10.90307      96.13905 5.338864 98.96871 5.508344 -2.829659      7.671070 
1 1 1 3  27 9  o 49.03914 6.702753 25.04377       6.428492      27.62254       9.011506      22.47209       9.174451      52.10637 8.647223 45.97191 10.24369 6.134457       13.40551 
1 1 1 3  27 10 o 61.46125 5.029503 38.24931       6.163530      40.40301       8.416408      36.10270       9.004422      63.23494 6.654871 59.68756 7.542963 3.547379       10.05901 
1 1 1 3  27 11 o 179.7515 2.775757 324.3292       9.975000      318.5908       13.98484      330.0677       14.23988      178.1613 3.924769 181.3417 3.926257 -3.180405      5.551514 
1 1 1 3  27 12 o 110.7980 3.158431 123.4123       7.000212      118.9491       9.762465      127.9464       10.03168      108.7758 4.487426 112.8202 4.445870 -4.044403      6.316863 
1 1 1 3  27 13 o 93.24670 3.439328 87.56464       6.416448      85.22675       8.820225      89.90253       9.323226      92.01092 4.793032 94.48248 4.933838 -2.471565      6.878656 
1 1 1 3  27 14 o 90.16999 4.083596 82.53463       7.183701      95.07423       9.075267      70.06588       11.14395      97.19023 4.668817 83.14975 6.701131 14.04048       8.167192 
1 1 1 3  27 15 o 48.66147 5.969368 24.53369       5.689576      24.34949       7.792970      24.71788       8.288886      48.88937 7.970004 48.43357 8.888896 0.4558029      11.93874 
1 1 1 3  27 16 o 40.60007 6.682441 17.38541       5.661947      25.01543       7.764632      9.762465       8.239295      49.49925 7.843181 31.70089 10.82149 17.79836       13.36488 
1 1 1 3  27 17 o 73.18085 4.276989 54.23198       6.258463      54.01236       8.706873      54.45868       8.997337      73.04364 5.960048 73.31806 6.135826 -0.2744217     8.553978 
1 1 1 3  27 18 f 91.51807 3.667283 84.58914       6.707621      87.63548       9.436578      81.54280       9.535762      93.18702 5.063247 89.84912 5.306541 3.337898       7.334565 
1 1 1 3  27 19 o 117.0558 3.241637 138.2189       7.594603      130.9219       10.42841      145.5869       11.03768      113.9513 4.575820 120.1603 4.592899 -6.208984      6.483275 
1 1 1 3  27 20 o 31.08313 7.602832 8.033843       6.357646      -0.2782090     8.437660      16.34398       9.514507      23.19027 9.999138 38.97599 11.45554 -15.78572      15.20566 
1 1 1 3  27 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  27 22 o 84.38577 4.662917 73.18307       7.849646      64.47620       10.82514      81.89703       11.37065      79.27464 6.827621 89.49689 6.352540 -10.22225      9.325833 
1 1 1 3  27 23 f 72.03195 4.648791 53.17639       6.700537      50.11588       9.174451      56.24399       9.769550      69.95958 6.556965 74.10432 6.591754 -4.144745      9.297582 
1 1 1 3  27 24 o 89.04370 4.124008 81.04688       7.318307      84.51830       9.804973      77.57547       10.87473      91.09247 5.381879 86.99493 6.250211 4.097534       8.248015 
1 1 1 3  27 25 o 36.47085 7.245834 14.67204       5.580475      17.11619       7.580434      12.22079       8.189702      39.31914 9.689402 33.62256 10.77608 5.696575       14.49167 
1 1 1 3  27 26 f 79.95936 4.676772 66.46694       7.502505      60.98354       9.897071      71.97870       11.27147      76.71900 6.450209 83.19971 6.773742 -6.480713      9.353543 
1 1 1 3  27 27 o 64.02867 4.682192 42.78341       5.997753      41.36650       8.288886      44.20031       8.671450      62.98473 6.580076 65.07260 6.662904 -2.087868      9.364384 
1 1 1 3  27 28 o 20.54409 6.383376 -0.7431660     5.099436      0.6952037      6.910239      -2.180614      7.502505      21.10740 9.074125 19.98077 8.980544 1.126635       12.76675 
1 1 1 3  27 29 f 32.00517 6.539471 10.62678       5.236167      19.67370       7.190785      1.581264       7.608772      41.57687 8.905451 22.43346 9.578709 19.14341       13.07894 
1 1 1 3  27 30 o 47.02899 6.144243 25.51843       5.635026      17.20829       7.360813      33.83566       8.529759      38.24766 9.623446 55.81032 7.641740 -17.56266      12.28849 
1 1 1 3  27 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  27 32 o 23.52577 7.597326 -5.111480      8.480167      10.81806       13.03551      -21.04102      10.84640      30.40499 12.73901 16.64655 8.282218 13.75844       15.19465 
1 1 1 3  27 33 o 21.27111 6.235188 2.824597       4.531257      6.336393       6.379609      -0.6869857     6.435576      24.11992 9.309937 18.42230 8.296707 5.697626       12.47038 
1 1 1 3  27 34 o 18.32082 5.724123 0.1666987      4.271964      3.031465       5.678241      -2.697784      6.383151      19.90008 8.375883 16.74156 7.804288 3.158522       11.44825 
1 1 1 3  27 35 f 23.31219 9.123856 7.079559       6.171323      7.079559       6.171323      ?              ?             23.31219 9.123856 ?        ?        ?              ?        
1 1 1 3  28 0  o 111.9686 6.392950 127.1671       14.21863      127.1671       14.21863      127.1671       14.21863      111.9686 6.392950 111.9686 6.392950 -0.000000      0.000000 
1 1 1 3  28 1  o 68.26157 6.386371 47.82050       8.671450      56.10229       12.69546      39.53161       11.81698      74.28542 8.545052 62.23772 9.493419 12.04770       12.77274 
1 1 1 3  28 2  o 190.5505 3.190775 364.9944       12.14995      382.2806       17.20829      347.7081       17.15870      195.0851 4.410460 186.0159 4.612161 9.069168       6.381550 
1 1 1 3  28 3  o 50.68567 6.033426 26.98493       5.847561      33.94901       8.352647      20.02793       8.189702      57.91835 7.210709 43.45298 9.675464 14.46537       12.06685 
1 1 1 3  28 4  o 51.01333 5.413793 26.39691       5.524507      25.04377       7.637110      27.75006       7.984251      49.70257 7.682812 52.32409 7.629614 -2.621517      10.82759 
1 1 1 3  28 5  o 45.78801 6.047301 23.71897       5.663363      42.38667       8.253463      5.049136       7.757547      64.79743 6.368666 26.77858 10.28200 38.01885       12.09460 
1 1 1 3  28 6  o 43.80240 6.376842 20.81431       5.631483      9.394071       7.757547      32.22747       8.168448      31.18285 10.50036 56.42195 7.238716 -25.23910      12.75368 
1 1 1 3  28 7  o 92.12564 4.161210 85.65182       7.644195      80.40928       11.07310      90.89436       10.54176      89.26169 6.202606 94.98959 5.548904 -5.727898      8.322419 
1 1 1 3  28 8  o 62.39583 4.703146 39.36866       5.869523      40.26131       8.345562      38.47602       8.253463      63.10730 6.612200 61.68435 6.690079 1.422951       9.406293 
1 1 1 3  28 9  o 122.3019 3.345651 150.6169       8.140111      141.5487       12.12869      159.6850       10.87473      118.5547 5.115233 126.0491 4.313688 -7.494492      6.691302 
1 1 1 3  28 10 o 36.40771 7.778404 13.85732       6.150779      14.72163       8.487252      12.99301       8.905238      37.29815 10.77387 35.51728 11.22221 1.780872       15.55681 
1 1 1 3  28 11 o 74.81151 4.679319 57.38460       6.923699      44.81666       9.457831      69.95253       10.10961      66.44366 7.117182 83.17937 6.076992 -16.73571      9.358638 
1 1 1 3  28 12 o 106.2184 3.803717 113.9190       8.062181      120.7202       11.21479      107.0471       11.58319      109.4511 5.123199 102.9857 5.623689 6.465401       7.607434 
1 1 1 3  28 13 o 70.44110 4.853694 50.34258       6.836560      50.95185       9.727042      49.72623       9.613690      70.87012 6.862585 70.01209 6.865736 0.8580246      9.707389 
1 1 1 3  28 14 o 71.02384 4.668719 51.30608       6.583642      55.62054       8.848563      46.99869       9.755382      74.11143 5.969769 67.93625 7.179805 6.175186       9.337438 
1 1 1 3  28 15 o 42.44765 7.165379 19.41866       6.033175      16.15270       8.473083      22.68463       8.586436      38.80593 10.61443 46.08936 9.628315 -7.283428      14.33076 
1 1 1 3  28 16 o 52.63750 6.045331 29.32990       6.083476      21.88408       8.487252      36.76865       8.721042      45.20473 9.669050 60.07027 7.259033 -14.86554      12.09066 
1 1 1 3  28 17 o 29.55386 7.357222 6.882609       5.936118      -0.5031424     8.005506      14.26822       8.770633      22.46622 9.713942 36.64151 11.05234 -14.17529      14.71444 
1 1 1 3  28 18 o 38.17324 7.816731 15.63553       6.320098      16.20938       8.607689      15.06169       9.259464      38.75826 10.74055 37.58822 11.35983 1.170044       15.63346 
1 1 1 3  28 19 o 44.46070 8.482244 22.02577       7.885069      15.50093       10.54885      28.54352       11.71779      38.10978 12.23168 50.81163 11.75500 -12.70185      16.96449 
1 1 1 3  28 20 o 37.55716 8.978649 14.70746       8.104689      17.27205       11.03059      12.14286       11.88074      39.66740 12.48295 35.44693 12.90893 4.220470       17.95730 
1 1 1 3  28 21 o 31.48402 7.908183 8.876901       6.514214      13.43933       8.954830      4.317306       9.464915      35.47628 11.25795 27.49177 11.10928 7.984505       15.81637 
1 1 1 3  28 22 o 51.68240 6.390484 28.42308       6.437701      30.21547       8.891070      26.63070       9.316141      53.88556 8.249957 49.47925 9.761729 4.406307       12.78097 
1 1 1 3  28 23 o 59.77877 5.273652 37.11579       6.286801      39.46785       8.749379      34.76373       9.032760      61.78180 7.080871 57.77573 7.817089 4.006065       10.54730 
1 1 1 3  28 24 o 92.59311 5.103445 89.33577       9.231127      99.82085       11.17937      78.85069       14.68620      98.71882 5.662228 86.46739 8.492337 12.25143       10.20689 
1 1 1 3  28 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  28 26 o 33.95301 7.626969 12.59627       6.005546      14.82081       7.552096      10.37173       9.337394      36.16883 10.07274 31.73719 11.45524 4.431644       15.25394 
1 1 1 3  28 27 o 57.32848 5.121295 34.87708       5.855353      36.59862       8.005506      33.14846       8.543928      58.94539 6.790611 55.71157 7.668003 3.233822       10.24259 
1 1 1 3  28 28 o 57.43831 5.149894 35.66346       5.824891      41.09729       8.005506      30.22964       8.465999      62.28696 6.426309 52.58966 8.049110 9.697304       10.29979 
1 1 1 3  28 29 o 25.05057 7.212348 4.559595       5.721456      2.098434       7.545012      7.020757       8.607689      22.62072 9.594373 27.48042 10.77125 -4.859705      14.42470 
1 1 1 3  28 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  28 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  28 32 o 24.98045 6.620201 4.862104       5.263797      12.88674       7.078141      -3.163237      7.792970      31.33392 10.01567 18.62697 8.659945 12.70695       13.24040 
1 1 1 3  28 33 o 28.69713 7.124247 11.43441       5.115022      12.70254       6.969040      10.15920       7.488335      30.15885 9.952409 27.23542 10.19652 2.923435       14.24849 
1 1 1 3  28 34 o 16.13264 5.392453 -3.546510      4.607770      -6.106854      6.281842      -0.9861649     6.741627      14.64472 7.075979 17.62057 8.139087 -2.975855      10.78491 
1 1 1 3  29 0  o 22.23623 12.29407 7.098687       7.863815      7.098687       7.863815      7.098687       7.863815      22.23623 12.29407 22.23623 12.29407 -0.000000      0.000000 
1 1 1 3  29 1  f 89.94000 3.720617 81.54280       6.682826      87.42295       9.514507      75.73349       9.386987      93.18488 5.105177 86.69513 5.413791 6.489754       7.441235 
1 1 1 3  29 2  o 37.22614 8.137060 14.38157       6.677158      15.79847       9.684536      12.96467       9.195704      38.78320 11.59694 35.66908 11.41744 3.114124       16.27412 
1 1 1 3  29 3  o 126.7033 3.536747 162.0229       8.976085      177.3255       13.34723      146.6495       12.00826      132.7108 5.028692 120.6959 4.974593 12.01488       7.073494 
1 1 1 3  29 4  o 60.16872 5.751148 36.87492       6.922991      36.12396       9.705790      37.62588       9.868733      59.55392 8.148740 60.78352 8.117935 -1.229595      11.50230 
1 1 1 3  29 5  o 75.93723 4.749804 58.41893       7.212039      59.33284       10.44258      57.50503       9.960832      76.51565 6.823820 75.35882 6.608936 1.156830       9.499608 
1 1 1 3  29 6  o 85.79735 4.163313 74.38744       7.162447      76.72533       11.10852      72.04955       9.046929      87.07021 6.379061 84.52450 5.351661 2.545708       8.326626 
1 1 1 3  29 7  o 100.6911 3.507210 102.4421       7.056180      91.17775       9.627860      113.7065       10.32214      95.12331 5.060726 106.2589 4.857071 -11.13562      7.014420 
1 1 1 3  29 8  o 80.45929 4.076599 65.39010       6.560972      63.37810       9.139028      67.40210       9.415324      79.22077 5.768076 81.69781 5.762287 -2.477036      8.153198 
1 1 1 3  29 9  o 31.48188 7.964514 8.501422       6.541135      4.069347       9.054014      12.92925       9.443663      27.28851 10.93216 35.67525 11.58541 -8.386736      15.92903 
1 1 1 3  29 10 o 216.4283 2.811952 470.7662       12.17120      483.5892       17.34998      458.0141       17.07369      219.3740 3.954430 213.4826 3.998847 5.891373       5.623904 
1 1 1 3  29 11 o 57.19316 5.304097 33.36808       6.063639      32.05745       8.558097      34.67871       8.593520      56.04969 7.634384 58.33664 7.365458 -2.286942      10.60819 
1 1 1 3  29 12 o 25.23879 7.177179 2.095600       5.849687      -3.042092      8.288886      7.233293       8.260548      21.31065 9.512323 29.16692 10.75004 -7.856274      14.35436 
1 1 1 3  29 13 o 66.50377 4.816472 45.05045       6.381733      49.81833       9.075267      40.27548       8.976085      70.08539 6.474436 62.92215 7.132690 7.163242       9.632943 
1 1 1 3  29 14 o 48.28171 6.999510 24.98001       6.538302      24.29281       9.585353      25.67429       8.891070      47.45602 10.38441 49.10740 9.388113 -1.651382      13.99902 
1 1 1 3  29 15 o 84.83339 4.618439 73.25391       7.828392      69.30075       11.06602      77.15040       11.07310      82.52059 6.705003 87.14619 6.353176 -4.625595      9.236878 
1 1 1 3  29 16 o 89.46648 4.808909 81.96787       8.522675      94.08241       11.93741      69.85335       12.15703      96.25183 6.201135 82.68113 7.351758 13.57070       9.617818 
1 1 1 3  29 17 o 42.24437 8.803210 18.95817       8.628942      29.74789       12.34832      8.161365       12.05785      51.76663 12.12683 32.72211 12.76425 19.04452       17.60642 
1 1 1 3  29 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  29 19 o 84.77406 4.546914 73.53729       7.693786      77.57547       10.76138      69.49203       11.00226      87.17888 6.172012 82.36923 6.678620 4.809647       9.093828 
1 1 1 3  29 20 o 48.31042 7.051324 25.49010       6.594978      23.38599       9.082352      27.60128       9.564099      46.20821 10.10562 50.41264 9.836724 -4.204426      14.10265 
1 1 1 3  29 21 f 40.55703 6.803236 17.88132       6.250670      5.010171       8.494337      30.74681       9.174451      26.91264 10.65405 54.20142 8.463295 -27.28878      13.60647 
1 1 1 3  29 22 o 64.13534 5.140294 43.41393       6.485168      32.04327       8.770633      54.78458       9.557014      55.37177 7.919770 72.89891 6.554977 -17.52714      10.28059 
1 1 1 3  29 23 o 37.88503 7.575902 16.22355       6.002004      15.93308       8.203872      16.52110       8.756464      37.58925 10.50823 38.18081 10.91578 -0.5915565     15.15180 
1 1 1 3  29 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  29 25 o 35.40756 7.345508 14.07694       5.875899      20.27589       8.366816      7.877984       8.253463      42.13374 10.05452 28.68138 10.71133 13.45236       14.69102 
1 1 1 3  29 26 o 40.80562 7.127852 19.26280       5.797969      20.36090       7.899237      18.16470       8.494337      42.21357 9.574533 39.39767 10.56189 2.815899       14.25570 
1 1 1 3  29 27 o 41.44170 7.139684 20.78598       5.955954      15.21754       7.877984      26.36149       8.933578      35.52099 10.41874 47.36242 9.764745 -11.84143      14.27937 
1 1 1 3  29 28 o 29.93439 7.833570 8.947746       6.609855      13.16303       8.359732      4.738125       10.24421      33.12214 10.90029 26.74665 11.25358 6.375488       15.66714 
1 1 1 3  29 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  29 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  29 31 o 20.24011 6.320064 1.105893       5.030007      0.3739208      7.127024      1.837724       7.098687      19.76531 8.821568 20.71492 9.052777 -0.9496078     12.64013 
1 1 1 3  29 32 o 33.53082 6.569255 15.21754       4.701995      18.90149       6.570890      11.54068       6.727458      38.22763 8.775159 28.83400 9.778398 9.393633       13.13851 
1 1 1 3  29 33 o 14.22335 4.867394 -6.240043      4.253545      -5.772465      5.960914      -6.706913      6.069307      14.33759 6.920504 14.10912 6.846365 0.2284651      9.734788 
1 1 1 3  30 0  o 59.60292 7.725287 37.58337       8.961915      37.58337       8.961915      37.58337       8.961915      59.60292 7.725287 59.60292 7.725287 0.000000       0.000000 
1 1 1 3  30 1  o 91.26584 3.736410 84.02238       6.823099      85.72267       9.875818      82.25125       9.415324      92.19888 5.355715 90.33281 5.211464 1.866066       7.472820 
1 1 1 3  30 2  o 30.50597 7.592914 8.437660       5.810013      10.27963       7.998421      6.599228       8.430575      32.19027 10.66212 28.82168 10.81335 3.368584       15.18583 
1 1 1 3  30 3  o 80.94545 4.042877 66.68656       6.500045      54.79166       8.912323      78.56730       9.464915      73.62543 6.052476 88.26548 5.361618 -14.64005      8.085754 
1 1 1 3  30 4  o 38.92533 7.193400 16.23771       5.774590      11.57610       7.970083      20.89224       8.359732      33.59074 10.61696 44.25993 9.708767 -10.66919      14.38680 
1 1 1 3  30 5  o 110.2209 3.355450 122.3496       7.396237      119.4450       10.36465      125.2543       10.55593      108.9102 4.758345 111.5315 4.732265 -2.621262      6.710900 
1 1 1 3  30 6  o 51.35555 7.046735 27.77839       7.073891      24.76748       10.23713      30.78931       9.762465      47.93554 10.91852 54.77557 8.911332 -6.840031      14.09347 
1 1 1 3  30 7  o 92.49892 4.421412 86.78535       8.168448      92.09874       11.55485      81.54280       11.54776      95.35151 6.059080 89.64632 6.440735 5.705193       8.842823 
1 1 1 3  30 8  o 78.60182 5.142174 62.97428       8.062181      60.18298       11.85240      65.77267       10.93141      76.76433 7.719991 80.43931 6.794819 -3.674980      10.28435 
1 1 1 3  30 9  o 38.54594 7.964861 14.37449       7.424574      3.143400       10.74013      25.60345       10.25838      28.35519 11.70065 48.73669 10.80976 -20.38150      15.92972 
1 1 1 3  30 10 o 29.38570 7.686538 3.614521       6.961247      -6.326474      10.49926      13.55977       9.146112      22.68421 10.34802 36.08718 11.36882 -13.40297      15.37308 
1 1 1 3  30 11 o 110.6356 3.577081 123.6248       7.913406      123.5540       11.16520      123.6248       11.22188      110.6223 5.046543 110.6488 5.070941 -0.2658081E-01 7.154163 
1 1 1 3  30 12 o 73.20432 4.864277 54.64997       7.105771      58.42602       10.05293      50.88101       10.05293      75.78101 6.632883 70.62762 7.116856 5.153389       9.728555 
1 1 1 3  30 13 o 64.57365 5.159245 42.76215       6.629692      36.93159       9.209873      48.59270       9.542846      60.08271 7.664329 69.06458 6.908639 -8.981873      10.31849 
1 1 1 3  30 14 o 32.18898 7.949365 7.722124       7.119940      -2.055219      10.05293      17.49876       10.08835      24.18528 10.66559 40.19268 11.79046 -16.00740      15.89873 
1 1 1 3  30 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  30 16 o 52.24224 7.993916 30.28631       8.125941      33.42476       11.37774      27.14787       11.60444      55.25596 10.67651 49.22852 11.90054 6.027443       15.98783 
1 1 1 3  30 17 o 29.22986 8.125173 5.841893       7.022882      8.274716       9.762465      3.407653       10.10252      30.96545 11.63254 27.49427 11.34715 3.471182       16.25035 
1 1 1 3  30 18 o 24.66810 7.348565 -0.6153613     6.618357      -7.580434      9.514507      6.349853       9.202788      20.52654 9.552996 28.80967 11.16897 -8.283129      14.69713 
1 1 1 3  30 19 o 49.34084 7.572131 27.11245       7.282885      22.98217       9.882903      31.23564       10.71179      45.37114 10.99137 53.31055 10.41818 -7.939404      15.14426 
1 1 1 3  30 20 o 31.89048 8.104023 9.769550       6.694869      12.53960       9.301972      6.999504       9.627860      34.32177 11.49818 29.45920 11.42334 4.862570       16.20805 
1 1 1 3  30 21 o 45.03895 7.103955 22.89716       6.851437      36.83241       9.783719      8.961915       9.592437      59.12294 8.274046 30.95495 11.55010 28.16799       14.20791 
1 1 1 3  30 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  30 23 o 32.83338 7.534327 11.74613       5.816390      7.736294       8.048012      15.76305       8.402238      28.53013 10.59257 37.13663 10.71736 -8.606504      15.06865 
1 1 1 3  30 24 o 28.43265 7.074734 5.671865       5.988543      16.35815       8.657280      -5.016547      8.274716      37.36738 10.90963 19.49792 9.010408 17.86946       14.14947 
1 1 1 3  30 25 o 28.05070 7.730237 6.458955       6.553179      0.7771716      8.933578      12.14286       9.592437      23.37579 10.18610 32.72560 11.63055 -9.349812      15.46047 
1 1 1 3  30 26 o 84.05057 4.514864 75.52096       7.594603      63.63314       10.05293      87.42295       11.37774      77.29890 6.502635 90.80224 6.265119 -13.50333      9.029728 
1 1 1 3  30 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  30 28 o 21.85186 6.750130 -0.5004503     6.105437      -9.557014      8.465999      8.558097       8.798972      16.77939 8.125834 26.92432 10.78090 -10.14494      13.50026 
1 1 1 3  30 29 o 50.87202 5.755346 30.94518       5.660530      24.61161       7.672533      37.28582       8.324308      44.64227 8.908781 57.10177 7.289011 -12.45950      11.51069 
1 1 1 3  30 30 o 23.39397 6.663352 5.782383       4.796218      4.381066       6.390234      7.183701       7.155363      21.93875 9.034465 24.84919 9.796913 -2.910437      13.32670 
1 1 1 3  30 31 o 50.59639 5.343710 31.15771       5.132025      38.02969       7.275800      24.28573       7.240376      57.69288 6.305631 43.49989 8.629020 14.19299       10.68742 
1 1 1 3  30 32 o 26.70593 6.500325 10.06001       4.487334      5.482708       6.253504      14.64370       6.437701      21.65895 8.931309 31.75292 9.447147 -10.09397      13.00065 
1 1 1 3  31 0  o 14.94465 10.06977 -2.770046      8.359732      -2.770046      8.359732      -2.770046      8.359732      14.94465 10.06977 14.94465 10.06977 0.000000       0.000000 
1 1 1 3  31 1  o 84.86804 4.079341 72.89968       6.919449      69.41411       9.705790      76.37110       9.868733      82.82678 5.859089 86.90931 5.677604 -4.082527      8.158683 
1 1 1 3  31 2  o 39.13598 7.184146 15.97559       6.282550      26.03560       8.735210      5.915572       9.032760      49.58708 9.151731 28.68488 11.07672 20.90220       14.36829 
1 1 1 3  31 3  o 52.02190 6.416637 28.64271       6.414322      35.35883       9.075267      21.91950       9.061099      58.87428 7.707328 45.16953 10.26109 13.70474       12.83327 
1 1 1 3  31 4  o 29.96702 7.621369 8.019674       5.842602      8.763549       8.147196      7.282885       8.373900      30.59950 10.73422 29.33454 10.82209 1.264961       15.24274 
1 1 1 3  31 5  o 110.4025 3.553152 122.9872       7.842561      127.2379       11.10852      118.7365       11.07310      112.3260 4.944769 108.4789 5.103804 3.847115       7.106304 
1 1 1 3  31 6  o 100.2955 4.246675 101.9462       8.515590      102.1587       12.93633      101.6628       11.08727      100.3185 6.447630 100.2725 5.528570 0.4598999E-01  8.493351 
1 1 1 3  31 7  o 33.15620 7.684703 9.620775       6.558138      17.76089       9.004422      1.483498       9.535762      40.51701 10.88000 25.79539 10.85561 14.72161       15.36941 
1 1 1 3  31 8  o 57.41263 7.089077 34.91959       7.927575      30.20838       11.00934      39.63787       11.40607      52.89655 10.78025 61.92871 9.209035 -9.032169      14.17815 
1 1 1 3  31 9  o 132.0517 3.491943 176.1920       9.202788      186.6062       12.90799      165.7777       13.12761      136.0056 4.745390 128.0979 5.124055 7.907684       6.983886 
1 1 1 3  31 10 f 30.04445 7.953577 3.953161       7.396237      14.26113       9.996255      -6.356938      10.89599      36.97459 11.91097 23.11431 10.54354 13.86029       15.90715 
1 1 1 3  31 11 o 39.55827 9.561000 15.81973       9.216957      11.63986       13.07094      19.99959       13.00009      36.16307 13.48477 42.95346 13.55773 -6.790394      19.12200 
1 1 1 3  31 12 o 33.69501 10.58229 -7.049096      15.57885      -19.09278      26.63070      4.995294       16.16687      33.47135 15.69603 33.91867 14.19768 -0.4473228     21.16458 
1 1 1 3  31 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  31 14 o 98.53703 5.274795 100.6002       10.27255      86.07689       14.87040      115.0526       14.16904      91.11408 8.160320 105.9600 6.686031 -14.84591      10.54959 
1 1 1 3  31 15 o 112.1638 4.212591 128.4423       9.365732      117.7447       14.17612      139.1399       12.23496      107.2391 6.609583 117.0885 5.224664 -9.849365      8.425182 
1 1 1 3  31 16 o 28.68854 7.817830 6.225166       6.433450      3.264546       8.841478      9.188620       9.344479      25.98136 10.65085 31.39573 11.44698 -5.414375      15.63566 
1 1 1 3  31 17 o 20.47861 6.612287 -5.389901      6.142277      -8.940661      8.593520      -1.841266      8.777717      18.56940 8.759685 22.38783 9.907434 -3.818432      13.22457 
1 1 1 3  31 18 o 40.60096 7.825198 18.57561       6.558846      15.79847       8.813140      21.34565       9.719957      37.67205 11.01023 43.52987 11.12249 -5.857815      15.65040 
1 1 1 3  31 19 o 50.52169 6.713183 28.05469       6.541844      26.00727       8.905238      30.10920       9.585353      48.63822 9.493213 52.40516 9.494538 -3.766937      13.42637 
1 1 1 3  31 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  31 21 o 34.38810 7.645028 11.55485       6.778466      20.64428       8.791886      2.464704       10.31506      42.46002 10.41748 26.31617 11.19205 16.14385       15.29006 
1 1 1 3  31 22 o 27.97783 8.135410 4.527715       7.523758      9.656199       11.00226      -0.5982167     10.26547      31.66234 12.22514 24.29333 10.73711 7.369015       16.27082 
1 1 1 3  31 23 o 35.84806 8.844702 14.60828       8.083434      8.104689       10.98809      21.11186       11.85240      30.30736 12.07967 41.38876 12.92272 -11.08140      17.68940 
1 1 1 3  31 24 o 28.43714 8.365330 5.772465       8.012589      9.755382       11.01642      1.786007       11.64695      30.73172 12.14343 26.14255 11.50878 4.589169       16.73066 
1 1 1 3  31 25 o 61.46810 6.923475 44.77415       8.437660      29.06069       9.755382      60.49470       13.77230      49.70241 10.16475 73.23380 9.402969 -23.53139      13.84695 
1 1 1 3  31 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  31 27 o 20.57441 6.723545 -3.575556      6.582225      -0.5999878     9.167366      -6.551054      9.450747      21.78382 9.851401 19.36499 9.152821 2.418821       13.44709 
1 1 1 3  31 28 o 26.83269 7.041503 8.579351       5.156112      5.095185       6.901029      12.07202       7.665448      23.30483 9.457716 30.36055 10.43469 -7.055716      14.08301 
1 1 1 3  31 29 o 18.82773 6.029556 -0.4813222     4.934367      0.4628316      6.653780      -1.425405      7.289969      19.04718 8.511743 18.60828 8.542389 0.4389038      12.05911 
1 1 1 3  31 30 o 20.51227 6.402080 2.478164       5.187284      4.444118       7.318307      0.5120689      7.353730      21.77201 9.348274 19.25252 8.749645 2.519489       12.80416 
1 1 1 3  31 31 o 19.07074 6.053989 1.747751       4.838726      0.3784550E-01  6.833017      3.457245       6.852146      17.99400 8.264563 20.14747 8.848736 -2.153465      12.10798 
1 1 1 3  32 0  o 65.05639 7.932386 44.68206       10.06710      44.68206       10.06710      44.68206       10.06710      65.05639 7.932386 65.05639 7.932386 -0.000000      0.000000 
1 1 1 3  32 1  o 115.3458 3.718611 134.6767       8.565183      143.8157       12.12161      125.4668       12.10036      119.3216 5.079385 111.3699 5.432506 7.951683       7.437222 
1 1 1 3  32 2  o 56.56050 6.743717 34.58662       7.226208      46.29024       10.41424      22.87591       10.02459      67.25286 7.742601 45.86813 11.04369 21.38473       13.48743 
1 1 1 3  32 3  o 124.8077 3.537070 157.4888       8.820225      168.6115       12.68837      146.3661       12.26330      129.2428 4.908734 120.3725 5.093896 8.870308       7.074140 
1 1 1 3  32 4  o 66.37245 5.414724 45.07170       7.183701      44.52619       10.25838      45.61721       10.06710      65.94710 7.777736 66.79781 7.535501 -0.8507156     10.82945 
1 1 1 3  32 5  o 27.24796 8.020982 1.856144       7.417490      -3.198660      9.762465      6.910239       11.15812      23.20328 10.34113 31.29263 12.26400 -8.089352      16.04196 
1 1 1 3  32 6  o 117.0783 3.972817 138.8566       9.301972      140.4151       13.24096      137.3688       13.07094      117.7188 5.623980 116.4379 5.612838 1.280968       7.945634 
1 1 1 3  32 7  o 45.89744 8.843667 23.32932       8.345562      22.03993       11.50526      24.62578       12.08619      44.67898 12.42929 47.11589 12.58390 -2.436909      17.68733 
1 1 1 3  32 8  o 37.23756 9.861449 10.91016       10.52051      1.954618       15.26714      19.86499       14.48075      31.60724 13.53437 42.86788 14.34621 -11.26064      19.72290 
1 1 1 3  32 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  32 10 o 52.53867 8.968745 31.23564       9.330310      28.70647       13.17720      33.76481       13.21263      50.25883 13.01085 54.81850 12.34792 -4.559669      17.93749 
1 1 1 3  32 11 o 130.2343 3.815928 172.3663       9.939578      177.8922       14.09819      166.8404       14.00609      132.3490 5.326143 128.1196 5.466024 4.229416       7.631855 
1 1 1 3  32 12 o 70.61774 5.435074 51.73824       7.630026      44.12238       10.59844      59.36118       10.98100      65.26273 8.119824 75.97276 7.226934 -10.71002      10.87015 
1 1 1 3  32 13 o 37.17909 8.413465 14.87040       7.098687      16.55652       10.05293      13.18429       10.03168      38.84362 11.85606 35.51456 11.94066 3.329063       16.82693 
1 1 1 3  32 14 o 92.50650 4.244586 87.77718       7.849646      77.71716       10.66928      97.83719       11.51234      87.14761 6.121386 97.86538 5.881723 -10.71777      8.489172 
1 1 1 3  32 15 o 56.72966 7.358960 35.55011       8.097604      44.58995       11.76738      26.51026       11.11561      65.00676 9.050892 48.45257 11.60597 16.55419       14.71792 
1 1 1 3  32 16 o 52.57113 7.346855 30.42092       7.587519      35.35883       11.00934      25.49010       10.44258      57.59539 9.557485 47.54686 11.16063 10.04853       14.69371 
1 1 1 3  32 17 o 21.71782 7.164543 -8.919409      7.743378      -4.974040      10.72596      -12.85840      11.17937      23.00558 10.48506 20.43006 9.766587 2.575520       14.32909 
1 1 1 3  32 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  32 19 o 66.40874 6.964559 48.31641       9.266549      50.06629       14.43116      46.56654       11.63278      67.05318 10.76098 65.76431 8.844296 1.288879       13.92912 
1 1 1 3  32 20 o 50.77303 7.481595 29.56369       7.467082      36.99535       10.03876      22.12495       11.06602      58.59242 8.566605 42.95362 12.26827 15.63880       14.96319 
1 1 1 3  32 21 o 60.60369 5.344635 39.16322       6.479500      39.00027       8.997337      39.32616       9.323226      60.54071 7.430816 60.66667 7.683976 -0.1259651     10.68927 
1 1 1 3  32 22 o 56.39654 5.667818 34.78498       6.369689      37.12996       8.855647      32.44001       9.160281      58.56343 7.560731 54.22964 8.445827 4.333797       11.33564 
1 1 1 3  32 23 o 26.95971 7.595286 6.406529       6.149361      5.813555       8.543928      7.000212       8.848563      26.37193 10.59695 27.54748 10.88385 -1.175547      15.19057 
1 1 1 3  32 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  32 25 o 32.68935 8.959983 17.23663       8.451830      15.58594       12.41208      18.88733       11.47692      31.31214 12.69348 34.06655 12.64914 -2.754408      17.91997 
1 1 1 3  32 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  32 27 o 39.11187 8.351274 22.47209       7.502505      14.43825       10.40716      30.49885       10.81806      31.66354 11.98108 46.56019 11.63738 -14.89664      16.70255 
1 1 1 3  32 28 o 21.50486 6.750142 1.471454       6.018298      -6.678575      7.353730      9.620775       9.528677      16.14585 7.766999 26.86388 11.04225 -10.71804      13.50028 
1 1 1 3  32 29 o 18.13618 5.967289 -1.941866      5.318347      1.028672       7.282885      -4.913113      7.757547      19.34812 8.763642 16.92424 8.101402 2.423874       11.93458 
1 1 1 3  32 30 o 26.94657 6.595592 11.10144       4.510713      7.530843       6.328599      14.67204       6.429200      22.96242 9.162638 30.93073 9.489647 -7.968307      13.19118 
1 1 1 3  33 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  33 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  33 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  33 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  33 4  o 52.91301 10.83536 33.07761       13.56685      9.975000       16.66279      56.18731       21.41650      36.78369 14.79127 69.04234 15.83789 -32.25864      21.67073 
1 1 1 3  33 5  o 68.83667 7.453162 50.53387       10.31506      56.10229       15.87640      44.96543       13.18429      72.47887 10.95244 65.19447 10.11151 7.284393       14.90632 
1 1 1 3  33 6  o 103.1236 4.607017 109.1016       9.486169      98.26226       13.17720      119.9409       13.63770      97.90949 6.729278 108.3378 6.294065 -10.42826      9.214034 
1 1 1 3  33 7  o 24.08257 7.716647 -6.080641      8.210957      -10.83931      12.56085      -1.321263      10.58427      23.09401 10.82071 25.07112 11.00449 -1.977114      15.43329 
1 1 1 3  33 8  o 99.48575 4.363534 101.0961       8.685618      97.55381       12.11453      104.5675       12.44041      97.75069 6.196645 101.2208 6.145186 -3.470116      8.727068 
1 1 1 3  33 9  o 58.41469 6.838627 36.75448       7.693786      44.23573       10.99517      29.27323       10.75430      65.22128 8.429129 51.60810 10.77112 13.61319       13.67725 
1 1 1 3  33 10 o 110.9286 3.840826 125.1834       8.522675      127.7339       11.97992      122.7038       12.11453      112.0730 5.344693 109.7841 5.517430 2.288918       7.681652 
1 1 1 3  33 11 o 49.23196 7.204127 26.97784       7.025717      16.22355       9.932493      37.72506       9.939578      38.33206 11.80214 60.13186 8.264820 -21.79979      14.40825 
1 1 1 3  33 12 o 44.19568 7.242424 21.69988       6.741627      11.24313       9.316141      32.15663       9.748297      33.11497 11.49163 55.27639 8.817775 -22.16142      14.48485 
1 1 1 3  33 13 o 69.00592 5.114458 49.42868       7.052638      46.73656       9.889987      52.12080       10.06001      67.07718 7.372096 70.93466 7.091044 -3.857483      10.22892 
1 1 1 3  33 14 o 56.71487 7.014544 35.01168       7.785885      36.11687       10.79680      33.89942       11.20771      58.21701 9.272896 55.21275 10.52752 3.004261       14.02909 
1 1 1 3  33 15 o 72.33585 5.977930 56.43527       8.515590      42.02536       11.49817      70.84518       12.56085      62.56779 9.188572 82.10391 7.649361 -19.53612      11.95586 
1 1 1 3  33 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  33 17 o 40.84819 7.905616 19.09278       7.580434      5.359438       10.10252      32.82257       11.29981      28.11431 11.43169 53.58208 10.92298 -25.46777      15.81123 
1 1 1 3  33 18 o 30.71925 7.499633 8.373900       6.455412      -1.870313      8.664365      18.61103       9.571183      21.72616 9.710840 39.71234 11.43143 -17.98619      14.99927 
1 1 1 3  33 19 o 74.71342 5.368307 60.38843       8.055097      46.30441       10.10961      74.45828       12.54668      65.82954 7.678626 83.59731 7.504237 -17.76777      10.73661 
1 1 1 3  33 20 o 27.84002 8.084294 5.129899       7.509589      11.42733       11.05185      -1.166820      10.15920      32.28273 12.30805 23.39730 10.48500 8.885422       16.16859 
1 1 1 3  33 21 o 83.52183 6.782753 81.40111       10.01042      52.45377       14.92708      110.3768       13.35432      65.27161 11.87340 101.7720 6.560896 -36.50044      13.56551 
1 1 1 3  33 22 o 23.29981 7.460563 -6.978959      8.317224      -22.65629      11.76738      8.699788       11.75322      17.39745 8.651772 29.20218 12.15676 -11.80473      14.92113 
1 1 1 3  33 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  33 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  33 25 o 19.92326 6.594659 -4.422156      6.594269      0.2164320      9.727042      -9.061099      8.905238      22.29887 10.11262 17.54764 8.467176 4.751230       13.18932 
1 1 1 3  33 26 o 21.24557 6.589752 1.289382       5.623690      -5.579058      7.261631      8.154280       8.586436      16.59201 7.917362 25.89913 10.53635 -9.307123      13.17950 
1 1 1 3  33 27 o 20.12784 6.101614 -2.144484      5.299928      9.294888       7.219123      -13.58102      7.764632      25.99257 9.936535 14.26312 7.084068 11.72945       12.20323 
1 1 1 3  33 28 o 22.38029 6.693667 5.834808       5.213497      5.640693       8.019674      6.028925       6.660155      22.45035 9.715012 22.31022 9.210825 0.1401310      13.38733 
1 1 1 3  34 0  o 20.08162 12.58033 3.329015       10.17337      3.329015       10.17337      3.329015       10.17337      20.08162 12.58033 20.08162 12.58033 -0.000000      0.000000 
1 1 1 3  34 1  o 30.93455 7.916436 7.098687       6.930075      -0.8203872     10.03876      15.01209       9.557014      24.67087 10.77366 37.19822 11.60207 -12.52736      15.83287 
1 1 1 3  34 2  o 37.33533 7.753798 13.38974       7.240376      25.24922       9.826226      1.538049       10.64095      47.90677 10.54067 26.76390 11.37452 21.14287       15.50760 
1 1 1 3  34 3  o 107.1555 4.063382 117.0362       8.706873      112.3605       12.16412      121.7829       12.46167      104.9820 5.793431 109.3289 5.699162 -4.346962      8.126763 
1 1 1 3  34 4  o 98.76489 4.359993 99.75002       8.614774      100.8835       12.12869      98.61649       12.22788      99.34782 6.104157 98.18197 6.227150 1.165848       8.719985 
1 1 1 3  34 5  o 87.63545 4.673127 78.85069       8.189702      79.06322       11.56193      78.63815       11.60444      87.76101 6.587170 87.50990 6.630358 0.2511063      9.346253 
1 1 1 3  34 6  o 26.43967 7.754322 1.846225       6.998795      -3.572722      9.840395      7.268716       9.953747      22.80594 10.26576 30.07340 11.62464 -7.267464      15.50864 
1 1 1 3  34 7  o 120.2493 4.005874 147.7830       9.656199      138.8566       12.82298      156.7095       14.43825      116.6878 5.494567 123.8109 5.830767 -7.123093      8.011748 
1 1 1 3  34 8  o 70.75887 5.379185 52.07121       7.608772      49.59871       10.71888      54.53662       10.79680      69.02433 7.764564 72.49342 7.446748 -3.469086      10.75837 
1 1 1 3  34 9  o 25.51535 7.653236 1.377939       6.854979      -1.500501      9.528677      4.255670       9.861650      23.47099 10.36287 27.55971 11.26495 -4.088724      15.30647 
1 1 1 3  34 10 o 32.37204 8.582806 9.762465       7.545012      8.154280       10.27963      11.37065       11.03768      30.80989 11.83422 33.93419 12.43421 -3.124300      17.16561 
1 1 1 3  34 11 o 23.65109 7.516812 -3.178115      7.445828      -4.172781      10.46383      -2.183449      10.59135      23.07295 10.47290 24.22923 10.78555 -1.156288      15.03362 
1 1 1 3  34 12 o 31.71615 8.643619 9.124859       7.764632      8.798972       11.09435      9.450747       10.86765      31.53265 12.25526 31.89965 12.19250 -0.3670006     17.28724 
1 1 1 3  34 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  34 14 o 22.98057 7.187009 -1.659903      6.621899      -5.337476      9.195704      2.018379       9.528677      20.71885 9.545610 25.24229 10.74680 -4.523438      14.37402 
1 1 1 3  34 15 o 28.52056 7.898965 6.843644       6.557429      6.984626       8.933578      6.703371       9.606606      28.38003 11.00399 28.66109 11.33521 -0.2810593     15.79793 
1 1 1 3  34 16 o 32.70795 7.614313 10.76138       6.492253      19.22738       9.004422      2.297509       9.351563      40.42304 10.89140 24.99286 10.64371 15.43018       15.22863 
1 1 1 3  34 17 o 28.60027 7.552065 7.007296       6.252087      0.4777090E-01  8.465999      13.96358       9.202788      22.53054 9.865914 34.66999 11.43672 -12.13945      15.10413 
1 1 1 3  34 18 o 27.24863 7.761690 6.361189       6.505004      5.691702       9.004422      7.030676       9.386987      26.59291 10.79943 27.90434 11.15113 -1.311430      15.52338 
1 1 1 3  34 19 o 34.85512 7.867170 13.99192       6.813181      22.37999       9.613690      5.609521       9.656199      42.70248 11.14061 27.00775 11.11109 15.69474       15.73434 
1 1 1 3  34 20 o 33.90313 9.130513 15.21754       8.692703      17.88841       11.97283      12.54668       12.61044      35.88006 12.96943 31.92620 12.85531 3.953867       18.26103 
1 1 1 3  34 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  34 22 o 32.11914 8.439541 13.46767       7.346645      9.238212       9.875818      17.69004       10.88182      28.61242 11.43625 35.62585 12.41433 -7.013432      16.87908 
1 1 1 3  34 23 o 21.00014 6.746145 -1.334723      6.405112      1.900068       7.970083      -4.569514      10.02459      21.68475 9.533488 20.31552 9.547487 1.369225       13.49229 
1 1 1 3  34 24 o 25.37794 7.343640 5.003795       6.612689      -4.842268      9.011506      14.84915       9.677451      18.96191 8.952305 31.79398 11.64356 -12.83207      14.68728 
1 1 1 3  34 25 o 30.83451 7.768662 14.09111       6.480917      21.86991       9.684536      6.320098       8.614774      37.50207 11.67568 24.16696 10.25119 13.33512       15.53732 
1 1 1 3  34 26 o 20.60020 6.338276 -0.8104688     5.729958      -10.15211      8.898154      8.529759       7.219123      16.30919 8.001771 24.89121 9.831919 -8.582024      12.67655 
1 1 1 3  34 27 o 22.23915 6.553302 6.382442       4.897527      4.395235       7.026425      8.366816       6.824516      20.65539 9.016837 23.82291 9.512081 -3.167519      13.10660 
1 1 1 3  35 0  o 16.11493 10.84607 -2.590808      9.649114      -2.590808      9.649114      -2.590808      9.649114      16.11493 10.84607 16.11493 10.84607 -0.000000      0.000000 
1 1 1 3  35 1  o 45.59762 7.455826 23.44267       6.752962      29.78331       9.705790      17.09494       9.394071      52.16442 9.666096 39.03082 11.35447 13.13360       14.91165 
1 1 1 3  35 2  o 91.43515 4.426851 86.28942       8.069265      75.59180       11.15103      96.98705       11.66820      85.64353 6.510142 97.22677 6.000508 -11.58324      8.853703 
1 1 1 3  35 3  o 49.44596 7.523438 27.33916       7.226208      29.86833       10.42841      24.81706       10.01042      51.88213 10.41694 47.00979 10.85799 4.872334       15.04688 
1 1 1 3  35 4  o 60.10901 7.649047 39.96377       8.940661      34.33157       12.63878      45.59596       12.64586      54.93009 11.84223 65.28793 9.684689 -10.35784      15.29809 
1 1 1 3  35 5  f 25.95505 7.764098 2.094892       6.959122      2.894026       10.01042      1.296467       9.670367      26.66069 11.16652 25.24941 10.79044 1.411276       15.52820 
1 1 1 3  35 6  o 35.88953 9.207145 12.50417       8.883986      7.467082       13.41099      17.54835       11.64695      32.41122 13.17379 39.36784 12.86613 -6.956627      18.41429 
1 1 1 3  35 7  o 65.66580 6.704185 46.48152       8.763549      41.84116       12.44750      51.12188       12.33415      62.10995 10.02053 69.22165 8.909167 -7.111698      13.40837 
1 1 1 3  35 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  35 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  35 10 o 38.71776 9.760781 5.236876       13.09927      -20.35382      21.55819      30.82474       14.89166      27.77446 13.34573 49.66106 14.24720 -21.88660      19.52156 
1 1 1 3  35 11 o 25.92974 7.687809 1.929823       6.986042      7.970083       10.34340      -4.112563      9.394071      30.26072 11.81835 21.59875 9.835455 8.661972       15.37562 
1 1 1 3  35 12 o 76.30954 4.937239 61.70615       7.452912      49.61288       10.27963      73.82067       10.79680      68.47101 7.506561 84.14806 6.415362 -15.67706      9.874478 
1 1 1 3  35 13 o 36.52285 7.547532 14.70746       6.731709      3.589725       9.358648      25.83015       9.677451      25.88501 10.81641 47.16069 10.52930 -21.27569      15.09506 
1 1 1 3  35 14 o 35.93299 7.288737 13.09927       6.995961      29.34407       10.45675      -3.150485      9.294888      50.15050 10.73660 21.71548 9.860431 28.43502       14.57747 
1 1 1 3  35 15 o 33.44328 7.758828 12.10036       6.680700      20.67971       9.415324      3.522423       9.479085      41.29012 11.14258 25.59644 10.80003 15.69368       15.51766 
1 1 1 3  35 16 f 22.49988 7.247218 -5.576224      7.622942      3.127106       10.42133      -14.28239      11.12978      25.84098 11.12695 19.15878 9.288687 6.682198       14.49444 
1 1 1 3  35 17 o 84.90829 5.497535 78.42561       9.273635      85.65182       12.77339      71.27025       13.44641      89.32919 7.149615 80.48741 8.353117 8.841774       10.99507 
1 1 1 3  35 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  35 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  35 20 o 33.93941 8.898355 15.98267       8.048012      14.09111       10.80389      17.87424       11.92324      32.49268 12.23114 35.38614 12.92757 -2.893463      17.79671 
1 1 1 3  35 21 o 24.48909 7.078534 5.241835       5.754754      0.1638649E-01  7.885069      10.46383       8.380984      20.42486 9.191928 28.55333 10.76713 -8.128469      14.15707 
1 1 1 3  35 22 o 23.55010 6.691408 3.403403       5.495461      11.73196       7.814223      -4.923031      7.729208      29.50463 10.49617 17.59558 8.302423 11.90906       13.38282 
1 1 1 3  35 23 o 22.80201 6.434306 3.287216       5.119273      11.68946       7.261631      -5.112188      7.219123      28.96616 10.13665 16.63787 7.927765 12.32830       12.86861 
1 1 1 3  35 24 o 18.29074 5.945786 -1.078264      5.080307      -3.721497      7.275800      1.565678       7.091603      16.97646 8.027174 19.60502 8.773481 -2.628555      11.89157 
1 1 1 3  35 25 o 25.45501 6.808053 9.472000       4.881941      12.51126       6.969040      6.429908       6.839394      28.40656 9.931335 22.50347 9.314878 5.903090       13.61611 
1 1 1 3  36 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  36 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  36 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  36 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  36 4  o 38.56480 8.217052 15.19629       8.232210      30.01002       11.54776      0.3815721      11.74613      50.66028 11.63567 26.46932 11.60564 24.19096       16.43410 
1 1 1 3  36 5  o 28.65861 8.320315 4.871314       7.757547      8.416408       10.85348      1.329764       11.08727      30.91426 12.09957 26.40296 11.42414 4.511307       16.64063 
1 1 1 3  36 6  o 36.43686 8.542872 14.62245       7.523758      19.19196       10.18045      10.05293       11.08727      40.53365 11.82935 32.34007 12.32839 8.193584       17.08574 
1 1 1 3  36 7  o 33.79223 8.335922 12.24205       7.105771      7.438744       9.762465      17.04535       10.33631      29.35416 11.47811 38.23030 12.09146 -8.876135      16.67184 
1 1 1 3  36 8  o 22.42463 7.213310 -3.805095      7.119940      -2.512170      9.967916      -5.098727      10.17337      22.92869 10.32593 21.92056 10.07485 1.008125       14.42662 
1 1 1 3  36 9  o 28.81938 8.130776 6.915198       7.054762      7.112856       9.812057      6.716123       10.14503      28.85373 11.44175 28.78503 11.55528 0.6869507E-01  16.26155 
1 1 1 3  36 10 o 33.14410 8.203199 11.80281       6.996669      17.40666       10.04585      6.202496       9.741212      38.19898 11.89125 28.08923 11.30345 10.10975       16.40640 
1 1 1 3  36 11 o 25.84541 7.661194 3.158986       6.782717      6.677866       9.571183      -0.3603186     9.613690      28.17884 11.26034 23.51197 10.39136 4.666874       15.32239 
1 1 1 3  36 12 f 28.02181 8.349159 5.050553       8.069265      1.025838       10.81097      9.075267       11.97992      25.16256 11.08265 30.88107 12.49035 -5.718508      16.69832 
1 1 1 3  36 13 o 61.01292 6.929259 42.83300       8.458915      41.50819       11.57610      44.16489       12.34123      60.21789 9.611847 61.80794 9.983532 -1.590046      13.85852 
1 1 1 3  36 14 o 25.84148 7.937401 -0.4309513     8.118857      -10.82514      10.90307      9.960832       12.04368      20.12712 9.627349 31.55584 12.62234 -11.42872      15.87480 
1 1 1 3  36 15 o 40.61465 9.039445 23.37891       8.820225      12.65295       11.98701      34.11195       12.93633      31.77837 12.63225 49.45094 12.93339 -17.67257      18.07889 
1 1 1 3  36 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  36 17 o 24.82495 7.608555 4.526299       6.987460      3.025798       9.712874      6.026091       10.04585      23.82395 10.49787 25.82595 11.01613 -2.001999      15.21711 
1 1 1 3  36 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  36 19 o 24.45664 6.636954 0.7026425      5.892194      -14.83498      7.920490      16.24480       8.728126      14.57129 7.223207 34.34200 11.13651 -19.77070      13.27391 
1 1 1 3  36 20 o 29.68424 7.260052 11.29272       5.801512      3.939700       8.076350      18.64645       8.331393      22.79243 9.804619 36.57606 10.70994 -13.78363      14.52010 
1 1 1 3  36 21 o 20.79387 6.515520 1.943992       5.387067      0.4893985      7.523758      3.398443       7.715039      19.79659 8.940180 21.79116 9.480568 -1.994572      13.03104 
1 1 1 3  36 22 o 16.08012 5.472985 -6.099770      5.190826      -5.034258      7.431659      -7.162447      7.247461      16.60673 7.944615 15.55352 7.529764 1.053211       10.94597 
1 1 1 3  36 23 o 21.57111 6.391043 3.923406       5.054803      10.50634       7.332476      -2.660945      6.959122      26.28945 10.02464 16.85278 7.930208 9.436670       12.78209 
1 1 1 3  37 0  o 19.27790 12.81720 -0.2319471     12.61044      -0.2319471     12.61044      -0.2319471     12.61044      19.27790 12.81720 19.27790 12.81720 -0.000000      0.000000 
1 1 1 3  37 1  o 35.13641 9.160759 12.92925       8.862731      17.65462       11.46984      8.203872       13.51017      38.34684 12.76791 31.92597 13.13996 6.420874       18.32152 
1 1 1 3  37 2  o 63.62069 6.969530 45.63138       8.650196      52.33333       12.70254      38.92942       11.74613      69.03773 9.199709 58.20364 10.47200 10.83410       13.93906 
1 1 1 3  37 3  o 48.54082 9.270487 29.50702       9.337394      24.92334       10.98809      34.09778       15.09711      45.45470 11.93439 51.62695 14.18936 -6.172253      18.54097 
1 1 1 3  37 4  o 45.76116 7.824754 24.76748       7.119940      27.83507       9.861650      21.69988       10.27255      49.03756 10.37413 42.48476 11.71685 6.552799       15.64951 
1 1 1 3  37 5  o 25.66628 7.210766 0.4951370      6.575140      12.80881       9.457831      -11.81698      9.139028      33.52094 11.58386 17.81163 8.590384 15.70930       14.42153 
1 1 1 3  37 6  f 26.78831 7.586930 3.129940       6.872690      12.27747       9.769550      -6.018298      9.663282      32.91037 11.73329 20.66626 9.621643 12.24411       15.17386 
1 1 1 3  37 7  o 38.88589 8.287708 18.70313       7.091603      14.58702       9.776634      22.81923       10.26547      34.80725 11.78791 42.96453 11.65288 -8.157280      16.57542 
1 1 1 3  37 8  o 22.23726 7.238252 -5.233334      7.679617      -0.5856771     9.521592      -9.882903      12.05785      22.90782 10.21101 21.56669 10.26179 1.341125       14.47650 
1 1 1 3  37 9  o 33.33558 8.976857 12.61044       8.473083      16.38649       11.71779      8.841478       12.24205      36.06349 12.85080 30.60767 12.53765 5.455824       17.95371 
1 1 1 3  37 10 o 38.14034 9.224124 17.68296       9.294888      29.97460       13.85732      5.396277       12.39082      47.46762 13.78457 28.81306 12.26065 18.65456       18.44825 
1 1 1 3  37 11 o 44.32066 9.475014 26.21272       9.301972      20.01376       12.80881      32.41875       13.48892      39.05304 13.48213 49.58828 13.31675 -10.53524      18.95003 
1 1 1 3  37 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  37 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  37 14 o 26.72782 7.815496 6.426365       7.289969      -2.036799      9.953747      14.89166       10.64095      21.30035 9.858242 32.15529 12.13025 -10.85494      15.63099 
1 1 1 3  37 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  37 16 o 32.62959 7.854801 14.66495       6.393069      9.351563       8.869816      19.98542       9.209873      27.56994 10.89559 37.68924 11.31715 -10.11930      15.70960 
1 1 1 3  37 17 o 34.43471 7.562210 16.08894       5.767506      17.17996       8.048012      15.00501       8.267632      35.72610 10.54707 33.14331 10.84008 2.582798       15.12442 
1 1 1 3  37 18 o 18.17892 5.969195 -2.751626      5.287176      -1.397067      7.289969      -4.106186      7.658363      18.65364 8.554479 17.70420 8.327428 0.9494362      11.93839 
1 1 1 3  37 19 o 18.50553 6.006524 -3.064054      5.316222      -10.60552      7.247461      4.479541       7.778800      14.57979 7.175170 22.43127 9.634845 -7.851481      12.01305 
1 1 1 3  37 20 o 24.23484 6.964953 7.587519       5.318347      6.126691       7.573349      9.046929       7.467082      23.02851 9.681961 25.44117 10.01509 -2.412664      13.92991 
1 1 1 3  37 21 f 19.17687 6.133868 0.9479085      5.151153      4.296760       7.289969      -2.400943      7.282885      21.09267 9.196257 17.26108 8.119496 3.831585       12.26774 
1 1 1 3  38 0  o 21.33888 12.99156 6.290343       10.18045      6.290343       10.18045      6.290343       10.18045      21.33888 12.99156 21.33888 12.99156 0.000000       0.000000 
1 1 1 3  38 1  o 36.50718 8.685147 16.47859       7.630026      20.34674       10.81806      12.60336       10.76138      40.01883 12.31614 32.99554 12.24908 7.023293       17.37029 
1 1 1 3  38 2  o 39.51947 7.569421 17.74672       7.601687      0.9897071      10.68345      34.50160       10.82514      24.99985 11.01376 54.03910 10.38661 -29.03925      15.13884 
1 1 1 3  38 3  o 26.92290 8.161040 1.749167       8.303054      -4.667280      12.64586      8.168448       10.77555      24.19149 11.16395 29.65431 11.90700 -5.462812      16.32208 
1 1 1 3  38 4  o 27.02665 8.546487 -6.513506      10.47092      11.25730       14.86332      -24.28573      14.74997      33.54842 13.79071 20.50487 10.09881 13.04355       17.09297 
1 1 1 3  38 5  o 52.20227 10.53823 37.88800       11.55485      38.45476       15.91891      37.32124       16.74780      52.97562 14.57503 51.42893 15.22453 1.546692       21.07647 
1 1 1 3  38 6  o 42.81799 10.24588 26.41108       11.33523      36.82533       15.23880      16.00393       16.79031      50.43193 14.39431 35.20404 14.58480 15.22789       20.49177 
1 1 1 3  38 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  38 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  38 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  38 10 o 23.70647 7.448924 -1.104476      7.835476      11.29981       10.93850      -13.51017      11.22188      29.02242 11.86365 18.39052 9.011091 10.63190       14.89785 
1 1 1 3  38 11 o 29.92878 8.103106 10.87473       6.811764      8.664365       9.450747      13.08510       9.812057      28.05745 11.19656 31.80011 11.71659 -3.742659      16.20621 
1 1 1 3  38 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  38 13 o 25.40558 7.438969 6.494378       6.184784      6.653780       8.508506      6.334976       8.976085      25.41270 10.43818 25.39846 10.60177 0.1424408E-01  14.87794 
1 1 1 3  38 14 o 24.27749 6.730036 2.273422       5.814264      13.85023       8.189702      -9.309056      8.253463      31.92498 10.78887 16.63001 8.048212 15.29497       13.46007 
1 1 1 3  38 15 o 30.61454 7.613772 13.06385       5.979333      16.73363       8.260548      9.394071       8.643111      34.23756 10.80739 26.99153 10.72746 7.246029       15.22754 
1 1 1 3  38 16 o 17.96484 5.971935 -3.488416      5.480583      -4.879816      7.495420      -2.096309      7.998421      17.05638 8.103844 18.87330 8.774038 -1.816923      11.94387 
1 1 1 3  38 17 o 21.50496 6.619092 3.274464       5.464289      -0.6506421     7.573349      7.197870       7.877984      18.85782 8.677865 24.15209 9.997209 -5.294271      13.23818 
1 1 1 3  38 18 o 22.34158 6.646965 4.516380       5.409029      -2.002085      7.367898      11.03768       7.920490      17.73768 8.306770 26.94549 10.37912 -9.207804      13.29393 
1 1 1 3  38 19 o 20.45176 6.405811 3.660570       5.205703      3.878774       7.530843      3.443075       7.190785      20.67961 9.160913 20.22392 8.956303 0.4556904      12.81162 
1 1 1 3  39 0  f 63.29390 16.89752 61.74158       18.44100      61.74158       18.44100      61.74158       18.44100      63.29390 16.89752 63.29390 16.89752 -0.000000      0.000000 
1 1 1 3  39 1  o 27.60367 8.646373 9.216957       9.493254      6.656613       13.41808      11.77447       13.42516      26.38289 11.92555 28.82445 12.52279 -2.441553      17.29275 
1 1 1 3  39 2  o 32.15353 9.596631 16.44317       10.87473      3.093809       12.87965      29.79040       17.52710      25.33412 11.53109 38.97293 15.34325 -13.63882      19.19326 
1 1 1 3  39 3  o 44.47452 8.874556 29.01818       8.671450      18.88733       11.78155      39.14904       12.73796      35.74874 12.87099 53.20030 12.22165 -17.45156      17.74911 
1 1 1 3  39 4  o 22.30199 7.201770 -1.526714      7.183701      1.073305       10.40716      -4.127440      9.904156      23.75861 10.63041 20.84538 9.718870 2.913231       14.40354 
1 1 1 3  39 5  f 26.80613 7.940585 4.893985       7.644195      10.83223       9.939578      -1.041424      11.60444      29.88938 11.60336 23.72288 10.84313 6.166506       15.88117 
1 1 1 3  39 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  39 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 3  39 8  o 19.27981 6.494613 -6.869856      6.998795      -8.756464      10.44966      -4.986792      9.316141      19.15709 9.226107 19.40252 9.143246 -0.2454357     12.98923 
1 1 1 3  39 9  o 24.90826 7.638218 4.553220       7.064682      6.038843       9.982086      3.066888       9.996255      25.78841 10.99002 24.02812 10.61079 1.760284       15.27644 
1 1 1 3  39 10 o 21.04328 6.847902 -1.616687      6.653780      -0.1413361     9.153197      -3.092392      9.663282      21.51169 9.772444 20.57487 9.595542 0.9368248      13.69580 
1 1 1 3  39 11 o 23.51698 7.103109 2.059469       6.529800      11.71071       9.379901      -7.594603      9.089437      29.05927 11.27383 17.97469 8.643922 11.08458       14.20622 
1 1 1 3  39 12 o 20.07504 6.604024 -2.837349      6.566639      1.713036       9.039845      -7.389152      9.521592      21.82665 9.831347 18.32343 8.820269 3.503220       13.20805 
1 1 1 3  39 13 o 24.12238 7.147891 6.242169       5.885818      8.636027       8.140111      3.848310       8.501422      25.78075 10.35009 22.46400 9.861282 3.316751       14.29578 
1 1 1 3  39 14 o 31.88397 7.056273 14.74288       5.664781      6.291760       7.877984      23.18763       8.140111      23.40203 9.858566 40.36591 10.09815 -16.96388      14.11255 
1 1 1 3  39 15 o 26.40042 7.066500 9.698705       5.464997      14.74997       7.658363      4.648860       7.800055      30.88443 10.43302 21.91642 9.533822 8.968008       14.13300 
1 1 1 3  39 16 o 24.80189 7.014046 9.146112       5.260254      9.592437       7.644195      8.699788       7.226208      25.16363 10.05995 24.44015 9.776742 0.7234802      14.02809 
1 1 1 3  40 0  o 42.56301 12.53135 25.05794       9.259464      25.05794       9.259464      25.05794       9.259464      42.56301 12.53135 42.56301 12.53135 -0.000000      0.000000 
1 1 1 3  40 1  o 22.31496 7.001292 1.855435       6.232251      0.6514923E-01  8.402238      3.644984       9.202788      20.94114 9.452884 23.68878 10.33031 -2.747644      14.00258 
1 1 1 3  40 2  o 27.23401 7.951321 8.402238       7.091603      5.262380       9.826226      11.54776       10.23713      25.00094 10.78535 29.46708 11.68633 -4.466137      15.90264 
1 1 1 3  40 3  o 25.79567 7.511798 4.827391       6.956288      13.95650       9.677451      -4.301011      9.996255      31.33496 11.61917 20.25638 9.523835 11.07858       15.02360 
1 1 1 3  40 4  o 32.06441 8.966919 15.50093       8.763549      20.64428       12.26330      10.35048       12.52543      35.54698 13.09846 28.58185 12.24961 6.965128       17.93384 
1 1 1 3  40 5  o 30.65374 7.875614 12.14286       7.119940      1.815053       10.01042      22.47209       10.12378      22.75161 10.29146 38.55588 11.92422 -15.80427      15.75123 
1 1 1 3  40 6  o 19.76148 6.420181 -1.125021      5.836226      -1.894400      8.182618      -0.3550760     8.324308      19.30284 8.935472 20.22012 9.221292 -0.9172821     12.84036 
1 1 1 3  40 7  o 24.24359 7.223623 5.897861       6.071432      2.916696       8.536844      8.876901       8.636027      22.14526 9.789097 26.34192 10.62528 -4.196655      14.44725 
1 1 1 3  40 8  o 20.33567 6.528537 0.3764713      5.807888      -1.962411      7.913406      2.715496       8.501422      18.82452 8.742073 21.84682 9.698627 -3.022299      13.05707 
1 1 1 3  40 9  o 23.93344 7.141846 6.082059       5.994919      9.209873       8.331393      2.952118       8.621859      26.05223 10.46605 21.81466 9.720373 4.237579       14.28369 
1 1 1 3  40 10 o 26.35583 7.407947 9.762465       5.988543      6.069307       8.373900      13.46058       8.558097      23.37230 10.01637 29.33937 10.91710 -5.967064      14.81589 
1 1 1 3  40 11 o 20.93700 6.542081 2.196200       5.630066      7.233293       7.927575      -2.839475      7.998421      23.86879 9.963305 18.00521 8.481028 5.863571       13.08416 
1 1 1 3  40 12 o 22.80355 6.469114 3.215663       5.457204      -7.948828      7.686701      14.38157       7.750463      15.57207 7.592912 30.03502 10.47595 -14.46295      12.93823 
1 1 1 3  40 13 o 20.96120 6.487109 2.529881       5.617314      11.68237       8.395153      -6.621899      7.467082      26.36223 10.54111 15.56016 7.564086 10.80207       12.97422 
1 1 1 3  41 0  o 38.31062 12.44071 22.02577       8.402238      22.02577       8.402238      22.02577       8.402238      38.31062 12.44071 38.31062 12.44071 0.000000       0.000000 
1 1 1 3  41 1  o 20.91330 6.656298 2.242958       5.858188      1.343933       8.133026      3.141984       8.437660      20.30401 9.220604 21.52259 9.602378 -1.218575      13.31260 
1 1 1 3  41 2  f 21.75830 6.700190 3.061929       5.756171      -2.206827      8.260548      8.331393       8.019674      18.61469 8.731434 24.90191 10.16525 -6.287228      13.40038 
1 1 1 3  41 3  o 17.54503 5.899000 -4.181283      5.680366      -5.817098      7.842561      -2.545467      8.218040      16.69717 8.029473 18.39289 8.644094 -1.695724      11.79800 
1 1 1 3  41 4  o 21.66696 6.769886 3.856103       5.774590      3.060512       7.998421      4.651694       8.331393      21.08043 9.378653 22.25349 9.765566 -1.173063      13.53977 
1 1 1 3  41 5  o 22.47473 6.768914 4.896110       5.559929      0.1185240      7.750463      9.670367       7.970083      19.17654 8.805270 25.77292 10.28299 -6.596380      13.53783 
1 1 1 3  41 6  o 22.71624 6.995958 5.541510       6.028925      6.807514       8.090520      4.274798       8.940661      23.37002 9.924738 22.06247 9.862723 1.307558       13.99192 
1 1 1 3  41 7  o 22.23805 6.954638 4.009129       6.422115      -1.259627      9.436578      9.280719       8.713958      19.51167 9.196868 24.96443 10.43483 -5.452763      13.90928 
1 1 1 3  41 8  o 19.20042 6.384976 -0.6076390     6.332850      -1.251126      8.940661      0.3613104E-01  8.969000      18.92426 8.929373 19.47658 9.128964 -0.5523186     12.76995 
1 1 1 3  41 9  o 19.68090 6.465355 1.263878       6.172032      4.608479       8.685618      -2.080723      8.770633      21.18653 9.584764 18.17528 8.679606 3.011255       12.93071 
1 1 1 4  0  0  o 83.01492 1.966986 69.03154       3.261712      69.03154       3.261712      69.03154       3.261712      83.01492 1.966986 83.01492 1.966986 -0.000000      0.000000 
1 1 1 4  0  1  o 110.6436 1.523603 122.4913       3.370105      122.4913       3.370105      122.4913       3.370105      110.6436 1.523603 110.6436 1.523603 0.000000       0.000000 
1 1 1 4  0  2  o 692.5928 7.095470 4799.761       98.26226      4799.761       98.26226      4799.761       98.26226      692.5928 7.095470 692.5928 7.095470 -0.000000      0.000000 
1 1 1 4  0  3  o 244.5635 3.074595 598.4292       15.03335      598.4292       15.03335      598.4292       15.03335      244.5635 3.074595 244.5635 3.074595 0.000000       0.000000 
1 1 1 4  0  4  o 859.2784 8.782696 7389.152       150.9002      7389.152       150.9002      7389.152       150.9002      859.2784 8.782696 859.2784 8.782696 -0.000000      0.000000 
1 1 1 4  0  5  o 624.8398 6.413232 3906.403       80.12590      3906.403       80.12590      3906.403       80.12590      624.8398 6.413232 624.8398 6.413232 0.000000       0.000000 
1 1 1 4  0  6  o 476.4693 4.934650 2271.297       47.01286      2271.297       47.01286      2271.297       47.01286      476.4693 4.934650 476.4693 4.934650 -0.000000      0.000000 
1 1 1 4  0  7  o 457.4345 4.745742 2093.475       43.40684      2093.475       43.40684      2093.475       43.40684      457.4345 4.745742 457.4345 4.745742 -0.000000      0.000000 
1 1 1 4  0  8  o 35.61737 2.348040 12.85132       1.657777      12.85132       1.657777      12.85132       1.657777      35.61737 2.348040 35.61737 2.348040 -0.000000      0.000000 
1 1 1 4  0  9  o 299.2937 3.205851 896.1915       19.18487      896.1915       19.18487      896.1915       19.18487      299.2937 3.205851 299.2937 3.205851 0.000000       0.000000 
1 1 1 4  0  10 o 26.21188 3.248118 7.183701       1.659903      7.183701       1.659903      7.183701       1.659903      26.21188 3.248118 26.21188 3.248118 0.000000       0.000000 
1 1 1 4  0  11 o 281.7178 3.531964 794.1744       19.89333      794.1744       19.89333      794.1744       19.89333      281.7178 3.531964 281.7178 3.531964 -0.000000      0.000000 
1 1 1 4  0  12 o 57.34715 1.981780 33.00677       2.267046      33.00677       2.267046      33.00677       2.267046      57.34715 1.981780 57.34715 1.981780 0.000000       0.000000 
1 1 1 4  0  13 o 236.0059 2.652878 557.2682       12.51834      557.2682       12.51834      557.2682       12.51834      236.0059 2.652878 236.0059 2.652878 -0.000000      0.000000 
1 1 1 4  0  14 o 217.8782 2.501216 474.9461       10.89599      474.9461       10.89599      474.9461       10.89599      217.8782 2.501216 217.8782 2.501216 -0.000000      0.000000 
1 1 1 4  0  15 o 103.5484 1.849958 107.3305       3.828474      107.3305       3.828474      107.3305       3.828474      103.5484 1.849958 103.5484 1.849958 0.000000       0.000000 
1 1 1 4  0  16 o 321.2031 3.463726 1032.214       22.24539      1032.214       22.24539      1032.214       22.24539      321.2031 3.463726 321.2031 3.463726 -0.000000      0.000000 
1 1 1 4  0  17 o 1144.151 13.51815 13120.53       309.2392      13120.53       309.2392      13120.53       309.2392      1144.151 13.51815 1144.151 13.51815 -0.000000      0.000000 
1 1 1 4  0  18 o 494.4382 5.162360 2446.284       51.03687      2446.284       51.03687      2446.284       51.03687      494.4382 5.162360 494.4382 5.162360 -0.000000      0.000000 
1 1 1 4  0  19 o 140.8130 3.039454 198.5790       8.551013      198.5790       8.551013      198.5790       8.551013      140.8130 3.039454 140.8130 3.039454 0.000000       0.000000 
1 1 1 4  0  20 o 443.5726 4.677622 1968.787       41.48693      1968.787       41.48693      1968.787       41.48693      443.5726 4.677622 443.5726 4.677622 -0.000000      0.000000 
1 1 1 4  0  21 o 58.74076 3.365699 34.84874       3.926948      34.84874       3.926948      34.84874       3.926948      58.74076 3.365699 58.74076 3.365699 0.000000       0.000000 
1 1 1 4  0  22 o 818.2203 8.431009 6703.371       137.9356      6703.371       137.9356      6703.371       137.9356      818.2203 8.431009 818.2203 8.431009 -0.000000      0.000000 
1 1 1 4  0  23 o 123.7083 2.474750 153.2381       6.117482      153.2381       6.117482      153.2381       6.117482      123.7083 2.474750 123.7083 2.474750 0.000000       0.000000 
1 1 1 4  0  24 o 629.9157 6.552836 3972.998       82.53463      3972.998       82.53463      3972.998       82.53463      629.9157 6.552836 629.9157 6.552836 0.000000       0.000000 
1 1 1 4  0  25 f 319.5152 3.549725 1021.588       22.67754      1021.588       22.67754      1021.588       22.67754      319.5152 3.549725 319.5152 3.549725 -0.000000      0.000000 
1 1 1 4  0  26 o 676.9288 7.024167 4591.476       95.07423      4591.476       95.07423      4591.476       95.07423      676.9288 7.024167 676.9288 7.024167 -0.000000      0.000000 
1 1 1 4  0  27 o 169.4377 2.415739 287.3481       8.182618      287.3481       8.182618      287.3481       8.182618      169.4377 2.415739 169.4377 2.415739 0.000000       0.000000 
1 1 1 4  0  28 o 110.4476 2.817729 122.2788       6.215247      122.2788       6.215247      122.2788       6.215247      110.4476 2.817729 110.4476 2.817729 -0.000000      0.000000 
1 1 1 4  0  29 o 56.39524 3.148586 32.12120       3.528090      32.12120       3.528090      32.12120       3.528090      56.39524 3.148586 56.39524 3.148586 0.000000       0.000000 
1 1 1 4  0  30 f 251.8861 2.978058 635.1979       14.99793      635.1979       14.99793      635.1979       14.99793      251.8861 2.978058 251.8861 2.978058 0.000000       0.000000 
1 1 1 4  0  31 o 214.8634 3.176777 462.4773       13.64478      462.4773       13.64478      462.4773       13.64478      214.8634 3.176777 214.8634 3.176777 0.000000       0.000000 
1 1 1 4  0  32 o 47.02884 4.592021 22.79798       4.243626      22.79798       4.243626      22.79798       4.243626      47.02884 4.592021 47.02884 4.592021 0.000000       0.000000 
1 1 1 4  0  33 o 13.83100 8.202139 2.240124       3.856812      2.240124       3.856812      2.240124       3.856812      13.83100 8.202139 13.83100 8.202139 0.000000       0.000000 
1 1 1 4  0  34 f 49.98083 4.364687 25.62470       4.299594      25.62470       4.299594      25.62470       4.299594      49.98083 4.364687 49.98083 4.364687 0.000000       0.000000 
1 1 1 4  0  35 o 102.9563 2.348137 106.2678       4.829516      106.2678       4.829516      106.2678       4.829516      102.9563 2.348137 102.9563 2.348137 0.000000       0.000000 
1 1 1 4  0  36 o 11.64507 7.278598 0.9790803      3.381440      0.9790803      3.381440      0.9790803      3.381440      11.64507 7.278598 11.64507 7.278598 -0.000000      0.000000 
1 1 1 4  0  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  38 o 100.4771 2.447762 101.3086       4.912405      101.3086       4.912405      101.3086       4.912405      100.4771 2.447762 100.4771 2.447762 0.000000       0.000000 
1 1 1 4  0  39 o 33.44408 5.071722 11.80281       3.229123      11.80281       3.229123      11.80281       3.229123      33.44408 5.071722 33.44408 5.071722 0.000000       0.000000 
1 1 1 4  0  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  41 o 99.72129 2.305960 99.89171       4.593602      99.89171       4.593602      99.89171       4.593602      99.72129 2.305960 99.72129 2.305960 0.000000       0.000000 
1 1 1 4  0  42 f 8.259640 5.624784 -1.153360      2.713370      -1.153360      2.713370      -1.153360      2.713370      8.259640 5.624784 8.259640 5.624784 0.000000       0.000000 
1 1 1 4  0  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  0  45 o 200.4512 2.435929 405.5887       9.762465      405.5887       9.762465      405.5887       9.762465      200.4512 2.435929 200.4512 2.435929 0.000000       0.000000 
1 1 1 4  0  46 o 10.75223 7.476319 -2.749501      5.404070      -2.749501      5.404070      -2.749501      5.404070      10.75223 7.476319 10.75223 7.476319 -0.000000      0.000000 
1 1 1 4  1  0  f 195.4437 2.202716 382.1389       8.607689      382.1389       8.607689      382.1389       8.607689      195.4437 2.202716 195.4437 2.202716 -0.000000      0.000000 
1 1 1 4  1  1  o 811.3781 5.872799 6589.310       95.28677      6721.082       137.3688      6457.538       132.1971      819.4858 8.381402 803.2704 8.228681 16.21545       11.74560 
1 1 1 4  1  2  o 322.3029 2.405632 1038.590       15.50801      1031.506       21.79198      1046.383       22.06827      321.1492 3.392812 323.4566 3.411319 -2.307404      4.811265 
1 1 1 4  1  3  o 90.73434 1.122432 82.46378       2.048842      76.72533       2.553969      88.13139       3.205036      87.59193 1.457879 93.87675 1.707044 -6.284828      2.244863 
1 1 1 4  1  4  o 1218.843 9.067563 14884.57       220.6119      15132.53       275.8003      14636.61       344.3784      1229.263 11.21812 1208.422 14.24909 20.84058       18.13513 
1 1 1 4  1  5  o 335.7055 2.506207 1127.147       16.82573      1129.981       23.82524      1124.313       23.76856      336.1275 3.544077 335.2835 3.544546 0.8440552      5.012414 
1 1 1 4  1  6  o 621.0264 4.511034 3858.937       56.05270      3794.468       77.92970      3923.406       80.55096      615.8411 6.327095 626.2118 6.431607 -10.37073      9.022068 
1 1 1 4  1  7  o 179.2368 1.593507 321.2829       5.709413      320.3619       8.551013      322.2039       7.573349      178.9791 2.388830 179.4946 2.109632 -0.5154266     3.187013 
1 1 1 4  1  8  o 145.4945 1.425526 211.6854       4.143026      207.8598       6.204620      215.5819       5.491918      144.1670 2.151887 146.8221 1.870263 -2.655121      2.851053 
1 1 1 4  1  9  o 284.7087 2.349113 810.4688       13.37557      814.0111       20.32548      807.6351       17.40666      285.2623 3.562595 284.1550 3.062881 1.107330       4.698225 
1 1 1 4  1  10 o 256.4897 2.063832 658.1517       10.63386      678.3426       17.20829      638.0317       12.49709      260.4089 3.304091 252.5705 2.473981 7.838409       4.127663 
1 1 1 4  1  11 o 282.9059 2.539652 801.9674       14.16195      737.4984       22.90425      866.4365       16.65570      271.4951 4.218169 294.3168 2.829553 -22.82166      5.079303 
1 1 1 4  1  12 o 140.2422 1.457496 196.8788       4.074306      186.4645       6.005546      207.2222       5.508212      136.5410 2.199173 143.9433 1.913327 -7.402328      2.914992 
1 1 1 4  1  13 o 408.2112 3.581002 1668.404       29.11028      1633.690       48.72731      1702.410       31.85908      403.9288 6.031672 412.4936 3.861766 -8.564819      7.162004 
1 1 1 4  1  14 o 199.9387 1.725691 399.8502       6.911656      405.0219       11.10852      394.6785       8.232210      201.2263 2.760207 198.6511 2.072027 2.575180       3.451382 
1 1 1 4  1  15 o 493.6562 3.748614 2438.491       36.98827      2426.448       58.32684      2451.243       45.49677      492.3545 5.923256 494.9579 4.596025 -2.603363      7.497227 
1 1 1 4  1  16 o 44.05047 2.691094 19.69496       2.284049      24.42742       3.018004      14.96959       3.428906      49.41893 3.053491 38.68201 4.432171 10.73691       5.382188 
1 1 1 4  1  17 o 566.0123 5.076730 3207.161       57.34917      3168.905       93.09056      3245.418       67.02662      562.5392 8.274140 569.4854 5.884841 -6.946167      10.15346 
1 1 1 4  1  18 o 220.7633 1.894919 487.4148       8.366816      487.9108       13.34723      486.9897       10.09544      220.8624 3.021618 220.6643 2.287510 0.1980438      3.789839 
1 1 1 4  1  19 o 326.9118 2.709641 1069.054       17.70421      1061.261       26.77239      1076.847       23.18054      325.7127 4.109817 328.1108 3.532426 -2.398102      5.419283 
1 1 1 4  1  20 o 282.6345 2.629866 799.1337       14.83498      791.3406       24.98709      806.9266       15.99684      281.2342 4.442399 284.0347 2.816002 -2.800446      5.259731 
1 1 1 4  1  21 o 307.7637 2.528127 947.2001       15.59302      959.9522       25.03669      935.1564       18.58269      309.7624 4.041273 305.7650 3.038721 3.997406       5.056254 
1 1 1 4  1  22 o 542.1884 4.153512 2942.200       44.96543      2903.235       70.59014      2981.874       55.71973      538.5038 6.554284 545.8729 5.103727 -7.369141      8.307025 
1 1 1 4  1  23 o 194.2766 1.949857 377.6048       7.615856      390.0027       12.52543      365.2777       8.671450      197.4486 3.171819 191.1045 2.268772 6.344162       3.899713 
1 1 1 4  1  24 o 452.2751 3.525541 2048.134       32.00785      2100.560       51.63905      1995.709       37.82424      457.9948 5.637515 446.5554 4.235112 11.43945       7.051082 
1 1 1 4  1  25 o 180.5818 2.189909 326.4546       7.807138      308.6724       13.31181      344.3076       8.147196      175.6298 3.789735 185.5337 2.195611 -9.903824      4.379817 
1 1 1 4  1  26 o 324.8832 3.026714 1057.010       19.77997      1084.640       33.95610      1029.380       20.30423      329.0374 5.159914 320.7291 3.165324 8.308319       6.053428 
1 1 1 4  1  27 o 149.6586 1.968108 224.3667       5.903528      238.3940       8.813140      210.3393       7.856731      154.3385 2.855132 144.9787 2.709615 9.359848       3.936216 
1 1 1 4  1  28 o 172.8043 2.176076 299.3209       7.382068      277.5714       12.60336      321.0703       7.693786      166.4706 3.785459 179.1379 2.147448 -12.66727      4.352153 
1 1 1 4  1  29 o 211.5076 1.962565 447.8124       8.295970      445.4745       13.30472      450.1502       9.911241      210.9242 3.153912 212.0910 2.336554 -1.166840      3.925130 
1 1 1 4  1  30 o 238.6156 2.116545 570.3037       10.13086      579.9386       16.40066      560.5979       11.88074      240.5861 3.408480 236.6451 2.510243 3.941010       4.233090 
1 1 1 4  1  31 o 178.8691 1.898283 320.4327       6.801137      325.1085       10.64095      315.8278       8.473083      180.1342 2.953615 177.6039 2.385388 2.530350       3.796567 
1 1 1 4  1  32 o 67.76924 2.026391 46.01394       2.748085      46.17689       4.556762      45.85808       3.072555      67.86176 3.357386 67.67672 2.270024 0.1850433      4.052783 
1 1 1 4  1  33 o 140.0034 1.719938 196.3828       4.835184      200.8461       7.962997      191.9196       5.483417      141.5529 2.812728 138.4540 1.980231 3.098984       3.439877 
1 1 1 4  1  34 o 66.85887 2.096285 44.84500       2.822472      46.51694       4.736708      43.18014       3.071139      68.06602 3.479496 65.65171 2.338963 2.414314       4.192569 
1 1 1 4  1  35 o 101.7507 2.581930 104.4966       5.020089      89.61916       8.798972      119.4450       4.835184      94.30517 4.665158 109.1963 2.213987 -14.89112      5.163859 
1 1 1 4  1  36 o 53.35598 2.666679 28.63562       2.864270      29.59912       4.845810      27.67921       3.054136      54.18941 4.471179 52.52255 2.907452 1.666859       5.333359 
1 1 1 4  1  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  38 o 101.1710 1.945130 103.0089       3.970872      112.9981       6.286093      93.09056       4.852895      106.0337 2.964195 96.30830 2.519458 9.725410       3.890260 
1 1 1 4  1  39 f 50.32985 2.569768 25.85140       2.660945      31.22147       4.478124      20.48843       2.877023      55.55767 4.030158 45.10203 3.189461 10.45564       5.139536 
1 1 1 4  1  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  41 o 130.5693 1.532838 171.3745       3.998502      168.8949       6.033884      173.8541       5.247502      129.5729 2.328374 131.5656 1.994253 -1.992676      3.065676 
1 1 1 4  1  42 o 50.79273 2.711825 26.60237       2.601435      21.26772       4.341393      31.93701       2.867813      45.34564 4.787001 56.23982 2.549628 -10.89418      5.423651 
1 1 1 4  1  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  1  45 o 29.18732 3.535502 9.287803       2.031132      8.565183       2.693534      10.00334       3.041383      27.87741 5.013546 30.49723 4.986327 -2.619825      7.071003 
1 1 1 4  1  46 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  0  o 46.34988 1.722440 21.57236       1.591891      21.57236       1.591891      21.57236       1.591891      46.34988 1.722440 46.34988 1.722440 -0.000000      0.000000 
1 1 1 4  2  1  o 529.8953 3.866018 2809.011       40.97685      2767.921       57.10830      2850.102       58.78025      526.0207 5.428332 533.7698 5.506142 -7.749084      7.732037 
1 1 1 4  2  2  o 742.3313 5.381805 5514.588       79.91336      5527.341       113.2814      5501.128       112.7147      743.2128 7.621064 741.4497 7.600966 1.763123       10.76361 
1 1 1 4  2  3  o 562.7534 4.102123 3168.196       46.16980      3139.150       64.68873      3197.243       65.90018      560.1746 5.773979 565.3322 5.828448 -5.157532      8.204246 
1 1 1 4  2  4  o 241.3232 1.877604 582.4182       9.061099      580.0803       12.76630      584.7561       12.86548      240.8389 2.650382 241.8076 2.660274 -0.9686432     3.755207 
1 1 1 4  2  5  o 521.5386 3.812897 2721.163       39.77956      2769.338       57.20748      2672.989       55.28758      526.1541 5.436381 516.9231 5.347756 9.231018       7.625794 
1 1 1 4  2  6  o 368.5269 2.738982 1358.811       20.19088      1338.266       28.13262      1378.647       28.96859      365.7886 3.845476 371.2653 3.901334 -5.476715      5.477964 
1 1 1 4  2  7  o 213.3495 1.705793 455.2511       7.275800      447.8832       10.15211      462.6190       10.43549      211.6231 2.398631 215.0760 2.426002 -3.452896      3.411586 
1 1 1 4  2  8  o 612.5669 4.458993 3755.503       54.62872      3741.334       77.00871      3769.672       77.50462      611.4119 6.297612 613.7218 6.314313 -2.309875      8.917986 
1 1 1 4  2  9  o 43.28531 1.602743 18.84482       1.389982      21.66446       2.097726      16.02518       1.824972      46.54193 2.253587 40.02869 2.279580 6.513248       3.205486 
1 1 1 4  2  10 o 383.1204 2.848075 1468.620       21.82740      1443.116       30.34299      1494.125       31.38441      379.7950 3.994654 386.4458 4.060648 -6.650848      5.696150 
1 1 1 4  2  11 o 263.2343 2.042445 693.0784       10.75430      687.5525       15.09711      698.6751       15.31673      262.1784 2.879166 264.2902 2.897710 -2.111725      4.084890 
1 1 1 4  2  12 o 404.9189 3.115149 1640.774       25.28464      1666.987       40.49511      1614.562       30.27923      408.1180 4.961201 401.7198 3.768700 6.398193       6.230298 
1 1 1 4  2  13 o 421.2507 3.729235 1776.797       31.66071      1837.015       54.57204      1716.579       32.12829      428.2958 6.370835 414.2056 3.878302 14.09021       7.458469 
1 1 1 4  2  14 o 445.2167 3.408060 1983.665       30.34299      1980.831       48.03303      1986.499       37.08037      444.8562 5.398714 445.5772 4.160936 -0.7209778     6.816121 
1 1 1 4  2  15 o 788.8116 5.925380 6234.376       93.58647      6295.303       149.1291      6172.740       113.1397      792.4972 9.408809 785.1262 7.205195 7.371033       11.85076 
1 1 1 4  2  16 o 361.4493 3.893327 1307.094       28.14679      1282.298       39.17738      1332.598       40.43134      357.9741 5.472098 364.9246 5.539685 -6.950531      7.786653 
1 1 1 4  2  17 o 375.0043 3.465924 1406.985       26.01435      1414.070       42.70547      1399.901       29.72664      375.9168 5.680176 374.0919 3.973173 1.824921       6.931847 
1 1 1 4  2  18 o 271.3395 2.224097 736.7899       12.07910      740.3321       19.31948      732.5391       14.50201      272.0483 3.550744 270.6308 2.679298 1.417572       4.448193 
1 1 1 4  2  19 o 471.4090 3.776462 2223.830       35.55719      2176.364       52.99219      2271.297       47.42376      466.3591 5.681479 476.4589 4.976690 -10.09979      7.552923 
1 1 1 4  2  20 o 97.04602 1.738573 94.22409       3.346018      90.89436       5.709413      97.55381       3.490542      95.32690 2.994649 98.76514 1.767092 -3.438232      3.477145 
1 1 1 4  2  21 o 222.8557 2.121450 496.7664       9.457831      497.5457       14.75705      495.9871       11.83114      223.0246 3.308390 222.6867 2.656456 0.3379669      4.242900 
1 1 1 4  2  22 o 622.4956 4.744065 3879.482       59.02820      3873.106       93.51564      3886.566       72.12038      621.8566 7.519068 623.1346 5.786902 -1.278076      9.488131 
1 1 1 4  2  23 o 329.9375 2.696283 1089.599       17.83173      1106.602       28.75606      1071.888       21.09769      332.5410 4.323686 327.3340 3.222656 5.207092       5.392566 
1 1 1 4  2  24 o 434.3809 3.537812 1889.441       30.67596      1831.348       45.50386      1947.534       41.15396      427.6696 5.319979 441.0923 4.665007 -13.42270      7.075624 
1 1 1 4  2  25 o 348.5857 2.794767 1216.412       19.46825      1208.619       30.86724      1223.496       23.73314      347.4846 4.441527 349.6868 3.393485 -2.202209      5.589535 
1 1 1 4  2  26 o 263.2191 2.266552 693.3618       11.94450      698.1083       19.24155      688.6151       14.15487      264.0918 3.642967 262.3463 2.697745 1.745483       4.533104 
1 1 1 4  2  27 o 309.6203 2.545960 959.9522       15.72763      942.2409       24.81706      977.6635       19.32656      306.7119 4.045664 312.5287 3.091966 -5.816895      5.091920 
1 1 1 4  2  28 o 89.25432 1.787880 79.77167       3.207870      81.89703       5.366522      77.57547       3.516046      90.45168 2.966513 88.05696 1.996461 2.394722       3.575760 
1 1 1 4  2  29 o 128.5335 1.785027 166.0611       4.650986      187.7397       7.488335      144.3825       5.515297      136.9499 2.733969 120.1171 2.295801 16.83286       3.570055 
1 1 1 4  2  30 o 113.6949 1.839924 129.5758       4.254253      138.6440       7.403321      120.5076       4.188367      117.6480 3.146387 109.7419 1.908280 7.906044       3.679849 
1 1 1 4  2  31 o 286.1717 2.412950 821.0956       13.82898      829.5971       22.33040      812.5942       16.32273      287.5438 3.882956 284.7995 2.865653 2.744324       4.825900 
1 1 1 4  2  32 o 140.4207 1.867222 197.7289       5.328974      210.6227       9.337394      184.8351       5.136275      144.9462 3.220987 135.8952 1.889793 9.050964       3.734444 
1 1 1 4  2  33 o 101.4955 1.686103 103.2214       3.445909      106.8345       5.800095      99.60831       3.722206      103.2390 2.809062 99.75204 1.865729 3.486969       3.372206 
1 1 1 4  2  34 o 72.23062 1.883466 52.38292       2.671572      48.04720       4.441284      56.72574       2.969121      69.19467 3.209268 75.26657 1.972404 -6.071899      3.766932 
1 1 1 4  2  35 o 128.5899 2.440972 166.2736       6.143694      154.0174       10.70471      178.5298       6.033884      123.6874 4.327322 133.4924 2.260011 -9.804947      4.881943 
1 1 1 4  2  36 o 18.48370 4.666011 3.061929       2.260670      3.681824       3.919155      2.442742       2.254294      20.62795 7.423808 16.33946 5.654531 4.288490       9.332023 
1 1 1 4  2  37 o 213.1660 2.199548 456.9514       9.401155      467.2240       14.92708      446.7497       11.43441      215.4121 3.464773 210.9198 2.710606 4.492233       4.399095 
1 1 1 4  2  38 o 85.27382 2.149798 73.32476       3.661279      66.08438       5.056221      80.48012       5.297094      81.06397 3.118661 89.48367 2.959811 -8.419693      4.299596 
1 1 1 4  2  39 o 115.0904 1.929800 133.1889       4.444827      136.9437       6.480917      129.4341       6.084183      116.7023 2.776688 113.4784 2.680766 3.223824       3.859599 
1 1 1 4  2  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  41 o 34.34118 3.769508 13.07802       2.397401      19.27697       3.594684      6.880484       3.172447      43.49087 4.132689 25.19150 6.305366 18.29937       7.539016 
1 1 1 4  2  42 o 149.6331 3.008963 230.1760       8.869816      243.9908       9.953747      216.3612       14.68620      154.9906 3.211081 144.2756 5.089636 10.71504       6.017926 
1 1 1 4  2  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  2  45 o 57.34008 3.698648 35.98935       4.360521      29.64871       4.516380      42.32999       7.459997      52.99203 4.261377 61.68814 6.046541 -8.696114      7.397296 
1 1 1 4  2  46 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  0  o 134.6730 2.590057 181.5762       6.970457      181.5762       6.970457      181.5762       6.970457      134.6730 2.590057 134.6730 2.590057 -0.000000      0.000000 
1 1 1 4  3  1  o 873.2979 6.315632 7630.026       110.3059      7573.349       154.7259      7693.787       157.2763      869.8566 8.893758 876.7392 8.969389 -6.882568      12.63126 
1 1 1 4  3  2  o 339.5097 2.755106 1152.651       18.74563      1127.855       23.96692      1178.155       28.81982      335.8112 3.568512 343.2082 4.198592 -7.397003      5.510213 
1 1 1 4  3  3  o 456.4313 3.472143 2084.265       31.73155      2102.685       50.52678      2065.137       38.40517      458.4711 5.510356 454.3915 4.226000 4.079590       6.944286 
1 1 1 4  3  4  f 496.0906 3.756199 2461.870       37.25039      2452.660       58.73774      2471.080       45.82974      495.1427 5.931395 497.0385 4.610281 -1.895813      7.512399 
1 1 1 4  3  5  o 265.0797 2.052176 702.9258       10.88182      720.4955       15.77014      685.2145       15.00501      268.4063 2.937735 261.7529 2.866254 6.653412       4.104352 
1 1 1 4  3  6  o 448.0117 3.301942 2007.752       29.58495      2007.752       41.84825      2007.752       41.83408      448.0117 4.670441 448.0117 4.668860 0.000000       6.603883 
1 1 1 4  3  7  o 83.09300 1.326683 69.05280       2.204702      68.66315       3.027923      69.43536       3.206453      82.86081 1.827114 83.32519 1.924060 -0.4643784     2.653366 
1 1 1 4  3  8  o 653.0958 4.751814 4269.839       62.06038      4259.920       87.56464      4279.757       87.98971      652.3382 6.711599 653.8535 6.728550 -1.515259      9.503628 
1 1 1 4  3  9  o 477.1129 3.510221 2278.381       33.49560      2249.334       46.79324      2306.719       47.94802      474.1100 4.934851 480.1157 4.993382 -6.005707      7.020442 
1 1 1 4  3  10 o 334.1284 2.520998 1116.520       16.84698      1129.272       24.05194      1104.476       23.59853      335.9825 3.579344 332.2744 3.551061 3.708160       5.041997 
1 1 1 4  3  11 o 161.0500 1.581130 259.5059       5.111480      249.6584       6.351271      269.3534       8.012589      157.9957 2.009950 164.1043 2.441310 -6.108658      3.162261 
1 1 1 4  3  12 o 636.8225 4.643095 4061.554       59.15573      4021.172       82.81801      4101.936       84.44745      633.6611 6.534882 639.9839 6.597624 -6.322754      9.286190 
1 1 1 4  3  13 f 82.29958 1.264230 67.78467       2.080723      71.27025       3.007378      64.29908       2.877731      84.41699 1.781263 80.18216 1.794496 4.234833       2.528461 
1 1 1 4  3  14 o 324.2303 2.556011 1051.342       16.55652      1042.841       26.14187      1060.552       20.32548      322.8485 4.048628 325.6121 3.121119 -2.763580      5.112022 
1 1 1 4  3  15 o 548.6954 4.154743 3013.045       45.54636      2981.874       71.55363      3044.926       56.33609      545.7660 6.555340 551.6249 5.106377 -5.858887      8.309486 
1 1 1 4  3  16 o 505.9463 4.450970 2561.762       45.17089      2599.310       77.22124      2524.922       46.93493      509.5232 7.577795 502.3694 4.671356 7.153748       8.901940 
1 1 1 4  3  17 o 483.7628 3.693455 2342.142       35.66346      2301.052       55.83309      2382.523       44.37742      479.5211 5.821755 488.0044 4.546826 -8.483337      7.386911 
1 1 1 4  3  18 o 403.6977 3.271339 1630.856       26.36857      1586.932       39.30490      1674.780       35.15338      398.2459 4.934753 409.1494 4.295909 -10.90356      6.542677 
1 1 1 4  3  19 o 488.4293 3.758934 2386.774       36.77573      2414.404       58.83692      2359.853       44.13654      491.1807 5.989336 485.6778 4.543809 5.502869       7.517868 
1 1 1 4  3  20 o 324.4305 2.722503 1052.759       17.63337      1030.089       26.60237      1076.138       23.15929      320.8728 4.145314 327.9882 3.530507 -7.115448      5.445007 
1 1 1 4  3  21 f 568.6561 4.346774 3236.916       49.41451      3229.123       78.28393      3244.709       60.33884      567.8989 6.892416 569.4133 5.298335 -1.514343      8.693547 
1 1 1 4  3  22 o 307.3915 2.585100 945.0746       15.96142      970.5789       26.05686      920.2789       18.43391      311.4625 4.182985 303.3206 3.038686 8.141907       5.170201 
1 1 1 4  3  23 o 197.9729 2.477991 392.2698       9.904156      407.7140       17.32165      376.8255       9.627860      201.8487 4.290751 194.0972 2.480164 7.751434       4.955982 
1 1 1 4  3  24 o 511.4116 3.936548 2619.146       40.24714      2610.645       63.71815      2627.648       49.18072      510.4883 6.240902 512.3349 4.799666 -1.846558      7.873096 
1 1 1 4  3  25 o 394.7769 3.114228 1560.011       24.56911      1550.801       38.95776      1569.221       29.94626      393.5613 4.949389 395.9925 3.781165 -2.431183      6.228456 
1 1 1 4  3  26 o 251.8743 2.188611 634.9144       11.03768      638.5984       17.83882      631.1597       12.99301      252.5842 3.531261 251.1644 2.586554 1.419754       4.377222 
1 1 1 4  3  27 o 469.8322 3.658134 2213.203       34.46618      2257.127       55.54262      2169.988       40.82808      474.2804 5.855462 465.3840 4.386493 8.896423       7.316267 
1 1 1 4  3  28 o 252.6015 2.205410 638.8109       11.15812      644.8328       18.12220      632.7891       13.02134      253.7478 3.570907 251.4552 2.589198 2.292618       4.410819 
1 1 1 4  3  29 o 168.2834 1.937598 283.4516       6.519173      280.9720       9.542846      286.0020       8.883986      167.5300 2.848100 169.0368 2.627826 -1.506760      3.875196 
1 1 1 4  3  30 o 451.6465 3.528463 2048.843       31.83074      2031.840       50.35676      2065.845       38.95776      449.5153 5.601228 453.7777 4.292604 -4.262421      7.056926 
1 1 1 4  3  31 o 77.15105 1.813115 59.63039       2.807594      61.51487       4.449077      57.73882       3.426781      78.35984 2.838876 75.94225 2.256176 2.417595       3.626230 
1 1 1 4  3  32 o 305.4792 2.662391 936.5732       16.30148      957.1183       25.36257      916.0281       20.48134      308.7285 4.107585 302.2299 3.388371 6.498627       5.324783 
1 1 1 4  3  33 o 231.1280 2.605208 536.3688       12.03660      538.4233       15.66387      534.3143       18.28514      231.6443 3.381017 230.6117 3.964487 1.032669       5.210416 
1 1 1 4  3  34 o 132.6912 2.085902 176.6879       5.527341      182.2846       7.467082      171.0203       8.147196      134.8311 2.769051 130.5513 3.120305 4.279800       4.171804 
1 1 1 4  3  35 o 120.1253 2.107769 144.8784       5.056221      151.0419       6.983918      138.6440       7.311223      122.7146 2.845594 117.5361 3.110203 5.178490       4.215539 
1 1 1 4  3  36 o 141.0801 2.133168 199.7834       6.018298      199.9959       8.168448      199.5708       8.841478      141.1763 2.892995 140.9838 3.135635 0.1925049      4.266337 
1 1 1 4  3  37 o 80.52570 2.326017 65.24133       3.743459      66.09147       5.047010      64.39827       5.530175      81.07390 3.112599 79.97749 3.457332 1.096405       4.652033 
1 1 1 4  3  38 o 48.52789 2.471576 23.74022       2.387482      22.43667       3.588309      25.03669       3.149777      47.16592 3.803920 49.88984 3.156731 -2.723919      4.943153 
1 1 1 4  3  39 o 168.0794 3.501251 287.7023       11.83114      274.2417       14.25405      301.1628       18.88733      164.4885 4.332841 171.6703 5.501047 -7.181778      7.002502 
1 1 1 4  3  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  41 o 54.61929 5.711103 32.80132       5.863147      40.82099       8.069265      24.78164       8.508506      62.41709 6.463987 46.82150 9.417201 15.59559       11.42221 
1 1 1 4  3  42 o 65.73174 4.758441 46.23357       6.247128      46.36817       8.048012      46.10604       9.557014      66.22342 6.076410 65.24005 7.324499 0.9833679      9.516882 
1 1 1 4  3  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  3  45 o 36.30637 6.535877 17.22246       4.793385      18.00176       6.292469      16.45025       7.233293      37.86015 8.516760 34.75258 9.916429 3.107571       13.07175 
1 1 1 4  3  46 o 23.80062 8.647153 7.481250       5.328265      7.481250       5.328265      ?              ?             23.80062 8.647153 ?        ?        ?              ?        
1 1 1 4  4  0  o 562.3453 5.814187 3163.946       65.37593      3163.946       65.37593      3163.946       65.37593      562.3453 5.814187 562.3453 5.814187 -0.000000      0.000000 
1 1 1 4  4  1  o 250.1490 1.966048 625.7755       9.833311      620.7455       13.81481      630.8763       14.00609      249.1367 2.772536 251.1614 2.788266 -2.024658      3.932096 
1 1 1 4  4  2  o 337.9993 2.554640 1142.733       17.27205      1118.645       23.91733      1166.820       24.93042      334.4371 3.575760 341.5614 3.649478 -7.124359      5.109281 
1 1 1 4  4  3  o 953.9696 6.898791 9110.690       131.6304      9082.353       185.6144      9139.028       186.6770      952.4874 9.743666 955.4519 9.769045 -2.964539      13.79758 
1 1 1 4  4  4  o 958.4727 7.493272 9202.788       143.6740      9195.704       217.0696      9202.788       188.1648      958.1950 11.32701 958.7504 9.813024 -0.5553589     14.98654 
1 1 1 4  4  5  o 268.0698 2.255786 718.3701       12.10744      707.1057       15.60011      730.4138       18.52601      265.8992 2.933463 270.2404 3.427692 -4.341125      4.511571 
1 1 1 4  4  6  o 100.5460 1.484691 101.0961       3.009503      104.5675       5.192952      97.69550       3.042800      102.2529 2.539268 98.83916 1.539269 3.413773       2.969382 
1 1 1 4  4  7  f 264.0826 2.138276 697.7542       11.27147      685.9939       17.69004      709.1602       13.97067      261.8837 3.377461 266.2815 2.623289 -4.397827      4.276551 
1 1 1 4  4  8  o 25.83041 2.563202 6.702662       1.345350      7.559181       2.199034      5.844728       1.550092      27.48820 3.999960 24.17262 3.206298 3.315588       5.126405 
1 1 1 4  4  9  o 203.4089 1.756745 413.8067       7.134109      408.6350       11.25730      419.0493       8.770633      202.1245 2.784744 204.6933 2.142384 -2.568787      3.513489 
1 1 1 4  4  10 o 497.6459 3.798386 2478.873       37.88800      2520.672       60.74265      2437.074       45.31258      501.7829 6.052683 493.5089 4.590857 8.274048       7.596772 
1 1 1 4  4  11 o 191.2960 1.773863 366.0571       6.778466      358.4058       10.17337      373.7083       8.954830      189.2937 2.687192 193.2983 2.316324 -4.004684      3.547725 
1 1 1 4  4  12 o 263.8011 2.075475 696.0539       10.95267      681.8140       15.21046      710.5771       15.76305      261.0767 2.913025 266.5255 2.957138 -5.448822      4.150949 
1 1 1 4  4  13 o 585.8329 4.288367 3435.991       50.25757      3447.326       71.27025      3425.365       70.84518      586.7679 6.073122 584.8979 6.056201 1.869995       8.576734 
1 1 1 4  4  14 o 429.8470 3.470054 1849.059       29.86124      1872.438       45.75182      1825.680       38.39100      432.5402 5.288736 427.1539 4.493814 5.386292       6.940107 
1 1 1 4  4  15 o 243.0413 2.289372 590.8488       11.12978      580.7179       15.50093      601.0505       15.97559      240.9508 3.216617 245.1319 3.258570 -4.181076      4.578745 
1 1 1 4  4  16 o 948.2710 7.131761 9011.507       135.5268      9146.113       216.8571      8876.901       162.5897      955.0897 11.35271 941.4523 8.635046 13.63733       14.26352 
1 1 1 4  4  17 o 258.8815 2.163459 670.3371       11.20062      669.0618       17.91675      671.6123       13.43933      258.6276 3.463812 259.1353 2.593110 -0.5077515     4.326917 
1 1 1 4  4  18 f 370.7876 3.626442 1375.813       26.95659      1404.151       42.73381      1347.475       32.87925      374.5801 5.704229 366.9951 4.479521 7.584930       7.252885 
1 1 1 4  4  19 o 578.7458 4.408063 3352.394       51.06521      3375.773       81.40111      3329.015       61.69198      580.6982 7.008900 576.7935 5.347839 3.904663       8.816126 
1 1 1 4  4  20 o 483.8785 3.903215 2343.559       37.82424      2380.398       58.34809      2306.719       48.15347      487.6454 5.982635 480.1117 5.014820 7.533722       7.806430 
1 1 1 4  4  21 o 402.0945 3.331220 1618.104       26.80782      1629.439       41.11146      1606.060       34.40950      403.5278 5.094007 400.6613 4.294088 2.866455       6.662439 
1 1 1 4  4  22 o 344.8948 2.825828 1190.199       19.44700      1169.654       30.90266      1210.744       23.61270      341.8941 4.519333 347.8956 3.393648 -6.001465      5.651656 
1 1 1 4  4  23 o 676.6121 5.143564 4587.225       69.56997      4575.890       110.1643      4599.269       85.01421      675.5698 8.153432 677.6544 6.272682 -2.084595      10.28713 
1 1 1 4  4  24 o 403.6534 3.178133 1630.856       25.56803      1585.515       39.98502      1676.905       31.88033      397.9512 5.023860 409.3557 3.893965 -11.40448      6.356266 
1 1 1 4  4  25 o 416.7440 3.431503 1739.249       28.59312      1732.873       43.41393      1744.917       37.22206      415.9825 5.218240 417.5056 4.457672 -1.523132      6.863007 
1 1 1 4  4  26 o 259.4580 2.348377 673.8085       12.18537      671.1872       18.69604      676.4297       15.62136      258.9316 3.610228 259.9844 3.004288 -1.052826      4.696754 
1 1 1 4  4  27 o 331.1638 3.000211 1098.809       19.86499      1077.555       28.14679      1120.062       28.04761      327.9539 4.291273 334.3738 4.194049 -6.419952      6.000423 
1 1 1 4  4  28 o 189.4001 3.018586 359.1142       11.43441      359.1142       11.43441      ?              ?             189.4001 3.018586 ?        ?        ?              ?        
1 1 1 4  4  29 f 64.50388 2.452273 41.67822       3.167488      41.28149       3.844059      42.07495       5.034966      64.21062 2.993320 64.79714 3.885177 -0.5865173     4.904546 
1 1 1 4  4  30 o 204.6888 2.406029 419.9702       9.833311      430.1011       13.20554      409.7685       14.57994      207.1938 3.186761 202.1839 3.605613 5.009933       4.812057 
1 1 1 4  4  31 o 144.1113 2.210091 208.2140       6.368981      215.5819       9.139028      200.8461       8.876901      146.6629 3.115658 141.5597 3.135391 5.103195       4.420182 
1 1 1 4  4  32 o 437.1533 4.308844 1929.823       37.81007      1990.041       60.25382      1869.604       45.68806      443.4731 6.793402 430.8335 5.302287 12.63962       8.617688 
1 1 1 4  4  33 o 157.5137 3.215681 249.5876       10.08127      247.4622       18.67479      251.7838       7.608772      156.4857 5.966933 158.5417 2.399612 -2.056030      6.431363 
1 1 1 4  4  34 o 163.3336 3.368306 268.9991       10.86057      260.0727       19.70913      277.9256       9.139028      160.1815 6.152125 166.4857 2.744689 -6.304230      6.736613 
1 1 1 4  4  35 o 145.7786 3.774424 215.0860       11.14395      227.1297       19.47534      202.9714       10.83931      149.4880 6.514016 142.0692 3.814799 7.418732       7.548847 
1 1 1 4  4  36 o 54.20256 7.336900 31.92284       8.253463      40.12671       15.04043      23.71188       6.802555      60.22470 12.86408 48.18043 7.059458 12.04427       14.67380 
1 1 1 4  4  37 f 52.22699 7.860584 29.29448       8.416408      16.99576       14.96250      41.59320       7.707955      40.60546 14.51621 63.84852 6.036127 -23.24305      15.72117 
1 1 1 4  4  38 o 99.25681 4.326189 100.8835       8.713958      108.0389       15.21046      93.79901       8.508506      102.2342 7.439031 96.27946 4.418651 5.954689       8.652378 
1 1 1 4  4  39 o 131.6925 3.900012 177.6797       10.45675      192.8406       18.18596      162.5897       10.31506      136.6480 6.654306 126.7371 4.069472 9.910973       7.800025 
1 1 1 4  4  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  41 o 153.5512 3.792764 243.6366       11.66112      248.1706       19.81540      239.1025       12.29164      153.8911 6.438121 153.2112 4.011337 0.6799011      7.585527 
1 1 1 4  4  42 o 112.6406 4.062356 133.3306       9.068183      131.3470       15.45133      135.3851       9.493254      110.4526 6.994554 114.8286 4.133664 -4.375938      8.124713 
1 1 1 4  4  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  4  44 o 35.74963 10.57541 0.000000       0.000000      ?              ?             17.39249       8.083434      ?        ?        35.74963 10.57541 ?              ?        
1 1 1 4  4  45 o 58.52619 5.614789 40.83516       6.070724      38.36266       10.44966      43.30766       6.181951      53.59566 10.11814 63.45672 4.870997 -9.861065      11.22958 
1 1 1 4  4  46 o 17.10003 5.558639 -1.042841      4.569514      -2.469663      7.686701      0.3839100      4.942868      17.74185 8.344460 16.45821 7.346009 1.283638       11.11728 
1 1 1 4  5  0  o 131.5955 1.913414 173.2873       5.033550      173.2873       5.033550      173.2873       5.033550      131.5955 1.913414 131.5955 1.913414 0.000000       0.000000 
1 1 1 4  5  1  o 147.7789 1.415803 218.4865       4.186242      225.3585       6.065764      211.5437       5.771049      150.1158 2.020361 145.4420 1.983969 4.673798       2.831606 
1 1 1 4  5  2  o 373.8795 2.814735 1398.484       21.04810      1394.233       29.67705      1402.026       29.85416      373.3587 3.974335 374.4004 3.986929 -1.041718      5.629471 
1 1 1 4  5  3  o 478.5433 3.533807 2291.133       33.82149      2278.381       47.57962      2303.177       48.08262      477.2487 4.984783 479.8379 5.010299 -2.589172      7.067613 
1 1 1 4  5  4  o 644.2580 5.091943 4154.361       65.75141      4260.629       101.5211      4048.094       83.59731      652.4606 7.779868 636.0554 6.571543 16.40515       10.18389 
1 1 1 4  5  5  o 111.7548 1.312718 124.9001       2.933699      125.8210       4.176323      123.9791       4.122481      112.1668 1.861657 111.3428 1.851256 0.8240356      2.625437 
1 1 1 4  5  6  o 589.4127 4.319672 3476.373       50.92351      3500.460       72.47462      3452.994       71.55363      591.4232 6.127137 587.4022 6.090684 4.020935       8.639343 
1 1 1 4  5  7  f 47.76989 1.925064 22.98926       1.803718      19.06444       2.671572      26.92117       2.425030      43.65771 3.059679 51.88206 2.337061 -8.224346      3.850128 
1 1 1 4  5  8  o 419.8447 3.134480 1763.336       26.31898      1772.546       37.38500      1754.835       37.05911      420.8983 4.441097 418.7910 4.424535 2.107208       6.268960 
1 1 1 4  5  9  o 113.5393 1.470824 128.9382       3.345309      131.2053       5.177365      126.6712       4.237958      114.5362 2.260145 112.5424 1.882828 1.993805       2.941648 
1 1 1 4  5  10 f 275.3442 2.244129 758.7519       12.34123      752.3758       19.53202      764.4195       15.10419      274.2396 3.561122 276.4487 2.731826 -2.209076      4.488258 
1 1 1 4  5  11 o 316.7607 2.538148 1003.876       16.18104      1044.966       26.38274      963.4944       18.73146      323.1675 4.081900 310.3538 3.017760 12.81366       5.076296 
1 1 1 4  5  12 o 616.6364 4.667553 3808.637       57.58296      3812.179       91.17775      3804.386       70.30676      616.8311 7.390819 616.4416 5.702630 0.3895264      9.335106 
1 1 1 4  5  13 o 196.5062 2.174499 386.2479       8.572267      391.5613       14.60119      381.0054       8.983169      197.8355 3.690236 195.1768 2.301290 2.658615       4.348997 
1 1 1 4  5  14 o 378.7195 2.965281 1434.615       22.46501      1438.157       35.73431      1431.781       27.23997      379.1165 4.712840 378.3225 3.600099 0.7940063      5.930562 
1 1 1 4  5  15 f 291.2807 2.672606 848.7253       15.57177      853.6844       22.21705      843.7661       21.82031      292.1311 3.802582 290.4303 3.756550 1.700806       5.345212 
1 1 1 4  5  16 o 474.1774 3.643010 2249.334       34.51577      2230.915       54.41618      2268.463       42.46460      472.1669 5.762388 476.1880 4.458807 -4.021027      7.286019 
1 1 1 4  5  17 o 471.7592 3.622007 2227.372       34.06945      2167.154       52.97802      2287.591       42.84716      465.3459 5.692327 478.1724 4.480305 -12.82651      7.244013 
1 1 1 4  5  18 o 502.5930 5.998676 2529.881       60.28216      2530.590       108.3223      2529.173       52.94968      502.4261 10.77992 502.7599 5.265902 -0.3338318     11.99735 
1 1 1 4  5  19 o 234.7446 2.495550 551.7422       11.54068      517.6657       19.64537      585.8188       12.11453      227.4707 4.318219 242.0184 2.502811 -14.54761      4.991100 
1 1 1 4  5  20 o 522.4590 4.887982 2736.041       51.75240      2908.195       88.62732      2563.887       53.48811      538.7672 8.225011 506.1508 5.283812 32.61646       9.775964 
1 1 1 4  5  21 o 376.9785 4.723035 1423.988       36.35066      1506.168       68.06805      1341.808       25.55386      387.7078 8.778268 366.2493 3.488588 21.45847       9.446070 
1 1 1 4  5  22 o 466.1751 4.216240 2177.073       38.95776      2085.682       65.09255      2267.754       42.82591      456.3027 7.132607 476.0475 4.498071 -19.74487      8.432480 
1 1 1 4  5  23 o 175.1014 2.569179 0.000000       0.000000      ?              ?             306.6888       8.997337      ?        ?        175.1014 2.569179 ?              ?        
1 1 1 4  5  24 o 376.8871 3.813988 1423.280       28.91900      1477.830       47.33166      1368.020       33.24764      384.0825 6.161653 369.6917 4.496672 14.39081       7.627976 
1 1 1 4  5  25 o 220.7549 3.514408 488.0524       15.55760      492.5865       28.18221      483.4475       13.19137      221.6910 6.356193 219.8187 3.000512 1.872269       7.028816 
1 1 1 4  5  26 o 135.1387 3.324590 182.9931       8.997337      184.0558       16.83282      181.9304       6.376774      135.4300 6.214582 134.8474 2.364441 0.5826111      6.649181 
1 1 1 4  5  27 o 56.65722 5.025627 32.62420       6.172740      39.29073       11.94450      25.96476       3.119313      62.38380 9.573397 50.93063 3.062315 11.45316       10.05125 
1 1 1 4  5  28 f 103.4744 3.521934 108.4640       7.870899      129.2216       15.24588      87.63548       3.924823      113.3602 6.724528 93.58848 2.096852 19.77176       7.043867 
1 1 1 4  5  29 o 202.4819 3.395904 411.3980       13.82898      418.6950       25.73805      404.1009       10.12378      204.0336 6.307309 200.9303 2.519226 3.103241       6.791807 
1 1 1 4  5  30 o 210.0231 3.435874 443.1366       14.37449      439.8069       26.60237      446.4663       10.91016      208.8868 6.367651 211.1593 2.583395 -2.272537      6.871747 
1 1 1 4  5  31 o 214.9812 3.553087 464.8861       15.31673      470.6245       27.64379      459.2185       13.20554      215.9067 6.401791 214.0558 3.084602 1.850861       7.106173 
1 1 1 4  5  32 o 53.18298 4.830575 29.05361       5.210663      35.92559       8.380984      22.18871       6.198245      59.53877 7.038258 46.82718 6.618213 12.71159       9.661150 
1 1 1 4  5  33 o 123.8446 3.005057 154.1591       7.452912      156.0011       11.41316      152.3880       9.578268      124.5168 4.582979 123.1723 3.888158 1.344490       6.010114 
1 1 1 4  5  34 f 116.2558 4.905592 136.3061       11.40607      136.3061       11.40607      ?              ?             116.2558 4.905592 ?        ?        ?              ?        
1 1 1 4  5  35 o 131.3625 3.122438 173.9249       8.225125      178.6007       12.82298      169.2491       10.30089      133.0326 4.819485 129.6924 3.971276 3.340225       6.244876 
1 1 1 4  5  36 o 111.8878 3.886681 126.9546       8.657280      123.7665       13.89274      130.1426       10.33631      110.2399 6.301141 113.5357 4.552009 -3.295860      7.773363 
1 1 1 4  5  37 o 170.0893 3.237101 292.7323       11.04476      303.9966       17.00993      281.4679       14.09111      173.2185 4.909963 166.9602 4.219900 6.258301       6.474203 
1 1 1 4  5  38 f 109.5267 3.589868 122.0662       7.800055      112.8564       11.84531      131.2761       10.14503      105.1878 5.630554 113.8657 4.454824 -8.677834      7.179735 
1 1 1 4  5  39 o 212.6347 3.294177 459.7144       14.02026      468.9951       21.01976      450.3628       18.56852      214.6077 4.897254 210.6618 4.407188 3.945892       6.588354 
1 1 1 4  5  40 f 153.3591 3.235543 240.0943       9.918325      239.1733       14.81373      241.0153       13.19846      152.8752 4.845041 153.8431 4.289584 -0.9679413     6.471086 
1 1 1 4  5  41 o 56.77178 5.609946 35.29507       5.851103      26.83615       9.061099      43.75398       7.403321      48.60753 9.663881 64.93604 5.700472 -16.32851      11.21989 
1 1 1 4  5  42 o 30.05709 6.600733 8.444746       5.343852      0.5705871      8.501422      16.31564       6.473832      22.51808 9.873304 37.59610 8.763365 -15.07802      13.20147 
1 1 1 4  5  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  5  44 o 48.37444 5.142589 26.78656       5.015130      30.10212       7.835476      23.47101       6.258463      51.04425 7.675181 45.70464 6.846639 5.339607       10.28518 
1 1 1 4  5  45 o 103.9630 3.147112 115.0526       6.542552      115.9736       9.875818      114.2024       8.586436      103.9206 4.751616 104.0054 4.127881 -0.8476257E-01 6.294225 
1 1 1 4  5  46 f 35.26644 6.093130 17.07369       4.373273      13.17012       6.405821      20.97726       5.955245      29.83232 9.527365 40.70055 7.598305 -10.86823      12.18626 
1 1 1 4  6  0  o 349.5049 3.768191 1222.079       26.33315      1222.079       26.33315      1222.079       26.33315      349.5049 3.768191 349.5049 3.768191 -0.000000      0.000000 
1 1 1 4  6  1  o 1182.741 8.554670 14020.26       202.3338      14013.18       286.0728      14020.26       286.2854      1182.592 12.09516 1182.890 12.10110 -0.2977295     17.10934 
1 1 1 4  6  2  o 948.0850 6.871570 9004.422       130.2843      8940.662       183.0639      9061.099       185.4727      944.9175 9.686768 951.2524 9.748868 -6.334839      13.74314 
1 1 1 4  6  3  o 461.8415 3.433753 2133.857       31.72447      2162.903       45.43301      2104.810       44.27824      464.9839 4.885438 458.6990 4.826502 6.284912       6.867506 
1 1 1 4  6  4  o 155.9542 1.513660 243.4240       4.726081      255.5385       6.944952      231.2387       6.412197      159.8490 2.172348 152.0593 2.108453 7.789719       3.027320 
1 1 1 4  6  5  o 674.7572 4.929572 4558.179       66.53071      4507.170       93.01972      4608.479       95.14508      671.0115 6.931305 678.5028 7.011399 -7.491272      9.859143 
1 1 1 4  6  6  o 266.1487 2.127317 708.3809       11.32814      719.7870       16.25188      697.3291       15.77722      268.2573 3.029160 264.0400 2.987657 4.217255       4.254633 
1 1 1 4  6  7  o 225.5378 1.882974 508.8101       8.494337      508.8101       12.02951      508.7392       11.99409      225.5455 2.666759 225.5300 2.659090 0.1559448E-01  3.765948 
1 1 1 4  6  8  o 542.4250 3.998463 2945.034       43.37850      2937.950       61.23857      2952.119       61.45111      541.7729 5.651683 543.0771 5.657678 -1.304260      7.996927 
1 1 1 4  6  9  o 244.4523 1.997020 597.7207       9.762465      594.8870       13.76522      600.5546       13.85023      243.8728 2.822212 245.0317 2.826212 -1.158875      3.994040 
1 1 1 4  6  10 o 341.5612 2.620540 1167.529       17.90258      1167.529       25.34840      1166.820       25.28464      341.6129 3.710107 341.5096 3.701894 0.1033020      5.241080 
1 1 1 4  6  11 f 204.7031 1.843817 419.1909       7.530843      413.1691       11.95867      425.1419       9.167366      203.2345 2.942085 206.1717 2.223236 -2.937164      3.687634 
1 1 1 4  6  12 o 633.3950 4.804211 4018.339       60.92685      4054.469       97.05790      3982.208       73.67899      636.1120 7.628994 630.6780 5.841251 5.433960       9.608422 
1 1 1 4  6  13 o 333.4144 3.049078 1112.269       20.35382      1117.229       34.57244      1107.310       21.48026      334.1174 5.173697 332.7115 3.228061 1.405975       6.098157 
1 1 1 4  6  14 o 50.30444 2.016658 25.38383       1.985082      22.65629       3.237624      28.11137       2.298218      47.59180 3.401452 53.01707 2.167432 -5.425266      4.033316 
1 1 1 4  6  15 o 680.0380 5.140350 4629.732       69.81792      4588.642       109.8809      4670.823       86.21858      676.9273 8.116150 683.1487 6.310382 -6.221375      10.28070 
1 1 1 4  6  16 o 533.0110 4.080037 2843.017       43.49894      2846.559       69.03154      2839.475       52.94968      533.2944 6.472179 532.7275 4.969678 0.5668945      8.160074 
1 1 1 4  6  17 o 471.9126 4.266407 2230.206       40.72181      2333.640       70.91602      2126.772       40.04878      482.7614 7.344831 461.0638 4.343085 21.69760       8.532815 
1 1 1 4  6  18 o 527.0592 4.059486 2779.965       42.87550      2819.638       68.75524      2740.292       51.24232      530.7710 6.476922 523.3474 4.895631 7.423584       8.118973 
1 1 1 4  6  19 o 327.9144 2.769771 1076.138       18.14345      1060.552       27.60128      1091.016       23.55602      325.5811 4.238772 330.2477 3.566417 -4.666626      5.539541 
1 1 1 4  6  20 o 357.1852 3.397143 1276.630       24.21488      1264.586       41.69947      1288.674       24.61161      355.4461 5.865794 358.9244 3.428524 -3.478271      6.794286 
1 1 1 4  6  21 o 417.5291 4.364099 0.000000       0.000000      ?              ?             1744.208       36.44276      ?        ?        417.5291 4.364099 ?              ?        
1 1 1 4  6  22 o 560.7686 6.815286 3156.861       77.57547      3309.887       142.0446      3004.544       62.50670      573.7234 12.37919 547.8138 5.705104 25.90955       13.63057 
1 1 1 4  6  23 o 480.7302 5.879492 2318.054       56.56987      2327.972       102.3004      2308.136       48.33058      481.2971 10.62758 480.1634 5.032723 1.133698       11.75898 
1 1 1 4  6  24 o 139.4925 3.438468 195.2493       9.245295      177.1129       17.29331      213.3148       6.526966      132.9495 6.503714 146.0356 2.234718 -13.08612      6.876937 
1 1 1 4  6  25 o 465.9996 5.717507 2180.615       53.28266      2185.574       96.06606      2175.655       46.12021      465.9239 10.30920 466.0753 4.947721 -0.1513977     11.43501 
1 1 1 4  6  26 o 124.1520 2.559861 154.5133       6.500753      164.9984       12.01534      144.0283       4.971206      128.3169 4.681901 119.9871 2.071559 8.329834       5.119722 
1 1 1 4  6  27 o 136.5206 2.474872 186.7479       6.865606      196.0995       12.51834      177.3963       5.635734      139.8834 4.474565 133.1578 2.116186 6.725555       4.949745 
1 1 1 4  6  28 o 81.65900 3.143911 67.03371       4.915947      59.95627       9.209873      74.10406       3.445909      77.25632 5.960596 86.06168 2.002000 -8.805359      6.287822 
1 1 1 4  6  29 o 270.9716 3.103964 736.7899       16.92491      765.1279       27.87758      708.3101       19.20613      276.0688 5.049028 265.8743 3.611881 10.19443       6.207928 
1 1 1 4  6  30 o 65.20789 4.289065 43.13054       5.434533      36.02477       8.494337      50.23632       6.779883      59.70710 7.113339 70.70867 4.794238 -11.00157      8.578130 
1 1 1 4  6  31 o 101.7699 3.328638 104.4258       6.679283      92.24043       10.12378      116.6820       8.721042      95.72755 5.287807 107.8122 4.044553 -12.08463      6.657275 
1 1 1 4  6  32 o 53.43122 5.307837 29.57786       5.322598      24.89499       8.494337      34.26073       6.412197      48.58264 9.079049 58.27980 5.501217 -9.697163      10.61567 
1 1 1 4  6  33 o 78.13661 3.861403 61.96120       6.117482      71.34109       9.812057      52.57421       7.304138      84.03905 5.837796 72.23416 5.055875 11.80489       7.722806 
1 1 1 4  6  34 o 98.84337 4.426113 98.97072       8.756464      99.89171       15.30256      98.12057       8.508506      98.94273 7.733038 98.74400 4.308366 0.1987305      8.852225 
1 1 1 4  6  35 o 55.21802 7.220063 32.28415       7.679617      29.93917       13.64478      34.63621       7.066098      52.00222 13.11336 58.43382 6.046241 -6.431599      14.44013 
1 1 1 4  6  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  37 o 50.98908 14.78991 29.96043       15.96142      29.96043       15.96142      ?              ?             50.98908 14.78991 ?        ?        ?              ?        
1 1 1 4  6  38 o 89.76637 5.140824 83.38477       9.287803      86.92703       16.15270      79.91336       9.174451      90.91319 8.883585 88.61955 5.176313 2.293633       10.28165 
1 1 1 4  6  39 o 47.61579 8.777987 27.06994       8.706873      35.79807       14.41699      18.34182       9.762465      55.12838 13.22552 40.10320 11.54547 15.02519       17.55597 
1 1 1 4  6  40 o 48.25183 8.591722 27.27539       8.628942      20.59469       13.47475      33.96318       10.77555      41.54665 13.83890 54.95701 10.18604 -13.41035      17.18344 
1 1 1 4  6  41 o 63.65222 7.927086 47.56545       9.401155      34.45201       14.45950      60.67181       12.02951      52.21165 13.68205 75.09279 8.009765 -22.88114      15.85417 
1 1 1 4  6  42 o 76.49477 6.264629 65.16339       9.557014      65.04295       14.89874      65.27675       11.96575      75.48252 9.869000 77.50702 7.719140 -2.024498      12.52926 
1 1 1 4  6  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  6  44 o 26.89943 7.356905 8.515590       5.649903      9.096521       7.608772      7.934660       8.352647      27.32588 10.26872 26.47297 10.53801 0.8529072      14.71381 
1 1 1 4  6  45 o 19.16885 6.081488 -1.312761      5.153278      -8.558097      7.012964      5.929741       7.552096      14.95383 7.284464 23.38387 9.740356 -8.430035      12.16298 
1 1 1 4  6  46 o 65.18960 4.931555 52.69464       6.535468      42.44335       7.651280      62.94594       10.59844      59.71664 6.406321 70.66255 7.499333 -10.94591      9.863111 
1 1 1 4  7  0  o 32.18817 4.164543 10.87473       2.609228      10.87473       2.609228      10.87473       2.609228      32.18817 4.164543 32.18817 4.164543 -0.000000      0.000000 
1 1 1 4  7  1  o 224.8603 1.902007 505.6929       8.558097      508.6684       12.14286      502.7174       12.05077      225.5219 2.692170 224.1988 2.687518 1.323059       3.804015 
1 1 1 4  7  2  o 282.3908 2.248788 797.7167       12.70254      778.5886       17.57669      816.8449       18.34890      279.0051 3.149886 285.7764 3.210360 -6.771301      4.497576 
1 1 1 4  7  3  o 927.0671 6.734250 8607.689       124.8292      8600.604       176.3336      8621.858       176.8296      926.4965 9.516153 927.6378 9.531176 -1.141235      13.46850 
1 1 1 4  7  4  o 183.9382 1.685701 338.4983       6.204620      327.8006       8.579351      349.1250       8.961915      181.0404 2.369458 186.8359 2.398339 -5.795532      3.371403 
1 1 1 4  7  5  o 577.6770 4.253958 3340.350       49.14530      3349.560       69.72582      3331.140       69.28658      578.4724 6.026721 576.8816 6.005270 1.590759       8.507915 
1 1 1 4  7  6  o 406.8093 3.074993 1656.360       25.02252      1689.658       36.08145      1622.355       34.68580      410.9409 4.390101 402.6776 4.306894 8.263336       6.149986 
1 1 1 4  7  7  o 336.4816 2.604833 1132.814       17.53418      1159.736       25.34132      1105.893       24.24322      340.4790 3.721422 332.4843 3.645770 7.994751       5.209666 
1 1 1 4  7  8  o 317.6638 2.483691 1009.544       15.78431      994.6663       22.03993      1024.421       22.59253      315.3236 3.494812 320.0040 3.530039 -4.680389      4.967382 
1 1 1 4  7  9  o 440.9625 3.309948 1946.117       29.20238      1903.610       40.47385      1988.624       42.09620      436.1489 4.639912 445.7760 4.721677 -9.627106      6.619895 
1 1 1 4  7  10 o 255.2664 2.092478 651.8465       10.68345      654.0427       15.18921      649.5795       15.02626      255.7031 2.970087 254.8297 2.948295 0.8733673      4.184956 
1 1 1 4  7  11 o 455.1467 3.409767 2072.930       31.03727      2065.137       43.76107      2081.431       44.03028      454.2528 4.816819 456.0406 4.827452 -1.787781      6.819533 
1 1 1 4  7  12 o 240.7152 2.145700 579.6553       10.32214      568.8868       15.28839      590.4237       13.86440      238.4751 3.205448 242.9554 2.853282 -4.480286      4.291400 
1 1 1 4  7  13 o 691.1270 4.799093 4782.050       66.33942      4771.423       98.82903      4793.385       88.48563      690.2861 7.158556 691.9678 6.393768 -1.681702      9.598186 
1 1 1 4  7  14 o 220.4003 1.980485 485.9270       8.699788      473.5291       13.75105      498.3250       10.66220      217.5829 3.159957 223.2177 2.388297 -5.634766      3.960970 
1 1 1 4  7  15 o 722.3268 5.703067 5224.124       82.32210      5190.826       124.1916      5258.129       108.1806      719.9323 8.625228 724.7213 7.463600 -4.789001      11.40613 
1 1 1 4  7  16 o 303.0787 3.106652 921.6958       19.37616      1027.964       34.30323      816.1365       18.03718      320.5102 5.351349 285.6473 3.157247 34.86282       6.213304 
1 1 1 4  7  17 f 158.2746 3.297025 251.2170       10.70471      274.6667       19.16362      227.6964       9.557014      165.6698 5.783681 150.8795 3.167102 14.79028       6.594050 
1 1 1 4  7  18 o 321.8651 3.078661 1036.465       19.77289      1023.004       32.33374      1049.926       22.76964      319.7505 5.056088 323.9796 3.514055 -4.229034      6.157322 
1 1 1 4  7  19 o 859.7905 7.667386 7417.490       131.4886      7297.054       212.6772      7537.927       154.6550      852.3469 12.47598 867.2343 8.916566 -14.88739      15.33477 
1 1 1 4  7  20 o 270.6693 2.666627 732.5391       14.45242      736.7899       24.60453      728.9969       15.16795      271.3667 4.533447 269.9719 2.809173 1.394775       5.333254 
1 1 1 4  7  21 o 370.0487 3.546496 1370.146       26.32607      1392.108       43.73273      1348.892       29.30865      372.9140 5.863648 367.1834 3.991009 5.730560       7.092991 
1 1 1 4  7  22 o 404.3539 3.539159 0.000000       0.000000      ?              ?             1635.815       28.62145      ?        ?        404.3539 3.539159 ?              ?        
1 1 1 4  7  23 o 193.1293 2.173454 0.000000       0.000000      ?              ?             373.0707       8.395153      ?        ?        193.1293 2.173454 ?              ?        
1 1 1 4  7  24 o 22.51583 6.101179 2.877731       4.515672      2.036090       8.607689      3.719372       2.732499      25.54420 10.49663 19.48747 6.222396 6.056730       12.20236 
1 1 1 4  7  25 o 364.5569 3.607071 1331.889       26.16313      1295.050       42.96760      1368.729       29.86124      359.3798 5.978022 369.7341 4.038206 -10.35431      7.214143 
1 1 1 4  7  26 o 128.5443 2.663082 0.000000       0.000000      ?              ?             165.3526       6.846478      ?        ?        128.5443 2.663082 ?              ?        
1 1 1 4  7  27 o 231.3054 2.832283 536.0854       13.16303      548.9792       22.26664      523.1917       14.05568      234.0004 4.757821 228.6103 3.074157 5.390060       5.664566 
1 1 1 4  7  28 o 83.03152 3.870838 69.31492       6.351271      63.76774       9.982086      74.88335       7.856731      79.64672 6.266476 86.41634 4.545859 -6.769615      7.741677 
1 1 1 4  7  29 o 126.0169 6.611331 159.9684       16.66279      159.9684       16.66279      ?              ?             126.0169 6.611331 ?        ?        ?              ?        
1 1 1 4  7  30 o 181.4866 3.775051 331.4137       13.65895      327.0213       22.86174      335.8770       14.94833      180.0397 6.349082 182.9334 4.085730 -2.893723      7.550101 
1 1 1 4  7  31 o 162.8015 4.355567 267.5114       14.19737      275.7294       21.13312      259.2934       18.97234      165.2460 6.394441 160.3570 5.915655 4.888962       8.711134 
1 1 1 4  7  32 o 238.4526 4.794935 576.5381       22.86174      555.1428       32.19913      598.0042       32.45417      233.9718 6.880987 242.9334 6.679644 -8.961655      9.589870 
1 1 1 4  7  33 o 126.8474 4.585254 163.0856       11.64695      166.2736       17.52001      159.8976       15.34507      127.9913 6.844219 125.7035 6.103676 2.287857       9.170507 
1 1 1 4  7  34 o 130.0875 4.012824 171.1620       10.40716      178.4590       13.85732      163.8649       15.52926      132.9729 5.210581 127.2021 6.104169 5.770760       8.025648 
1 1 1 4  7  35 o 131.4279 4.269301 175.2001       11.22188      174.7042       14.74288      175.6960       16.92491      131.3680 5.611293 131.4878 6.435925 -0.1198578     8.538603 
1 1 1 4  7  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  7  37 o 101.0891 4.861532 104.9217       9.840395      100.1042       13.19137      109.7392       14.61536      98.84181 6.672972 103.3365 7.071735 -4.494644      9.723064 
1 1 1 4  7  38 o 41.45671 7.560643 18.80231       6.643860      13.45350       10.55593      24.15112       8.069265      35.68476 12.24689 47.22865 8.869432 -11.54389      15.12129 
1 1 1 4  7  39 o 188.4158 3.443377 362.4439       12.95758      352.2422       19.05027      372.6457       17.56252      185.5502 5.133455 191.2814 4.590755 -5.731247      6.886755 
1 1 1 4  7  40 o 217.5679 3.449977 484.5102       15.02626      495.9163       22.20996      473.1041       20.24047      219.9531 5.048796 215.1827 4.703088 4.770340       6.899955 
1 1 1 4  7  41 o 89.41831 4.141367 83.52647       7.424574      86.28942       11.49109      80.76351       9.401155      90.56931 6.343810 88.26732 5.325388 2.301987       8.282734 
1 1 1 4  7  42 o 92.09988 4.176890 89.26492       7.715039      92.59465       11.90907      85.93520       9.804973      93.44653 6.372133 90.75323 5.401997 2.693298       8.353780 
1 1 1 4  7  43 f 63.73260 4.985869 45.37634       6.376774      51.21398       9.670367      39.53161       8.317224      67.77634 7.134029 59.68885 6.967151 8.087494       9.971738 
1 1 1 4  7  44 o 32.59634 7.016776 14.05568       5.073932      17.84590       7.729208      10.27255       6.572307      36.75707 10.17490 28.43561 9.664983 8.321466       14.03355 
1 1 1 4  7  45 o 29.42562 6.763776 11.85948       4.944285      7.750463       7.495420      15.96142       6.450453      24.58574 9.906265 34.26550 9.211981 -9.679750      13.52755 
1 1 1 4  7  46 o 25.77278 6.711133 10.37882       4.689950      13.94941       6.920157      6.803263       6.330725      29.32693 9.917451 22.21864 9.044413 7.108290       13.42227 
1 1 1 4  8  0  o 97.39281 2.191994 95.00338       4.264880      95.00338       4.264880      95.00338       4.264880      97.39281 2.191994 97.39281 2.191994 -0.000000      0.000000 
1 1 1 4  8  1  o 179.5105 1.711316 322.2747       6.145111      327.6590       8.806056      316.9613       8.572267      180.9999 2.432613 178.0210 2.407656 2.978943       3.422633 
1 1 1 4  8  2  o 207.9720 1.850493 432.5807       7.693786      427.5507       10.78972      437.6815       10.98100      206.7545 2.609307 209.1895 2.624655 -2.434967      3.700986 
1 1 1 4  8  3  o 197.6158 1.798944 390.7820       7.112856      373.4249       9.755382      408.1390       10.35756      193.2252 2.524355 202.0063 2.563673 -8.781143      3.597887 
1 1 1 4  8  4  o 463.6100 3.477974 2150.860       32.24873      2167.863       45.94310      2133.857       45.27007      465.4414 4.935433 461.7787 4.901706 3.662750       6.955949 
1 1 1 4  8  5  o 70.51403 1.845767 49.74040       2.606394      48.21723       3.502585      51.27065       3.859645      69.43215 2.522308 71.59591 2.695437 -2.163757      3.691534 
1 1 1 4  8  6  o 346.8104 2.694620 1202.951       18.68896      1207.910       26.53152      1198.700       26.33315      347.4738 3.817773 346.1471 3.803752 1.326691       5.389241 
1 1 1 4  8  7  o 331.7107 2.597004 1100.934       17.23663      1126.438       24.89499      1075.430       23.83940      335.5520 3.709559 327.8694 3.635503 7.682587       5.194007 
1 1 1 4  8  8  o 168.4612 1.804788 283.9475       6.065056      271.8329       8.912323      296.1328       8.232210      164.8536 2.703103 172.0688 2.392128 -7.215179      3.609576 
1 1 1 4  8  9  o 214.8826 1.896753 462.0522       8.154280      480.8262       11.90199      443.2783       11.15812      219.2492 2.714260 210.5159 2.650184 8.733353       3.793505 
1 1 1 4  8  10 o 360.8457 3.012723 1302.843       21.79198      1340.391       33.60895      1266.003       27.75714      365.9774 4.591670 355.7139 3.901610 10.26352       6.025446 
1 1 1 4  8  11 o 428.1492 3.245542 1834.890       27.79965      1798.759       38.63188      1870.313       39.97794      423.9761 4.555902 432.3223 4.623626 -8.346191      6.491084 
1 1 1 4  8  12 o 182.8673 2.132304 334.5309       7.807138      337.5773       11.95867      331.4137       10.03168      183.7059 3.254840 182.0286 2.755522 1.677246       4.264608 
1 1 1 4  8  13 o 568.0292 5.380523 3231.249       61.00478      3322.639       80.05505      3140.567       92.02789      576.0959 6.948067 559.9624 8.217327 16.13348       10.76105 
1 1 1 4  8  14 o 167.4614 2.730813 280.4761       9.146112      280.4761       9.146112      ?              ?             167.4614 2.730813 ?        ?        ?              ?        
1 1 1 4  8  15 o 405.7545 3.727338 1647.859       30.34299      1677.614       49.96002      1617.395       34.44493      409.4208 6.101305 402.0882 4.283256 7.332611       7.454676 
1 1 1 4  8  16 o 444.6133 3.993395 1978.706       35.55719      1991.458       60.45219      1965.245       37.46293      446.0110 6.776984 443.2155 4.226265 2.795471       7.986791 
1 1 1 4  8  17 o 284.1908 3.120568 807.6351       17.75380      800.5505       21.93367      815.4280       27.92717      282.8958 3.876634 285.4859 4.891164 -2.590149      6.241136 
1 1 1 4  8  18 o 115.2201 1.788673 132.8347       4.107604      129.5758       6.536176      136.0228       4.976873      113.8187 2.871311 116.6216 2.133770 -2.802925      3.577346 
1 1 1 4  8  19 o 113.8547 2.175762 130.0009       5.012296      143.9574       8.069265      116.1152       5.950287      119.9638 3.363208 107.7456 2.761266 12.21820       4.351524 
1 1 1 4  8  20 f 825.4899 6.250987 6828.059       103.2214      6818.140       163.2273      6838.686       126.2461      824.6534 9.896720 826.3264 7.638999 -1.672913      12.50197 
1 1 1 4  8  21 o 227.7302 2.567847 519.0826       11.76738      539.2735       19.26989      498.8209       13.51017      232.1530 4.150257 223.3074 3.025018 8.845596       5.135695 
1 1 1 4  8  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  23 o 424.6993 3.939253 1807.261       33.18388      1741.375       55.91101      1872.438       35.76973      416.8561 6.706273 432.5425 4.134823 -15.68643      7.878506 
1 1 1 4  8  24 o 91.30480 4.109034 83.66816       7.778800      90.46929       15.26714      76.86702       2.981873      94.94289 8.040168 87.66671 1.700688 7.276184       8.218068 
1 1 1 4  8  25 o 171.0895 3.542428 294.0783       11.67529      265.5277       21.61486      322.5581       8.820225      162.6285 6.645472 179.5505 2.456197 -16.92195      7.084857 
1 1 1 4  8  26 o 75.28052 4.751477 56.94535       7.212039      58.19223       13.95650      55.69847       3.622314      75.95238 9.187664 74.60864 2.427543 1.343742       9.502954 
1 1 1 4  8  27 o 339.9171 4.656432 1161.861       31.65363      1164.695       56.16605      1158.319       29.20947      339.8732 8.262795 339.9609 4.296004 -0.8767700E-01 9.312864 
1 1 1 4  8  28 o 167.9268 3.662382 283.1682       12.14286      271.3370       21.42358      294.9993       11.44150      164.2323 6.522340 171.6213 3.333355 -7.389008      7.324764 
1 1 1 4  8  29 o 48.92210 7.131133 25.34840       6.762172      21.85574       9.139028      28.84815       9.967916      45.42577 10.29537 52.41844 9.870031 -6.992672      14.26227 
1 1 1 4  8  30 o 43.47581 7.733968 20.18379       6.742336      19.09278       8.813140      21.27481       10.20879      42.33817 10.45630 44.61345 11.39837 -2.275280      15.46794 
1 1 1 4  8  31 o 210.2966 3.985349 445.9704       16.83990      430.2428       19.82957      461.6980       27.22580      206.8200 4.793919 213.7732 6.367918 -6.953171      7.970699 
1 1 1 4  8  32 o 95.56418 5.800955 92.24043       11.08727      92.24043       11.08727      ?              ?             95.56418 5.800955 ?        ?        ?              ?        
1 1 1 4  8  33 o 45.15959 6.786928 21.44484       6.074266      20.52385       9.712874      22.35874       7.289969      43.53493 11.11526 46.78424 7.791052 -3.249306      13.57386 
1 1 1 4  8  34 o 260.1874 3.633801 684.0811       18.94400      711.2856       28.38058      656.5223       25.10045      265.2927 5.348919 255.0821 4.920073 10.21060       7.267603 
1 1 1 4  8  35 o 167.9619 3.496917 284.9393       11.73905      282.3889       17.78922      287.4897       15.31673      167.0780 5.323628 168.8458 4.535714 -1.767792      6.993834 
1 1 1 4  8  36 o 54.37001 8.227145 33.03511       8.869816      37.69672       14.78539      28.37349       9.790804      57.64511 13.11598 51.09490 9.935536 6.550213       16.45429 
1 1 1 4  8  37 o 87.98184 4.742319 79.84251       8.118857      67.64297       12.66712      92.02789       10.16628      80.81742 7.836873 95.14626 5.342450 -14.32883      9.484637 
1 1 1 4  8  38 o 57.96330 6.448527 36.13813       7.075308      31.37024       11.12269      40.91309       8.749379      53.03600 10.86037 62.89060 6.956032 -9.854595      12.89705 
1 1 1 4  8  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  8  40 o 33.71521 7.809578 12.90091       6.129525      13.63061       9.656199      12.16412       7.552096      34.63148 11.71508 32.79894 10.33029 1.832539       15.61916 
1 1 1 4  8  41 o 17.22115 5.907761 -11.03768      6.060097      -5.015130      9.762465      -17.05952      7.183701      21.05881 9.752806 13.38349 6.670033 7.675322       11.81552 
1 1 1 4  8  42 o 84.57861 4.911552 79.98421       8.133026      69.82500       12.34123      90.11507       10.59844      77.86813 7.924441 91.28909 5.804877 -13.42095      9.823104 
1 1 1 4  8  43 o 37.77941 8.614703 18.80231       9.337394      41.50819       14.65078      -3.898610      11.57610      53.19567 13.69262 22.36316 10.45775 30.83251       17.22941 
1 1 1 4  8  44 o 32.92064 7.129649 14.69329       5.151153      15.61428       7.856731      13.77939       6.665823      33.54543 10.53087 32.29585 9.613967 1.249580       14.25930 
1 1 1 4  8  45 o 30.30334 6.173821 11.58319       5.057637      0.7502505      7.339560      22.41541       6.959122      19.30360 8.764421 41.30309 8.697656 -21.99949      12.34764 
1 1 1 4  9  0  o 157.5189 2.380430 248.3124       7.495420      248.3124       7.495420      248.3124       7.495420      157.5189 2.380430 157.5189 2.380430 -0.000000      0.000000 
1 1 1 4  9  1  f 283.7549 2.316578 805.5097       13.14886      822.5125       18.92275      788.5069       18.26389      286.7494 3.299528 280.7604 3.252575 5.988953       4.633155 
1 1 1 4  9  2  o 164.4965 1.711466 270.6994       5.630066      276.0128       8.055097      265.3152       7.870899      166.1220 2.424452 162.8710 2.416298 3.250977       3.422932 
1 1 1 4  9  3  o 365.2468 2.836998 1334.723       20.72222      1348.184       29.62037      1321.263       28.99693      367.0876 4.034510 363.4060 3.989606 3.681641       5.673995 
1 1 1 4  9  4  o 182.4126 1.951972 333.1140       7.169532      352.8798       11.32106      313.3482       8.784801      187.8252 3.013723 177.0000 2.481583 10.82521       3.903944 
1 1 1 4  9  5  o 479.0535 3.599838 2296.801       34.49452      2281.215       48.48644      2312.386       49.06738      477.4290 5.077869 480.6779 5.103975 -3.248932      7.199675 
1 1 1 4  9  6  o 159.6042 1.696193 254.9009       5.418948      265.8820       7.899237      243.9199       7.417490      163.0434 2.422434 156.1651 2.374887 6.878265       3.392385 
1 1 1 4  9  7  o 228.3575 2.005297 521.8456       9.167366      501.5839       12.56085      542.0364       13.34723      223.9308 2.804628 232.7843 2.866867 -8.853500      4.010594 
1 1 1 4  9  8  o 549.7319 4.711185 3027.215       51.80199      3056.969       74.10406      2996.751       72.40377      552.4604 6.706729 547.0034 6.618220 5.457092       9.422370 
1 1 1 4  9  9  o 485.6283 4.198686 2361.270       40.77848      2366.938       57.95135      2355.602       57.39167      486.2089 5.959512 485.0476 5.916087 1.161285       8.397372 
1 1 1 4  9  10 o 448.0547 3.901170 2009.878       34.96209      2024.755       49.95294      1994.292       48.92568      449.7499 5.553412 446.3595 5.480524 3.390411       7.802341 
1 1 1 4  9  11 o 134.5452 2.099468 181.1511       5.680366      188.8733       9.124859      173.4290       6.769256      137.4100 3.320304 131.6803 2.570338 5.729706       4.198935 
1 1 1 4  9  12 o 331.0901 3.003035 1096.683       19.88624      1095.975       28.24597      1097.392       27.99801      330.9825 4.266989 331.1978 4.226782 -0.2152405     6.006071 
1 1 1 4  9  13 f 271.0387 2.438674 734.6645       13.25513      709.8687       16.90366      760.1688       20.42466      266.4055 3.172543 275.6719 3.704524 -9.266418      4.877348 
1 1 1 4  9  14 o 547.6177 4.428970 3002.419       48.65647      3097.351       75.59180      2906.778       61.25983      556.2712 6.794511 538.9642 5.683108 17.30701       8.857940 
1 1 1 4  9  15 o 430.5100 3.284907 1854.018       28.28139      1849.768       39.95668      1858.978       40.04170      429.9754 4.646391 431.0446 4.644728 -1.069183      6.569813 
1 1 1 4  9  16 o 385.6564 3.247866 1488.457       25.02252      1460.119       37.47710      1516.087       33.15554      382.0179 4.905149 389.2950 4.258409 -7.277039      6.495732 
1 1 1 4  9  17 o 329.1167 2.735573 1083.223       18.02301      1089.599       28.87649      1077.555       21.56527      330.0147 4.375032 328.2187 3.285199 1.795990       5.471146 
1 1 1 4  9  18 o 483.9279 3.781902 2344.267       36.52777      2305.302       57.36334      2382.523       45.24173      479.8932 5.976678 487.9626 4.635778 -8.069458      7.563803 
1 1 1 4  9  19 o 347.3506 3.297421 1207.202       22.89716      1205.785       38.84441      1208.619       24.26447      347.1039 5.595502 347.5973 3.490314 -0.4933777     6.594841 
1 1 1 4  9  20 o 126.4892 3.018880 0.000000       0.000000      ?              ?             160.0392       7.637110      ?        ?        126.4892 3.018880 ?              ?        
1 1 1 4  9  21 o 188.2095 2.332854 355.4302       8.947746      394.0409       15.08294      316.8196       9.634944      198.4497 3.800193 177.9693 2.706912 20.48039       4.665709 
1 1 1 4  9  22 o 192.0500 2.212403 368.9617       8.494337      369.1034       14.00609      368.8908       9.627860      192.0622 3.646238 192.0377 2.506763 0.2452087E-01  4.424806 
1 1 1 4  9  23 o 229.4801 2.741437 0.000000       0.000000      ?              ?             526.8047       12.58210      ?        ?        229.4801 2.741437 ?              ?        
1 1 1 4  9  24 o 245.2633 2.843251 602.7508       14.00609      639.8737       21.55819      565.6987       17.88841      252.7986 4.263906 237.7280 3.762368 15.07054       5.686502 
1 1 1 4  9  25 o 158.9524 2.725691 253.3424       8.465999      235.1351       15.13253      271.5496       7.594603      153.1597 4.940116 164.7451 2.304956 -11.58543      5.451382 
1 1 1 4  9  26 o 172.4436 3.026677 298.4707       10.31506      272.9665       16.06060      324.0458       12.95050      165.0025 4.866776 179.8848 3.599665 -14.88229      6.053354 
1 1 1 4  9  27 o 264.1763 3.029569 699.6670       15.89766      679.5469       26.90700      719.7870       16.94617      260.2357 5.169736 268.1169 3.160220 -7.881134      6.059139 
1 1 1 4  9  28 o 157.1468 2.854853 247.5331       8.969000      247.3914       14.91999      247.7456       9.960832      157.0152 4.751131 157.2785 3.166623 -0.2632599     5.709706 
1 1 1 4  9  29 o 384.0557 4.503735 1487.040       34.60078      1509.002       50.05920      1465.787       47.78507      386.7942 6.471040 381.3171 6.265791 5.477020       9.007469 
1 1 1 4  9  30 o 80.85849 4.155689 66.04896       6.762880      72.33293       10.47092      59.79333       8.558097      84.66943 6.183411 77.04755 5.553776 7.621880       8.311378 
1 1 1 4  9  31 o 130.5698 3.366173 171.5870       8.777717      167.8322       13.23388      175.3418       11.52651      129.0752 5.126423 132.0644 4.363973 -2.989227      6.732346 
1 1 1 4  9  32 o 214.7234 3.379232 464.4610       14.49492      440.4445       20.61595      488.4775       20.37507      209.1226 4.929154 220.3243 4.623882 -11.20174      6.758465 
1 1 1 4  9  33 o 186.2135 3.344581 349.4793       12.45458      347.4956       18.41266      351.4629       16.76905      185.6127 4.959967 186.8143 4.488163 -1.201523      6.689161 
1 1 1 4  9  34 o 111.3446 3.807380 125.4668       8.444746      120.9327       12.94341      129.9301       10.85348      109.2141 5.925707 113.4751 4.782319 -4.261009      7.614761 
1 1 1 4  9  35 o 129.3620 4.204274 170.2410       10.78264      159.8267       16.89658      180.5844       13.38974      125.1137 6.752487 133.6102 5.010747 -8.496468      8.408547 
1 1 1 4  9  36 o 108.2412 4.337418 119.5867       9.401155      121.4286       14.95542      117.7447       11.39899      108.7955 6.873179 107.6869 5.292654 1.108597       8.674836 
1 1 1 4  9  37 o 102.1339 4.156130 106.6220       8.543928      112.9272       13.57394      100.3876       10.37173      104.9118 6.469217 99.35613 5.219473 5.555618       8.312260 
1 1 1 4  9  38 f 141.1551 3.656660 203.3965       10.27255      191.2111       15.24588      215.5819       13.77939      136.6978 5.576493 145.6124 4.731528 -8.914688      7.313319 
1 1 1 4  9  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  40 o 40.97228 7.517279 20.23338       6.555304      29.65579       10.28672      10.81097       8.133026      50.62380 10.51092 31.32076 10.74982 19.30303       15.03456 
1 1 1 4  9  41 o 38.43486 7.481713 17.62628       6.361897      12.05785       9.932493      23.19471       7.948828      32.17819 11.79485 44.69153 9.207914 -12.51334      14.96343 
1 1 1 4  9  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  9  44 o 44.07833 6.511988 25.36257       5.723582      32.71630       8.685618      18.00884       7.459997      51.77842 8.387297 36.37824 9.963795 15.40018       13.02398 
1 1 1 4  9  45 o 26.98857 6.523327 9.259464       5.025048      0.9649113      7.155363      17.54835       7.054762      19.12881 8.674270 34.84833 9.745369 -15.71952      13.04665 
1 1 1 4  10 0  o 289.7816 3.377269 840.2238       19.56744      840.2238       19.56744      840.2238       19.56744      289.7816 3.377269 289.7816 3.377269 -0.000000      0.000000 
1 1 1 4  10 1  o 345.6294 2.731726 1195.158       18.88024      1200.826       26.82907      1189.491       26.58111      346.4485 3.872014 344.8102 3.854455 1.638336       5.463452 
1 1 1 4  10 2  o 76.12975 1.950306 57.97261       2.969830      59.04237       4.264171      56.90993       4.135233      76.82973 2.775079 75.42976 2.741115 1.399971       3.900612 
1 1 1 4  10 3  o 151.3097 1.731468 229.0425       5.240418      232.9389       7.530843      225.0751       7.289969      152.6085 2.467373 150.0109 2.429814 2.597641       3.462936 
1 1 1 4  10 4  o 216.5582 2.272214 469.1368       9.840395      466.6572       13.92816      471.6164       13.90691      215.9856 3.224326 217.1307 3.202428 -1.145111      4.544428 
1 1 1 4  10 5  o 190.9274 2.140271 364.7110       8.175533      371.2287       11.80281      358.1224       11.31397      192.6423 3.063399 189.2125 2.989753 3.429779       4.280542 
1 1 1 4  10 6  o 451.2968 3.951962 2038.924       35.67055      2047.426       50.69681      2030.423       50.19381      452.2362 5.605124 450.3574 5.572664 1.878815       7.903923 
1 1 1 4  10 7  o 70.84349 2.238194 50.33550       3.168196      55.36551       4.600686      45.29841       4.356270      74.39539 3.092051 67.29159 3.236861 7.103798       4.476388 
1 1 1 4  10 8  o 172.0027 2.038359 296.0620       7.015798      308.3891       10.24421      283.7349       9.592437      175.5845 2.917175 168.4209 2.847757 7.163574       4.076718 
1 1 1 4  10 9  o 287.7743 2.572104 828.8886       14.82081      815.4280       19.14945      841.6407       22.62795      285.5070 3.353587 290.0417 3.900810 -4.534729      5.144207 
1 1 1 4  10 10 o 331.5745 2.652224 1099.517       17.59086      1088.182       24.66829      1111.561       25.07919      329.8128 3.739741 333.3362 3.761847 -3.523315      5.304447 
1 1 1 4  10 11 o 329.6444 2.645641 1086.765       17.44208      1066.220       24.27864      1108.019       25.05794      326.4761 3.718287 332.8126 3.764572 -6.336487      5.291282 
1 1 1 4  10 12 o 263.8336 2.252853 696.1956       11.88782      697.4708       16.85407      694.9912       16.76905      264.0684 3.191231 263.5988 3.180791 0.4696350      4.505707 
1 1 1 4  10 13 f 431.3891 3.309852 1861.811       28.55769      1869.604       40.49511      1854.018       40.27548      432.2918 4.683770 430.4864 4.677905 1.805450       6.619705 
1 1 1 4  10 14 o 293.2100 2.836975 860.0605       16.63445      864.3112       23.70480      855.8098       23.35057      293.9340 4.032333 292.4860 3.991741 1.447968       5.673950 
1 1 1 4  10 15 o 846.2247 6.189172 7169.532       104.7800      7141.194       147.4997      7204.955       148.7749      844.3472 8.734538 848.1023 8.771046 -3.755066      12.37834 
1 1 1 4  10 16 o 266.0743 2.702650 708.3101       14.38157      715.5363       20.54510      700.8713       20.13420      267.4513 3.840905 264.6972 3.803251 2.754059       5.405300 
1 1 1 4  10 17 o 105.7337 1.964730 111.8645       4.155069      113.7774       5.954537      109.8809       5.797261      106.6547 2.791502 104.8128 2.765532 1.841965       3.929459 
1 1 1 4  10 18 o 459.6669 4.045684 2114.729       37.20080      2166.446       53.61563      2063.720       51.58946      465.2462 5.762071 454.0877 5.680562 11.15854       8.091369 
1 1 1 4  10 19 o 408.1945 3.937331 1667.696       32.33374      1720.121       54.02653      1615.979       35.52885      414.5037 6.517015 401.8854 4.420272 12.61826       7.874661 
1 1 1 4  10 20 o 196.1136 2.519579 385.1852       9.989170      410.1227       16.52818      360.2477       11.21479      202.4548 4.081944 189.7724 2.954800 12.68237       5.039157 
1 1 1 4  10 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 22 o 358.8058 3.461179 1289.382       24.93750      1317.012       41.41609      1261.044       27.77839      362.6279 5.710550 354.9838 3.912629 7.644135       6.922359 
1 1 1 4  10 23 o 171.1795 1.940119 293.1573       6.626858      289.5442       10.72596      296.7704       7.792970      170.1131 3.152596 172.2458 2.262165 -2.132721      3.880239 
1 1 1 4  10 24 o 162.2874 1.868561 263.6149       6.091977      270.5577       10.03876      256.6012       6.904571      164.4194 3.052791 160.1553 2.155587 4.264160       3.737123 
1 1 1 4  10 25 o 172.8457 1.860644 299.1792       6.376774      281.9638       10.11669      316.4654       7.764632      167.8399 3.013792 177.8515 2.182898 -10.01155      3.721288 
1 1 1 4  10 26 o 88.45937 3.372692 78.42561       5.954537      78.21307       11.13686      78.70899       4.223081      88.23039 6.311239 88.68834 2.380855 -0.4579468     6.745384 
1 1 1 4  10 27 o 317.9065 3.379410 1013.794       21.47317      1013.086       36.20897      1014.503       23.10970      317.5865 5.700646 318.2264 3.631015 -0.6398926     6.758820 
1 1 1 4  10 28 o 161.7230 2.819470 262.4814       9.216957      275.7294       15.81973      249.1625       9.472000      165.7214 4.772989 157.7246 3.002703 7.996826       5.638940 
1 1 1 4  10 29 o 157.9892 3.273525 251.7838       10.29380      220.2577       14.43825      283.3099       14.67204      148.0179 4.877195 167.9605 4.367704 -19.94257      6.547050 
1 1 1 4  10 30 o 103.9077 3.747541 108.7474       7.743378      102.5130       11.73905      115.0526       10.10252      100.8390 5.820687 106.9763 4.721849 -6.137344      7.495082 
1 1 1 4  10 31 o 167.8826 3.299961 283.7349       11.10144      291.8113       16.76197      275.6586       14.55160      170.2112 4.923874 165.5540 4.394819 4.657166       6.599922 
1 1 1 4  10 32 o 127.6389 3.513251 164.2191       8.983169      167.9739       13.60227      160.4643       11.73196      129.0359 5.270731 126.2418 4.646624 2.794136       7.026502 
1 1 1 4  10 33 o 171.9868 3.408396 298.1873       11.74613      306.4054       17.84590      289.9693       15.27422      174.2709 5.120162 169.7027 4.500289 4.568207       6.816793 
1 1 1 4  10 34 o 37.48487 8.297602 14.61536       7.044137      13.44641       11.07310      15.78431       8.706873      36.66462 12.54516 38.30512 10.86369 -1.640507      16.59520 
1 1 1 4  10 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 36 o 123.4029 3.999439 155.0801       9.797889      145.1618       14.99084      164.9984       12.61753      119.2030 6.287948 127.6028 4.944064 -8.399834      7.998878 
1 1 1 4  10 37 o 31.02050 8.070670 9.032760       6.750128      13.82190       10.76138      4.239376       8.147196      36.14066 12.36732 25.90035 10.37267 10.24030       16.14134 
1 1 1 4  10 38 o 143.7466 3.663906 211.1895       10.53468      212.4647       15.99684      209.8434       13.71563      143.9623 5.555912 143.5309 4.777936 0.4314728      7.327812 
1 1 1 4  10 39 o 81.32653 4.872184 69.15199       7.941744      71.05771       12.28455      67.26041       10.06001      82.12866 7.478847 80.52440 6.246563 1.604263       9.744368 
1 1 1 4  10 40 o 136.5947 3.692192 192.5572       10.07418      189.6525       14.92708      195.5327       13.53851      135.3049 5.516088 137.8845 4.909367 -2.579575      7.384383 
1 1 1 4  10 41 o 19.67856 6.524450 -6.459663      6.447619      -1.698159      10.06710      -11.22188      8.062181      22.96778 10.35851 16.38934 7.935675 6.578438       13.04890 
1 1 1 4  10 42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  10 43 o 42.59809 6.970551 23.77564       5.947453      31.05853       9.259464      16.49276       7.459997      49.70454 9.659195 35.49164 10.05258 14.21290       13.94110 
1 1 1 4  10 44 o 113.4828 3.610198 139.9901       8.196787      146.0827       12.05077      133.9682       11.12978      115.7605 5.205043 111.2052 5.004163 4.555283       7.220397 
1 1 1 4  10 45 o 28.31059 7.057424 12.31289       5.127774      10.47800       7.771716      14.14070       6.691327      25.99573 10.22242 30.62546 9.732985 -4.629725      14.11485 
1 1 1 4  11 0  o 296.3868 4.049657 879.1887       23.99526      879.1887       23.99526      879.1887       23.99526      296.3868 4.049657 296.3868 4.049657 -0.000000      0.000000 
1 1 1 4  11 1  o 153.1563 2.072137 234.6392       6.345603      233.3640       8.997337      235.9144       8.954830      152.7399 2.945313 153.5728 2.915501 -0.8328400     4.144275 
1 1 1 4  11 2  o 206.2624 2.279345 425.5670       9.401155      429.3218       13.47475      421.8830       13.12053      207.1630 3.252210 205.3618 3.194491 1.801254       4.558689 
1 1 1 4  11 3  o 405.4025 3.625514 1645.025       29.39366      1640.774       41.55070      1649.276       41.59320      404.8784 5.131256 405.9266 5.123242 -1.048126      7.251027 
1 1 1 4  11 4  o 212.0580 2.309826 449.8669       9.797889      445.4036       13.83606      454.3301       13.87149      211.0058 3.278599 213.1103 3.254533 -2.104523      4.619653 
1 1 1 4  11 5  o 212.2585 2.020214 450.7170       8.572267      445.5453       12.00826      455.8179       12.24913      211.0492 2.844896 213.4678 2.869082 -2.418610      4.040429 
1 1 1 4  11 6  f 617.8929 4.590796 3823.514       56.75408      3798.010       79.70082      3849.019       80.76351      615.8351 6.470956 619.9507 6.513704 -4.115601      9.181591 
1 1 1 4  11 7  o 157.8197 1.824372 249.1625       5.758296      250.7919       8.168448      247.4622       8.118857      158.3471 2.579286 157.2924 2.580817 1.054703       3.648744 
1 1 1 4  11 8  o 182.1162 1.889746 331.7680       6.882609      331.6263       9.727042      331.8388       9.741212      182.0871 2.670986 182.1454 2.674021 -0.5828857E-01 3.779492 
1 1 1 4  11 9  o 531.1138 3.993065 2823.180       42.41501      2835.224       60.23965      2811.137       59.72957      532.2457 5.659009 529.9818 5.635059 2.263855       7.986130 
1 1 1 4  11 10 o 241.6202 2.358187 584.0477       11.37774      569.2410       17.00284      598.8542       15.11836      238.5526 3.563752 244.6879 3.089315 -6.135330      4.716375 
1 1 1 4  11 11 o 627.1010 4.657184 3936.158       58.41185      3905.695       82.03871      3966.622       83.17223      624.6759 6.566503 629.5260 6.605942 -4.850098      9.314367 
1 1 1 4  11 12 f 605.0311 4.506221 3663.404       54.52953      3693.868       77.71716      3633.649       76.51279      607.5153 6.396313 602.5468 6.349116 4.968506       9.012442 
1 1 1 4  11 13 o 464.9391 4.103281 2163.612       38.17847      2231.623       55.46469      2096.309       52.46794      472.2046 5.872951 457.6737 5.732025 14.53091       8.206563 
1 1 1 4  11 14 o 973.4139 8.196818 9507.423       159.5433      9486.170       225.0751      9521.593       226.2795      972.5120 11.57184 974.3159 11.61222 -1.803955      16.39364 
1 1 1 4  11 15 o 329.0805 3.071931 1083.931       20.24047      1035.048       27.31082      1132.814       29.88958      321.6593 4.245301 336.5017 4.441223 -14.84241      6.143862 
1 1 1 4  11 16 o 202.1750 2.621751 409.5560       10.51342      442.2864       13.62353      376.8255       16.00393      210.2756 3.239446 194.0744 4.123142 16.20122       5.243502 
1 1 1 4  11 17 o 382.9570 3.532265 1467.204       27.05577      1470.037       38.15722      1465.078       38.36266      383.2814 4.977702 382.6325 5.012990 0.6488953      7.064530 
1 1 1 4  11 18 o 616.1215 4.622187 3800.844       56.95244      3744.168       79.34660      3856.812       81.75533      611.5611 6.487218 620.6819 6.585928 -9.120850      9.244374 
1 1 1 4  11 19 o 218.1523 2.924191 476.2213       12.83006      463.7525       13.42516      488.7609       21.86991      215.3146 3.117569 220.9901 4.948165 -5.675461      5.848382 
1 1 1 4  11 20 o 217.7081 2.764341 476.4338       12.29872      540.6196       20.64428      412.2481       13.36848      232.4210 4.441140 202.9951 3.292809 29.42592       5.528681 
1 1 1 4  11 21 o 360.5508 3.151142 1301.426       22.67754      1264.586       33.76481      1338.266       30.29340      355.4242 4.749932 365.6775 4.142092 -10.25333      6.302284 
1 1 1 4  11 22 o 534.2175 4.360204 2859.312       46.56654      2844.434       70.63972      2874.189       60.69307      532.7488 6.629741 535.6862 5.664983 -2.937378      8.720407 
1 1 1 4  11 23 o 355.8187 3.354383 1268.129       23.91025      1278.047       40.61554      1258.210       25.23505      357.0852 5.687094 354.5521 3.558722 2.533051       6.708766 
1 1 1 4  11 24 o 216.9846 2.389642 471.3330       10.40007      477.4965       17.74672      465.2403       10.84640      218.3414 4.063985 215.6279 2.515073 2.713501       4.779285 
1 1 1 4  11 25 o 77.63191 1.847443 60.34592       2.882690      63.03096       4.575181      57.65380       3.508962      79.35592 2.882697 75.90790 2.311329 3.448021       3.694886 
1 1 1 4  11 26 o 120.3646 1.827836 145.7285       4.457579      166.2736       7.134109      125.1834       5.342435      128.8843 2.767641 111.8448 2.388325 17.03953       3.655671 
1 1 1 4  11 27 o 155.7962 2.159804 243.1406       6.723916      234.4976       9.634944      251.7838       9.379901      153.0195 3.148274 158.5730 2.957597 -5.553543      4.319608 
1 1 1 4  11 28 o 238.4035 2.946517 570.3745       14.02026      566.6198       24.01651      574.0585       14.48075      237.4309 5.057580 239.3762 3.024686 -1.945267      5.893033 
1 1 1 4  11 29 o 20.36662 6.003816 0.6048761      4.743084      -1.202951      9.089437      2.412278       2.715496      23.68946 10.29818 17.04379 6.175003 6.645670       12.00763 
1 1 1 4  11 30 o 230.2072 3.097225 532.6849       14.28239      538.0692       23.61978      527.3007       16.06060      231.1592 5.108986 229.2551 3.502780 1.904068       6.194450 
1 1 1 4  11 31 o 171.9033 3.387615 297.5498       11.63986      295.2119       17.14453      299.8168       15.75597      171.1846 5.007617 172.6221 4.563718 -1.437515      6.775230 
1 1 1 4  11 32 o 182.2850 4.671579 0.000000       0.000000      ?              ?             334.8851       17.03118      ?        ?        182.2850 4.671579 ?              ?        
1 1 1 4  11 33 o 121.8611 3.781743 150.1209       9.202788      147.7830       13.85732      152.4588       12.12161      120.8141 5.734976 122.9082 4.931165 -2.094093      7.563487 
1 1 1 4  11 34 o 118.9804 4.117532 143.6740       9.847479      151.8921       15.32381      135.4560       12.36248      122.2558 6.267110 115.7049 5.342247 6.550911       8.235064 
1 1 1 4  11 35 o 52.01503 8.514877 29.70539       9.039845      22.90425       14.36740      36.51360       10.98809      45.04951 14.25634 58.98054 9.315011 -13.93102      17.02975 
1 1 1 4  11 36 o 144.9743 3.792974 213.8107       10.95267      202.1921       16.31564      225.4293       14.60828      140.8357 5.792440 149.1130 4.898392 -8.277283      7.585948 
1 1 1 4  11 37 o 39.88634 7.918999 17.10911       7.098687      10.77555       11.22896      23.44267       8.685618      33.63068 12.50688 46.14199 9.717002 -12.51131      15.83800 
1 1 1 4  11 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  11 39 o 25.29438 7.580465 2.594350       6.689201      3.161112       10.62678      2.027589       8.125941      26.93316 11.40306 23.65559 9.991204 3.277563       15.16093 
1 1 1 4  11 40 o 49.13403 7.355594 28.59312       7.072474      32.25581       11.15812      24.93750       8.685618      51.87893 11.07915 46.38914 9.678399 5.489792       14.71119 
1 1 1 4  11 41 o 54.08685 7.382957 35.07545       7.693786      27.87758       11.59735      42.28040       10.10252      46.45591 12.29012 61.71778 8.184450 -15.26188      14.76591 
1 1 1 4  11 42 o 37.32541 8.055906 18.65354       6.582934      21.24647       9.904156      16.06769       8.678535      39.67962 11.69586 34.97120 11.08140 4.708427       16.11181 
1 1 1 4  11 43 o 19.99471 6.342525 -0.2885524     5.333934      -2.879148      7.644195      2.301760       7.438744      18.57153 8.612078 21.41789 9.313570 -2.846361      12.68505 
1 1 1 4  11 44 o 74.52338 4.508099 64.87293       6.490126      45.92184       8.961915      83.80984       9.394071      62.05876 7.220508 86.98801 5.399636 -24.92925      9.016197 
1 1 1 4  11 45 o 15.89416 5.335246 -4.549677      4.808971      -9.642029      7.098687      0.5401945      6.492253      14.08049 6.945361 17.70783 8.100701 -3.627341      10.67049 
1 1 1 4  12 0  o 352.5755 5.648546 1244.750       39.80790      1244.750       39.80790      1244.750       39.80790      352.5755 5.648546 352.5755 5.648546 0.000000       0.000000 
1 1 1 4  12 1  o 326.4106 3.095335 1066.928       20.22630      1024.421       27.53044      1108.727       29.63454      319.9617 4.302146 332.8596 4.451508 -12.89789      6.190669 
1 1 1 4  12 2  o 261.6401 2.656606 684.9312       13.89982      681.9557       19.48951      687.8358       19.82957      261.0793 3.732488 262.2008 3.781369 -1.121490      5.313212 
1 1 1 4  12 3  o 436.8591 3.901435 1910.694       34.09778      1867.479       47.11205      1953.910       49.30824      431.9233 5.453751 441.7949 5.580446 -9.871552      7.802869 
1 1 1 4  12 4  o 184.9540 2.139618 342.1822       7.899237      349.0542       10.40007      335.3811       11.90199      186.8060 2.783656 183.1021 3.250096 3.703842       4.279237 
1 1 1 4  12 5  o 311.0211 2.580690 967.7452       16.05352      969.1620       22.71296      966.3282       22.69171      311.2488 3.648684 310.7933 3.650611 0.4554443      5.161381 
1 1 1 4  12 6  o 475.6123 3.631392 2264.212       34.54411      2285.465       49.29408      2242.250       48.40851      477.8806 5.157572 473.3441 5.113460 4.536530       7.262783 
1 1 1 4  12 7  o 125.7954 2.089365 158.4098       5.285050      167.4072       8.303054      149.4125       6.542552      129.3681 3.209080 122.2227 2.676488 7.145424       4.178730 
1 1 1 4  12 8  o 252.5335 2.253979 637.8900       11.38482      639.6611       16.13853      636.1188       16.06060      252.8840 3.190896 252.1830 3.184315 0.7010345      4.507957 
1 1 1 4  12 9  o 304.9388 2.746959 930.1973       16.74780      923.1127       25.02252      937.2817       22.25956      303.7713 4.118645 306.1063 3.635920 -2.334991      5.493919 
1 1 1 4  12 10 o 1041.341 8.761154 10874.74       182.4972      11030.59       261.5604      10725.96       254.5467      1048.610 12.47176 1034.072 12.30798 14.53870       17.52231 
1 1 1 4  12 11 o 304.7416 3.304883 928.7803       20.12003      939.4071       25.28464      918.8620       31.29940      306.4420 4.125519 303.0413 5.164213 3.400635       6.609766 
1 1 1 4  12 12 o 59.76971 3.083363 35.91851       3.642151      40.96268       4.983250      30.87433       5.312680      63.99025 3.893757 55.54917 4.781962 8.441082       6.166726 
1 1 1 4  12 13 o 236.5201 3.070783 559.8186       14.54451      579.1594       21.44484      540.4778       19.64537      240.6044 4.456451 232.4359 4.225976 8.168533       6.141565 
1 1 1 4  12 14 o 298.6635 2.732928 892.6493       16.32981      886.2732       21.28897      898.3169       24.77456      297.6625 3.576025 299.6644 4.133718 -2.001831      5.465856 
1 1 1 4  12 15 o 278.8363 2.651872 777.8801       14.77122      761.5857       22.11078      794.1744       19.58161      275.9080 4.006913 281.7646 3.474817 -5.856628      5.303744 
1 1 1 4  12 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 17 o 257.8947 2.445104 665.3071       12.61044      675.7921       17.95217      654.8928       17.71838      259.9201 3.453402 255.8692 3.462390 4.050873       4.890207 
1 1 1 4  12 18 o 366.2664 3.455294 1342.516       25.31298      1350.309       35.73431      1334.723       35.85475      367.3307 4.864052 365.2021 4.908891 2.128601       6.910587 
1 1 1 4  12 19 o 105.6105 2.304065 111.5812       4.866355      111.2978       6.592144      111.8645       7.162447      105.4781 3.124888 105.7429 3.386729 -0.2647705     4.608130 
1 1 1 4  12 20 o 135.6138 2.431942 184.0558       6.573724      189.9359       8.352647      178.1756       10.15211      137.7887 3.030962 133.4389 3.804029 4.349777       4.863884 
1 1 1 4  12 21 o 59.47344 3.059441 35.44384       3.608145      37.76048       4.522048      33.12012       5.622982      61.42966 3.680672 57.51723 4.888085 3.912426       6.118882 
1 1 1 4  12 22 o 92.57077 2.416296 86.36028       4.502211      100.3168       6.966915      72.33293       5.703037      100.1217 3.479225 85.01988 3.353943 15.10177       4.832592 
1 1 1 4  12 23 o 237.7938 2.655710 566.1947       12.63878      568.7451       20.92058      563.6442       14.19029      238.2730 4.390045 237.3145 2.989764 0.9584351      5.311420 
1 1 1 4  12 24 o 211.5259 2.182892 447.8832       9.245295      451.7797       15.09711      443.9868       10.68345      212.4120 3.553732 210.6397 2.535954 1.772354       4.365785 
1 1 1 4  12 25 o 84.81432 2.023911 72.19124       3.479915      78.63815       5.742002      65.66639       3.931907      88.62241 3.239588 81.00621 2.426917 7.616203       4.047822 
1 1 1 4  12 26 o 158.2234 2.035927 250.7211       6.493669      260.0727       11.10852      241.3695       6.733126      161.1362 3.446935 155.3106 2.167632 5.825623       4.071854 
1 1 1 4  12 27 o 73.83289 1.903391 54.58620       2.806886      53.62271       4.239376      55.54970       3.679699      73.17383 2.896784 74.49194 2.469864 -1.318108      3.806782 
1 1 1 4  12 28 o 165.2710 1.865449 273.6749       6.207455      284.3726       10.27963      262.9773       6.960539      168.4593 3.051075 162.0827 2.147218 6.376587       3.730898 
1 1 1 4  12 29 o 171.7424 2.815501 296.0620       9.712874      301.3045       17.32165      290.8903       8.798972      173.0652 5.004372 170.4197 2.581560 2.645477       5.631002 
1 1 1 4  12 30 o 261.1345 3.146247 685.9939       16.48567      696.9040       28.56478      675.0128       16.46442      262.8448 5.433773 259.4243 3.173261 3.420563       6.292493 
1 1 1 4  12 31 o 168.3997 2.974298 285.3644       10.15920      302.7214       17.75380      268.0782       9.889987      173.2965 5.122376 163.5029 3.024407 9.793640       5.948595 
1 1 1 4  12 32 o 175.3660 3.531685 310.3019       12.36248      296.9830       18.00176      323.5499       16.94617      171.5341 5.247284 179.1978 4.728340 -7.663773      7.063370 
1 1 1 4  12 33 f 145.6724 3.722708 214.5192       10.84640      214.2358       16.20938      214.8026       14.40991      145.4821 5.570918 145.8627 4.939545 -0.3806152     7.445416 
1 1 1 4  12 34 o 99.65692 5.351905 102.2296       10.71888      107.5430       16.98867      96.91621       13.08510      101.9562 8.331358 97.35764 6.720123 4.598579       10.70381 
1 1 1 4  12 35 o 35.92151 8.898385 13.36140       8.069265      18.53310       13.21263      8.182618       9.259464      41.33424 13.70364 30.50878 11.35496 10.82547       17.79677 
1 1 1 4  12 36 o 57.84583 6.857689 36.26565       7.892153      43.71148       12.62461      28.81982       9.479085      64.17946 9.835399 51.51220 9.559108 12.66726       13.71538 
1 1 1 4  12 37 o 50.00852 7.219567 28.52227       7.289969      40.33924       11.62569      16.70529       8.791886      61.46687 9.456879 38.55017 10.91128 22.91669       14.43913 
1 1 1 4  12 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 39 o 93.54298 4.596234 91.74451       8.579351      89.47746       12.83715      94.08241       11.38482      92.04057 6.973636 95.04541 5.989148 -3.004845      9.192469 
1 1 1 4  12 40 o 89.06268 4.818208 85.08506       8.543928      81.89703       12.85132      88.27309       11.27147      86.85448 7.398188 91.27089 6.174734 -4.416405      9.636416 
1 1 1 4  12 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  12 43 f 62.32401 4.990022 44.79541       6.202496      42.21664       8.891070      47.37417       8.650196      60.12510 7.393808 64.52290 6.703198 -4.397800      9.980043 
1 1 1 4  12 44 o 22.00909 6.666323 4.593602       5.355896      2.331515       7.948828      6.855688       7.183701      20.59667 9.251118 23.42151 9.600847 -2.824848      13.33265 
1 1 1 4  13 0  o 36.47976 6.813734 14.55868       4.480249      14.55868       4.480249      14.55868       4.480249      36.47976 6.813734 36.47976 6.813734 0.000000       0.000000 
1 1 1 4  13 1  o 261.4477 2.335100 683.8685       12.21371      700.1629       17.55543      667.5742       16.98159      264.5625 3.317824 258.3329 3.286764 6.229553       4.670201 
1 1 1 4  13 2  o 237.9227 2.216883 566.4072       10.55593      548.7667       14.54451      583.9768       15.29548      234.2247 3.104820 241.6208 3.165182 -7.396027      4.433767 
1 1 1 4  13 3  o 209.9648 2.430604 441.4363       10.20879      469.2076       14.89166      413.6650       13.97775      216.5759 3.437977 203.3537 3.436809 13.22221       4.861208 
1 1 1 4  13 4  o 350.4377 3.289253 1229.164       23.06011      1217.120       32.22039      1240.499       32.98552      348.7722 4.619116 352.1031 4.684071 -3.330872      6.578506 
1 1 1 4  13 5  o 553.6903 4.829105 3069.013       53.47394      3064.054       75.37926      3074.681       75.87518      553.2126 6.812866 554.1680 6.845865 -0.9553223     9.658210 
1 1 1 4  13 6  o 462.3026 5.040916 2140.233       46.61613      2116.854       64.83042      2162.903       66.99828      459.8216 7.049519 464.7837 7.207469 -4.962097      10.08183 
1 1 1 4  13 7  o 227.9662 3.090189 519.9327       14.08402      527.6549       19.66662      512.2107       20.16962      229.6611 4.281661 226.2713 4.456956 3.389816       6.180378 
1 1 1 4  13 8  o 166.6041 2.597789 277.7131       8.621859      286.3562       10.66928      269.0700       13.54560      169.2034 3.152799 164.0048 4.129634 5.198547       5.195577 
1 1 1 4  13 9  o 248.2582 2.621324 616.4947       13.01426      617.4158       18.25680      615.5737       18.55435      248.4442 3.674226 248.0721 3.739709 0.3721008      5.242648 
1 1 1 4  13 10 o 173.9891 2.679616 303.2882       9.259464      327.0922       12.31289      279.4842       13.83606      180.8330 3.404493 167.1451 4.138937 13.68784       5.359232 
1 1 1 4  13 11 o 87.49866 2.368926 76.65448       4.144443      70.91602       5.709413      82.46378       6.009797      84.19985 3.390394 90.79745 3.309452 -6.597603      4.737853 
1 1 1 4  13 12 o 241.4814 2.293943 583.2684       11.08019      579.9386       15.44425      586.5981       15.89057      240.7928 3.206959 242.1701 3.280870 -1.377335      4.587886 
1 1 1 4  13 13 o 320.4307 2.692704 1027.255       17.26497      1001.042       23.88191      1053.468       24.93042      316.3427 3.774690 324.5187 3.841137 -8.176056      5.385408 
1 1 1 4  13 14 o 128.3660 2.365612 164.8567       6.066473      169.1074       8.310139      160.6060       8.841478      130.0230 3.195643 126.7091 3.488889 3.313858       4.731224 
1 1 1 4  13 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 16 o 428.7613 3.414241 1839.849       29.28031      1824.972       41.13979      1854.018       41.67113      427.0693 4.816525 430.4532 4.840379 -3.383942      6.828483 
1 1 1 4  13 17 o 466.3134 3.668568 2176.364       34.21822      2208.244       49.06738      2144.484       47.70714      469.7263 5.222974 462.9004 5.153068 6.825989       7.337136 
1 1 1 4  13 18 o 485.8802 3.763118 2363.395       36.58445      2429.281       53.05595      2298.218       50.38509      492.6105 5.385183 479.1499 5.257759 13.46066       7.526236 
1 1 1 4  13 19 o 249.2127 3.047483 621.5956       15.16795      614.2277       23.38599      628.9635       19.33365      247.7155 4.720334 250.7099 3.855781 -2.994461      6.094965 
1 1 1 4  13 20 o 143.3968 2.256078 205.7344       6.463914      211.8271       8.933578      199.7126       9.344479      145.5104 3.069738 141.2832 3.307003 4.227203       4.512157 
1 1 1 4  13 21 f 259.9433 2.613529 676.5715       13.65187      707.6725       21.43067      645.4704       16.91074      265.9027 4.029795 253.9839 3.329098 11.91882       5.227059 
1 1 1 4  13 22 o 157.1286 2.201905 247.1080       6.913781      254.1216       9.606606      240.1652       9.946663      159.3514 3.014284 154.9059 3.210551 4.445526       4.403810 
1 1 1 4  13 23 o 85.70483 2.839003 73.89152       4.782758      64.61789       7.367898      83.10139       6.096227      80.30071 4.587692 91.10895 3.345570 -10.80824      5.678006 
1 1 1 4  13 24 o 308.8627 2.831768 955.7015       17.49876      959.2438       27.16204      952.1592       22.06827      309.3786 4.389774 308.3469 3.578482 1.031677       5.663537 
1 1 1 4  13 25 o 126.9718 1.961897 161.3853       4.991043      163.1564       8.189702      159.6142       5.707288      127.6472 3.207946 126.2965 2.259479 1.350639       3.923795 
1 1 1 4  13 26 o 55.98399 2.487652 31.55444       2.817513      35.91851       4.480958      27.19038       3.416155      59.86701 3.742426 52.10096 3.278399 7.766056       4.975305 
1 1 1 4  13 27 o 218.7890 2.532191 479.9761       11.05185      471.5455       17.69004      488.4066       13.24805      216.7821 4.080144 220.7960 3.000065 -4.013931      5.064382 
1 1 1 4  13 28 o 104.8572 1.795743 110.0934       3.754086      107.7555       5.987126      112.5022       4.530550      103.7041 2.886637 106.0103 2.136843 -2.306175      3.591487 
1 1 1 4  13 29 o 39.53288 2.567821 15.81264       1.996417      12.92216       2.882690      18.71021       2.762962      35.86973 4.018277 43.19602 3.198167 -7.326290      5.135643 
1 1 1 4  13 30 o 31.48527 6.657950 12.22079       5.461455      21.93367       10.45675      2.499418       3.160403      45.10015 11.54383 17.87040 6.637266 27.22975       13.31590 
1 1 1 4  13 31 o 146.0592 2.984625 214.8026       8.586436      205.7344       15.56469      223.7999       7.247461      142.6762 5.454549 149.4422 2.424839 -6.765945      5.969250 
1 1 1 4  13 32 o 85.12232 3.780946 73.39561       6.624732      80.05505       12.31289      66.74324       4.891151      88.68405 6.941999 81.56059 2.998477 7.123459       7.561892 
1 1 1 4  13 33 f 172.2771 3.703916 300.1002       12.77339      305.0593       19.05027      295.1410       17.01701      173.6091 5.486540 170.9451 4.977334 2.664063       7.407832 
1 1 1 4  13 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 35 o 187.1931 3.715001 357.4139       14.02734      404.8093       21.95492      310.0893       17.46334      199.5115 5.502170 174.8747 4.993100 24.63675       7.430001 
1 1 1 4  13 36 o 170.6447 3.708052 297.0538       12.70963      317.2447       19.47534      276.8629       16.32981      176.2777 5.524050 165.0117 4.948077 11.26602       7.416103 
1 1 1 4  13 37 o 120.3106 4.119567 149.0583       9.918325      151.1836       15.22463      146.8620       12.72379      120.8933 6.296719 119.7279 5.313630 1.165451       8.239134 
1 1 1 4  13 38 o 55.48997 7.048009 35.85475       7.679617      51.62488       12.22079      20.08461       9.301972      69.30096 8.817189 41.67898 10.99795 27.62197       14.09602 
1 1 1 4  13 39 o 108.1935 4.359187 122.5622       9.457831      128.3715       14.31781      116.7529       12.35540      110.5096 6.478084 105.8775 5.834763 4.632141       8.718373 
1 1 1 4  13 40 o 90.03969 5.084676 87.13957       9.075267      81.75533       13.82898      92.52380       11.76738      86.52146 7.991647 93.55792 6.288823 -7.036461      10.16935 
1 1 1 4  13 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  13 42 o 64.36734 5.319010 47.45919       6.813890      43.71856       9.790804      51.20689       9.479085      61.30972 7.984708 67.42496 7.029359 -6.115242      10.63802 
1 1 1 4  13 43 o 34.60451 7.294096 17.00993       5.672574      13.07094       8.388069      20.94892       7.644195      29.86850 10.84975 39.34052 9.751834 -9.472017      14.58819 
1 1 1 4  13 44 o 23.22851 6.891491 6.933618       5.459329      5.553554       7.955913      8.317224       7.481250      22.23495 9.649792 24.22206 9.841347 -1.987112      13.78298 
1 1 1 4  14 0  o 63.08276 4.010605 40.28257       5.017964      40.28257       5.017964      40.28257       5.017964      63.08276 4.010605 63.08276 4.010605 0.000000       0.000000 
1 1 1 4  14 1  o 344.4038 2.835567 1186.657       19.53202      1169.654       27.26122      1203.660       27.98384      341.9371 3.986293 346.8705 4.033760 -4.933380      5.671133 
1 1 1 4  14 2  o 228.8004 2.564586 523.7584       11.73196      535.3770       16.69821      512.0689       16.49276      231.3468 3.608913 226.2541 3.644742 5.092697       5.129171 
1 1 1 4  14 3  o 156.4814 2.339967 245.1243       7.318307      259.0808       10.47800      231.1678       10.22296      160.9404 3.255242 152.0225 3.362319 8.917984       4.679935 
1 1 1 4  14 4  o 161.2262 2.356465 260.0727       7.601687      251.5004       10.34340      268.6449       11.15103      158.5692 3.261477 163.8832 3.402129 -5.313980      4.712931 
1 1 1 4  14 5  o 636.5227 5.495177 4057.303       69.96670      4116.105       100.1751      3997.794       97.69550      641.1594 7.812027 631.8860 7.730469 9.273438       10.99035 
1 1 1 4  14 6  o 263.9610 2.596189 697.1874       13.68729      710.5771       18.26389      683.4434       20.39633      266.5348 3.426173 261.3871 3.901555 5.147644       5.192379 
1 1 1 4  14 7  o 343.0833 3.066222 1178.155       21.09769      1214.286       32.64546      1141.316       26.72989      348.3874 4.685224 337.7792 3.956709 10.60818       6.132444 
1 1 1 4  14 8  o 314.2919 3.106019 988.2903       19.53202      971.9959       27.20455      1004.585       28.01927      311.7017 4.363875 316.8822 4.421086 -5.180450      6.212038 
1 1 1 4  14 9  f 508.1190 4.507249 2584.432       45.80849      2594.351       65.00753      2574.514       64.54704      509.0932 6.384640 507.1448 6.363768 1.948364       9.014498 
1 1 1 4  14 10 o 652.4988 6.327335 4265.588       82.67632      4195.452       102.5838      4335.725       129.7884      647.2618 7.924445 657.7358 9.866299 -10.47406      12.65467 
1 1 1 4  14 11 o 370.4132 3.921027 1372.980       29.08195      1357.394       36.30107      1388.566       45.44718      368.3355 4.927718 372.4909 6.100442 -4.155396      7.842053 
1 1 1 4  14 12 o 260.1417 3.507117 678.4843       18.29931      738.9152       27.49501      618.0533       24.15112      271.7468 5.058939 248.5367 4.858664 23.21017       7.014234 
1 1 1 4  14 13 o 573.4026 4.348315 3292.176       49.88918      3219.205       69.07405      3364.438       71.97870      567.0832 6.090292 579.7220 6.208036 -12.63885      8.696630 
1 1 1 4  14 14 o 363.5631 3.035922 1322.680       22.08244      1287.257       30.44926      1358.102       31.99368      358.6960 4.244438 368.4302 4.341892 -9.734192      6.071844 
1 1 1 4  14 15 o 326.1701 3.481280 1064.803       22.59961      1098.809       27.04869      1030.797       36.20897      331.4116 4.080830 320.9286 5.641282 10.48303       6.962559 
1 1 1 4  14 16 o 309.5262 2.810433 958.5353       17.39958      964.9113       24.67537      952.1592       24.53369      310.5558 3.972777 308.4967 3.976329 2.059082       5.620867 
1 1 1 4  14 17 o 369.5856 3.300817 1367.312       24.45576      1405.568       37.54795      1329.056       31.33482      374.7343 5.009943 364.4369 4.299074 10.29733       6.601634 
1 1 1 4  14 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 19 o 375.9660 3.066585 1414.778       23.06011      1426.114       32.80840      1403.443       32.41167      377.4715 4.345812 374.4605 4.327782 3.010925       6.133171 
1 1 1 4  14 20 o 316.4816 2.694392 1002.459       17.05243      1021.588       24.41325      983.3311       23.82524      319.5006 3.820532 313.4625 3.800333 6.038147       5.388784 
1 1 1 4  14 21 o 206.0414 2.324674 425.0002       9.599521      413.0982       12.39791      436.8314       14.65787      203.1760 3.051027 208.9069 3.508229 -5.730957      4.649348 
1 1 1 4  14 22 o 110.3557 2.157606 121.9245       4.772131      116.3278       6.300971      127.5922       7.169532      107.8103 2.922248 112.9010 3.175140 -5.090691      4.315212 
1 1 1 4  14 23 o 214.1377 2.682644 459.2893       11.46275      465.7361       13.31181      452.8424       18.66062      215.6974 3.085760 212.5780 4.389122 3.119370       5.365288 
1 1 1 4  14 24 o 247.9048 2.341450 615.4321       11.61152      603.8843       16.03935      627.0507       16.79739      245.5765 3.265653 250.2332 3.356348 -4.656708      4.682900 
1 1 1 4  14 25 o 47.80676 3.275769 23.06719       3.186616      26.65904       5.200744      19.47534       3.683949      51.53803 5.045540 44.07550 4.179135 7.462536       6.551538 
1 1 1 4  14 26 o 327.1261 3.213421 1074.721       21.11186      1095.266       36.03894      1053.468       21.98326      330.0289 5.459968 324.2233 3.390142 5.805634       6.426843 
1 1 1 4  14 27 o 130.8985 2.113368 171.6579       5.532300      171.7287       8.274716      171.6579       7.346645      130.8963 3.160792 130.9008 2.806189 -0.4501343E-02 4.226736 
1 1 1 4  14 28 o 177.2928 2.146928 315.1193       7.644195      325.4628       12.14995      304.7759       9.273635      180.1570 3.372045 174.4285 2.658290 5.728439       4.293856 
1 1 1 4  14 29 o 81.08965 1.932816 65.91436       3.144109      67.70673       4.956328      64.12196       3.869564      82.17280 3.015796 80.00649 2.418281 2.166306       3.865632 
1 1 1 4  14 30 o 78.85903 1.774293 62.37210       2.814679      66.18356       4.431365      58.55354       3.472831      81.25920 2.726686 76.45886 2.271045 4.800339       3.548586 
1 1 1 4  14 31 o 35.29522 6.631738 12.14995       5.695952      11.55485       10.88890      12.74505       3.353811      35.02353 12.39720 35.56691 4.714791 -0.5433807     13.26348 
1 1 1 4  14 32 o 101.5691 3.562921 104.2133       7.282885      106.6928       13.68020      101.7337       4.998836      102.3971 6.679978 100.7412 2.481029 1.655899       7.125842 
1 1 1 4  14 33 o 163.8730 4.224299 273.2498       13.83606      270.9828       20.94184      275.5169       18.07969      162.9722 6.424973 164.7739 5.486212 -1.801743      8.448598 
1 1 1 4  14 34 o 33.31856 7.997828 5.226249       8.168448      -10.37173      12.63878      20.82140       10.35048      23.35669 10.92424 43.28043 11.68426 -19.92374      15.99566 
1 1 1 4  14 35 o 94.63698 4.767091 92.38211       9.096521      103.0797       14.22571      81.75533       11.33523      99.96675 7.115222 89.30721 6.346200 10.65954       9.534183 
1 1 1 4  14 36 o 59.99785 6.981492 39.09237       8.040927      36.35775       12.64586      41.81991       9.939578      56.75798 11.54134 63.23771 7.858902 -6.479733      13.96298 
1 1 1 4  14 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  14 38 o 129.2936 4.007495 173.3582       10.38590      180.4427       15.81973      166.2736       13.46767      131.6548 6.008035 126.9325 5.305052 4.722275       8.014990 
1 1 1 4  14 39 o 85.24578 5.067220 78.28393       8.628942      78.35477       13.32598      78.21307       10.95975      84.65194 7.871041 85.83962 6.383852 -1.187683      10.13444 
1 1 1 4  14 40 o 109.4599 6.007868 142.7530       13.21971      131.4886       16.25188      153.9466       20.84974      106.8770 7.603081 112.0429 9.304358 -5.165894      12.01574 
1 1 1 4  14 41 o 29.21281 8.315509 7.771716       8.303054      -5.660530      10.44966      21.19688       12.90799      20.70831 9.736640 37.71732 13.48290 -17.00901      16.63102 
1 1 1 4  14 42 o 30.63142 8.770043 13.58811       8.366816      14.38866       12.51126      12.78755       11.12269      31.14150 12.70190 30.12135 12.09613 1.020159       17.54009 
1 1 1 4  14 43 o 30.62243 8.921892 16.54943       9.358648      9.939578       13.91399      23.15220       12.51834      26.63576 12.08630 34.60910 13.12714 -7.973337      17.84378 
1 1 1 4  14 44 o 36.81283 9.255602 30.95934       8.954830      25.41216       12.99301      36.49944       12.32706      31.93413 12.97124 41.69154 13.20650 -9.757414      18.51120 
1 1 1 4  15 0  o 25.84829 12.42517 9.868733       7.367898      9.868733       7.367898      9.868733       7.367898      25.84829 12.42517 25.84829 12.42517 -0.000000      0.000000 
1 1 1 4  15 1  o 59.34582 5.241583 37.26456       5.744836      22.35165       7.792970      52.17039       8.437660      46.48753 8.703852 72.20411 5.842923 -25.71658      10.48317 
1 1 1 4  15 2  o 456.5738 4.611948 2086.391       42.11037      2084.974       65.20590      2087.807       53.30391      456.3795 7.143824 456.7680 5.834900 -0.3884888     9.223897 
1 1 1 4  15 3  o 477.1851 3.708927 2278.381       35.40133      2299.635       50.63305      2257.127       49.48536      479.4090 5.280777 474.9612 5.209410 4.447815       7.417855 
1 1 1 4  15 4  o 500.4458 3.855537 2505.794       38.59645      2542.634       55.36551      2469.663       53.78566      504.0865 5.491667 496.8050 5.413156 7.281525       7.711073 
1 1 1 4  15 5  o 443.3123 3.484675 1966.662       30.90975      2019.088       44.76707      1914.237       42.62754      449.2194 4.982762 437.4053 4.872775 11.81415       6.969350 
1 1 1 4  15 6  o 246.8423 2.363781 609.4811       11.66820      613.9443       16.57777      605.0179       16.42900      247.7461 3.345718 245.9385 3.340062 1.807556       4.727562 
1 1 1 4  15 7  o 234.7775 2.315561 551.3880       10.87473      560.5979       15.57885      542.1782       15.17504      236.7381 3.290314 232.8169 3.259007 3.921234       4.631123 
1 1 1 4  15 8  o 165.3589 2.171390 273.4624       7.183701      275.5169       10.18045      271.4787       10.13086      165.9693 3.066968 164.7485 3.074645 1.220856       4.342780 
1 1 1 4  15 9  f 335.4543 2.830584 1125.730       18.99359      1142.024       27.16913      1109.436       26.54569      337.8817 4.020508 333.0269 3.985517 4.854797       5.661169 
1 1 1 4  15 10 o 156.0233 2.197813 243.4949       6.858521      240.4485       9.670367      246.5412       9.727042      155.0472 3.118524 156.9995 3.097795 -1.952286      4.395625 
1 1 1 4  15 11 o 88.10420 2.971629 77.71716       5.254587      83.10139       7.977167      72.40377       6.841519      91.13650 4.376494 85.07191 4.021021 6.064583       5.943258 
1 1 1 4  15 12 o 214.5469 3.235263 460.5645       13.85732      453.9051       21.81323      467.2948       17.09494      212.9715 5.121161 216.1222 3.954924 -3.150696      6.470527 
1 1 1 4  15 13 o 190.1921 2.863214 362.1606       10.88890      382.0680       15.59302      342.2530       15.19629      195.4246 3.989525 184.9597 4.108002 10.46494       5.726429 
1 1 1 4  15 14 o 521.6686 4.719445 2724.706       49.24448      2764.379       70.55471      2685.032       68.71983      525.4631 6.713574 517.8741 6.634800 7.589050       9.438890 
1 1 1 4  15 15 o 272.4337 3.508769 742.4575       19.14945      733.2476       22.89008      752.3758       30.71138      270.7088 4.227804 274.1585 5.601027 -3.449677      7.017538 
1 1 1 4  15 16 o 58.82368 4.655910 34.66455       5.492627      33.78607       6.693452      35.54303       8.713958      58.08944 5.761333 59.55791 7.315534 -1.468464      9.311820 
1 1 1 4  15 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 18 o 359.8755 2.992186 1296.467       21.54402      1258.919       29.69122      1334.015       31.22855      354.6663 4.185796 365.0846 4.276893 -10.41827      5.984371 
1 1 1 4  15 19 o 202.1191 2.234576 408.8475       9.032760      420.2536       12.87965      397.3706       12.66712      204.9486 3.142166 199.2896 3.178068 5.659042       4.469152 
1 1 1 4  15 20 o 224.6180 2.495475 505.1261       11.17937      523.9001       14.77830      486.4230       16.77614      228.8020 3.229496 220.4341 3.805250 8.367874       4.990949 
1 1 1 4  15 21 o 108.6934 2.631175 118.3823       5.718623      112.1479       7.941744      124.6167       8.232210      105.8281 3.752190 111.5586 3.689633 -5.730530      5.262350 
1 1 1 4  15 22 o 64.38577 3.049257 41.57195       3.938992      39.17738       5.127774      43.96651       5.980750      62.53600 4.099857 66.23554 4.514759 -3.699539      6.098515 
1 1 1 4  15 23 o 39.43309 4.960176 16.11019       3.697410      19.64537       4.516380      12.56793       5.855353      44.25295 5.102914 34.61323 8.507271 9.639721       9.920352 
1 1 1 4  15 24 o 78.45413 2.595356 61.67073       4.065096      63.20807       5.389901      60.14047       6.087018      79.44044 3.392417 77.46782 3.928740 1.972618       5.190712 
1 1 1 4  15 25 o 133.1930 2.252373 177.7505       5.991377      182.8514       8.125941      172.6497       8.806056      135.1172 3.006998 131.2688 3.354206 3.848328       4.504746 
1 1 1 4  15 26 o 314.4352 2.539860 991.8326       15.96850      988.2903       23.89608      994.6663       21.18979      313.8754 3.806619 314.9951 3.363512 -1.119690      5.079720 
1 1 1 4  15 27 o 139.2033 2.132739 194.1866       5.958079      199.0041       9.606606      189.4400       7.049803      140.8758 3.409600 137.5307 2.562992 3.345108       4.265478 
1 1 1 4  15 28 o 213.0967 2.273934 455.5345       9.727042      465.6654       15.94725      445.3328       11.13686      215.3734 3.702233 210.8200 2.641320 4.553345       4.547868 
1 1 1 4  15 29 o 58.81240 2.687774 34.91250       3.190158      39.80082       5.010171      30.01710       3.951744      62.94167 3.980011 54.68313 3.613312 8.258537       5.375547 
1 1 1 4  15 30 f 69.66101 2.180604 48.69189       3.038550      48.76274       4.709079      48.62104       3.840517      69.68800 3.378688 69.63402 2.757644 0.5397797E-01  4.361207 
1 1 1 4  15 31 o 156.5098 1.941694 246.0453       6.156446      265.2444       10.23004      226.8463       6.848603      162.5548 3.146644 150.4648 2.275816 12.09007       3.883389 
1 1 1 4  15 32 o 42.56029 6.376996 21.37399       6.548929      34.13321       12.78755      8.621859       2.822472      55.89722 11.80439 29.22335 4.829138 26.67387       12.75399 
1 1 1 4  15 33 o 120.0028 3.843262 0.000000       0.000000      ?              ?             145.2326       9.224042      ?        ?        120.0028 3.843262 ?              ?        
1 1 1 4  15 34 o 118.7467 3.676425 143.1781       8.536844      135.1726       15.48676      151.2545       7.183701      114.8034 6.744900 122.6900 2.927582 -7.886589      7.352851 
1 1 1 4  15 35 o 113.7483 4.336530 132.8347       9.819141      124.4750       14.45242      141.1944       13.30472      109.9537 6.572045 117.5428 5.659523 -7.589104      8.673060 
1 1 1 4  15 36 o 58.32733 8.679991 39.41117       9.826226      41.39484       12.87257      37.43459       14.84915      60.57353 11.03406 56.08113 13.40218 4.492393       17.35998 
1 1 1 4  15 37 o 34.09529 9.295476 10.89599       9.124859      13.59519       12.04368      8.196787       13.70854      35.58974 12.99360 32.60085 13.29623 2.988892       18.59095 
1 1 1 4  15 38 o 29.65873 9.077129 0.5773882      10.63386      -8.359732      16.71238      9.514507       13.16303      26.84714 12.55880 32.47032 13.10930 -5.623182      18.15426 
1 1 1 4  15 39 o 80.11017 7.786504 75.73349       12.41916      72.26208       18.24263      79.20491       16.86115      77.38031 11.78765 82.84003 10.17694 -5.459724      15.57301 
1 1 1 4  15 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  15 41 o 60.89825 7.898528 49.44285       9.309056      51.36984       15.55052      47.51586       10.23004      58.14917 13.60006 63.64733 8.036507 -5.498161      15.79706 
1 1 1 4  15 42 o 76.72969 4.918114 67.95470       7.481250      62.73340       11.05893      73.18307       10.08127      72.78800 7.596673 80.67138 6.248355 -7.883377      9.836228 
1 1 1 4  15 43 o 30.18939 7.530961 14.47367       5.853937      10.22296       8.210957      18.71730       8.345562      26.09728 10.42913 34.28150 10.86714 -8.184223      15.06192 
1 1 1 4  16 0  f 729.5695 7.678095 5328.266       112.0062      5328.266       112.0062      5328.266       112.0062      729.5695 7.678095 729.5695 7.678095 0.000000       0.000000 
1 1 1 4  16 1  o 121.1024 2.362113 146.7204       5.722874      140.9111       7.948828      152.6005       8.232210      118.6899 3.348571 123.5150 3.332474 -4.825104      4.724226 
1 1 1 4  16 2  o 538.4233 4.451713 2902.527       47.87717      2967.705       64.25658      2836.641       70.98687      544.5347 5.900136 532.3120 6.667788 12.22272       8.903426 
1 1 1 4  16 3  o 237.3492 2.790352 563.5734       13.24805      568.6743       19.09986      558.4725       18.36307      238.4220 4.005474 236.2764 3.885929 2.145554       5.580705 
1 1 1 4  16 4  o 208.6422 2.708821 435.6270       11.29981      420.9621       15.96850      450.2211       15.98976      205.1363 3.892168 212.1480 3.768538 -7.011688      5.417643 
1 1 1 4  16 5  o 243.4679 2.837000 593.1867       13.81481      569.3827       19.31948      617.0615       19.74455      238.5731 4.048965 248.3628 3.974942 -9.789673      5.674000 
1 1 1 4  16 6  o 266.7833 2.931903 711.9940       15.64262      709.8687       22.35874      714.1194       21.88408      266.3839 4.196714 267.1826 4.095340 -0.7987366     5.863806 
1 1 1 4  16 7  o 583.0912 4.794465 3403.402       55.86851      3352.394       83.59731      3454.411       74.10406      578.6838 7.223057 587.4987 6.306743 -8.814880      9.588929 
1 1 1 4  16 8  o 227.7520 2.368225 519.0117       10.78972      539.6277       15.60719      498.4667       14.90582      232.2689 3.359725 223.2352 3.338592 9.033661       4.736449 
1 1 1 4  16 9  o 407.0955 3.300399 1658.486       26.87866      1617.395       37.16538      1699.576       38.84441      402.0540 4.621939 412.1370 4.712560 -10.08301      6.600799 
1 1 1 4  16 10 o 348.9837 2.972457 1218.537       20.75055      1230.581       29.52119      1206.493       29.15988      350.7081 4.208797 347.2592 4.198575 3.448853       5.944914 
1 1 1 4  16 11 f 132.3036 2.903356 175.2001       7.707955      166.3445       9.904156      184.1266       11.81698      128.9488 3.840344 135.6584 4.355417 -6.709564      5.806711 
1 1 1 4  16 12 o 210.9750 2.761172 445.3328       11.63278      455.1094       15.25297      435.5562       17.56252      213.2978 3.575510 208.6522 4.208563 4.645584       5.522343 
1 1 1 4  16 13 o 270.0027 2.780267 728.9969       15.01918      721.2039       20.85682      737.4984       21.60778      268.4960 3.884010 271.5093 3.979197 -3.013336      5.560534 
1 1 1 4  16 14 o 427.2831 4.053009 1827.806       34.63621      1848.351       49.28699      1807.261       48.67772      429.6843 5.735256 424.8820 5.728382 4.802368       8.106017 
1 1 1 4  16 15 o 129.4106 2.835296 167.8322       7.367898      180.9386       11.20771      154.7259       9.564099      134.4680 4.167426 124.3531 3.845541 10.11490       5.670593 
1 1 1 4  16 16 o 38.51177 6.950697 15.41591       5.422490      17.91675       7.346645      12.90799       7.977167      41.43740 9.111633 35.58614 10.49890 5.851269       13.90139 
1 1 1 4  16 17 o 40.15018 6.511964 16.83282       5.134858      16.85407       6.814599      16.80448       7.679617      40.19775 8.721295 40.10260 9.672729 0.9514999E-01  13.02393 
1 1 1 4  16 18 o 124.1433 2.771767 154.3008       6.890402      148.1373       9.266549      160.4643       10.20170      121.6656 3.808203 126.6209 4.028444 -4.955284      5.543535 
1 1 1 4  16 19 o 191.1044 2.443921 365.5611       9.337394      366.3404       12.03660      364.7110       14.28239      191.3316 3.145481 190.8772 3.741251 0.4543762      4.887843 
1 1 1 4  16 20 o 88.98071 2.987102 79.27575       5.313388      79.48829       6.499337      79.13406       8.409323      89.09940 3.647239 88.86201 4.731675 0.2373962      5.974203 
1 1 1 4  16 21 o 273.0462 2.694668 746.7082       14.70746      737.4984       21.61486      755.9181       19.95000      271.3430 3.982941 274.7493 3.630583 -3.406311      5.389337 
1 1 1 4  16 22 o 85.14204 2.966502 72.68716       5.094476      68.20974       5.927616      77.22124       8.288886      82.52551 3.591384 87.75856 4.722551 -5.233047      5.933003 
1 1 1 4  16 23 o 304.8093 2.692484 930.9057       16.41483      928.0718       23.01760      933.7395       23.40725      304.3495 3.781443 305.2691 3.833870 -0.9196777     5.384967 
1 1 1 4  16 24 o 104.5361 2.787595 109.5266       5.836935      111.2978       9.216957      107.8264       7.169532      105.3336 4.375126 103.7386 3.455576 1.595016       5.575189 
1 1 1 4  16 25 o 150.0115 2.124277 225.5002       6.373232      227.8381       8.791886      223.0915       9.224042      150.8093 2.914902 149.2137 3.090884 1.595642       4.248555 
1 1 1 4  16 26 o 274.6433 2.525661 756.6265       13.87857      741.0406       19.19196      772.2125       20.04918      271.8238 3.530221 277.4628 3.612950 -5.639069      5.051323 
1 1 1 4  16 27 o 26.25617 5.566430 7.112856       3.272339      4.092726       4.115396      10.13086       5.089518      21.52042 7.621051 30.99192 8.115427 -9.471500      11.13286 
1 1 1 4  16 28 o 256.2764 2.522400 659.2852       12.90091      650.7838       20.65137      667.7867       15.47259      254.4819 4.057531 258.0708 2.997741 -3.588882      5.044800 
1 1 1 4  16 29 o 86.28175 2.561440 74.81251       4.414363      71.69532       6.330725      77.92970       6.154321      84.46988 3.747327 88.09363 3.493057 -3.623749      5.122880 
1 1 1 4  16 30 o 244.3925 2.565784 600.0587       12.52543      591.6989       18.99359      608.3475       16.33690      242.6064 3.914488 246.1786 3.318099 -3.572220      5.131569 
1 1 1 4  16 31 o 162.0084 2.092075 263.4024       6.801846      269.3534       11.13686      257.4514       7.814223      163.7501 3.400567 160.2668 2.437880 3.483276       4.184151 
1 1 1 4  16 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 33 o 79.25964 7.598918 68.10347       9.996255      50.88101       19.38324      85.29759       4.885483      66.33818 14.96503 92.18109 2.649938 -25.84291      15.19784 
1 1 1 4  16 34 o 52.60913 8.060969 29.69830       8.976085      24.02360       17.49876      35.36591       3.977957      45.96016 15.76867 59.25810 3.356467 -13.29795      16.12194 
1 1 1 4  16 35 o 139.0485 4.685943 199.6417       12.73088      191.8487       23.57727      207.3638       9.613690      134.6980 8.751903 143.3989 3.352079 -8.700928      9.371885 
1 1 1 4  16 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  16 37 o 51.52016 9.458837 32.77298       10.42841      31.96535       17.96634      33.57353       10.57718      48.79286 15.97981 54.24745 10.12541 -5.454594      18.91767 
1 1 1 4  16 38 o 69.55569 5.839654 53.36059       8.147196      56.07396       12.41916      50.64722       10.54176      70.92679 8.754915 68.18459 7.730311 2.742195       11.67931 
1 1 1 4  16 39 o 28.34746 8.424112 7.800055       8.274716      6.893944       13.15595      8.713958       10.03876      28.43970 12.37675 28.25521 11.43148 0.1844921      16.84822 
1 1 1 4  16 40 o 29.09397 7.952631 9.195704       6.925824      5.323307       10.61969      13.07094       8.891070      26.34060 11.28385 31.84734 11.20946 -5.506739      15.90526 
1 1 1 4  16 41 o 33.67102 7.480598 14.87040       6.393069      6.168490       9.287803      23.57727       8.784801      25.29937 10.68336 42.04268 10.47393 -16.74331      14.96120 
1 1 1 4  16 42 o 17.80170 5.993536 -4.938617      5.961622      -6.734542      9.018591      -3.141984      7.800055      17.69609 8.534393 17.90732 8.417485 -0.2112293     11.98707 
1 1 1 4  16 43 o 32.07104 7.815068 18.26389       6.225166      15.84807       9.131943      20.67262       8.458915      29.27132 11.17983 34.87076 10.92303 -5.599440      15.63014 
1 1 1 4  17 0  o 82.05940 4.333159 67.91219       7.069641      67.91219       7.069641      67.91219       7.069641      82.05940 4.333159 82.05940 4.333159 0.000000       0.000000 
1 1 1 4  17 1  o 419.5236 3.378672 1761.211       28.34516      1748.459       39.83624      1773.255       40.34633      418.0472 4.764563 420.9999 4.791726 -2.952698      6.757344 
1 1 1 4  17 2  o 559.0137 4.287926 3127.815       47.94093      3165.363       68.52854      3089.558       67.06913      562.3992 6.092518 555.6281 6.035433 6.771057       8.575851 
1 1 1 4  17 3  o 504.6082 3.929062 2548.301       39.65205      2540.508       55.92518      2555.385       56.22982      503.8720 5.549543 505.3444 5.563515 -1.472351      7.858125 
1 1 1 4  17 4  o 420.8596 3.398548 1772.546       28.60728      1749.168       39.98502      1795.217       40.92726      418.1266 4.781448 423.5926 4.830970 -5.465912      6.797096 
1 1 1 4  17 5  o 430.8715 3.465834 1857.561       29.86833      1846.934       42.01119      1868.187       42.46460      429.6396 4.889120 432.1033 4.913709 -2.463715      6.931669 
1 1 1 4  17 6  f 196.2041 2.554874 385.1144       10.03876      379.0925       12.93633      391.1362       15.35215      194.6751 3.322543 197.7330 3.882039 -3.057907      5.109747 
1 1 1 4  17 7  o 283.1044 3.114281 801.9674       17.64045      814.7195       25.50426      789.2153       24.37074      285.3531 4.468896 280.8557 4.338659 4.497406       6.228562 
1 1 1 4  17 8  o 334.2802 3.420148 1118.645       22.86882      1072.596       31.66071      1164.695       33.01385      327.3970 4.835217 341.1634 4.838422 -13.76645      6.840296 
1 1 1 4  17 9  o 184.4421 3.045665 340.6236       11.22188      321.6371       15.94017      359.6101       15.79139      179.2946 4.445243 189.5895 4.164627 -10.29488      6.091330 
1 1 1 4  17 10 o 161.8049 3.237050 261.9855       10.47800      262.4105       15.40883      261.4896       14.19737      161.9436 4.757467 161.6662 4.390954 0.2774506      6.474100 
1 1 1 4  17 11 o 371.2089 3.779894 1379.356       28.08303      1422.571       41.10437      1336.140       38.27765      377.0197 5.451223 365.3981 5.237801 11.62161       7.559788 
1 1 1 4  17 12 o 59.76238 5.722680 35.79099       6.830184      36.68364       9.252379      34.90542       10.05293      60.51134 7.645162 59.01342 8.517496 1.497925       11.44536 
1 1 1 4  17 13 o 405.5052 3.372871 1645.734       27.35332      1656.360       38.86567      1635.107       38.50436      406.8139 4.776835 404.1964 4.763074 2.617493       6.745742 
1 1 1 4  17 14 o 280.3854 2.729020 787.0900       15.30964      769.3787       21.00560      804.0928       22.28081      277.2952 3.787587 283.4755 3.929935 -6.180328      5.458041 
1 1 1 4  17 15 o 444.6463 3.566624 1979.414       31.71739      1978.706       44.82375      1980.123       44.88750      444.5670 5.041282 444.7256 5.046652 -0.1585693     7.133247 
1 1 1 4  17 16 o 129.9453 2.450800 168.9658       6.368274      171.7287       8.898154      166.2028       9.110690      131.0094 3.395999 128.8813 3.534526 2.128006       4.901600 
1 1 1 4  17 17 o 173.2435 2.302013 300.4544       7.984251      288.7650       10.87473      312.0730       11.68946      169.8836 3.200643 176.6034 3.309522 -6.719772      4.604026 
1 1 1 4  17 18 o 333.9907 3.136042 1117.229       20.97726      1133.523       32.09995      1100.934       26.99910      336.3871 4.771282 331.5942 4.071105 4.792847       6.272083 
1 1 1 4  17 19 o 87.58730 3.402854 77.64632       5.863855      93.16142       8.246379      62.16664       8.338477      96.43517 4.275608 78.73942 5.294983 17.69575       6.805709 
1 1 1 4  17 20 o 88.81261 3.260142 79.13406       5.800803      73.11222       7.757547      85.22675       8.628942      85.41305 4.541195 92.21217 4.678853 -6.799118      6.520285 
1 1 1 4  17 21 o 240.8167 2.845024 581.1430       13.70146      563.5734       18.97942      598.7834       19.77997      237.1710 4.001211 244.4623 4.045608 -7.291336      5.690047 
1 1 1 4  17 22 o 159.8910 2.425855 256.2470       7.715039      271.6913       10.10961      240.8736       11.65403      164.7271 3.068593 155.0549 3.758034 9.672165       4.851709 
1 1 1 4  17 23 o 70.08992 3.420442 49.31533       4.810388      48.13221       5.662655      50.49844       7.778800      69.28601 4.086434 70.89383 5.486233 -1.607819      6.840884 
1 1 1 4  17 24 o 91.13277 2.724751 83.31393       4.961287      85.36844       6.816014      81.25941       7.212039      92.26769 3.693608 89.99786 4.006784 2.269836       5.449501 
1 1 1 4  17 25 o 222.7928 2.346782 497.6873       10.45675      487.9108       14.44533      507.4640       15.13253      220.6119 3.273924 224.9736 3.363179 -4.361679      4.693565 
1 1 1 4  17 26 o 141.1648 2.189766 199.7834       6.175574      207.0096       8.572267      192.6281       8.891070      143.7180 2.982323 138.6117 3.207187 5.106277       4.379532 
1 1 1 4  17 27 o 35.53480 5.185083 13.27639       3.570597      13.34015       4.624773      13.21971       5.441618      35.71983 6.720478 35.34976 7.897817 0.3700714      10.37017 
1 1 1 4  17 28 o 138.7670 2.172058 193.1240       6.033884      188.5190       8.090520      197.7997       8.954830      137.1157 2.950252 140.4182 3.188628 -3.302490      4.344115 
1 1 1 4  17 29 o 61.93334 3.120757 38.85150       3.907111      44.92293       6.181242      32.78006       4.781341      66.78239 4.627898 57.08430 4.187965 9.698090       6.241514 
1 1 1 4  17 30 o 142.8851 2.406935 205.0968       6.876233      205.4510       11.29272      204.7426       7.856731      142.8953 3.951396 142.8750 2.749513 0.2037048E-01  4.813871 
1 1 1 4  17 31 o 138.6114 2.475513 193.1948       6.866314      194.0449       11.18645      192.3447       7.962997      138.7925 4.029922 138.4303 2.876177 0.3621826      4.951026 
1 1 1 4  17 32 o 43.08322 3.973289 18.90149       3.403403      17.88132       5.188701      19.92166       4.405862      41.83825 6.200907 44.32819 4.969594 -2.489948      7.946578 
1 1 1 4  17 33 o 95.97118 2.127316 92.87803       4.135233      102.3713       6.726042      83.31393       4.813930      100.8515 3.334625 91.09081 2.642380 9.760735       4.254632 
1 1 1 4  17 34 o 93.32355 2.010984 88.20225       3.728581      102.9380       5.399819      73.46645       5.143360      101.2058 2.667741 85.44125 3.009881 15.76458       4.021968 
1 1 1 4  17 35 o 94.73629 7.298670 0.000000       0.000000      ?              ?             94.08241       13.82898      ?        ?        94.73629 7.298670 ?              ?        
1 1 1 4  17 36 o 103.3299 3.856876 110.2351       8.203872      121.7120       15.21046      98.75818       6.155029      107.7466 7.058442 98.91315 3.111330 8.833420       7.713753 
1 1 1 4  17 37 o 40.44265 8.526348 19.15654       8.019674      12.47583       12.46875      25.83724       10.09544      34.12160 13.05456 46.76369 10.97146 -12.64209      17.05270 
1 1 1 4  17 38 o 67.23901 6.312384 50.47719       8.380984      47.05537       12.94341      53.89193       10.64803      63.95814 10.11866 70.51987 7.549666 -6.561733      12.62477 
1 1 1 4  17 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  17 40 o 33.86599 9.402987 19.64537       9.585353      30.96643       16.59903      8.324308       9.585353      40.77993 15.19811 26.95204 11.07619 13.82789       18.80597 
1 1 1 4  17 41 o 53.04387 9.436796 47.77798       10.63386      67.45878       16.58486      28.09720       13.30472      66.43482 12.94387 39.65292 13.73568 26.78190       18.87359 
1 1 1 4  17 42 o 34.91780 8.829352 22.77672       8.791886      11.44150       12.54668      34.11195       12.31998      26.68893 11.82354 43.14668 13.11616 -16.45775      17.65870 
1 1 1 4  18 0  f 66.23115 5.657525 44.83791       7.389152      44.83791       7.389152      44.83791       7.389152      66.23115 5.657525 66.23115 5.657525 0.000000       0.000000 
1 1 1 4  18 1  o 266.6348 2.609560 711.2856       13.91399      726.1631       19.95709      696.4081       19.40449      269.4232 3.703669 263.8463 3.677235 5.576935       5.219121 
1 1 1 4  18 2  o 238.7090 2.713714 570.0912       12.95758      568.1783       17.00284      571.9331       19.56035      238.3226 3.567191 239.0954 4.090491 -0.7728119     5.427428 
1 1 1 4  18 3  o 596.8661 4.567901 3567.055       54.51536      3560.678       77.00871      3572.722       77.22124      596.3626 6.456534 597.3696 6.463439 -1.006958      9.135802 
1 1 1 4  18 4  f 384.4944 3.236025 1479.247       24.88083      1472.163       35.03294      1486.332       35.35174      383.5742 4.566645 385.4147 4.586195 -1.840485      6.472050 
1 1 1 4  18 5  o 498.2050 3.970307 2484.541       39.56703      2536.258       57.01619      2432.823       54.88376      503.3869 5.663258 493.0230 5.566045 10.36392       7.940613 
1 1 1 4  18 6  o 487.8751 3.886959 2382.523       37.93050      2381.815       53.65814      2382.523       53.61563      487.8386 5.499579 487.9116 5.494401 -0.7296753E-01 7.773919 
1 1 1 4  18 7  o 158.2903 2.751609 250.6502       8.713958      245.3369       12.07910      256.0345       12.56085      156.6019 3.856627 159.9786 3.925791 -3.376663      5.503218 
1 1 1 4  18 8  o 253.4589 2.757164 642.7074       13.97775      646.5331       19.81540      638.8109       19.71621      254.2204 3.897288 252.6975 3.901149 1.522842       5.514328 
1 1 1 4  18 9  f 176.2258 3.105586 310.7269       10.93850      313.8441       14.39574      307.6097       16.47150      177.1164 4.063921 175.3351 4.697150 1.781311       6.211173 
1 1 1 4  18 10 o 218.0977 3.014917 476.0087       13.17012      464.4610       17.04535      487.5565       20.09169      215.4605 3.955562 220.7349 4.551091 -5.274368      6.029835 
1 1 1 4  18 11 o 316.7240 3.810226 1004.585       24.22197      964.9113       30.26506      1044.258       37.83841      310.4976 4.873639 322.9505 5.858237 -12.45294      7.620453 
1 1 1 4  18 12 o 249.4928 3.105019 622.9417       15.49384      622.7291       22.22413      623.1542       21.59361      249.4475 4.454672 249.5381 4.326715 -0.9068298E-01 6.210038 
1 1 1 4  18 13 f 528.3947 6.777555 0.000000       0.000000      ?              ?             2797.676       71.62447      ?        ?        528.3947 6.777555 ?              ?        
1 1 1 4  18 14 o 106.0169 3.338790 112.8564       6.991002      101.0252       10.65512      124.6167       9.054014      100.4451 5.303952 111.5888 4.056866 -11.14371      6.677580 
1 1 1 4  18 15 o 394.8081 3.566838 1560.719       28.24597      1610.311       43.86733      1511.836       35.59262      400.9926 5.469842 388.6235 4.579319 12.36911       7.133676 
1 1 1 4  18 16 o 157.6867 2.390124 248.9500       7.545012      236.1270       10.28672      261.8438       11.03768      153.6133 3.348252 161.7602 3.411742 -8.146896      4.780248 
1 1 1 4  18 17 o 316.0682 2.819590 1000.334       17.82465      991.1240       24.95876      1009.544       25.45467      314.6154 3.966551 317.5210 4.008345 -2.905670      5.639180 
1 1 1 4  18 18 o 220.5215 2.566335 486.9189       11.30689      479.2677       16.67695      494.6411       15.28131      218.7662 3.811593 222.2767 3.437451 -3.510452      5.132671 
1 1 1 4  18 19 o 420.9026 3.418737 1776.089       28.79148      1832.056       41.74198      1720.829       39.66621      427.4823 4.882305 414.3230 4.786872 13.15936       6.837473 
1 1 1 4  18 20 f 202.0943 2.361659 408.9892       9.549930      403.1799       13.22680      414.7986       13.77230      200.6625 3.295781 203.5261 3.383424 -2.863602      4.723318 
1 1 1 4  18 21 o 53.23333 4.367159 28.60020       4.641068      32.26998       6.788385      24.93042       6.331434      56.67079 5.989316 49.79586 6.357389 6.874924       8.734318 
1 1 1 4  18 22 o 216.0053 2.739759 467.6490       11.83823      468.9951       17.00993      466.3738       16.46442      216.3004 3.932016 215.7102 3.816329 0.5901489      5.479517 
1 1 1 4  18 23 o 202.1165 3.261413 410.9020       13.34015      443.2074       22.01160      378.5966       15.08294      209.9495 5.242117 194.2834 3.881684 15.66606       6.522826 
1 1 1 4  18 24 o 44.73442 5.731765 20.69388       4.997419      20.82848       5.474916      20.55927       8.359732      45.44798 6.023277 44.02085 9.753597 1.427132       11.46353 
1 1 1 4  18 25 o 147.4626 2.821463 218.3448       8.267632      225.0751       9.479085      211.6145       13.55977      149.8420 3.163027 145.0832 4.673100 4.758804       5.642925 
1 1 1 4  18 26 o 21.96166 5.936265 0.9415324      4.230165      6.874816       5.365105      -4.992460      6.540427      26.47277 8.732343 17.45055 8.043827 9.022221       11.87253 
1 1 1 4  18 27 o 84.61096 3.009184 71.97870       5.094476      71.27025       6.738085      72.68716       7.644195      84.22102 4.000239 85.00091 4.496537 -0.7798920     6.018369 
1 1 1 4  18 28 o 142.3259 2.486989 203.4673       7.072474      207.6472       9.642029      199.2875       10.35048      143.8162 3.352206 140.8357 3.674666 2.980515       4.973978 
1 1 1 4  18 29 o 98.37238 2.573029 97.27043       5.061888      96.84536       6.915907      97.69550       7.396237      98.17332 3.522294 98.57143 3.751714 -0.3981094     5.146058 
1 1 1 4  18 30 o 169.5019 2.387763 288.6941       8.083434      286.2145       13.09219      291.1028       9.479085      168.6573 3.881298 170.3465 2.782295 -1.689178      4.775525 
1 1 1 4  18 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 32 o 140.0361 2.309478 197.5872       6.543969      213.3857       10.74721      181.7887       7.467082      145.5294 3.692454 134.5428 2.774985 10.98666       4.618956 
1 1 1 4  18 33 o 66.84337 2.721745 45.14255       3.653486      46.84283       5.798677      43.43518       4.446952      68.03162 4.261752 65.65511 3.386600 2.376511       5.443490 
1 1 1 4  18 34 o 45.87714 3.207832 21.55110       2.952118      25.22797       4.499377      17.86716       3.822098      49.82761 4.514944 41.92668 4.558073 7.900928       6.415665 
1 1 1 4  18 35 o 19.41882 4.411886 3.246126       2.226664      6.590019       3.181657      -0.9762465E-01 3.115771      24.71104 6.391419 14.12659 6.083478 10.58446       8.823771 
1 1 1 4  18 36 o 20.88335 6.400574 -8.260548      7.828392      -20.16254      15.30964      3.635775       3.265963      22.32770 10.84667 19.43900 6.798470 2.888700       12.80115 
1 1 1 4  18 37 o 37.77472 10.08231 18.41266       10.52759      16.95325       15.88349      19.87207       13.82190      36.79540 14.56802 38.75404 13.94220 -1.958641      20.16463 
1 1 1 4  18 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  18 39 o 40.18726 9.687888 23.17346       11.56902      50.54803       18.15762      -4.195451      14.33198      55.97877 15.62811 24.39576 11.45351 31.58301       19.37578 
1 1 1 4  18 40 o 64.18719 7.952365 55.19548       9.663282      59.27616       11.51943      51.10771       15.52218      70.79994 8.135195 57.57444 13.66671 13.22550       15.90473 
1 1 1 4  18 41 o 25.94805 7.551736 9.309056       6.391652      13.89274       9.833311      4.726790       8.168448      29.37508 11.51285 22.52102 9.775948 6.854065       15.10347 
1 1 1 4  18 42 o 26.74027 7.460194 11.71071       6.343478      5.225540       9.011506      18.19304       8.926493      21.86343 9.833662 31.61711 11.22128 -9.753675      14.92039 
1 1 1 4  19 0  o 23.82738 13.10069 8.012589       8.862731      8.012589       8.862731      8.012589       8.862731      23.82738 13.10069 23.82738 13.10069 0.000000       0.000000 
1 1 1 4  19 1  o 179.8649 2.774661 323.6916       9.982086      319.7243       13.92108      327.5881       14.31073      178.7728 3.893510 180.9569 3.954182 -2.184036      5.549322 
1 1 1 4  19 2  o 683.1863 5.185939 4673.656       70.84518      4700.578       100.7418      4647.444       99.67917      685.1255 7.352072 681.2470 7.315934 3.878540       10.37188 
1 1 1 4  19 3  o 278.3942 2.864211 775.7547       15.94725      786.3815       22.75547      764.4195       22.35165      280.3653 4.058183 276.4230 4.043016 3.942291       5.728423 
1 1 1 4  19 4  o 283.6904 2.917609 805.5097       16.55652      805.5097       23.37891      804.8012       23.44267      283.7530 4.119588 283.6278 4.132647 0.1252136      5.835219 
1 1 1 4  19 5  o 646.6835 4.953702 4187.659       64.07946      4257.087       91.95705      4118.230       89.26492      652.0391 7.051497 641.3278 6.959384 10.71136       9.907404 
1 1 1 4  19 6  o 306.5854 3.075515 940.1155       18.85899      929.4888       26.47484      951.4508       26.86449      304.7958 4.343047 308.3752 4.355814 -3.579376      6.151030 
1 1 1 4  19 7  o 391.2120 3.419500 1531.673       26.75822      1558.594       38.34849      1504.752       37.32832      394.6490 4.858558 387.7750 4.813143 6.873993       6.839000 
1 1 1 4  19 8  o 252.2802 2.800328 636.8273       14.12653      637.9609       20.05627      635.6229       19.90749      252.5113 3.971361 252.0490 3.949133 0.4623718      5.600657 
1 1 1 4  19 9  o 225.6029 2.680672 509.3060       12.09327      501.0880       16.94617      517.4532       17.26497      223.7905 3.786167 227.4153 3.795912 -3.624771      5.361344 
1 1 1 4  19 10 o 278.5682 3.196081 776.4632       17.81048      800.5505       25.54677      753.0842       24.81706      282.8247 4.516362 274.3116 4.523517 8.513092       6.392162 
1 1 1 4  19 11 f 144.9097 2.737210 210.1268       7.934660      209.4184       11.06602      210.8353       11.37065      144.6665 3.824665 145.1528 3.916787 -0.4862976     5.474421 
1 1 1 4  19 12 o 423.4139 3.477452 1795.217       29.45034      1776.797       41.23898      1812.928       42.05370      421.2853 4.894424 425.5426 4.941185 -4.257294      6.954905 
1 1 1 4  19 13 o 220.7990 2.721611 487.8399       12.02951      484.0143       15.50093      491.7364       18.39141      219.9379 3.523932 221.6600 4.148562 -1.722122      5.443222 
1 1 1 4  19 14 o 137.5992 2.788352 189.5817       7.651280      195.9578       9.911241      183.1348       11.65403      139.9381 3.541294 135.2604 4.308000 4.677750       5.576704 
1 1 1 4  19 15 o 107.9684 3.405675 117.4613       7.297054      99.32494       10.21588      135.5977       10.42841      99.57128 5.129930 116.3656 4.480882 -16.79433      6.811349 
1 1 1 4  19 16 o 65.66929 4.907112 44.33491       6.199661      30.95934       8.841478      57.71757       8.692703      55.48028 7.968127 75.85829 5.729567 -20.37801      9.814223 
1 1 1 4  19 17 o 93.00558 3.580195 86.78535       6.650237      82.10956       9.457831      91.46112       9.351563      90.49053 5.225868 95.52065 4.895049 -5.030113      7.160391 
1 1 1 4  19 18 o 92.96917 3.264739 86.71449       6.093394      91.95705       9.301972      81.47195       7.870899      95.77058 4.856383 90.16776 4.364586 5.602814       6.529477 
1 1 1 4  19 19 o 110.2408 2.971633 122.0662       6.597811      134.3224       10.26547      109.8809       8.288886      115.7580 4.434020 104.7235 3.957510 11.03452       5.943266 
1 1 1 4  19 20 o 175.7918 2.616573 309.8768       9.245295      326.9505       14.45950      292.7323       11.52651      180.6213 4.002713 170.9623 3.371068 9.658966       5.233145 
1 1 1 4  19 21 o 131.6869 2.576035 173.7832       6.784843      173.1456       8.813140      174.4208       10.32214      131.4667 3.351853 131.9070 3.912658 -0.4403229     5.152069 
1 1 1 4  19 22 o 22.03470 6.339826 2.008461       4.415071      1.854727       5.565597      2.162195       6.854979      20.95558 8.497926 23.11383 9.410569 -2.158251      12.67965 
1 1 1 4  19 23 o 166.8958 2.638721 279.6967       8.827310      262.7648       11.64695      296.6288       13.27639      161.8584 3.597883 171.9333 3.860911 -10.07498      5.277442 
1 1 1 4  19 24 f 115.8188 3.341430 134.8892       7.736294      138.4315       11.05893      131.3470       10.83223      117.3415 4.712285 114.2961 4.738671 3.045464       6.682861 
1 1 1 4  19 25 o 159.5959 2.895399 255.9636       9.238212      256.0345       14.90582      255.8928       10.92433      159.4996 4.672684 159.6921 3.420435 -0.1924438     5.790799 
1 1 1 4  19 26 o 46.72587 5.650875 22.84757       5.117856      18.05135       6.995961      27.64379       7.474166      41.26702 8.743336 52.18472 7.161259 -10.91771      11.30175 
1 1 1 4  19 27 o 76.71616 3.364038 59.33284       5.151861      60.14756       6.285384      58.51812       8.161365      77.32630 4.064196 76.10603 5.361838 1.220276       6.728076 
1 1 1 4  19 28 o 162.3557 2.562569 264.8901       8.295970      271.9038       10.61261      257.9473       12.75922      164.5767 3.224214 160.1346 3.983903 4.442017       5.125138 
1 1 1 4  19 29 o 55.96200 4.307340 32.18496       4.655237      39.54578       6.173449      24.82415       6.969748      62.58488 4.932061 49.33912 7.063106 13.24577       8.614679 
1 1 1 4  19 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  19 31 o 73.02551 3.231686 53.99820       4.758671      57.62547       7.693786      50.37092       5.605979      75.37995 5.103337 70.67108 3.966247 4.708870       6.463371 
1 1 1 4  19 32 o 76.05666 3.054835 58.94318       4.745210      68.63481       7.863815      49.25156       5.316222      82.25328 4.780244 69.86003 3.804910 12.39325       6.109670 
1 1 1 4  19 33 f 131.5522 2.450014 174.5625       6.438409      173.7124       10.30089      175.4835       7.729208      131.0524 3.930064 132.0520 2.926579 -0.9995270     4.900027 
1 1 1 4  19 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  19 35 o 76.10568 2.408254 59.02112       3.701661      68.37268       5.829850      49.66956       4.563846      82.13325 3.549019 70.07813 3.256256 12.05512       4.816507 
1 1 1 4  19 36 o 70.79794 2.044814 50.81725       2.904652      55.89685       4.387442      45.73765       3.808637      74.32885 2.951372 67.26704 2.830983 7.061813       4.089629 
1 1 1 4  19 37 o 20.32916 6.325274 -3.889400      6.659447      -10.69054      12.85840      2.913154       3.470705      22.20366 10.58009 18.45466 6.935277 3.749004       12.65055 
1 1 1 4  19 38 o 34.40356 6.376240 8.359732       9.911241      -4.644610      19.39032      21.36691       4.131691      24.26542 11.87917 44.54171 4.638001 -20.27630      12.75248 
1 1 1 4  19 39 o 52.25118 7.393696 35.55719       7.523758      27.82090       10.96683      43.29349       10.30089      44.11737 12.07962 60.38499 8.529346 -16.26761      14.78739 
1 1 1 4  19 40 o 50.96452 7.371680 35.48635       7.254546      33.67979       10.39299      37.29290       10.13086      48.95905 10.89817 52.97000 9.929574 -4.010956      14.74336 
1 1 1 4  19 41 o 19.05516 6.348393 -1.844808      6.269090      -2.845142      9.202788      -0.8444744     8.508506      18.90558 8.981053 19.20475 8.974914 -0.2991619     12.69679 
1 1 1 4  20 0  o 306.8212 4.377560 942.2409       26.85032      942.2409       26.85032      942.2409       26.85032      306.8212 4.377560 306.8212 4.377560 -0.000000      0.000000 
1 1 1 4  20 1  o 518.7015 4.168182 2693.534       43.24390      2735.332       62.00370      2651.735       60.30341      522.7230 5.930837 514.6801 5.858340 8.042969       8.336365 
1 1 1 4  20 2  o 362.5387 3.303174 1315.595       23.95275      1314.886       33.76481      1315.595       33.97735      362.4906 4.657336 362.5867 4.685410 -0.9613037E-01 6.606349 
1 1 1 4  20 3  o 118.2925 3.768808 140.1318       8.905238      144.5950       12.31289      135.5977       12.87257      120.1964 5.121989 116.3885 5.529999 3.807861       7.537616 
1 1 1 4  20 4  o 132.9724 3.315423 177.1129       8.806056      187.8814       12.49709      166.3445       12.41208      137.0212 4.560275 128.9236 4.813731 8.097580       6.630846 
1 1 1 4  20 5  o 145.7717 3.085946 212.7481       8.990252      222.3830       12.78755      203.1131       12.64586      149.0760 4.288939 142.4675 4.438159 6.608490       6.171892 
1 1 1 4  20 6  o 187.7946 2.942520 352.9507       11.04476      347.9207       16.34398      357.9099       14.85623      186.4589 4.382730 189.1302 3.927516 -2.671234      5.885040 
1 1 1 4  20 7  o 277.7484 2.813940 772.2125       15.63553      801.9674       22.59961      742.4575       21.61486      283.1010 3.991441 272.3958 3.967547 10.70517       5.627880 
1 1 1 4  20 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  20 9  o 43.91962 6.362470 20.07752       5.516714      14.16904       7.509589      25.98601       8.083434      36.93548 9.943930 50.90376 7.939920 -13.96828      12.72494 
1 1 1 4  20 10 o 277.0262 3.203597 767.9618       17.76089      789.2153       25.73097      747.4167       24.47701      280.7916 4.581862 273.2607 4.478691 7.530884       6.407194 
1 1 1 4  20 11 o 62.03531 4.387025 38.70272       5.440201      33.97735       7.367898      43.42101       8.005506      58.23428 6.326084 65.83633 6.079853 -7.602058      8.774050 
1 1 1 4  20 12 f 190.7433 2.951309 364.4276       11.25730      382.7057       16.09602      346.0787       15.73471      195.5419 4.115747 185.9448 4.231019 9.597168       5.902618 
1 1 1 4  20 13 o 105.7273 3.262295 111.9354       6.900320      111.7937       9.358648      112.0771       10.13795      105.6661 4.428407 105.7886 4.791607 -0.1224976     6.524590 
1 1 1 4  20 14 o 209.7041 2.510183 440.4445       10.52759      458.2266       15.16087      422.5915       14.61536      213.9483 3.543115 205.4600 3.556741 8.488297       5.020366 
1 1 1 4  20 15 o 76.16580 3.500279 58.16389       5.336059      56.39985       7.332476      59.92794       7.750463      75.01280 4.887483 77.31880 5.012017 -2.306000      7.000557 
1 1 1 4  20 16 o 156.5373 2.483538 245.4077       7.771716      249.6584       10.86057      241.0862       11.12269      157.9088 3.438874 155.1659 3.584130 2.742874       4.967075 
1 1 1 4  20 17 o 91.04019 3.103723 83.10139       5.650611      83.24309       7.743378      82.88886       8.232210      91.14359 4.247900 90.93678 4.526337 0.2068100      6.207446 
1 1 1 4  20 18 o 337.6794 3.825515 1144.150       25.84432      1140.607       32.37625      1148.400       40.28965      337.2372 4.800219 338.1216 5.957866 -0.8843689     7.651031 
1 1 1 4  20 19 o 23.86189 7.163183 -1.703827      6.301678      -8.118857      8.926493      4.708370       8.898154      19.84725 9.243130 27.87654 10.94574 -8.029289      14.32637 
1 1 1 4  20 20 o 90.66821 4.296778 83.24309       7.785885      96.77451       11.60444      69.75417       10.37882      98.08749 5.915352 83.24893 6.233605 14.83856       8.593556 
1 1 1 4  20 21 o 227.0715 3.235878 517.8782       14.70037      520.0036       22.87591      515.6821       18.46934      227.4440 5.028910 226.6991 4.073536 0.7449036      6.471757 
1 1 1 4  20 22 o 160.2582 2.966168 257.9473       9.457831      249.0917       15.01209      266.8029       11.51234      157.4111 4.768434 163.1052 3.529115 -5.694092      5.932336 
1 1 1 4  20 23 o 143.2294 2.452601 205.8761       7.020049      214.5900       9.847479      197.0913       10.00334      146.2870 3.365808 140.1718 3.568243 6.115234       4.905203 
1 1 1 4  20 24 o 54.10883 4.423002 30.29340       4.540468      39.39700       6.066473      21.18979       6.757213      62.55122 4.849205 45.66644 7.398445 16.88478       8.846004 
1 1 1 4  20 25 o 45.21334 4.985070 20.77889       4.510713      19.00776       6.125983      22.55002       6.621899      43.28040 7.077087 47.14629 7.022716 -3.865891      9.970140 
1 1 1 4  20 26 o 70.88278 3.520805 50.72515       5.005920      48.16055       6.559555      53.28975       7.559181      69.11850 4.745152 72.64707 5.202674 -3.528572      7.041611 
1 1 1 4  20 27 o 63.66046 4.308381 41.37358       5.385650      34.17571       7.885069      48.57145       7.339560      57.97766 6.800091 69.34325 5.292195 -11.36559      8.616761 
1 1 1 4  20 28 f 23.39081 7.015987 0.5306304      5.735625      2.538383       8.303054      -1.477122      7.913406      25.07991 10.30810 21.70170 9.520473 3.378208       14.03197 
1 1 1 4  20 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  20 30 o 34.25304 7.666268 12.27038       6.072140      12.50417       6.854979      12.04368       10.02459      34.01330 9.637109 34.49279 11.92530 -0.4794960     15.33254 
1 1 1 4  20 31 o 22.47519 6.507097 1.629439       4.846519      4.118939       5.924782      -0.8600605     7.672533      23.40306 8.985758 21.54733 9.414106 1.855722       13.01419 
1 1 1 4  20 32 o 26.85290 5.977490 7.382068       3.683241      5.238293       5.377149      9.528677       5.034258      24.02168 8.690729 29.68412 8.209310 -5.662441      11.95498 
1 1 1 4  20 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  20 34 o 19.94956 5.581597 2.672988       3.334682      4.036758       5.234750      1.309927       4.133108      22.23837 8.472999 17.66074 7.268095 4.577625       11.16319 
1 1 1 4  20 35 o 44.98836 3.666732 20.94892       3.331848      23.23013       5.299928      18.67479       4.039592      47.32582 5.599403 42.65089 4.735649 4.674938       7.333464 
1 1 1 4  20 36 o 52.46583 2.969570 28.36641       3.134191      31.61112       4.826682      25.11462       3.999210      55.42884 4.353945 49.50282 4.039376 5.926018       5.939141 
1 1 1 4  20 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  20 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  20 39 o 21.73703 6.967651 -0.1853310     6.713998      6.349853       9.897071      -6.721082      9.075267      25.22770 10.85295 18.24636 8.741055 6.981339       13.93530 
1 1 1 4  20 40 o 31.88192 8.100009 16.92491       6.738085      22.27372       10.08127      11.58319       8.940661      36.26908 11.97014 27.49476 10.91588 8.774321       16.20002 
1 1 1 4  20 41 o 28.52051 7.670668 14.96959       6.206038      11.76738       8.876901      18.17179       8.678535      25.68313 10.62038 31.35789 11.07087 -5.674755      15.34134 
1 1 1 4  21 0  o 406.6237 4.900884 1654.943       39.84333      1654.943       39.84333      1654.943       39.84333      406.6237 4.900884 406.6237 4.900884 0.000000       0.000000 
1 1 1 4  21 1  o 264.5493 2.811436 700.3046       14.87749      686.6314       20.74347      714.1194       21.33148      261.9540 3.959373 267.1445 3.992499 -5.190521      5.622871 
1 1 1 4  21 2  o 300.3218 2.937433 902.5676       17.64045      900.4422       24.93042      904.6929       24.97293      299.9681 4.155511 300.6755 4.152804 -0.7073364     5.874866 
1 1 1 4  21 3  o 177.4878 7.845394 0.000000       0.000000      ?              ?             315.8278       27.84924      ?        ?        177.4878 7.845394 ?              ?        
1 1 1 4  21 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  21 5  o 124.8616 3.017574 156.0011       7.537927      157.9139       10.57718      154.1591       10.73304      125.6141 4.210190 124.1090 4.324039 1.505074       6.035148 
1 1 1 4  21 6  o 567.6093 4.427105 3227.707       50.26465      3195.826       70.31384      3259.587       71.83701      564.8120 6.224535 570.4066 6.297000 -5.594604      8.854211 
1 1 1 4  21 7  o 216.9838 2.624726 471.1913       11.39899      457.3056       15.69221      485.1478       16.52818      213.7795 3.670185 220.1880 3.753198 -6.408447      5.249452 
1 1 1 4  21 8  o 110.6456 3.091028 122.9164       6.815306      136.5895       9.734127      109.2433       9.542846      116.8234 4.166173 104.4678 4.567364 12.35561       6.182056 
1 1 1 4  21 9  o 298.6511 2.845668 892.6493       16.99576      886.9816       23.82524      898.3169       24.25031      297.7043 4.001493 299.5978 4.047143 -1.893494      5.691337 
1 1 1 4  21 10 f 368.1546 3.211114 1357.394       23.66229      1408.402       34.48035      1306.385       32.40458      375.0692 4.596531 361.2399 4.485188 13.82928       6.422228 
1 1 1 4  21 11 o 140.2679 2.691965 197.0204       7.552096      189.0858       10.47092      204.9551       10.88890      137.4422 3.809208 143.0937 3.804817 -5.651489      5.383930 
1 1 1 4  21 12 o 357.8887 3.631959 1283.715       26.00018      1274.505       36.42859      1292.925       37.10162      356.6093 5.107634 359.1681 5.164938 -2.558807      7.263919 
1 1 1 4  21 13 o 313.4668 2.909950 984.7480       18.24972      1010.961       26.31190      957.8268       25.29173      317.6943 4.141072 309.2393 4.089346 8.455017       5.819899 
1 1 1 4  21 14 o 143.0067 2.811040 204.8134       8.033843      207.7889       10.60552      201.9088       12.06493      144.0494 3.681210 141.9641 4.249291 2.085373       5.622080 
1 1 1 4  21 15 o 253.1450 3.005874 642.1407       15.22463      631.6556       21.11895      652.6257       21.92658      251.0834 4.205564 255.2065 4.295852 -4.123047      6.011747 
1 1 1 4  21 16 o 135.8331 2.936177 184.9768       7.984251      178.8841       10.93850      190.9986       11.62569      133.6120 4.093379 138.0541 4.210557 -4.442047      5.872355 
1 1 1 4  21 17 o 121.9535 3.021044 149.4833       7.346645      164.9276       10.49926      134.0391       10.27963      128.2824 4.092243 115.6245 4.445265 12.65787       6.042089 
1 1 1 4  21 18 o 176.5082 2.611094 312.2147       9.216957      311.0103       13.58102      313.3482       12.46167      176.1618 3.854701 176.8545 3.523141 -0.6927185     5.222187 
1 1 1 4  21 19 o 54.50047 4.343063 30.03127       4.746627      26.18438       6.237917      33.87108       7.155363      50.99978 6.115632 58.00116 6.168293 -7.001381      8.686126 
1 1 1 4  21 20 o 119.3274 2.670031 143.4615       6.390944      124.4041       8.359732      162.5188       9.670367      111.3686 3.753181 127.2862 3.798671 -15.91757      5.340063 
1 1 1 4  21 21 o 94.22546 3.296257 89.26492       6.235793      86.14774       7.651280      92.38211       9.847479      92.63103 4.129976 95.81990 5.138535 -3.188866      6.592515 
1 1 1 4  21 22 o 94.47233 3.256714 89.76084       6.145111      90.82352       7.778800      88.62732       9.514507      95.10307 4.089669 93.84158 5.069452 1.261490       6.513427 
1 1 1 4  21 23 o 102.7079 3.443884 106.1969       7.073891      105.4176       9.769550      107.0471       10.23713      102.3282 4.773636 103.0877 4.965253 -0.7594910     6.887768 
1 1 1 4  21 24 o 54.99268 5.599160 32.56753       5.492627      19.44700       8.175533      45.68806       7.339560      42.68657 9.780977 67.29878 5.452967 -24.61222      11.19832 
1 1 1 4  21 25 o 153.5100 3.080037 237.2605       9.457831      237.1897       14.95542      237.3313       11.56902      153.3554 4.876065 153.6646 3.764374 -0.3091736     6.160075 
1 1 1 4  21 26 o 16.75188 5.605507 -9.160281      5.148319      -5.139110      6.543969      -13.18429      7.948828      17.34004 8.013082 16.16372 7.840752 1.176315       11.21101 
1 1 1 4  21 27 o 142.9407 2.968977 205.8761       8.458915      217.0696       11.49109      194.6825       12.41916      146.8941 3.911351 138.9873 4.467731 7.906784       5.937953 
1 1 1 4  21 28 o 31.75006 8.167060 8.303054       7.261631      -0.5711539     8.990252      17.18704       11.41316      23.61477 10.25340 39.88535 12.71500 -16.27058      16.33412 
1 1 1 4  21 29 o 24.13220 7.255253 0.8076350      6.147236      -0.8189703     8.742295      2.434240       8.643111      23.07616 10.06580 25.18824 10.45153 -2.112080      14.51051 
1 1 1 4  21 30 o 60.03403 4.962405 37.08037       5.959496      37.29998       8.961915      36.86783       7.856731      60.10032 7.455797 59.96774 6.550798 0.1325798      9.924810 
1 1 1 4  21 31 o 37.59245 6.656568 15.48676       5.064013      16.04643       6.182659      14.93416       8.019674      38.46916 8.273224 36.71573 10.43041 1.753433       13.31314 
1 1 1 4  21 32 o 151.3993 3.017370 232.7973       9.096521      237.2605       10.44966      228.2632       14.89166      153.2791 3.408704 149.5194 4.979841 3.759720       6.034739 
1 1 1 4  21 33 o 69.76625 3.018203 49.79708       4.214580      57.07996       6.307346      42.50711       5.591102      74.91476 4.209682 64.61774 4.326290 10.29702       6.036407 
1 1 1 4  21 34 o 145.1216 2.365282 213.4565       6.899612      221.6037       11.15103      205.2385       8.125941      147.6501 3.776168 142.5930 2.849348 5.057053       4.730563 
1 1 1 4  21 35 o 28.95737 5.385133 9.259464       3.396318      5.345977       5.157529      13.17720       4.419322      23.25316 8.501663 34.66159 6.612138 -11.40843      10.77027 
1 1 1 4  21 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  21 37 o 49.01205 3.476407 26.34732       3.326890      37.04494       5.193660      15.64970       4.160029      59.65985 4.352726 38.36425 5.421752 21.29560       6.952814 
1 1 1 4  21 38 o 47.50000 2.546597 23.40725       2.418654      26.09228       3.564221      20.72222       3.271630      50.25721 3.545980 44.74279 3.656042 5.514416       5.093193 
1 1 1 4  21 39 o 30.19484 5.782005 9.734127       5.375732      5.380691       10.25838      14.08402       3.221330      24.08887 10.67892 36.30082 4.436994 -12.21195      11.56401 
1 1 1 4  21 40 o 45.11851 7.554038 31.51194       6.794761      27.07702       9.897071      35.93976       9.316141      39.84473 11.67488 50.39229 9.589118 -10.54757      15.10808 
1 1 1 4  22 0  o 380.0742 4.654065 1445.950       35.36591      1445.950       35.36591      1445.950       35.36591      380.0742 4.654065 380.0742 4.654065 -0.000000      0.000000 
1 1 1 4  22 1  o 286.1295 2.836704 819.6788       16.23771      816.1365       22.86174      822.5125       23.05302      285.5733 4.002779 286.6856 4.020610 -1.112335      5.673407 
1 1 1 4  22 2  o 115.4185 3.077766 133.4015       7.098687      127.3796       9.982086      139.4233       10.10252      112.8105 4.424273 118.0266 4.279764 -5.216156      6.155532 
1 1 1 4  22 3  o 223.6748 2.847182 500.8754       12.78047      481.6056       16.22355      520.1453       19.74455      219.3840 3.697523 227.9655 4.330600 -8.581558      5.694363 
1 1 1 4  22 4  o 404.3529 3.418700 1637.232       27.65087      1622.355       38.76648      1651.401       39.43243      402.5609 4.814984 406.1449 4.854477 -3.584045      6.837399 
1 1 1 4  22 5  o 358.7965 3.170703 1288.674       22.75547      1272.380       31.76698      1304.968       32.58878      356.5304 4.455017 361.0627 4.512898 -4.532349      6.341405 
1 1 1 4  22 6  o 281.7038 2.807783 794.1744       15.82681      826.0548       22.87591      763.0026       21.86991      287.2943 3.981268 276.1133 3.960314 11.18094       5.615566 
1 1 1 4  22 7  o 276.0317 2.782959 763.0026       15.36632      750.2504       21.42358      775.0463       22.03285      273.7894 3.912421 278.2741 3.958839 -4.484772      5.565918 
1 1 1 4  22 8  o 257.2479 2.710616 662.4024       13.94941      651.2797       19.42575      673.5959       20.02085      255.0828 3.807734 259.4129 3.858876 -4.330154      5.421233 
1 1 1 4  22 9  o 244.6462 2.868028 599.4211       14.01318      615.4321       18.72438      583.3392       20.84265      247.9423 3.775955 241.3502 4.317928 6.592163       5.736056 
1 1 1 4  22 10 o 218.4776 2.806224 478.1341       12.29164      495.7745       18.68896      460.5645       15.96850      222.4822 4.200101 214.4731 3.722730 8.009171       5.612448 
1 1 1 4  22 11 o 259.5526 3.089107 675.2254       16.04643      646.9581       22.01868      703.4926       23.34349      254.1214 4.332315 264.9839 4.404699 -10.86253      6.178214 
1 1 1 4  22 12 o 246.7855 4.311820 610.1895       21.28189      610.1895       21.28189      ?              ?             246.7855 4.311820 ?        ?        ?              ?        
1 1 1 4  22 13 f 33.36665 7.431934 10.95975       5.625107      13.00009       7.537927      8.912323       8.352647      35.42630 10.12769 31.30700 10.87955 4.119297       14.86387 
1 1 1 4  22 14 o 262.0225 3.105496 688.1900       16.27314      700.7297       23.12387      675.6505       22.90425      264.4124 4.372688 259.6325 4.410898 4.779968       6.210992 
1 1 1 4  22 15 o 187.2390 2.524999 351.1795       9.450747      356.4929       13.24096      345.8661       13.49601      188.6608 3.509199 185.8172 3.631528 2.843613       5.049998 
1 1 1 4  22 16 o 78.69616 3.772605 62.19498       5.952412      60.39551       7.552096      63.98737       9.202788      77.58589 4.866926 79.80643 5.765694 -2.220535      7.545210 
1 1 1 4  22 17 o 136.4650 2.601847 186.6062       7.098687      184.4809       9.826226      188.8024       10.25838      135.6797 3.621111 137.2502 3.737110 -1.570496      5.203695 
1 1 1 4  22 18 o 93.80815 3.088184 88.41478       5.795844      82.88886       7.955913      93.94070       8.430575      90.87297 4.377492 96.74334 4.357187 -5.870369      6.176367 
1 1 1 4  22 19 o 217.6388 2.543998 475.0169       11.07310      470.6953       15.47259      479.4094       15.84807      216.6454 3.570948 218.6322 3.624367 -1.986771      5.087996 
1 1 1 4  22 20 o 34.63274 6.508383 12.66003       4.592893      12.60336       6.140860      12.71671       6.831601      34.52855 8.851398 34.73693 9.544053 -0.2083817     13.01677 
1 1 1 4  22 21 o 199.5955 2.683816 399.9211       10.72596      407.0056       15.91891      392.8365       14.36740      201.3317 3.953405 197.8594 3.630711 3.472275       5.367632 
1 1 1 4  22 22 o 145.1118 2.900914 211.6854       8.437660      203.2548       11.03059      220.1868       12.77339      142.2482 3.877235 147.9755 4.316048 -5.727295      5.801829 
1 1 1 4  22 23 o 83.55727 4.040392 70.80976       6.870565      61.81950       7.729208      79.77167       11.36357      78.34112 4.933048 88.77341 6.400321 -10.43230      8.080784 
1 1 1 4  22 24 o 112.1099 3.814380 127.0254       8.480167      131.7012       9.372816      122.3496       14.13361      114.4184 4.095853 109.8014 6.435990 4.616997       7.628760 
1 1 1 4  22 25 o 161.3638 3.435312 262.6230       11.09435      260.7103       12.74505      264.5359       18.16470      161.0071 3.957914 161.7204 5.616082 -0.7133026     6.870623 
1 1 1 4  22 26 o 37.41425 7.797207 14.83498       6.324349      17.72546       8.699788      11.95158       9.181536      40.47629 10.61553 34.35220 11.42349 6.124088       15.59441 
1 1 1 4  22 27 o 160.1753 3.336684 259.4350       10.70471      265.7403       16.23063      253.1298       13.96358      162.0111 5.009110 158.3394 4.409384 3.671692       6.673369 
1 1 1 4  22 28 o 73.96265 4.842070 56.44944       7.155363      65.03587       10.62678      47.86300       9.585353      79.66862 6.669362 68.25667 7.021551 11.41195       9.684139 
1 1 1 4  22 29 o 82.21141 3.596500 68.74816       5.935409      62.46420       7.750463      75.02505       8.990252      78.48298 4.937671 85.93985 5.230550 -7.456871      7.193000 
1 1 1 4  22 30 o 48.00874 5.418358 24.28573       5.064013      24.74622       6.555304      23.82524       7.722124      49.00064 6.688999 47.01683 8.525943 1.983810       10.83672 
1 1 1 4  22 31 o 36.96500 7.179340 15.35215       5.494043      17.24372       8.274716      13.46058       7.226208      39.13346 10.39434 34.79653 9.906029 4.336933       14.35868 
1 1 1 4  22 32 o 63.33466 4.744210 42.07495       6.049470      47.13330       9.365732      37.01661       7.658363      67.04195 6.984980 59.62738 6.421852 7.414562       9.488420 
1 1 1 4  22 33 o 48.22947 5.393132 25.18546       4.926574      28.39475       6.082767      21.97617       7.750463      52.27808 5.817704 44.18087 9.082831 8.097210       10.78626 
1 1 1 4  22 34 o 33.31657 5.619440 12.58919       3.722914      14.91291       5.205703      10.27255       5.324015      36.64397 7.362192 29.98917 8.491793 6.654799       11.23888 
1 1 1 4  22 35 o 17.16443 5.427552 -1.253960      3.841934      -1.577014      5.897153      -0.9309056     4.925865      17.70341 7.959189 16.62545 7.381368 1.077957       10.85510 
1 1 1 4  22 36 o 23.44313 5.962771 5.742710       3.812888      3.166779       5.924782      8.317224       4.800469      20.70698 8.626461 26.17928 8.234242 -5.472303      11.92554 
1 1 1 4  22 37 o 41.87458 3.992989 19.05735       3.372230      21.63612       5.275132      16.48567       4.201828      44.56126 5.918966 39.18790 5.361128 5.373360       7.985978 
1 1 1 4  22 38 f 34.83198 3.998755 13.53143       2.678656      12.21371       4.032507      14.84915       3.527381      32.45385 6.441607 37.21011 4.739817 -4.756256      7.997510 
1 1 1 4  22 39 o 66.92928 2.071726 46.59487       2.779965      53.11263       4.194035      40.07712       3.649235      71.63542 2.927347 62.22313 2.932378 9.412289       4.143453 
1 1 1 4  23 0  o 142.2235 3.924364 202.8297       11.14395      202.8297       11.14395      202.8297       11.14395      142.2235 3.924364 142.2235 3.924364 0.000000       0.000000 
1 1 1 4  23 1  o 134.2670 2.837343 180.5844       7.615856      188.9441       10.91016      172.1538       10.63386      137.3916 3.970460 131.1424 4.054320 6.249222       5.674686 
1 1 1 4  23 2  o 207.3681 2.614496 430.5262       10.84640      444.2701       15.56469      416.7114       15.10419      210.6879 3.693778 204.0483 3.701132 6.639603       5.228993 
1 1 1 4  23 3  o 335.2083 3.056515 1125.021       20.48843      1121.479       28.86232      1128.564       29.09612      334.6816 4.311908 335.7350 4.333196 -1.053436      6.113030 
1 1 1 4  23 4  o 119.2279 2.948496 142.3280       7.030676      141.6904       9.868733      142.9656       10.01751      118.9616 4.147864 119.4942 4.191628 -0.5326004     5.896993 
1 1 1 4  23 5  o 304.1510 2.915289 926.6550       17.73255      925.9465       24.98709      926.6550       25.17129      304.0942 4.108446 304.2078 4.137187 -0.1135559     5.830579 
1 1 1 4  23 6  o 277.0522 2.793034 768.6702       15.47967      755.2096       21.55110      782.1308       22.22413      274.6288 3.923679 279.4758 3.976039 -4.847015      5.586067 
1 1 1 4  23 7  o 153.3522 3.419652 236.4104       10.37882      263.4024       13.97775      209.4892       15.35215      162.1566 4.309954 144.5479 5.310404 17.60880       6.839305 
1 1 1 4  23 8  o 163.0678 3.002928 266.3779       9.790804      266.3779       13.82190      266.3779       13.87857      163.0683 4.238068 163.0672 4.255476 0.1144409E-02  6.005855 
1 1 1 4  23 9  o 81.47301 4.972603 66.71490       8.090520      65.91436       12.75922      67.50837       9.946663      80.93449 7.882435 82.01154 6.064185 -1.077057      9.945206 
1 1 1 4  23 10 o 81.58525 4.090696 67.02662       6.631817      75.02505       9.309056      59.04237       9.450747      86.48493 5.381895 76.68556 6.162012 9.799370       8.181393 
1 1 1 4  23 11 o 385.4318 3.588510 1489.874       27.65087      1484.207       41.64280      1495.542       36.40025      384.6222 5.413468 386.2415 4.712111 -1.619354      7.177021 
1 1 1 4  23 12 o 209.0769 2.808401 437.9649       11.74613      436.1229       15.28839      439.8069       17.83882      208.6669 3.663349 209.4870 4.257739 -0.8200989     5.616802 
1 1 1 4  23 13 o 133.9746 2.746282 179.8759       7.360813      174.8459       10.22296      184.9059       10.59135      132.1020 3.869344 135.8472 3.898260 -3.745239      5.492563 
1 1 1 4  23 14 f 94.39221 3.230326 89.83168       6.049470      102.3713       8.515590      77.22124       8.593520      101.0545 4.213366 87.72994 4.897712 13.32454       6.460653 
1 1 1 4  23 15 o 114.3849 2.869443 131.2053       6.557429      137.1563       9.216957      125.3251       9.330310      116.9725 3.939795 111.7973 4.172868 5.175201       5.738886 
1 1 1 4  23 16 o 152.6470 2.608042 233.5765       7.962997      237.4022       11.04476      229.8218       11.46275      153.8956 3.588395 151.3984 3.785625 2.497223       5.216084 
1 1 1 4  23 17 o 97.31656 3.064663 95.14508       5.970123      90.39845       8.111773      99.89171       8.763549      94.89291 4.274172 99.74020 4.393188 -4.847298      6.129327 
1 1 1 4  23 18 o 28.20629 7.098377 6.050887       5.379983      10.34340       6.935743      1.756252       8.225125      31.82158 9.875434 24.59100 10.19920 7.230577       14.19675 
1 1 1 4  23 19 o 119.3050 3.250070 143.4615       7.700871      158.7640       10.66220      128.1589       11.12269      125.7309 4.240089 112.8792 4.926811 12.85162       6.500140 
1 1 1 4  23 20 o 34.57039 7.199638 12.38374       5.388484      13.81481       6.941411      10.95975       8.246379      36.05909 9.493890 33.08170 10.82614 2.977390       14.39928 
1 1 1 4  23 21 o 53.73730 5.646971 30.10212       5.702329      35.81932       7.275800      24.37783       8.784801      59.51910 6.112155 47.95549 9.497087 11.56361       11.29394 
1 1 1 4  23 22 o 154.0393 2.620098 238.3232       8.076350      234.2850       10.97392      242.3614       11.85240      152.7541 3.592021 155.3244 3.815368 -2.570358      5.240195 
1 1 1 4  23 23 f 33.29889 7.249531 11.60444       5.355187      8.983169       6.926533      14.21863       8.168448      30.03734 9.922008 36.56044 10.57244 -6.523100      14.49906 
1 1 1 4  23 24 o 23.25753 6.662105 2.259961       4.948535      -1.279464      6.261296      5.798677       7.665448      19.30700 8.469245 27.20805 10.28623 -7.901045      13.32421 
1 1 1 4  23 25 o 64.28418 4.943290 42.20956       6.421407      38.35558       7.587519      46.07062       10.36465      61.47408 6.171315 67.09428 7.723945 -5.620193      9.886580 
1 1 1 4  23 26 o 57.80553 9.926516 37.98010       11.59735      29.64162       17.49167      46.31858       15.22463      50.81710 15.66522 64.79397 12.19606 -13.97687      19.85303 
1 1 1 4  23 27 o 26.70921 7.640307 3.367980       6.578683      5.753337       7.608772      0.9826226      10.73304      26.86052 10.22070 26.55791 11.35933 0.3026104      15.28061 
1 1 1 4  23 28 o 117.6777 3.598072 140.9819       8.430575      156.7804       11.97283      125.1834       11.87365      124.3831 4.812888 110.9724 5.349823 13.41070       7.196144 
1 1 1 4  23 29 o 33.14403 7.870984 11.46275       6.272632      7.644195       8.373900      15.27422       9.344479      29.11116 10.80558 37.17690 11.44766 -8.065739      15.74197 
1 1 1 4  23 30 o 84.98437 3.813933 73.89152       6.482334      73.96236       9.592437      73.82067       8.721042      84.93287 5.647070 85.03587 5.127861 -0.1029968     7.627867 
1 1 1 4  23 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  23 32 f 68.94591 3.784309 49.15947       5.225540      44.93710       7.032801      53.38893       7.729208      65.98638 5.328979 71.90543 5.374566 -5.919044      7.568618 
1 1 1 4  23 33 o 82.27580 3.852634 70.62556       6.240752      62.98137       9.564099      78.28393       8.019674      77.34042 6.183118 87.21118 4.597847 -9.870758      7.705268 
1 1 1 4  23 34 o 51.37106 5.597906 28.83399       5.778841      31.17188       8.912323      26.48901       7.360813      53.20733 8.375090 49.53480 7.429943 3.672531       11.19581 
1 1 1 4  23 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  23 36 o 21.81219 5.855144 4.892568       3.573431      4.359104       5.521673      5.426032       4.538342      21.49544 8.564452 22.12896 7.986301 -0.6335201     11.71029 
1 1 1 4  23 37 o 27.65883 5.541399 9.500339       3.229123      11.20771       4.985375      7.792970       4.106895      29.97837 8.116184 25.33929 7.546918 4.639082       11.08280 
1 1 1 4  23 38 o 23.71546 5.313188 7.169532       2.949285      10.32214       4.601394      4.017630       3.690325      28.32039 7.854443 19.11053 7.157346 9.209858       10.62638 
1 1 1 4  24 0  o 79.02962 5.439779 63.42769       8.515590      63.42769       8.515590      63.42769       8.515590      79.02962 5.439779 79.02962 5.439779 0.000000       0.000000 
1 1 1 4  24 1  o 52.30257 5.239335 27.53752       5.469956      29.46451       7.736294      25.60345       7.736294      54.14812 7.143641 50.45703 7.666220 3.691086       10.47867 
1 1 1 4  24 2  o 78.13761 3.883026 61.55029       6.040260      52.77257       8.352647      70.32092       8.728126      72.52803 5.758220 83.74719 5.210996 -11.21916      7.766053 
1 1 1 4  24 3  o 142.1952 3.116235 202.6172       8.862731      201.4837       12.33415      203.6799       12.73088      141.8134 4.348724 142.5771 4.464560 -0.7636719     6.232471 
1 1 1 4  24 4  o 101.5810 3.613368 103.5048       7.339560      108.0389       10.49926      98.97072       10.25838      103.8097 5.056973 99.35231 5.162629 4.457390       7.226736 
1 1 1 4  24 5  o 156.6316 3.025388 245.9036       9.479085      235.3477       13.21971      256.4596       13.58102      153.2659 4.312674 159.9973 4.244140 -6.731491      6.050775 
1 1 1 4  24 6  o 59.12103 5.919255 37.29290       6.430617      22.25956       8.891070      52.32625       9.294888      46.06084 9.934537 72.18121 6.438579 -26.12037      11.83851 
1 1 1 4  24 7  o 56.11068 4.961877 31.65363       5.567723      31.10812       7.835476      32.19913       7.913406      55.62605 7.042992 56.59531 6.991221 -0.9692535     9.923755 
1 1 1 4  24 8  o 133.4763 3.022812 178.5298       8.069265      177.1129       10.62678      179.9467       12.15703      132.9640 3.996111 133.9887 4.536591 -1.024689      6.045623 
1 1 1 4  24 9  o 58.77477 4.736575 34.74956       5.567014      33.21930       7.807138      36.27273       7.934660      57.47853 6.791352 60.07101 6.604400 -2.592484      9.473150 
1 1 1 4  24 10 o 129.8857 2.818209 169.0366       7.318307      173.7832       10.35756      164.3608       10.34340      131.6991 3.932285 128.0722 4.038111 3.626846       5.636417 
1 1 1 4  24 11 o 87.89855 3.688613 77.50462       6.485168      77.64632       8.607689      77.43378       9.698705      87.97781 4.891966 87.81929 5.521967 0.1585236      7.377226 
1 1 1 4  24 12 o 24.23040 6.701738 2.714079       4.937201      6.352687       6.727458      -0.9245296     7.226208      27.17527 9.731804 21.28553 9.216572 5.889738       13.40348 
1 1 1 4  24 13 o 76.64340 3.710618 59.04946       5.690993      55.55679       7.785885      62.54212       8.303054      74.37561 5.234166 78.91120 5.261012 -4.535591      7.421236 
1 1 1 4  24 14 o 156.4193 3.019746 245.4785       9.450747      240.7319       12.68837      250.2960       14.02026      154.9168 4.095221 157.9218 4.438989 -3.004959      6.039491 
1 1 1 4  24 15 o 42.72797 6.848154 19.29114       5.744836      20.84265       7.438744      17.73963       8.756464      44.57915 8.652066 40.87679 10.61747 3.702358       13.69631 
1 1 1 4  24 16 o 51.11369 5.546383 26.50318       5.686742      25.45467       7.289969      27.55877       8.728126      50.14927 7.268270 52.07812 8.379840 -1.928852      11.09277 
1 1 1 4  24 17 o 106.3347 3.440816 113.7065       7.325392      112.3605       9.712874      115.0526       10.95975      105.7375 4.592919 106.9319 5.124641 -1.194405      6.881631 
1 1 1 4  24 18 f 93.79688 3.225562 88.48563       6.045928      91.81535       8.430575      85.15590       8.664365      95.57877 4.410276 92.01498 4.708127 3.563789       6.451124 
1 1 1 4  24 19 o 114.6507 2.946883 132.1263       6.755087      132.7639       9.372816      131.4886       9.734127      114.9399 4.077269 114.3614 4.255862 0.5784760      5.893766 
1 1 1 4  24 20 o 63.39251 4.237912 40.65096       5.381400      38.08637       7.226208      43.21556       7.977167      61.40278 5.884268 65.38224 6.100408 -3.979462      8.475824 
1 1 1 4  24 21 o 34.27811 6.696562 12.31289       4.958454      17.00993       6.900320      7.608772       7.119940      39.94792 8.870093 28.60831 10.03480 11.33961       13.39312 
1 1 1 4  24 22 o 23.36337 6.513014 1.336848       4.978999      -5.489084      6.591435      8.161365       7.467082      17.24296 7.996409 29.48379 10.28275 -12.24083      13.02603 
1 1 1 4  24 23 o 71.01334 4.312156 51.17147       6.118190      52.60963       8.522675      49.74040       8.784801      72.03913 5.915310 69.98755 6.275975 2.051582       8.624311 
1 1 1 4  24 24 f 55.34312 5.314344 31.39150       5.898569      28.51518       7.792970      34.26073       8.855647      52.82766 7.375843 57.85858 7.652839 -5.030922      10.62869 
1 1 1 4  24 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  24 26 o 98.59982 3.610358 98.68733       7.134109      92.02789       9.450747      105.4176       10.69762      95.29201 4.958835 101.9076 5.248686 -6.615616      7.220717 
1 1 1 4  24 27 o 167.7899 2.713475 284.0183       9.110690      273.6749       12.36248      294.4326       13.39682      164.7551 3.751776 170.8247 3.921220 -6.069626      5.426950 
1 1 1 4  24 28 o 120.4476 2.949439 146.7912       7.112856      143.1781       9.443663      150.4752       10.64095      119.0183 3.967315 121.8768 4.365451 -2.858505      5.898877 
1 1 1 4  24 29 o 127.9027 3.146520 166.1319       8.055097      164.5733       9.925409      167.7614       12.68837      127.5219 3.891650 128.2834 4.945445 -0.7615509     6.293041 
1 1 1 4  24 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  24 31 o 83.31947 4.202177 72.19124       6.994544      74.52913       9.705790      69.78250       10.07418      84.80431 5.722462 81.83463 6.155208 2.969681       8.404354 
1 1 1 4  24 32 o 32.05162 7.137876 11.85948       5.206412      15.18212       7.743378      8.536844       6.964081      35.90428 10.26492 28.19896 9.921115 7.705320       14.27575 
1 1 1 4  24 33 o 17.86785 5.862241 -4.855729      5.084558      -3.278006      7.240376      -6.433450      7.134109      18.75157 8.568395 16.98412 8.002881 1.767447       11.72448 
1 1 1 4  24 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  24 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  24 36 f 63.71077 3.588341 43.77523       4.589351      47.91259       6.955580      39.63787       5.988543      66.59611 5.222212 60.82544 4.922729 5.770668       7.176681 
1 1 1 4  24 37 o 24.68692 5.424730 7.084518       3.452994      1.942575       5.071097      12.22788       4.686408      18.10206 7.777440 31.27179 7.564537 -13.16973      10.84946 
1 1 1 4  24 38 o 14.96111 4.791252 -1.270254      3.237624      -4.696327      4.629024      2.156527       4.527715      12.69253 6.119584 17.22969 7.373945 -4.537163      9.582503 
1 1 1 4  25 0  o 101.2410 6.349358 103.9299       12.75213      103.9299       12.75213      103.9299       12.75213      101.2410 6.349358 101.2410 6.349358 0.000000       0.000000 
1 1 1 4  25 1  o 81.77280 4.966411 67.23916       8.118857      67.67132       11.30689      66.80700       11.66112      82.04403 6.890746 81.50158 7.153921 0.5424500      9.932822 
1 1 1 4  25 2  o 156.1671 3.420911 244.8410       10.74721      228.4757       13.29056      261.1353       16.90366      150.9884 4.401185 161.3459 5.238329 -10.35757      6.841821 
1 1 1 4  25 3  o 116.2217 3.273695 135.5268       7.573349      144.7367       10.23713      126.3878       11.16520      120.1810 4.259045 112.2625 4.972811 7.918549       6.547390 
1 1 1 4  25 4  o 123.6361 2.913390 153.1673       7.204955      154.4425       10.16628      151.8921       10.20879      124.1524 4.094277 123.1199 4.145873 1.032463       5.826780 
1 1 1 4  25 5  o 156.4929 2.713951 245.3369       8.494337      245.4077       11.86657      245.2660       12.15703      156.5189 3.790778 156.4669 3.884859 0.5201721E-01  5.427903 
1 1 1 4  25 6  o 58.52228 4.854930 35.21714       5.574099      24.89499       7.488335      45.53928       8.253463      49.71934 7.530606 67.32522 6.129548 -17.60588      9.709860 
1 1 1 4  25 7  o 112.7834 3.062441 127.5213       6.908822      124.9709       9.620775      130.0717       9.918325      111.6568 4.308189 113.9099 4.353584 -2.253036      6.124883 
1 1 1 4  25 8  o 280.4949 3.319847 789.2153       18.63228      808.3435       26.99201      770.0871       25.68846      283.8842 4.754055 277.1057 4.635137 6.778412       6.639693 
1 1 1 4  25 9  o 108.5253 3.111906 118.0989       6.759338      114.0607       9.273635      122.2079       9.833311      106.6572 4.347401 110.3934 4.453757 -3.736229      6.223812 
1 1 1 4  25 10 o 32.33497 7.412849 10.22296       5.604562      13.95650       8.416408      6.490126       7.403321      36.71051 10.76929 27.95943 10.18939 8.751083       14.82570 
1 1 1 4  25 11 o 81.10155 4.308947 66.19065       6.988169      66.40318       9.422408      65.97811       10.32214      81.25589 5.797985 80.94720 6.375849 0.3086929      8.617893 
1 1 1 4  25 12 o 162.0838 3.130911 263.7566       10.13795      271.1953       13.99901      256.3178       14.67204      164.3929 4.257790 159.7748 4.591475 4.618134       6.261822 
1 1 1 4  25 13 o 130.8219 3.274838 172.0121       8.579351      163.0856       11.51943      181.0094       12.72379      127.4265 4.520028 134.2172 4.740001 -6.790710      6.549676 
1 1 1 4  25 14 o 70.23181 4.457846 49.81124       6.222332      52.55295       7.970083      47.06953       9.557014      72.24072 5.516336 68.22291 7.004256 4.017815       8.915692 
1 1 1 4  25 15 o 24.05149 6.845542 2.802635       5.066847      3.168196       6.747295      2.437074       7.559181      23.84964 9.478385 24.25335 9.879576 -0.4037170     13.69108 
1 1 1 4  25 16 o 47.66093 5.527589 23.49226       5.099436      26.30482       7.031384      20.67971       7.389152      50.98303 6.895809 44.33884 8.640880 6.644184       11.05518 
1 1 1 4  25 17 o 52.62938 4.976038 28.11845       5.224123      29.83290       7.282885      26.41108       7.495420      54.26566 6.710400 50.99311 7.349444 3.272545       9.952075 
1 1 1 4  25 18 o 21.88647 6.503473 0.2909611      4.944285      2.991792       6.692744      -2.409445      7.275800      23.55149 9.414072 20.22146 8.975292 3.330029       13.00695 
1 1 1 4  25 19 o 72.46000 3.922899 53.06304       5.688868      49.57745       7.743378      56.54862       8.338477      70.08041 5.524638 74.83958 5.570901 -4.759171      7.845798 
1 1 1 4  25 20 o 104.7066 3.209991 110.5185       6.711873      114.8400       9.273635      106.1261       9.705790      106.8046 4.341401 102.6085 4.729524 4.196098       6.419981 
1 1 1 4  25 21 o 94.08006 3.424223 89.26492       6.433450      92.31127       8.862731      86.21858       9.330310      95.71893 4.629560 92.44118 5.046620 3.277748       6.848445 
1 1 1 4  25 22 o 87.57423 3.942227 77.71716       6.919449      82.81801       10.31506      72.61631       9.224042      90.42657 5.703555 84.72189 5.443718 5.704681       7.884453 
1 1 1 4  25 23 o 23.39526 7.177778 -0.7247462     6.229416      0.1474997      8.713958      -1.597559      8.905238      23.82024 10.21334 22.97029 10.08809 0.8499527      14.35556 
1 1 1 4  25 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  25 25 o 44.40708 7.060647 21.86991       6.208163      15.52926       8.012589      28.21763       9.486169      37.69490 10.32703 51.11926 9.631370 -13.42436      14.12129 
1 1 1 4  25 26 o 89.64268 3.796243 82.10956       6.782717      71.12856       9.344479      93.09056       9.833311      83.55706 5.591675 95.72832 5.136051 -12.17126      7.592487 
1 1 1 4  25 27 o 110.3722 3.166175 123.5540       6.974707      128.1589       9.549930      118.9491       10.17337      112.5066 4.244165 108.2378 4.699544 4.268791       6.332350 
1 1 1 4  25 28 o 61.64788 4.653795 39.43951       5.753337      35.44384       7.615856      43.43518       8.621859      58.54115 6.504704 64.75461 6.657332 -6.213463      9.307590 
1 1 1 4  25 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  25 30 o 134.2938 2.841949 183.6307       7.622942      191.6362       10.57010      175.6960       10.98100      137.3070 3.849075 131.2806 4.182263 6.026413       5.683898 
1 1 1 4  25 31 o 24.85601 6.294480 2.094184       5.122107      -10.59844      6.461080      14.78539       7.948828      14.27932 6.962343 35.43269 10.48845 -21.15337      12.58896 
1 1 1 4  25 32 o 21.88355 6.738425 -0.4959163E-01 5.732792      2.634732       6.867732      -2.733916      9.181536      22.28184 9.285388 21.48526 9.767653 0.7965755      13.47685 
1 1 1 4  25 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  25 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  25 35 o 20.06693 5.862141 3.127106       3.836267      2.272713       4.959163      3.981499       5.854646      18.82867 7.871163 21.30518 8.689280 -2.476509      11.72428 
1 1 1 4  25 36 o 17.12985 5.400652 -3.195117      4.303136      -10.48509      6.558846      4.092017       5.571973      13.65468 6.724893 20.60502 8.452456 -6.950342      10.80130 
1 1 1 4  25 37 o 18.23890 5.741452 -1.332598      5.362272      -6.105437      9.840395      3.439533       4.257087      18.01487 8.734086 18.46293 7.454719 -0.4480629     11.48290 
1 1 1 4  26 0  o 31.06990 12.28010 13.40391       7.311223      13.40391       7.311223      13.40391       7.311223      31.06990 12.28010 31.06990 12.28010 -0.000000      0.000000 
1 1 1 4  26 1  o 53.91913 5.218199 29.46451       5.577641      34.02694       7.913406      24.89499       7.863815      58.15201 6.804070 49.68626 7.913471 8.465752       10.43640 
1 1 1 4  26 2  o 165.4085 3.096996 274.3125       10.24421      275.6586       14.36032      272.9665       14.61536      165.8192 4.330113 164.9978 4.428955 0.8213501      6.193991 
1 1 1 4  26 3  o 150.0615 3.162122 225.7836       9.493254      222.0997       13.24805      229.5384       13.59519      148.8276 4.450804 151.2955 4.492927 -2.467896      6.324243 
1 1 1 4  26 4  o 118.4934 3.408017 140.9111       8.083434      134.1808       11.05893      147.7122       11.78864      115.6508 4.781172 121.3359 4.857852 -5.685081      6.816035 
1 1 1 4  26 5  o 80.21915 4.276220 64.75249       6.859938      60.80642       9.507423      68.69857       9.889987      77.76797 6.112685 82.67033 5.981582 -4.902351      8.552441 
1 1 1 4  26 6  o 105.8184 3.488250 112.4313       7.374983      114.1316       9.691620      110.6602       11.11561      106.6651 4.543014 104.9716 5.294579 1.693512       6.976499 
1 1 1 4  26 7  o 93.38011 3.941293 87.70633       7.346645      92.59465       10.20879      82.81801       10.56302      96.00555 5.316771 90.75466 5.819544 5.250893       7.882585 
1 1 1 4  26 8  f 24.27175 7.429960 -3.244001      7.036344      -9.642029      10.69054      3.151194       9.153197      21.68097 10.10415 26.86253 10.89603 -5.181559      14.85992 
1 1 1 4  26 9  o 109.0583 3.709547 119.5867       8.097604      116.9654       10.74013      122.2079       12.12869      107.8918 4.977266 110.2249 5.501796 -2.333015      7.419093 
1 1 1 4  26 10 o 108.3844 5.830535 118.3115       12.63878      118.3115       12.63878      ?              ?             108.3844 5.830535 ?        ?        ?              ?        
1 1 1 4  26 11 o 161.2331 2.973787 261.0645       9.571183      252.4214       14.14070      269.7076       12.90091      158.5236 4.460125 163.9427 3.934579 -5.419083      5.947573 
1 1 1 4  26 12 o 61.67099 4.702856 38.44768       5.803638      36.64112       7.984251      40.25423       8.423491      60.22339 6.628862 63.11858 6.672750 -2.895191      9.405712 
1 1 1 4  26 13 o 116.0002 3.261698 135.2434       7.566265      133.6140       11.11561      136.8729       10.25838      115.2745 4.821366 116.7260 4.394217 -1.451469      6.523397 
1 1 1 4  26 14 o 78.97240 3.845472 62.92469       6.065056      67.45170       8.621859      58.39060       8.529759      81.83763 5.267661 76.10718 5.603781 5.730453       7.690944 
1 1 1 4  26 15 o 76.24773 3.934226 58.75191       5.999878      54.01236       8.232210      63.49854       8.728126      73.15746 5.626364 79.33801 5.500595 -6.180557      7.868451 
1 1 1 4  26 16 o 34.50082 7.137978 12.53960       5.257421      10.73304       7.054762      14.35323       7.800055      32.24555 9.950296 36.75610 10.23692 -4.510551      14.27596 
1 1 1 4  26 17 o 182.0339 2.675105 332.8307       9.741212      340.7653       13.70854      324.8960       13.82898      184.2168 3.720764 179.8511 3.844564 4.365707       5.350211 
1 1 1 4  26 18 o 62.46407 4.549212 39.75123       5.686034      34.75665       7.622942      44.74582       8.437660      58.51288 6.513900 66.41526 6.352201 -7.902378      9.098425 
1 1 1 4  26 19 o 93.01290 3.470339 87.56464       6.457538      77.07955       8.699788      97.97889       9.542846      87.43047 4.975261 98.59534 4.839400 -11.16487      6.940678 
1 1 1 4  26 20 o 23.17768 6.849499 1.130689       5.366522      3.133482       7.424574      -0.8728126     7.750463      24.49409 9.863474 21.86127 9.506546 2.632818       13.69900 
1 1 1 4  26 21 o 108.6985 3.374059 119.2324       7.325392      122.5622       10.20879      115.9027       10.52051      110.2447 4.630058 107.1523 4.909139 3.092453       6.748117 
1 1 1 4  26 22 o 86.29906 4.622451 76.08772       7.984251      72.19124       10.86057      79.91336       11.71071      84.12871 6.454732 88.46941 6.618507 -4.340698      9.244903 
1 1 1 4  26 23 o 113.0682 3.863109 130.1426       8.749379      121.3578       11.77447      138.9982       12.94341      109.2591 5.388323 116.8772 5.537184 -7.618103      7.726218 
1 1 1 4  26 24 o 30.99282 6.718717 5.776008       6.259880      -11.63986      7.665448      23.19471       9.897071      16.15940 7.809324 45.82625 10.93522 -29.66685      13.43743 
1 1 1 4  26 25 f 66.74350 4.496339 45.84391       6.015463      40.33924       7.934660      51.34150       9.046929      62.73307 6.324144 70.75392 6.393235 -8.020851      8.992678 
1 1 1 4  26 26 o 124.6023 3.249778 157.6305       8.097604      155.2218       11.60444      159.9684       11.29272      123.6245 4.693422 125.5801 4.496222 -1.955574      6.499556 
1 1 1 4  26 27 o 131.9263 2.937301 176.6170       7.757547      172.3663       10.37882      180.8677       11.53359      130.4168 3.979095 133.4358 4.321777 -3.018982      5.874602 
1 1 1 4  26 28 o 43.48566 6.663385 21.21813       5.642110      22.59961       7.502505      19.83665       8.430575      45.29668 8.592799 41.67464 10.18659 3.622040       13.32677 
1 1 1 4  26 29 o 89.99921 3.502863 83.24309       6.315848      80.48012       8.324308      86.07689       9.500339      88.60954 4.697185 91.38888 5.197754 -2.779335      7.005726 
1 1 1 4  26 30 o 35.58678 5.903214 13.12761       5.294969      26.78656       7.233293      -0.5296386     7.736294      50.03394 7.228387 21.13962 9.334996 28.89431       11.80643 
1 1 1 4  26 31 o 57.66943 5.612528 38.81607       5.895027      19.84373       7.630026      57.78841       8.990252      41.27941 9.442542 74.05944 6.069620 -32.78003      11.22506 
1 1 1 4  26 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  26 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  26 34 f 55.28304 4.627469 34.19697       5.149736      31.46943       6.210288      36.91742       8.218040      53.70992 5.781323 56.85617 7.227045 -3.146248      9.254938 
1 1 1 4  26 35 o 16.74180 5.554379 -3.119313      4.695619      -5.054803      6.153612      -1.183823      7.091603      15.20174 7.262132 18.28185 8.406303 -3.080112      11.10876 
1 1 1 4  26 36 o 19.72925 5.921072 3.390650       4.135942      5.710121       6.040260      1.071888       5.651320      21.77489 8.844306 17.68361 7.874936 4.091282       11.84214 
1 1 1 4  27 0  o 168.4592 3.799745 284.5851       12.78755      284.5851       12.78755      284.5851       12.78755      168.4592 3.799745 168.4592 3.799745 -0.000000      0.000000 
1 1 1 4  27 1  o 80.38615 3.746303 64.96503       6.018298      67.35252       8.395153      62.58463       8.621859      81.87438 5.126850 78.89793 5.463932 2.976448       7.492606 
1 1 1 4  27 2  o 137.9496 3.588768 191.3528       10.01042      179.7342       10.85348      203.0423       16.82573      133.8631 4.053948 142.0360 5.923050 -8.172913      7.177536 
1 1 1 4  27 3  o 155.1242 3.213837 241.7237       9.982086      229.6801       13.38265      253.7674       14.82790      151.2732 4.423339 158.9752 4.663589 -7.701950      6.427674 
1 1 1 4  27 4  o 163.0879 3.162439 267.0155       10.31506      266.3779       14.19737      267.6531       14.96959      162.9093 4.357447 163.2666 4.584401 -0.3572388     6.324877 
1 1 1 4  27 5  o 109.8168 3.695150 121.2869       8.111773      124.4750       11.24313      118.0989       11.68946      111.2802 5.051722 108.3535 5.394130 2.926712       7.390300 
1 1 1 4  27 6  o 179.9893 3.459020 326.1003       12.39791      300.5252       17.97342      351.6755       17.08077      172.8616 5.198789 187.1170 4.564196 -14.25534      6.918041 
1 1 1 4  27 7  o 140.1827 3.678668 197.6581       10.30089      199.6417       13.09927      195.7452       15.90474      140.9580 4.646517 139.4075 5.704408 1.550507       7.357336 
1 1 1 4  27 8  o 63.73965 5.261265 41.15396       6.709747      39.67330       9.245295      42.64171       9.727042      62.59596 7.384899 64.88335 7.495794 -2.287384      10.52253 
1 1 1 4  27 9  o 159.4881 3.185163 255.6094       10.15920      255.1135       14.18321      256.0345       14.55160      159.3535 4.450234 159.6228 4.558121 -0.2693024     6.370326 
1 1 1 4  27 10 o 62.55491 5.225474 40.05586       6.467456      48.25265       9.386987      31.85199       8.898154      69.08830 6.793469 56.02151 7.941730 13.06679       10.45095 
1 1 1 4  27 11 o 78.01537 4.090066 61.38734       6.388110      59.48161       8.650196      63.28600       9.401155      76.82317 5.629940 79.20757 5.934506 -2.384392      8.180133 
1 1 1 4  27 12 f 142.0299 2.900236 202.6881       8.239295      197.8706       11.54068      207.5055       11.76030      140.3402 4.111680 143.7197 4.091402 -3.379471      5.800472 
1 1 1 4  27 13 o 83.85965 3.723632 70.91602       6.235793      73.74983       8.565183      68.11056       9.061099      85.56015 5.005357 82.15914 5.514358 3.401009       7.447264 
1 1 1 4  27 14 f 96.61810 3.455696 94.01155       6.677158      93.44479       9.372816      94.57832       9.514507      96.32993 4.864955 96.90627 4.909129 -0.5763397     6.911392 
1 1 1 4  27 15 o 202.2059 2.738243 410.7603       11.07310      410.9729       15.56469      410.4769       15.75597      202.2728 3.847450 202.1389 3.897311 0.1338196      5.476487 
1 1 1 4  27 16 o 58.04404 5.096560 34.43076       5.871648      38.60354       8.154280      30.26506       8.444746      61.65395 6.612942 54.43412 7.756849 7.219833       10.19312 
1 1 1 4  27 17 o 39.98354 6.993791 17.19412       5.585434      14.60119       7.715039      19.78706       8.083434      36.96833 10.13590 42.99874 9.639293 -6.030407      13.98758 
1 1 1 4  27 18 f 66.82920 4.652745 45.74473       6.121732      53.96277       8.501422      37.52669       8.806056      72.99625 5.823190 60.66215 7.258278 12.33410       9.305490 
1 1 1 4  27 19 o 97.11586 4.077432 95.85353       7.792970      107.1179       9.960832      84.58914       11.97992      103.0271 4.834085 91.20466 6.567603 11.82240       8.154863 
1 1 1 4  27 20 o 22.03600 6.984697 -3.482041      6.388818      -2.851519      8.777717      -4.112563      9.280719      22.03842 9.814305 22.03359 9.940996 0.4831314E-02  13.96939 
1 1 1 4  27 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  27 22 o 25.06590 7.541972 1.018045       6.638193      -0.5829141     8.990252      2.619146       9.769550      23.54631 10.23899 26.58549 11.07648 -3.039177      15.08394 
1 1 1 4  27 23 o 76.90344 4.470801 60.97644       6.758630      71.97870       9.330310      49.94585       9.776634      84.10548 5.546791 69.70140 7.013227 14.40408       8.941602 
1 1 1 4  27 24 o 70.81181 4.951954 52.36876       7.069641      41.20356       8.756464      63.52687       11.10144      63.20079 6.927495 78.42284 7.077938 -15.22204      9.903909 
1 1 1 4  27 25 o 111.6382 3.266798 126.6003       7.289969      129.1508       10.03876      124.0499       10.57010      112.8256 4.448797 110.4508 4.784984 2.374817       6.533595 
1 1 1 4  27 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  27 27 o 38.79810 7.074426 17.11619       5.537968      15.91891       7.311223      18.31348       8.317224      37.54628 9.677673 40.04992 10.32146 -2.503635      14.14885 
1 1 1 4  27 28 o 52.05012 5.228237 28.84107       5.454370      26.86449       7.261631      30.81057       8.140111      50.34225 7.212263 53.75799 7.571071 -3.415733      10.45647 
1 1 1 4  27 29 o 81.47281 3.755856 69.14489       6.136609      63.80317       8.076350      74.45828       9.245295      78.42257 5.149251 84.52304 5.469098 -6.100471      7.511712 
1 1 1 4  27 30 o 54.05813 5.611665 32.77298       5.841893      23.40725       7.658363      42.13871       8.820225      45.39109 8.748158 62.72516 7.030851 -17.33406      11.22333 
1 1 1 4  27 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  27 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  27 33 f 23.12436 6.378861 5.212080       4.488042      0.6261297      5.804345      9.797889       6.845770      18.49313 8.132999 27.75560 9.829231 -9.262478      12.75772 
1 1 1 4  27 34 o 21.97385 6.304574 4.530550       4.512129      7.020049       5.825599      2.041758       6.892527      23.84798 8.980590 20.09973 8.850966 3.748251       12.60915 
1 1 1 4  27 35 o 16.79768 5.482565 -1.034340      4.294635      -2.295384      5.760421      0.2274130      6.370398      15.71957 7.358665 17.87579 8.129214 -2.156219      10.96513 
1 1 1 4  28 0  o 12.28851 8.903118 -17.95925      10.67637      -17.95925      10.67637      -17.95925      10.67637      12.28851 8.903118 12.28851 8.903118 0.000000       0.000000 
1 1 1 4  28 1  o 92.73157 5.017579 87.06872       9.316141      92.09874       13.65187      82.03871       12.67420      95.40347 7.154806 90.05966 7.036559 5.343811       10.03516 
1 1 1 4  28 2  o 40.51241 8.519057 17.36415       7.467082      20.67971       11.57610      14.04860       9.450747      44.07035 12.53530 36.95446 11.53966 7.115887       17.03811 
1 1 1 4  28 3  o 70.72137 4.304377 51.11480       5.983583      62.83258       8.586436      39.40409       8.338477      78.99467 5.434820 62.44807 6.676329 16.54660       8.608754 
1 1 1 4  28 4  o 68.79992 4.396467 47.94802       6.029633      42.03244       8.345562      53.85650       8.706873      64.51652 6.467772 73.08332 5.956812 -8.566803      8.792933 
1 1 1 4  28 5  o 23.91524 6.947556 1.647859       5.421073      4.196160       7.495420      -0.9004422     7.835476      25.70567 10.05624 22.12481 9.588854 3.580856       13.89511 
1 1 1 4  28 6  o 70.57680 4.276015 51.17147       5.948870      37.42042       7.970083      64.92960       8.834394      60.86295 6.547565 80.29064 5.501509 -19.42769      8.552030 
1 1 1 4  28 7  o 27.03851 7.476870 4.095560       6.046636      1.524588       9.443663      6.667239       7.552096      25.92997 10.85227 28.14706 10.28798 -2.217089      14.95374 
1 1 1 4  28 8  o 83.07421 3.840040 69.67623       6.371816      75.66265       9.139028      63.68273       8.876901      86.67011 5.272306 79.47831 5.584480 7.191803       7.680080 
1 1 1 4  28 9  o 121.9211 3.283956 149.5542       8.005506      148.5623       11.96575      150.5460       10.63386      121.4707 4.925364 122.3714 4.344913 -0.9006577     6.567913 
1 1 1 4  28 10 o 172.5786 2.987353 299.3917       10.31506      303.5716       15.38049      295.2827       13.75813      173.7285 4.426587 171.4287 4.012786 2.299820       5.974707 
1 1 1 4  28 11 o 24.25338 7.304743 -1.337557      6.559555      -6.678575      9.967916      4.003461       8.529759      21.85937 10.01559 26.64739 10.63603 -4.788021      14.60949 
1 1 1 4  28 12 o 45.03770 7.010611 21.45900       6.315140      15.65678       8.990252      27.26831       8.869816      38.41322 11.08612 51.66217 8.584439 -13.24895      14.02122 
1 1 1 4  28 13 o 119.2890 3.498140 143.4615       8.331393      149.9792       11.62569      137.0146       11.94450      122.0188 4.763895 116.5592 5.123792 5.459633       6.996280 
1 1 1 4  28 14 f 159.6560 3.231382 256.8138       10.31506      257.0971       14.39574      256.5304       14.78539      159.7608 4.505405 159.5513 4.633428 0.2094727      6.462765 
1 1 1 4  28 15 o 82.23903 4.326478 70.08005       6.833726      91.24860       9.549930      48.91151       9.776634      95.12040 5.019917 69.35766 7.047985 25.76274       8.652957 
1 1 1 4  28 16 o 59.54966 5.255311 36.61279       6.210997      28.79148       8.359732      44.43409       9.188620      53.04018 7.880565 66.05914 6.954844 -13.01896      10.51062 
1 1 1 4  28 17 o 111.4144 3.498545 125.3251       7.792970      125.3251       10.85348      125.3251       11.19354      111.4309 4.870052 111.3978 5.024128 0.3304291E-01  6.997090 
1 1 1 4  28 18 o 114.9061 3.617032 133.6140       8.288886      142.8239       11.60444      124.4041       11.84531      118.9263 4.878837 110.8858 5.341221 8.040489       7.234065 
1 1 1 4  28 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  28 20 o 24.09575 7.434432 -4.313763      7.297054      -14.28239      9.982086      5.656280       10.64803      18.61304 8.977135 29.57846 11.85302 -10.96542      14.86886 
1 1 1 4  28 21 o 30.27813 7.688261 7.297054       6.410071      13.97775       8.976085      0.6129524      9.153197      36.04082 11.24449 24.51543 10.48803 11.52539       15.37652 
1 1 1 4  28 22 o 128.8425 3.236207 168.1864       8.345562      165.8486       11.44858      170.4535       12.13578      127.9974 4.472194 129.6877 4.678847 -1.690331      6.472414 
1 1 1 4  28 23 o 97.55519 3.675483 96.91621       7.169532      96.77451       9.854564      97.12873       10.42133      97.51542 5.052824 97.59496 5.339070 -0.7953644E-01 7.350965 
1 1 1 4  28 24 o 36.64500 7.964273 14.54451       6.679992      18.68187       8.657280      10.40716       10.17337      40.73106 10.54668 32.55893 11.93676 8.172131       15.92855 
1 1 1 4  28 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  28 26 f 56.41395 5.836206 35.56428       6.378900      22.08953       7.750463      49.03195       10.13795      44.61623 9.001215 68.21167 7.431240 -23.59544      11.67241 
1 1 1 4  28 27 f 25.51537 7.028801 4.845810       5.406196      0.1060552      7.155363      9.585353       8.104689      20.98364 9.129744 30.04711 10.68943 -9.063469      14.05760 
1 1 1 4  28 28 o 56.74855 5.160054 34.79915       5.826308      36.44276       7.722124      33.15554       8.728126      58.47213 6.603252 55.02497 7.931060 3.447163       10.32011 
1 1 1 4  28 29 o 23.19895 6.968191 2.360561       5.647778      1.574180       7.452912      3.147651       8.487252      22.09469 9.458531 24.30321 10.23518 -2.208525      13.93638 
1 1 1 4  28 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  28 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  28 32 f 23.53515 6.712574 4.339975       5.287176      -2.093475      7.226208      10.77555       7.722124      18.42481 8.477781 28.64550 10.40970 -10.22069      13.42515 
1 1 1 4  28 33 f 20.61485 6.356306 2.515712       5.006629      3.858937       6.563805      1.173196       7.559181      21.16036 8.960553 20.06933 9.017705 1.091028       12.71261 
1 1 1 4  28 34 o 22.77606 6.207457 5.746961       4.456161      12.07910       6.570890      -0.5881566     6.021132      28.52802 9.663941 17.02411 7.793478 11.50391       12.41491 
1 1 1 4  29 0  o 20.84371 11.91675 5.882984       7.707955      5.882984       7.707955      5.882984       7.707955      20.84371 11.91675 20.84371 11.91675 0.000000       0.000000 
1 1 1 4  29 1  o 30.32076 7.409197 7.637110       5.840477      2.476748       8.664365      12.80172       7.835476      25.63574 10.53217 35.00579 10.42393 -9.370047      14.81839 
1 1 1 4  29 2  o 79.95184 4.222774 64.61080       6.765715      60.74974       9.004422      68.47187       10.10252      77.58249 5.803128 82.32121 6.136039 -4.738716      8.445547 
1 1 1 4  29 3  o 113.6043 3.666918 130.1426       8.338477      136.0936       12.20662      124.1208       11.36357      116.2083 5.252046 111.0004 5.118707 5.207916       7.333835 
1 1 1 4  29 4  o 70.77066 5.245905 51.22106       7.325392      42.69839       10.52051      59.75082       10.19462      64.72960 8.126506 76.81171 6.636111 -12.08212      10.49181 
1 1 1 4  29 5  o 34.66443 7.990771 12.17829       6.377483      13.78647       9.528677      10.56302       8.480167      36.57066 11.61386 32.75820 10.97852 3.812454       15.98154 
1 1 1 4  29 6  o 100.7046 4.035714 102.5130       8.104689      96.77451       11.80989      108.1806       11.10144      97.84288 6.035131 103.5662 5.359584 -5.723366      8.071427 
1 1 1 4  29 7  o 63.72653 4.977971 41.21064       6.346311      41.40192       9.046929      41.01936       8.898154      63.86880 7.082432 63.58425 6.997137 0.2845535      9.955941 
1 1 1 4  29 8  o 83.73322 3.935943 70.80267       6.582225      66.46694       9.294888      75.16674       9.323226      81.13691 5.727903 86.32953 5.399789 -5.192619      7.871887 
1 1 1 4  29 9  o 142.1533 3.212162 203.6090       9.174451      189.3692       11.69654      217.7781       14.14070      137.2400 4.261346 147.0665 4.807585 -9.826584      6.424324 
1 1 1 4  29 10 o 73.17569 4.378289 54.21782       6.408655      54.17531       8.940661      54.26740       9.181536      73.15648 6.110642 73.19491 6.271977 -0.3842926E-01 8.756577 
1 1 1 4  29 11 f 91.49631 3.770903 84.80168       6.887568      75.30843       9.479085      94.36578       9.996255      86.31390 5.491054 96.67871 5.169833 -10.36481      7.541806 
1 1 1 4  29 12 o 143.6508 3.049421 207.8598       8.763549      195.3201       12.09327      220.3994       12.68129      139.3080 4.340482 147.9937 4.284400 -8.685760      6.098842 
1 1 1 4  29 13 o 30.22779 7.365544 7.927575       5.765380      2.094892       7.962997      13.76522       8.338477      24.36857 10.06672 36.08702 10.75482 -11.71845      14.73109 
1 1 1 4  29 14 o 102.7800 3.844974 106.9054       7.913406      108.5348       11.68946      105.2051       10.65512      103.5348 5.645181 102.0253 5.221802 1.509544       7.689947 
1 1 1 4  29 15 o 57.91815 6.273583 34.58662       7.268716      33.72230       10.21588      35.44384       10.33631      57.18551 8.932223 58.65079 8.811740 -1.465282      12.54717 
1 1 1 4  29 16 o 103.2943 4.495313 108.8890       9.224042      122.0662       12.95050      95.71184       13.14178      109.6854 5.903472 96.90317 6.780883 12.78226       8.990626 
1 1 1 4  29 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  29 18 o 28.29820 8.548095 1.456577       8.586436      -0.1137065     12.06493      3.026506       12.22079      27.32067 11.87050 29.27573 12.30329 -1.955063      17.09619 
1 1 1 4  29 19 o 117.8067 3.844456 141.2653       8.990252      153.5923       12.07202      128.9382       13.32598      123.1305 4.902125 112.4829 5.923557 10.64756       7.688911 
1 1 1 4  29 20 o 82.73075 4.267191 69.93836       7.063264      68.43644       9.748297      71.41194       10.22296      81.87389 5.953238 83.58761 6.115117 -1.713715      8.534383 
1 1 1 4  29 21 o 121.6999 3.372971 150.4043       8.203872      157.7014       11.54776      143.1781       11.64695      124.6912 4.630546 118.7086 4.905688 5.982582       6.745942 
1 1 1 4  29 22 o 79.45418 4.180244 64.83042       6.641736      60.38135       9.160281      69.27242       9.620775      76.70664 5.970984 82.20171 5.851932 -5.495064      8.360488 
1 1 1 4  29 23 o 76.48439 4.610036 60.74265       7.057597      57.46252       9.613690      64.02278       10.33631      74.44424 6.456975 78.52454 6.581581 -4.080299      9.220072 
1 1 1 4  29 24 o 26.42674 7.553852 4.682866       6.204620      3.032882       8.742295      6.332142       8.806056      25.11230 10.47130 27.74118 10.89011 -2.628878      15.10770 
1 1 1 4  29 25 o 18.53411 6.107903 -5.909196      5.568431      -6.731709      7.530843      -5.086684      8.203872      17.64999 8.289345 19.41822 8.972884 -1.768232      12.21581 
1 1 1 4  29 26 o 85.32726 3.929173 75.52096       6.706204      74.81251       9.146112      76.22942       9.812057      85.02366 5.378570 85.63087 5.729276 -0.6072083     7.858347 
1 1 1 4  29 27 o 19.73430 6.327164 -4.660196      5.691702      -12.70254      7.481250      3.378607       8.579351      15.03612 7.365121 24.43249 10.29014 -9.396368      12.65433 
1 1 1 4  29 28 o 54.77074 7.045816 36.01060       7.552096      35.39425       10.03168      36.62696       11.28564      55.26862 9.075383 54.27287 10.78015 0.9957466      14.09163 
1 1 1 4  29 29 o 22.21437 10.20297 2.252168       10.41424      2.252168       10.41424      ?              ?             22.21437 10.20297 ?        ?        ?              ?        
1 1 1 4  29 30 o 18.10818 8.703109 -7.977167      9.181536      -7.977167      9.181536      ?              ?             18.10818 8.703109 ?        ?        ?              ?        
1 1 1 4  29 31 o 57.04178 4.671933 36.71906       5.335350      33.96318       7.247461      39.47493       7.828392      54.90508 6.599992 59.17847 6.614223 -4.273392      9.343866 
1 1 1 4  29 32 o 32.09016 6.416131 13.90691       4.537633      18.18596       6.237917      9.627860       6.590727      37.61750 8.491981 26.56283 9.620457 11.05467       12.83226 
1 1 1 4  29 33 o 22.52357 6.396452 6.235793       4.498669      8.721042       6.371107      3.747710       6.352687      24.80016 9.377147 20.24698 8.702155 4.553183       12.79290 
1 1 1 4  30 0  o 60.16578 7.364995 38.07928       8.643111      38.07928       8.643111      38.07928       8.643111      60.16578 7.364995 60.16578 7.364995 0.000000       0.000000 
1 1 1 4  30 1  o 29.42516 7.433820 7.580434       5.627941      4.730333       7.778800      10.42133       8.140111      26.43148 10.26412 32.41884 10.75614 -5.987366      14.86764 
1 1 1 4  30 2  o 126.2672 3.099645 160.3226       7.828392      163.5815       11.14395      157.1346       10.99517      127.5388 4.368846 124.9956 4.398224 2.543221       6.199289 
1 1 1 4  30 3  o 43.29676 6.977050 20.07044       5.923365      22.96801       8.388069      17.17287       8.366816      46.54379 9.340028 40.04974 10.36730 6.494045       13.95410 
1 1 1 4  30 4  o 151.9597 2.939072 232.1597       8.933578      234.4976       12.61753      229.8218       12.64586      152.7298 4.130669 151.1895 4.182123 1.540298       5.878144 
1 1 1 4  30 5  o 66.25838 4.958726 44.63246       6.554596      42.54961       9.592437      46.70823       8.933578      64.65170 7.418550 67.86507 6.581867 -3.213379      9.917452 
1 1 1 4  30 6  o 27.82547 7.781926 3.576265       6.736668      -1.357394      10.03876      8.508506       8.983169      24.68009 10.77571 30.97086 11.23021 -6.290764      15.56385 
1 1 1 4  30 7  o 104.9188 4.102575 111.5812       8.586436      102.7963       12.13578      120.3660       12.15703      100.7334 6.023713 109.1041 5.571298 -8.370743      8.205150 
1 1 1 4  30 8  f 31.96498 8.395405 8.664365       7.176617      9.996255       10.67637      7.332476       9.585353      33.52764 12.23449 30.40232 11.49994 3.125317       16.79081 
1 1 1 4  30 9  f 24.94789 7.484765 -2.413695      7.068932      -10.96683      10.17337      6.140152       9.819141      20.26455 9.550983 29.63123 11.52673 -9.366680      14.96953 
1 1 1 4  30 10 o 109.5766 4.172044 121.5703       9.146112      122.8455       13.51017      120.2951       12.33415      110.0965 6.135609 109.0568 5.654919 1.039673       8.344089 
1 1 1 4  30 11 o 134.5301 3.628464 182.8514       9.755382      181.0803       14.93416      184.6225       12.54668      133.7524 5.582763 135.3077 4.636353 -1.555237      7.256928 
1 1 1 4  30 12 o 127.9353 3.410646 165.2110       8.728126      167.1946       12.36957      163.1564       12.31289      128.7217 4.804772 127.1488 4.841921 1.572845       6.821293 
1 1 1 4  30 13 o 38.68173 7.784389 15.94017       6.514214      20.96309       9.124859      10.92433       9.301972      43.98362 10.50276 33.37984 11.49256 10.60378       15.56878 
1 1 1 4  30 14 o 37.96988 8.416120 14.71454       7.537927      21.56527       10.42841      7.863815       10.88182      44.28167 11.62652 31.65809 12.17162 12.62358       16.83224 
1 1 1 4  30 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  30 16 o 38.50386 8.623333 16.06060       7.474166      17.36415       10.31506      14.75705       10.81806      39.71820 11.98714 37.28952 12.39984 2.428673       17.24667 
1 1 1 4  30 17 o 26.95981 7.481700 1.878814       6.667948      -8.083434      9.096521      11.84531       9.755382      19.73645 9.240505 34.18318 11.76930 -14.44674      14.96340 
1 1 1 4  30 18 o 32.70277 8.141143 10.59844       6.636776      11.55485       9.762465      9.649114       8.997337      33.81051 11.76074 31.59502 11.26046 2.215496       16.28229 
1 1 1 4  30 19 o 35.69166 8.033869 13.64478       6.724624      19.78706       10.06710      7.502505       8.919409      41.94845 11.61233 29.43487 11.10523 12.51358       16.06774 
1 1 1 4  30 20 o 43.35204 7.514000 21.23938       6.789802      30.40675       9.663282      12.07202       9.542846      52.78183 9.500231 33.92225 11.64416 18.85958       15.02800 
1 1 1 4  30 21 o 63.99733 5.572767 43.04553       7.134109      41.52944       10.01042      44.56161       10.15920      62.83675 7.965421 65.15790 7.795831 -2.321144      11.14553 
1 1 1 4  30 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  30 23 o 27.20590 7.523932 5.851812       5.999169      7.282885       8.040927      4.417905       8.905238      28.07138 10.55483 26.34042 10.72538 1.730963       15.04786 
1 1 1 4  30 24 o 21.20576 6.753838 -3.310595      6.208163      0.4405153      7.970083      -7.061847      9.521592      22.23780 9.654814 20.17371 9.446792 2.064089       13.50768 
1 1 1 4  30 25 o 90.08599 4.526474 86.14774       8.097604      98.26226       11.59735      74.10406       11.32106      96.72882 5.994778 83.44316 6.783695 13.28566       9.052949 
1 1 1 4  30 26 o 65.35414 5.761879 46.91368       7.509589      48.90443       10.35756      44.92293       10.88890      67.03680 7.725283 63.67149 8.550848 3.365318       11.52376 
1 1 1 4  30 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  30 28 o 30.11306 7.559345 11.07310       5.983583      5.584017       8.083434      16.56360       8.820225      24.88568 10.18990 35.34044 11.16874 -10.45476      15.11869 
1 1 1 4  30 29 o 30.58691 7.207617 12.22788       5.226249      13.57394       7.091603      10.88182       7.679617      32.17759 9.985750 28.99623 10.39633 3.181362       14.41523 
1 1 1 4  30 30 o 22.60747 6.568660 5.020798       4.780632      3.849727       6.417865      6.191869       7.084518      21.40371 8.951381 23.81123 9.615715 -2.407526      13.13732 
1 1 1 4  30 31 o 27.16205 6.616440 10.03876       4.610604      5.505378       6.325766      14.56577       6.709038      22.21249 9.041220 32.11162 9.662581 -9.899128      13.23288 
1 1 1 4  30 32 o 29.07738 6.332480 12.17120       4.417197      6.425658       6.086309      17.91675       6.403696      22.33574 8.956872 35.81902 8.954088 -13.48328      12.66496 
1 1 1 4  31 0  o 69.33756 6.807396 49.81833       9.273635      49.81833       9.273635      49.81833       9.273635      69.33756 6.807396 69.33756 6.807396 0.000000       0.000000 
1 1 1 4  31 1  o 97.17731 3.679098 95.35760       7.155363      90.61098       9.826226      100.1042       10.40007      94.76029 5.184781 99.59433 5.221217 -4.834038      7.358196 
1 1 1 4  31 2  o 112.0991 3.427426 126.7420       7.679617      120.2243       10.68345      133.2598       11.04476      109.2067 4.891389 114.9915 4.802427 -5.784729      6.854852 
1 1 1 4  31 3  o 94.43250 3.760343 90.04422       7.084518      85.79351       10.25130      94.36578       9.790804      92.14235 5.562750 96.72263 5.061278 -4.580284      7.520686 
1 1 1 4  31 4  o 130.4977 3.208246 171.5162       8.373900      173.4998       11.91616      169.5325       11.76738      131.2519 4.539423 129.7435 4.534864 1.508377       6.416491 
1 1 1 4  31 5  o 52.95749 6.592082 31.45526       6.534760      48.85484       9.330310      14.06277       9.146112      69.33255 6.728665 36.58244 11.33787 32.75011       13.18416 
1 1 1 4  31 6  o 39.22807 8.343521 16.64153       7.247461      22.29498       11.39190      10.98100       8.969000      45.16260 12.28745 33.29353 11.29053 11.86906       16.68704 
1 1 1 4  31 7  o 24.54272 7.407813 0.3578390      6.446911      1.515378       8.869816      -0.7998421     9.358648      25.00258 10.49335 24.08286 10.45908 0.9197140      14.81563 
1 1 1 4  31 8  o 43.36270 8.459886 20.50259       7.587519      19.02193       10.74013      21.97617       10.72596      41.88041 12.12695 44.84499 11.79897 -2.964577      16.91977 
1 1 1 4  31 9  o 92.96581 4.281686 87.70633       7.948828      91.46112       11.16520      83.95154       11.32814      94.99491 5.876736 90.93671 6.228588 4.058205       8.563372 
1 1 1 4  31 10 o 128.6592 3.683427 167.4072       9.479085      166.4862       13.25513      168.2573       13.55268      128.3309 5.164436 128.9875 5.253488 -0.6565857     7.366854 
1 1 1 4  31 11 o 133.0973 4.165956 180.0884       11.03768      190.8569       14.74997      169.3908       16.42191      137.2420 5.373708 128.9526 6.367420 8.289337       8.331913 
1 1 1 4  31 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  31 13 o 59.50544 9.417187 40.26131       10.93141      40.23298       15.71346      40.28965       15.20337      59.38651 13.52764 59.62437 13.10483 -0.2378578     18.83437 
1 1 1 4  31 14 o 106.1519 4.799624 115.5485       10.16628      111.2269       14.89874      119.8700       13.84315      104.0189 7.161555 108.2849 6.392002 -4.266029      9.599248 
1 1 1 4  31 15 o 68.41482 6.086218 48.72731       8.331393      49.43577       12.78047      48.01886       10.69762      68.68546 9.303621 68.14417 7.849257 0.5412903      12.17244 
1 1 1 4  31 16 o 54.09800 6.141402 30.59803       6.648820      29.92500       9.216957      31.27814       9.578268      53.52000 8.610760 54.67600 8.759116 -1.155994      12.28280 
1 1 1 4  31 17 o 52.24541 6.497755 29.31573       6.611980      25.89391       9.273635      32.73756       9.429493      48.57909 9.888202 55.91174 8.432481 -7.332645      12.99551 
1 1 1 4  31 18 o 45.80249 7.215295 23.57019       6.509964      17.27914       8.961915      29.86124       9.443663      39.24973 10.98643 52.35526 9.356302 -13.10553      14.43059 
1 1 1 4  31 19 o 32.96157 7.832035 11.53359       6.145111      12.89382       8.345562      10.17337       9.025676      34.23267 10.86872 31.69047 11.27981 2.542202       15.66407 
1 1 1 4  31 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  31 21 o 45.44945 7.691092 23.83940       6.992419      29.13862       9.691620      18.54727       10.08127      51.00032 9.853175 39.89858 11.81213 11.10174       15.38218 
1 1 1 4  31 22 o 30.38890 8.166371 8.189702       7.176617      2.860020       10.31506      13.51726       9.975000      26.30104 11.18902 34.47677 11.89808 -8.175735      16.33274 
1 1 1 4  31 23 o 39.70698 8.895234 19.31948       8.097604      13.89982       10.98100      24.73914       11.90907      34.79646 12.43613 44.61750 12.72177 -9.821049      17.79047 
1 1 1 4  31 24 f 32.48620 8.102772 11.52651       7.112856      3.788800       10.03876      19.25572       10.08127      25.94642 11.03816 39.02598 11.86502 -13.07957      16.20554 
1 1 1 4  31 25 o 36.85947 8.751834 16.06769       8.373900      24.33532       11.03059      7.800055       12.61044      43.60524 12.18315 30.11370 12.56779 13.49154       17.50367 
1 1 1 4  31 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  31 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  31 28 o 19.10561 6.001561 -2.875606      5.036384      -11.58319      6.755087      5.835517       7.474166      13.93896 6.865536 24.27225 9.845778 -10.33328      12.00312 
1 1 1 4  31 29 o 52.07266 5.243577 31.95826       5.465705      28.63562       7.332476      35.28090       8.111773      49.34313 7.430089 54.80219 7.400958 -5.459053      10.48715 
1 1 1 4  31 30 o 19.09201 6.144183 -0.1283715     5.273006      2.813262       7.204955      -3.070430      7.700871      20.49302 9.034346 17.69100 8.329738 2.802015       12.28837 
1 1 1 4  31 31 o 18.54204 5.960711 0.6726041      4.917363      -3.504711      6.709038      4.849352       7.190785      15.98030 7.621817 21.10378 9.166688 -5.123482      11.92142 
1 1 1 4  32 0  o 123.3179 5.053802 153.5923       12.41916      153.5923       12.41916      153.5923       12.41916      123.3179 5.053802 123.3179 5.053802 0.000000       0.000000 
1 1 1 4  32 1  o 81.90739 4.555627 68.40102       7.424574      60.31050       10.44966      76.51279       10.55593      76.96875 6.788251 86.84603 6.077383 -9.877281      9.111254 
1 1 1 4  32 2  o 151.6579 3.236027 232.0888       9.812057      244.3450       14.06277      219.7617       13.68729      155.6935 4.516170 147.6224 4.635912 8.071136       6.472054 
1 1 1 4  32 3  o 24.13647 7.380409 -1.122187      6.654488      -5.010880      9.216957      2.766504       9.599521      21.51826 9.783676 26.75467 11.05267 -5.236404      14.76082 
1 1 1 4  32 4  f 32.23569 8.279724 9.379901       6.910948      9.075267       9.592437      9.691620       9.946663      31.83534 11.59878 32.63604 11.81878 -0.8006973     16.55945 
1 1 1 4  32 5  o 67.57914 5.937950 47.20414       8.048012      41.22481       10.58427      53.17639       12.12161      63.29219 8.361434 71.86609 8.433471 -8.573895      11.87590 
1 1 1 4  32 6  o 56.79660 7.381629 34.55119       8.161365      28.86232       11.40607      40.24714       11.66820      51.34907 11.40622 62.24413 9.372932 -10.89506      14.76326 
1 1 1 4  32 7  o 69.48645 6.646883 50.43468       9.202788      54.60747       12.92216      46.25482       13.11344      72.51332 8.910198 66.45957 9.865728 6.053749       13.29377 
1 1 1 4  32 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  32 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  32 10 o 88.77864 5.201104 81.33026       9.216957      76.08772       13.03551      86.50197       13.04260      85.84673 7.592319 91.71055 7.110740 -5.863823      10.40221 
1 1 1 4  32 11 o 31.58616 8.489204 8.232210       7.467082      10.67637       10.63386      5.785217       10.47800      33.60849 12.21538 29.56382 11.79198 4.044670       16.97841 
1 1 1 4  32 12 f 32.16623 8.198823 9.542846       6.868440      12.90091       9.698705      6.183367       9.727042      35.15870 11.74082 29.17376 11.44710 5.984932       16.39765 
1 1 1 4  32 13 o 41.58812 7.735071 19.12111       6.852854      26.99910       9.712874      11.25021       9.670367      49.70390 10.12198 33.47235 11.69918 16.23154       15.47014 
1 1 1 4  32 14 o 56.28946 6.251339 33.26889       7.038468      33.31141       9.755382      33.22639       10.14503      56.38228 8.651105 56.19663 9.026369 0.1856537      12.50268 
1 1 1 4  32 15 o 86.63324 4.568706 77.36294       7.828392      85.22675       10.32214      69.53455       11.76738      91.32008 5.651628 81.94639 7.179929 9.373695       9.137411 
1 1 1 4  32 16 o 19.14467 6.562636 -16.93908      7.800055      -12.14286      11.00226      -21.73530      11.06602      20.50772 9.776226 17.78162 8.757749 2.726101       13.12527 
1 1 1 4  32 17 o 79.55495 6.147082 68.85443       9.741212      47.62921       12.21371      90.11507       15.16795      66.73176 9.151346 92.37815 8.209708 -25.64639      12.29416 
1 1 1 4  32 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  32 19 o 50.62897 8.918173 30.93100       9.124859      38.58229       14.10528      23.27973       11.58319      57.02206 12.69849 44.23588 12.52532 12.78618       17.83635 
1 1 1 4  32 20 o 22.60674 7.387613 -5.806470      7.877984      -6.264839      12.09327      -5.348103      10.10252      23.52011 10.87818 21.69337 9.998625 1.826746       14.77523 
1 1 1 4  32 21 o 48.50116 6.781980 26.67321       6.451162      21.42358       8.926493      31.92284       9.316141      42.81606 10.49204 54.18626 8.596405 -11.37020      13.56396 
1 1 1 4  32 22 o 23.77330 7.107333 2.372605       5.934701      5.330391       8.324308      -0.5858188     8.465999      25.76132 10.41495 21.78528 9.673964 3.976042       14.21467 
1 1 1 4  32 23 o 86.01747 4.299833 78.07139       7.382068      85.08506       10.57718      71.05771       10.30089      90.03407 5.873991 82.00089 6.280962 8.033180       8.599666 
1 1 1 4  32 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  32 25 o 43.66783 8.241390 25.95059       7.396237      28.52227       10.17337      23.37182       10.73304      46.57751 11.06923 40.75816 12.21287 5.819347       16.48278 
1 1 1 4  32 26 o 40.69357 7.749090 22.83340       6.752962      17.94508       10.27255      27.71463       8.763549      34.80417 12.06813 46.58297 9.723877 -11.77880      15.49818 
1 1 1 4  32 27 o 63.92952 6.454714 50.90226       8.203872      42.35833       11.10852      59.43911       12.08619      57.88601 9.595173 69.97304 8.636317 -12.08703      12.90943 
1 1 1 4  32 28 o 35.74988 8.114620 19.82248       7.212039      27.41000       9.840395      12.23496       10.54176      42.97892 11.29836 28.52084 11.65055 14.45808       16.22924 
1 1 1 4  32 29 o 24.18279 6.836910 7.052638       5.404778      10.17337       6.621190      3.931907       8.543928      26.56116 9.640417 21.80442 9.697201 4.756744       13.67382 
1 1 1 4  33 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  33 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  33 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  33 3  o 63.10064 7.493304 42.98177       9.216957      47.14038       13.09219      38.83024       12.98592      66.84410 9.793077 59.35718 11.34434 7.486919       14.98661 
1 1 1 4  33 4  o 52.10519 7.843082 30.71847       8.586436      50.11588       12.22079      11.32814       12.07202      69.28370 8.819386 34.92668 12.97205 34.35702       15.68616 
1 1 1 4  33 5  o 70.95569 6.856761 52.97802       9.684536      50.88810       14.75705      55.06796       12.53960      69.18731 10.66457 72.72407 8.621353 -3.536758      13.71352 
1 1 1 4  33 6  o 92.73147 4.811738 88.20225       8.919409      93.44479       12.81589      83.03055       12.41208      95.50166 6.709775 89.96127 6.898566 5.540390       9.623476 
1 1 1 4  33 7  o 24.43977 7.532344 -7.050512      7.849646      -20.26880      11.54068      6.169907       10.64095      18.88648 9.226873 29.99305 11.90839 -11.10656      15.06469 
1 1 1 4  33 8  o 36.56173 7.885360 12.76630       7.325392      24.90916       10.53468      0.6224458      10.18754      47.39550 11.26437 25.72795 11.03765 21.66755       15.77072 
1 1 1 4  33 9  o 36.50756 7.964537 13.17012       7.233293      2.575931       10.05293      23.76856       10.39299      26.80817 11.20685 46.20695 11.31998 -19.39878      15.92907 
1 1 1 4  33 10 o 35.67802 8.480357 13.41808       7.162447      12.26330       10.01042      14.57285       10.24421      34.53603 11.91912 36.82001 12.06650 -2.283974      16.96071 
1 1 1 4  33 11 o 26.63942 7.689666 3.561387       6.543969      5.844728       9.039845      1.278047       9.464915      28.10738 11.03377 25.17145 10.71354 2.935925       15.37933 
1 1 1 4  33 12 o 70.66678 5.027519 51.85158       7.084518      45.70931       9.797889      57.99386       10.23713      66.37447 7.380766 74.95910 6.828476 -8.584633      10.05504 
1 1 1 4  33 13 o 24.81755 6.922079 -2.142358      6.277591      -16.35815      8.543928      12.07202       9.202788      15.86277 7.801404 33.77234 11.43673 -17.90957      13.84416 
1 1 1 4  33 14 o 57.18872 7.048439 37.03786       7.644195      22.43667       10.42841      51.64614       11.17229      44.24564 11.63088 70.13179 7.965208 -25.88615      14.09688 
1 1 1 4  33 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  33 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  33 17 o 72.14942 4.835707 54.40201       6.980375      53.21889       9.670367      55.58513       10.06710      71.39471 6.772468 72.90414 6.904341 -1.509430      9.671413 
1 1 1 4  33 18 o 30.96095 7.891670 10.01042       6.387401      5.903528       8.515590      14.11236       9.521592      26.94317 10.66698 34.97873 11.63312 -8.035557      15.78334 
1 1 1 4  33 19 o 42.16386 8.052469 21.33857       6.985334      18.42683       9.018591      24.25031       10.66928      39.45996 11.01326 44.86774 11.75062 -5.407780      16.10494 
1 1 1 4  33 20 o 82.83498 4.843784 73.46645       7.991336      76.15857       10.57010      70.74599       11.99409      84.83247 6.229986 80.83750 7.418642 3.994965       9.687568 
1 1 1 4  33 21 o 23.64236 7.526096 -1.827097      7.545012      2.444159       11.07310      -6.098353      10.25130      26.14941 11.36702 21.13531 9.867088 5.014105       15.05219 
1 1 1 4  33 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  33 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  33 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  33 25 o 27.33297 7.782569 8.551013       6.631817      11.86657       9.642029      5.234750       9.110690      29.91327 11.46956 24.75266 10.52249 5.160608       15.56514 
1 1 1 4  33 26 o 24.57747 6.824963 6.373232       5.246794      11.12269       7.261631      1.625897       7.573349      28.51675 10.12090 20.63819 9.159033 7.878561       13.64993 
1 1 1 4  33 27 o 35.01271 7.515878 18.65354       5.761838      15.20337       7.240376      22.10369       8.969000      32.21273 10.10874 37.81268 11.12506 -5.599953      15.03176 
1 1 1 4  33 28 o 19.13825 6.038608 1.970913       4.705537      3.148360       6.682117      0.7934660      6.627566      19.93662 8.747304 18.33989 8.327294 1.596729       12.07722 
1 1 1 4  34 0  o 80.50838 7.004567 67.17540       11.11561      67.17540       11.11561      67.17540       11.11561      80.50838 7.004567 80.50838 7.004567 0.000000       0.000000 
1 1 1 4  34 1  o 95.25903 4.300831 92.73634       8.189702      89.05238       11.51943      96.42028       11.64695      93.33669 6.170899 97.18137 5.992377 -3.844688      8.601662 
1 1 1 4  34 2  o 92.64005 4.423579 87.91887       8.196787      80.55096       11.18645      95.35760       11.98701      88.71800 6.304501 96.56210 6.206889 -7.844093      8.847157 
1 1 1 4  34 3  o 90.61546 4.475668 84.16407       8.104689      79.98421       11.47692      88.27309       11.44150      88.32529 6.496962 92.90565 6.157589 -4.580360      8.951336 
1 1 1 4  34 4  o 43.20081 8.654275 20.77889       7.977167      23.26556       10.07418      18.29222       12.38374      45.68088 11.11651 40.72073 13.26684 4.960148       17.30855 
1 1 1 4  34 5  o 32.95197 7.686149 9.167366       6.899612      -2.312387      9.443663      20.64428       10.06001      22.99173 10.21254 42.91222 11.48963 -19.92048      15.37230 
1 1 1 4  34 6  o 94.57642 4.500313 91.95705       8.508506      84.30576       11.70362      99.60831       12.35540      90.59871 6.459045 98.55412 6.268332 -7.955414      9.000626 
1 1 1 4  34 7  o 119.7922 4.011181 146.7204       9.642029      137.5813       12.54668      155.9302       14.64370      116.1627 5.400476 123.4217 5.932383 -7.258980      8.022363 
1 1 1 4  34 8  o 35.17694 8.187882 12.62461       7.078141      19.20613       9.946663      6.033884       10.07418      41.25705 11.58274 29.09683 11.57608 12.16022       16.37576 
1 1 1 4  34 9  o 28.75630 7.995242 5.985001       6.826642      2.867813       9.450747      9.103605       9.854564      26.13854 10.89252 31.37405 11.70678 -5.235508      15.99048 
1 1 1 4  34 10 o 29.44895 8.388119 5.769631       7.637110      7.545012       10.48509      3.994960       11.10144      30.44627 11.89734 28.45164 11.82774 1.994635       16.77624 
1 1 1 4  34 11 o 26.46767 7.903742 1.960286       7.325392      -2.228081      10.03876      6.148653       10.66220      23.51783 10.48374 29.41751 11.83080 -5.899685      15.80748 
1 1 1 4  34 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  34 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  34 14 o 24.85392 7.400465 2.088516       6.347728      4.458287       8.749379      -0.2808303     9.195704      26.23918 10.64895 23.46866 10.27947 2.770512       14.80093 
1 1 1 4  34 15 o 30.86157 7.841150 9.755382       6.269090      6.930075       8.919409      12.57502       8.813140      28.23150 10.98518 33.49163 11.19198 -5.260128      15.68230 
1 1 1 4  34 16 o 31.26069 7.300863 8.104689       6.468165      19.68787       8.976085      -3.469997      9.309056      40.92919 10.80518 21.59220 9.821331 19.33699       14.60173 
1 1 1 4  34 17 o 40.94083 7.603743 19.95709       6.679992      28.15387       9.464915      11.76738       9.422408      49.45105 9.919612 32.43061 11.52688 17.02045       15.20749 
1 1 1 4  34 18 o 25.35053 7.517735 3.903569       6.461080      2.143067       9.032760      5.664072       9.238212      24.03559 10.35447 26.66548 10.90185 -2.629892      15.03547 
1 1 1 4  34 19 o 34.72732 7.709254 11.66112       7.459997      -2.844434      10.75430      26.17021       10.33631      23.15239 10.53773 46.30225 11.25552 -23.14986      15.41851 
1 1 1 4  34 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  34 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  34 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  34 23 o 22.06386 6.928579 1.625897       6.108980      -0.2474622     7.778800      3.498335       9.422408      20.24393 9.119081 23.88379 10.43375 -3.639856      13.85716 
1 1 1 4  34 24 o 18.79866 6.235446 -3.830599      6.017590      -1.720829      7.580434      -5.940369      9.344479      18.82475 8.670614 18.77256 8.963459 0.5219650E-01  12.47089 
1 1 1 4  34 25 o 21.82305 7.042867 1.180281       6.911656      9.372816       10.93850      -7.010839      8.451830      26.51439 11.40812 17.13171 8.262127 9.382679       14.08573 
1 1 1 4  34 26 o 24.75283 7.237563 7.693786       6.148653      2.897568       8.954830      12.48292       8.423491      21.43476 9.712751 28.07089 10.73274 -6.636135      14.47513 
1 1 1 4  34 27 o 40.04900 6.866388 24.36366       5.537259      20.96309       8.189702      27.75714       7.452912      35.28843 10.68723 44.80956 8.623933 -9.521130      13.73278 
1 1 1 4  35 0  o 85.75229 6.557054 75.94603       11.11561      75.94603       11.11561      75.94603       11.11561      85.75229 6.557054 85.75229 6.557054 0.000000       0.000000 
1 1 1 4  35 1  o 31.19509 8.164012 9.153197       6.751545      9.273635       9.670367      9.032760       9.422408      31.38008 11.61910 31.01009 11.47175 0.3699932      16.32802 
1 1 1 4  35 2  o 85.37167 4.579032 75.23758       7.807138      69.25117       10.83223      81.25941       11.25730      81.90594 6.612602 88.83739 6.335901 -6.931450      9.158064 
1 1 1 4  35 3  o 85.84755 4.604500 76.15857       7.892153      69.72582       11.00226      82.60548       11.32106      82.13557 6.697620 89.55953 6.320410 -7.423965      9.209001 
1 1 1 4  35 4  o 19.39508 6.599831 -15.52218      7.679617      -21.30314      10.81097      -9.734127      10.91016      17.55314 8.645048 21.23701 9.974678 -3.683870      13.19966 
1 1 1 4  35 5  o 25.11747 7.536114 1.101642       6.731709      4.590768       9.316141      -2.387482      9.719957      27.14191 10.99947 23.09303 10.30455 4.048882       15.07223 
1 1 1 4  35 6  o 61.50305 7.693238 42.77632       9.259464      54.28157       14.23280      31.27814       11.85240      70.77735 10.05463 52.22876 11.64681 18.54860       15.38648 
1 1 1 4  35 7  o 39.14699 9.164809 16.93908       8.827310      24.71080       12.37665      9.160281       12.58210      45.58020 12.96045 32.71377 12.96154 12.86644       18.32962 
1 1 1 4  35 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  35 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  35 10 o 28.64539 8.001383 6.560264       6.821682      5.083141       9.705790      8.033843       9.585353      27.53914 11.20258 29.75164 11.42763 -2.212505      16.00277 
1 1 1 4  35 11 o 62.57005 5.588245 41.77032       6.918740      34.84874       9.734127      48.69189       9.833311      57.05775 8.530066 68.08235 7.221630 -11.02460      11.17649 
1 1 1 4  35 12 o 44.87331 7.592332 23.42850       6.734542      23.34349       9.507423      23.51352       9.535762      44.79023 10.73672 44.95640 10.73764 -0.1661720     15.18466 
1 1 1 4  35 13 o 28.97591 7.770794 7.771716       6.327183      10.65512       8.820225      4.892568       9.075267      31.38599 11.15277 26.56584 10.82390 4.820143       15.54159 
1 1 1 4  35 14 o 30.82487 7.800351 9.259464       6.522716      15.16087       8.919409      3.359478       9.521592      35.87391 11.21224 25.77583 10.84746 10.09808       15.60070 
1 1 1 4  35 15 o 35.42955 7.554667 13.90691       6.740918      24.34240       9.245295      3.465038       9.812057      45.15258 10.43856 25.70651 10.92375 19.44607       15.10933 
1 1 1 4  35 16 o 21.00254 7.009118 -9.337394      7.764632      -17.66170      10.40007      -1.020879      11.52651      17.41168 8.576842 24.59340 11.08822 -7.181723      14.01824 
1 1 1 4  35 17 o 30.73030 8.372806 8.288886       7.977167      -2.416529      10.44966      18.98651       12.05785      22.98623 10.44212 38.47437 13.09113 -15.48814      16.74561 
1 1 1 4  35 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  35 19 o 20.81355 6.904432 -1.835599      7.311223      -3.148360      10.23713      -0.5226957     10.43549      20.21864 9.544471 21.40845 9.979370 -1.189806      13.80886 
1 1 1 4  35 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  35 21 o 22.37698 6.828690 2.557511       5.664781      -0.7332476     7.906322      5.848269       8.111773      20.09206 9.114220 24.66190 10.17128 -4.569834      13.65738 
1 1 1 4  35 22 o 21.02249 6.556299 1.839849       5.400528      0.6257046      7.594603      3.054136       7.679617      20.20302 9.059221 21.84197 9.480018 -1.638947      13.11260 
1 1 1 4  35 23 o 21.51547 6.637566 3.230540       5.381400      3.511796       7.559181      2.948576       7.658363      21.66731 9.404818 21.36362 9.369020 0.3036880      13.27513 
1 1 1 4  35 24 o 20.45680 6.351214 2.623397       5.098727      -0.1201534     7.190785      5.367230       7.226208      18.64298 8.527191 22.27062 9.414813 -3.627644      12.70243 
1 1 1 4  35 25 o 18.75882 6.017235 1.287965       4.918780      1.942575       6.856396      0.6337101      7.054762      19.06489 8.576114 18.45275 8.442674 0.6121407      12.03447 
1 1 1 4  36 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  36 1  o 29.56833 9.588202 -4.011254      12.80881      -7.155363      15.40883      -0.8643113     20.46717      26.54961 12.27928 32.58705 14.72935 -6.037441      19.17640 
1 1 1 4  36 2  o 52.99910 8.268512 32.95718       8.558097      37.86674       11.94450      28.04761       12.24913      57.62049 10.76443 48.37770 12.55389 9.242794       16.53702 
1 1 1 4  36 3  f 19.44222 6.664580 -17.03827      8.104689      -11.49817      11.24313      -22.57836      11.68237      20.75694 9.891927 18.12751 8.933998 2.629436       13.32916 
1 1 1 4  36 4  o 57.47094 7.936303 37.91634       8.784801      39.43951       12.31289      36.40025       12.53251      58.87582 10.86474 56.06606 11.57139 2.809765       15.87261 
1 1 1 4  36 5  o 24.98725 7.401981 -1.265295      6.966206      -12.05785      9.649114      9.528677       10.05293      18.61303 8.939956 31.36147 11.79977 -12.74844      14.80396 
1 1 1 4  36 6  o 56.08095 7.397067 35.42967       8.012589      40.72889       10.63386      30.13046       11.98701      61.60369 8.630864 50.55820 12.01560 11.04549       14.79413 
1 1 1 4  36 7  o 57.54409 6.785325 36.94576       7.509589      30.66888       10.74013      43.22973       10.49926      51.58797 10.76186 63.50021 8.267102 -11.91224      13.57065 
1 1 1 4  36 8  o 30.04042 7.971901 8.373900       6.733834      3.535174       9.464915      13.21263       9.578268      25.96744 10.86599 34.11341 11.66770 -8.145973      15.94380 
1 1 1 4  36 9  o 35.19423 8.354907 14.33198       6.944952      13.79356       9.939578      14.87749       9.705790      34.68157 11.88572 35.70688 11.74511 -1.025307      16.70981 
1 1 1 4  36 10 o 38.27303 8.290563 17.49876       6.943536      17.07369       9.719957      17.91675       9.918325      37.85692 11.67911 38.68914 11.76996 -0.8322182     16.58113 
1 1 1 4  36 11 o 35.93113 8.206006 15.38757       6.882609      19.91458       9.953747      10.85348       9.507423      40.37007 11.66967 31.49218 11.54006 8.877893       16.41201 
1 1 1 4  36 12 o 22.20250 7.276584 -5.258129      7.757547      -3.693159      10.39299      -6.823099      11.51234      22.28570 10.21761 22.11931 10.36316 0.1663914      14.55317 
1 1 1 4  36 13 o 27.96747 8.359832 5.384942       8.062181      4.782758       10.90307      5.987126       11.87365      27.27152 11.54853 28.66342 12.09043 -1.391897      16.71966 
1 1 1 4  36 14 o 44.87036 8.093904 21.74238       9.741212      42.18830       11.86657      1.290799       15.44425      60.89507 9.743455 28.84565 12.92711 32.04942       16.18781 
1 1 1 4  36 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  36 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  36 17 o 37.80381 7.810893 18.80231       6.684242      25.87266       9.386987      11.72488       9.514507      45.02597 10.58965 30.58164 11.48475 14.44433       15.62179 
1 1 1 4  36 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  36 19 o 36.68924 7.006233 17.59794       5.892194      27.19038       8.373900      8.012589       8.288886      46.87171 9.262409 26.50677 10.51461 20.36494       14.01247 
1 1 1 4  36 20 o 16.76532 5.678545 -7.573349      5.520965      -12.84423      7.679617      -2.302468      7.934660      14.62280 7.215526 18.90784 8.770389 -4.285035      11.35709 
1 1 1 4  36 21 o 25.81379 7.177745 8.671450       5.469956      10.45675       7.863815      6.888276       7.601687      27.40165 10.40111 24.22593 9.894293 3.175716       14.35549 
1 1 1 4  36 22 o 34.71369 7.105787 17.78214       5.338893      21.74947       7.707955      13.81481       7.389152      39.14957 9.846177 30.27781 10.24801 8.871765       14.21157 
1 1 1 4  36 23 o 19.10938 5.881511 -2.100559      4.978291      9.776634       7.190785      -13.97775      6.888276      25.41648 9.868841 12.80229 6.401144 12.61419       11.76302 
1 1 1 4  37 0  o 35.93324 16.89768 21.64320       13.55268      21.64320       13.55268      21.64320       13.55268      35.93324 16.89768 35.93324 16.89768 0.000000       0.000000 
1 1 1 4  37 1  o 24.10496 7.702960 -3.700243      8.090520      2.579473       11.97283      -9.982086      10.87473      27.53624 11.89248 20.67368 9.793429 6.862560       15.40592 
1 1 1 4  37 2  o 27.04072 8.165502 2.335766       7.991336      -2.288299      11.31397      6.959122       11.28564      24.37887 10.98884 29.70257 12.08086 -5.323702      16.33100 
1 1 1 4  37 3  o 45.21816 8.715222 24.97293       9.500339      5.630774       12.49709      44.31366       14.30364      29.65942 12.45200 60.77689 12.19706 -31.11747      17.43044 
1 1 1 4  37 4  o 29.94697 8.227970 8.536844       7.072474      7.984251       9.847479      9.082352       10.15211      29.42423 11.52338 30.46970 11.74775 -1.045471      16.45594 
1 1 1 4  37 5  o 34.95439 8.791890 14.30364       7.764632      16.35107       11.55485      12.26330       10.37173      36.81370 12.79591 33.09508 12.06043 3.718624       17.58378 
1 1 1 4  37 6  o 28.57919 7.726754 6.461080       6.739501      14.42408       9.677451      -1.499084      9.379901      34.72629 11.72796 22.43210 10.06309 12.29420       15.45351 
1 1 1 4  37 7  o 24.64712 7.573603 1.633690       7.004463      -0.5088100     9.812057      3.775340       9.996255      23.29051 10.37404 26.00373 11.03708 -2.713221      15.14721 
1 1 1 4  37 8  o 35.75211 9.095469 16.00393       8.416408      11.52651       11.29981      20.48134       12.48292      32.08516 12.38915 39.41906 13.31987 -7.333893      18.19094 
1 1 1 4  37 9  o 34.34774 8.736579 12.40499       8.558097      23.25139       11.99409      1.550092       12.22079      42.19264 12.96489 26.50283 11.71421 15.68981       17.47316 
1 1 1 4  37 10 o 31.63888 8.749489 9.344479       8.437660      15.74180       11.63278      2.943617       12.23496      35.88008 12.80223 27.39768 11.92967 8.482399       17.49898 
1 1 1 4  37 11 o 50.53770 9.516484 35.55011       9.819141      31.95118       12.94341      39.14196       14.77122      48.28355 13.08007 52.79184 13.82627 -4.508286      19.03297 
1 1 1 4  37 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  37 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  37 14 o 27.38388 7.831806 7.176617       6.884734      11.90199       9.606606      2.459745       9.861650      30.69450 11.53761 24.07325 10.59397 6.621252       15.66361 
1 1 1 4  37 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  37 16 o 35.79198 7.489848 17.31456       6.110397      10.56302       8.515590      24.06610       8.763549      28.73026 10.84753 42.85371 10.33065 -14.12345      14.97970 
1 1 1 4  37 17 o 30.90502 7.577310 13.04260       5.730666      13.65187       8.175533      12.44041       8.026759      31.51472 10.77953 30.29531 10.65196 1.219410       15.15462 
1 1 1 4  37 18 o 17.11099 5.757304 -6.208163      5.495461      -10.45675      7.828392      -1.958161      7.715039      15.46544 7.565702 18.75655 8.680226 -3.291105      11.51461 
1 1 1 4  37 19 o 22.97661 6.819345 5.039926       5.467831      8.883986       7.672533      1.197992       7.792970      25.74465 10.14642 20.20858 9.113947 5.536076       13.63869 
1 1 1 4  37 20 o 16.42540 5.536479 -5.065430      5.112188      -8.345562      7.445828      -1.782465      7.009422      15.30369 7.464013 17.54711 8.179177 -2.243422      11.07296 
1 1 1 4  37 21 o 22.79229 6.281995 3.643567       5.144068      -7.757547      7.169532      15.04752       7.374983      14.91256 7.282443 30.67203 10.23816 -15.75947      12.56399 
1 1 1 4  38 0  o 15.43625 10.71924 -5.571265      10.79680      -5.571265      10.79680      -5.571265      10.79680      15.43625 10.71924 15.43625 10.71924 0.000000       0.000000 
1 1 1 4  38 1  o 25.40983 7.799847 1.740666       7.438744      -1.073305      10.59844      4.553928       10.43549      23.85749 10.69979 26.96217 11.35187 -3.104679      15.59969 
1 1 1 4  38 2  o 45.92530 9.081139 27.09119       8.706873      25.79473       11.19354      28.39475       13.34723      45.36301 12.10781 46.48759 13.53769 -1.124588      18.16228 
1 1 1 4  38 3  o 38.95511 9.230000 19.43283       8.954830      29.79040       13.92816      9.075267       11.25730      47.34487 13.84264 30.56535 12.21282 16.77953       18.46000 
1 1 1 4  38 4  o 26.62767 8.557384 -1.749876      10.00334      3.232665       14.55868      -6.733126      13.71563      29.00146 12.80638 24.25388 11.35394 4.747581       17.11477 
1 1 1 4  38 5  o 39.52863 10.19044 20.53802       11.56193      32.10704       15.33090      8.961915       17.31456      46.85254 14.71091 32.20473 14.10565 14.64781       20.38088 
1 1 1 4  38 6  o 34.86729 15.99817 0.000000       0.000000      ?              ?             26.26231       25.53260      ?        ?        34.86729 15.99817 ?              ?        
1 1 1 4  38 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  38 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  38 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  38 10 o 28.92811 8.040593 9.082352       7.155363      3.038550       10.03168      15.13253       10.20170      24.46523 10.72612 33.39098 11.98144 -8.925753      16.08119 
1 1 1 4  38 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  38 12 o 25.26155 8.401085 -8.366816      12.44750      -23.74730      20.58052      7.006588       13.99901      22.91301 11.40118 27.61010 12.34204 -4.697096      16.80217 
1 1 1 4  38 13 o 21.55415 6.756691 0.1654943E-01  6.034592      5.637859       8.671450      -5.604562      8.395153      24.82552 10.39516 18.28279 8.634355 6.542734       13.51338 
1 1 1 4  38 14 o 17.39695 5.877000 -6.835143      5.785926      -8.416408      8.133026      -5.256712      8.232210      16.71847 8.073146 18.07543 8.542883 -1.356955      11.75400 
1 1 1 4  38 15 o 27.46423 7.493138 10.08127       5.844728      8.600604       8.168448      11.56902       8.359732      26.14387 10.41671 28.78458 10.77407 -2.640703      14.98628 
1 1 1 4  38 16 o 25.40567 7.179844 8.168448       5.570556      10.20170       7.977167      6.138027       7.778800      27.12495 10.42319 23.68639 9.877130 3.438555       14.35969 
1 1 1 4  38 17 o 27.37746 7.271384 10.78264       5.603854      14.38157       7.785885      7.183701       8.055097      30.70373 10.51951 24.05119 10.04152 6.652536       14.54277 
1 1 1 4  38 18 o 15.81189 5.395501 -6.850729      5.186575      -2.199743      7.445828      -11.50526      7.219123      17.64495 8.278924 13.97883 6.921355 3.666118       10.79100 
1 1 1 4  38 19 f 22.84206 6.714933 7.304138       5.090226      8.813140       7.346645      5.792302       7.044845      24.06396 9.761370 21.62015 9.223717 2.443808       13.42987 
1 1 1 4  39 0  o 22.49481 14.49407 7.169532       14.55868      7.169532       14.55868      7.169532       14.55868      22.49481 14.49407 22.49481 14.49407 -0.000000      0.000000 
1 1 1 4  39 1  o 27.57281 8.657977 5.050553       9.684536      13.60227       14.92708      -3.501877      12.33415      32.11120 13.55101 23.03441 10.78018 9.076792       17.31595 
1 1 1 4  39 2  o 20.87552 7.155613 -11.35648      9.082352      -17.42083      10.93850      -5.287884      14.49492      17.59319 8.664531 24.15786 11.39022 -6.564671      14.31123 
1 1 1 4  39 3  o 19.83906 6.649617 -7.066806      7.084518      -8.997337      10.08127      -5.136275      9.953747      19.18757 9.196968 20.49054 9.606527 -1.302971      13.29923 
1 1 1 4  39 4  o 53.24010 7.179532 37.24331       7.566265      16.54235       10.47092      57.93718       10.93141      34.74385 12.17091 71.73634 7.619159 -36.99249      14.35906 
1 1 1 4  39 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  39 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 4  39 7  o 19.05804 8.999830 0.000000       0.000000      ?              ?             -5.273006      9.117774      ?        ?        19.05804 8.999830 ?              ?        
1 1 1 4  39 8  o 23.49340 7.098747 1.920613       6.405821      -6.077100      9.068183      9.918325       9.046929      18.79122 8.921230 28.19558 11.04448 -9.404358      14.19749 
1 1 1 4  39 9  o 41.94638 8.090003 24.47701       7.070349      28.55061       9.996255      20.41050       10.00334      46.16649 10.97303 37.72626 11.89055 8.440231       16.18001 
1 1 1 4  39 10 o 23.48115 7.263116 2.618438       6.707621      7.835476       9.401155      -2.596476      9.571183      26.39045 10.92219 20.57184 9.576910 5.818613       14.52623 
1 1 1 4  39 11 o 20.85612 6.731091 -0.9160281     6.366147      -5.951704      8.947746      4.120355       9.061099      18.35197 8.764655 23.36028 10.21818 -5.008312      13.46218 
1 1 1 4  39 12 o 36.28405 8.297650 20.44592       6.956996      24.15821       10.13086      16.73363       9.535762      39.65776 11.86171 32.91034 11.60620 6.747417       16.59530 
1 1 1 4  39 13 f 26.90527 6.947274 7.297054       6.016881      17.81756       8.048012      -3.222747      8.947746      34.75621 10.60804 19.05432 8.973737 15.70189       13.89455 
1 1 1 4  39 14 o 24.48269 7.006436 7.622942       5.453662      4.398777       7.672533      10.85348       7.757547      21.85593 9.480705 27.10945 10.31876 -5.253515      14.01287 
1 1 1 4  39 15 o 24.75746 6.691932 6.803971       5.389901      15.77722       7.729208      -2.165737      7.509589      31.77182 10.48116 17.74310 8.323052 14.02872       13.38386 
1 1 1 4  39 16 o 25.69604 6.636693 8.791886       5.197911      17.41375       7.459997      0.1709494      7.240376      33.08113 10.23694 18.31096 8.449132 14.77017       13.27339 
1 1 1 4  40 0  o 32.94600 13.39789 17.71838       8.621859      17.71838       8.621859      17.71838       8.621859      32.94600 13.39789 32.94600 13.39789 0.000000       0.000000 
1 1 1 4  40 1  o 39.69164 7.638264 21.65029       6.223041      21.67154       8.735210      21.62903       8.869816      39.79345 10.72986 39.58982 10.87393 0.2036247      15.27653 
1 1 1 4  40 2  o 19.93887 6.643983 -4.575181      6.956288      -4.207495      9.663282      -4.943576      10.01042      19.91906 9.364843 19.95868 9.427075 -0.3961945E-01 13.28797 
1 1 1 4  40 3  o 28.63709 8.197235 11.00934       7.297054      11.75322       10.42133      10.27255       10.21588      29.18158 11.71278 28.09260 11.47124 1.088980       16.39447 
1 1 1 4  40 4  f 28.22264 8.612948 10.20879       8.869816      10.42841       12.70963      9.989170       12.37665      28.37107 12.25299 28.07421 12.10768 0.2968597      17.22590 
1 1 1 4  40 5  f 19.93735 6.618443 -4.471039      6.826642      2.646776       10.00334      -11.59027      9.294888      23.05025 10.36446 16.82445 8.233662 6.225807       13.23689 
1 1 1 4  40 6  o 37.69801 7.829229 20.73638       6.777050      15.52218       10.41424      25.94350       8.671450      31.55653 11.97207 43.83949 10.09242 -12.28295      15.65846 
1 1 1 4  40 7  o 23.33934 7.082220 5.056221       5.935409      4.643901       8.395153      5.467831       8.395153      23.05965 9.958732 23.61903 10.07249 -0.5593834     14.16444 
1 1 1 4  40 8  o 22.23241 6.885553 3.333266       5.970123      6.852854       8.494337      -0.1861811     8.388069      24.41544 10.25890 20.04937 9.186858 4.366066       13.77111 
1 1 1 4  40 9  o 22.18931 6.789098 3.619480       5.773174      8.473083       8.154280      -1.233415      8.168448      25.24726 10.26891 19.13136 8.883515 6.115902       13.57820 
1 1 1 4  40 10 o 26.13077 7.256722 9.656199       5.654153      12.42624       7.941744      6.884026       8.048012      28.51276 10.53509 23.74877 9.982583 4.763988       14.51344 
1 1 1 4  40 11 o 16.84425 5.653316 -7.849646      5.467831      -18.95817      7.608772      3.261003       7.849646      12.68648 6.398403 21.00202 9.322035 -8.315545      11.30663 
1 1 1 4  40 12 o 16.84928 5.657999 -3.632232      5.202161      -1.179572      7.226208      -6.084892      7.488335      17.77496 8.292861 15.92361 7.699367 1.851353       11.31600 
1 1 1 4  40 13 o 18.38701 5.893769 -1.831348      5.137692      -11.74613      7.022882      8.083434       7.502505      13.40645 6.669358 23.36758 9.719349 -9.961135      11.78754 
1 1 1 4  41 0  o 20.40979 11.95649 8.182618       8.033843      8.182618       8.033843      8.182618       8.033843      20.40979 11.95649 20.40979 11.95649 -0.000000      0.000000 
1 1 1 4  41 1  o 24.04677 7.111639 6.531217       6.057263      -0.6278300     7.941744      13.68729       9.153197      19.05347 8.813507 29.04008 11.16350 -9.986603      14.22328 
1 1 1 4  41 2  o 22.09792 6.629995 2.915279       5.656987      -5.071806      8.076350      10.90307       7.927575      17.20518 8.243162 26.99064 10.38641 -9.785460      13.25999 
1 1 1 4  41 3  o 22.78149 6.927426 5.577641       5.721456      6.851437       7.934660      4.303844       8.246379      23.58978 9.913719 21.97319 9.678590 1.616594       13.85485 
1 1 1 4  41 4  o 40.10290 7.476797 24.45576       6.303096      29.12445       8.458915      19.77997       9.344479      45.92361 9.528776 34.28218 11.52443 11.64143       14.95359 
1 1 1 4  41 5  o 16.88449 5.680427 -6.647403      5.469248      2.405902       7.913406      -15.69929      7.552096      20.46046 9.208166 13.30852 6.654222 7.151946       11.36085 
1 1 1 4  41 6  o 21.64396 6.663295 4.345644       5.528049      0.5221289      7.622942      8.168448       8.005506      19.07875 8.748692 24.20916 10.05278 -5.130415      13.32659 
1 1 1 4  41 7  o 18.67673 6.225009 -1.562136      6.115356      -1.577014      8.806056      -1.546550      8.487252      18.79041 8.864943 18.56305 8.741610 0.2273598      12.45002 
1 1 1 4  41 8  o 20.37807 6.572281 2.466829       6.046636      -1.438157      8.501422      6.371107       8.600604      18.37205 8.682308 22.38409 9.868996 -4.012035      13.14456 
1 1 1 5  0  1  o 405.1522 4.242290 1642.191       34.36700      1642.191       34.36700      1642.191       34.36700      405.1522 4.242290 405.1522 4.242290 -0.000000      0.000000 
1 1 1 5  0  2  o 456.4342 4.746833 2084.265       43.32183      2084.265       43.32183      2084.265       43.32183      456.4342 4.746833 456.4342 4.746833 0.000000       0.000000 
1 1 1 5  0  3  o 318.2255 3.391454 1013.086       21.57944      1013.086       21.57944      1013.086       21.57944      318.2255 3.391454 318.2255 3.391454 0.000000       0.000000 
1 1 1 5  0  4  o 160.7009 1.989143 258.3723       6.390944      258.3723       6.390944      258.3723       6.390944      160.7009 1.989143 160.7009 1.989143 0.000000       0.000000 
1 1 1 5  0  5  o 638.5609 6.569509 4079.974       83.88069      4079.974       83.88069      4079.974       83.88069      638.5609 6.569509 638.5609 6.569509 0.000000       0.000000 
1 1 1 5  0  6  o 19.56113 4.720381 4.432783       1.599684      4.432783       1.599684      4.432783       1.599684      19.56113 4.720381 19.56113 4.720381 0.000000       0.000000 
1 1 1 5  0  7  o 685.1414 7.043365 4697.744       96.49113      4697.744       96.49113      4697.744       96.49113      685.1414 7.043365 685.1414 7.043365 -0.000000      0.000000 
1 1 1 5  0  8  o 17.99838 5.523886 4.033925       1.734290      4.033925       1.734290      4.033925       1.734290      17.99838 5.523886 17.99838 5.523886 0.000000       0.000000 
1 1 1 5  0  9  o 195.7796 2.307588 383.4850       9.032760      383.4850       9.032760      383.4850       9.032760      195.7796 2.307588 195.7796 2.307588 0.000000       0.000000 
1 1 1 5  0  10 o 199.9478 2.362271 399.9919       9.443663      399.9919       9.443663      399.9919       9.443663      199.9478 2.362271 199.9478 2.362271 0.000000       0.000000 
1 1 1 5  0  11 o 99.93069 1.789235 99.96254       3.573431      99.96254       3.573431      99.96254       3.573431      99.93069 1.789235 99.93069 1.789235 -0.000000      0.000000 
1 1 1 5  0  12 o 291.6160 3.179718 850.8506       18.54018      850.8506       18.54018      850.8506       18.54018      291.6160 3.179718 291.6160 3.179718 0.000000       0.000000 
1 1 1 5  0  13 o 82.79728 1.871714 68.66315       3.095934      68.66315       3.095934      68.66315       3.095934      82.79728 1.871714 82.79728 1.871714 0.000000       0.000000 
1 1 1 5  0  14 o 246.8365 3.231569 609.6935       15.94725      609.6935       15.94725      609.6935       15.94725      246.8365 3.231569 246.8365 3.231569 0.000000       0.000000 
1 1 1 5  0  15 o 15.26859 6.835698 3.375773       2.208244      3.375773       2.208244      3.375773       2.208244      15.26859 6.835698 15.26859 6.835698 0.000000       0.000000 
1 1 1 5  0  16 o 897.5643 10.63923 8069.266       190.9278      8069.266       190.9278      8069.266       190.9278      897.5643 10.63923 897.5643 10.63923 0.000000       0.000000 
1 1 1 5  0  17 o 64.29593 3.443203 41.69947       4.400903      41.69947       4.400903      41.69947       4.400903      64.29593 3.443203 64.29593 3.443203 0.000000       0.000000 
1 1 1 5  0  18 o 251.9335 3.349082 635.1270       16.86824      635.1270       16.86824      635.1270       16.86824      251.9335 3.349082 251.9335 3.349082 0.000000       0.000000 
1 1 1 5  0  19 o 418.7544 5.143988 1754.835       43.06678      1754.835       43.06678      1754.835       43.06678      418.7544 5.143988 418.7544 5.143988 -0.000000      0.000000 
1 1 1 5  0  20 o 374.4229 4.035991 1402.734       30.21547      1402.734       30.21547      1402.734       30.21547      374.4229 4.035991 374.4229 4.035991 0.000000       0.000000 
1 1 1 5  0  21 o 100.5835 3.348483 101.5211       6.719665      101.5211       6.719665      101.5211       6.719665      100.5835 3.348483 100.5835 3.348483 0.000000       0.000000 
1 1 1 5  0  22 o 292.0957 3.383252 853.6844       19.75872      853.6844       19.75872      853.6844       19.75872      292.0957 3.383252 292.0957 3.383252 -0.000000      0.000000 
1 1 1 5  0  23 o 260.5338 3.104992 679.1927       16.17395      679.1927       16.17395      679.1927       16.17395      260.5338 3.104992 260.5338 3.104992 0.000000       0.000000 
1 1 1 5  0  24 o 123.1220 3.337025 151.9629       8.203872      151.9629       8.203872      151.9629       8.203872      123.1220 3.337025 123.1220 3.337025 -0.000000      0.000000 
1 1 1 5  0  25 o 374.9031 4.734429 1406.985       35.48635      1406.985       35.48635      1406.985       35.48635      374.9031 4.734429 374.9031 4.734429 0.000000       0.000000 
1 1 1 5  0  26 o 679.8127 8.172933 4635.400       111.0852      4635.400       111.0852      4635.400       111.0852      679.8127 8.172933 679.8127 8.172933 -0.000000      0.000000 
1 1 1 5  0  27 o 152.5320 2.898249 233.0098       8.834394      233.0098       8.834394      233.0098       8.834394      152.5320 2.898249 152.5320 2.898249 -0.000000      0.000000 
1 1 1 5  0  28 o 225.7679 3.972274 510.6521       17.92383      510.6521       17.92383      510.6521       17.92383      225.7679 3.972274 225.7679 3.972274 -0.000000      0.000000 
1 1 1 5  0  29 o 178.4644 2.951298 318.9450       10.52759      318.9450       10.52759      318.9450       10.52759      178.4644 2.951298 178.4644 2.951298 -0.000000      0.000000 
1 1 1 5  0  30 o 352.3093 3.885075 1243.333       27.36749      1243.333       27.36749      1243.333       27.36749      352.3093 3.885075 352.3093 3.885075 -0.000000      0.000000 
1 1 1 5  0  31 o 268.3453 3.154548 721.2039       16.92491      721.2039       16.92491      721.2039       16.92491      268.3453 3.154548 268.3453 3.154548 0.000000       0.000000 
1 1 1 5  0  32 o 58.07025 3.163674 34.06236       3.651361      34.06236       3.651361      34.06236       3.651361      58.07025 3.163674 58.07025 3.163674 0.000000       0.000000 
1 1 1 5  0  33 o 48.94255 3.566197 24.37783       3.453702      24.37783       3.453702      24.37783       3.453702      48.94255 3.566197 48.94255 3.566197 -0.000000      0.000000 
1 1 1 5  0  34 o 211.7054 2.750110 449.0168       11.63986      449.0168       11.63986      449.0168       11.63986      211.7054 2.750110 211.7054 2.750110 0.000000       0.000000 
1 1 1 5  0  35 o 112.9049 2.476477 127.8047       5.586143      127.8047       5.586143      127.8047       5.586143      112.9049 2.476477 112.9049 2.476477 -0.000000      0.000000 
1 1 1 5  0  36 o 63.96982 3.382274 41.35941       4.301719      41.35941       4.301719      41.35941       4.301719      63.96982 3.382274 63.96982 3.382274 -0.000000      0.000000 
1 1 1 5  0  37 o 120.3869 2.693525 145.4451       6.478083      145.4451       6.478083      145.4451       6.478083      120.3869 2.693525 120.3869 2.693525 -0.000000      0.000000 
1 1 1 5  0  38 o 97.77447 2.610059 95.99522       5.095893      95.99522       5.095893      95.99522       5.095893      97.77447 2.610059 97.77447 2.610059 0.000000       0.000000 
1 1 1 5  0  39 o 79.26684 2.721810 63.22224       4.303844      63.22224       4.303844      63.22224       4.303844      79.26684 2.721810 79.26684 2.721810 0.000000       0.000000 
1 1 1 5  0  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  41 o 73.79746 2.742320 54.91918       4.035341      54.91918       4.035341      54.91918       4.035341      73.79746 2.742320 73.79746 2.742320 -0.000000      0.000000 
1 1 1 5  0  42 o 7.768302 5.423409 -2.315221      2.925197      -2.315221      2.925197      -2.315221      2.925197      7.768302 5.423409 7.768302 5.423409 -0.000000      0.000000 
1 1 1 5  0  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  0  45 o 11.46589 6.577283 1.922738       2.357019      1.922738       2.357019      1.922738       2.357019      11.46589 6.577283 11.46589 6.577283 0.000000       0.000000 
1 1 1 5  0  46 o 85.09079 2.187904 73.25391       3.717955      73.25391       3.717955      73.25391       3.717955      85.09079 2.187904 85.09079 2.187904 0.000000       0.000000 
1 1 1 5  1  0  o 29.06761 2.595861 8.650196       1.486332      8.650196       1.486332      8.650196       1.486332      29.06761 2.595861 29.06761 2.595861 -0.000000      0.000000 
1 1 1 5  1  1  o 617.7390 4.494608 3817.847       55.53553      3784.550       77.85885      3851.144       79.20491      615.0464 6.329511 620.4317 6.383048 -5.385315      8.989216 
1 1 1 5  1  2  o 515.2435 3.770419 2655.277       38.85858      2667.321       55.14588      2643.942       54.74915      516.3773 5.339689 514.1098 5.324656 2.267456       7.540838 
1 1 1 5  1  3  o 139.0110 1.398815 193.3365       3.903569      201.5545       6.070724      185.1185       4.909571      141.9662 2.138088 136.0557 1.804250 5.910477       2.797631 
1 1 1 5  1  4  o 316.5949 2.392845 1002.459       15.14670      1005.293       21.48026      999.6255       21.37399      317.0424 3.387601 316.1475 3.380383 0.8948669      4.785690 
1 1 1 5  1  5  o 933.0808 6.954806 8721.042       129.5050      8869.816       162.0229      8565.182       202.1213      941.3643 8.605750 924.7972 10.92787 16.56708       13.90961 
1 1 1 5  1  6  o 493.8492 3.755177 2440.616       37.22206      2377.564       44.16489      2502.960       59.92794      487.5310 4.529444 500.1673 5.990789 -12.63629      7.510354 
1 1 1 5  1  7  o 366.9772 2.834339 1347.475       20.81431      1342.516       25.37674      1351.726       32.99260      366.3636 3.463328 367.5908 4.487680 -1.227234      5.668678 
1 1 1 5  1  8  o 685.7704 5.386509 4709.079       73.82067      4741.668       97.48296      4677.199       110.9436      688.1822 7.082642 683.3587 8.117519 4.823486       10.77302 
1 1 1 5  1  9  o 698.8065 5.080789 4890.443       70.98687      4878.399       100.1751      4902.486       100.6710      697.9473 7.176408 699.6657 7.194222 -1.718445      10.16158 
1 1 1 5  1  10 o 456.4711 3.648726 2085.682       33.31849      2094.892       50.61179      2075.764       43.35725      457.4908 5.531455 455.4514 4.759811 2.039459       7.297451 
1 1 1 5  1  11 o 422.1399 3.228474 1783.173       27.17621      1735.707       42.15288      1831.348       34.31032      416.4474 5.061008 427.8324 4.009785 -11.38495      6.456949 
1 1 1 5  1  12 o 601.6616 4.544178 3625.148       54.66414      3625.148       86.50197      3625.148       66.90618      601.5534 7.189882 601.7698 5.559118 -0.2164307     9.088355 
1 1 1 5  1  13 o 678.7268 5.115621 4615.563       69.48495      4641.068       110.3768      4589.351       84.44745      680.4684 8.110354 676.9852 6.237023 3.483154       10.23124 
1 1 1 5  1  14 o 265.3320 2.257820 704.1302       11.96575      689.5361       17.82465      719.0786       15.96850      262.5440 3.394602 268.1201 2.977864 -5.576080      4.515639 
1 1 1 5  1  15 o 161.5786 1.774366 261.1353       5.770339      268.5741       9.889987      253.7674       5.948870      163.8635 3.017752 159.2938 1.867263 4.569702       3.548732 
1 1 1 5  1  16 o 501.6827 4.284159 2519.255       42.98885      2550.426       61.56446      2487.374       60.02004      504.8198 6.097667 498.5456 6.019513 6.274200       8.568318 
1 1 1 5  1  17 o 499.3308 4.514440 2495.876       45.03628      2476.039       73.25391      2515.004       52.36876      497.3097 7.365019 501.3519 5.222754 -4.042175      9.028880 
1 1 1 5  1  18 o 453.4050 3.489839 2057.344       31.67488      2072.221       50.42760      2041.758       38.34849      455.0493 5.540894 451.7607 4.244337 3.288605       6.979677 
1 1 1 5  1  19 o 809.1431 6.365696 6558.847       103.0797      6611.272       156.9929      6505.713       133.6140      812.2932 9.663562 805.9929 8.288783 6.300293       12.73139 
1 1 1 5  1  20 o 173.6175 1.951251 301.5171       6.750837      296.3454       11.36357      306.6888       7.289969      172.1204 3.301051 175.1146 2.081485 -2.994186      3.902501 
1 1 1 5  1  21 o 906.4056 6.806235 8232.210       123.2706      8168.449       193.7616      8303.056       152.3880      902.4345 10.73549 910.3767 8.369501 -7.942200      13.61247 
1 1 1 5  1  22 o 401.0416 3.634655 1609.602       29.18822      1618.104       49.53495      1601.101       30.87433      402.0329 6.160560 400.0502 3.858806 1.982635       7.269311 
1 1 1 5  1  23 o 170.9958 1.941287 292.4489       6.645278      294.7159       10.42133      290.2527       8.246379      171.6426 3.035763 170.3489 2.420438 1.293686       3.882573 
1 1 1 5  1  24 o 187.7258 1.887612 352.5256       7.084518      352.6673       11.46275      352.3839       8.338477      187.7540 3.052598 187.6976 2.221254 0.5647278E-01  3.775224 
1 1 1 5  1  25 o 80.33704 2.107718 64.57539       3.377898      63.31433       5.350936      65.83643       4.123189      79.54762 3.363354 81.12644 2.541212 -1.578819      4.215437 
1 1 1 5  1  26 o 74.29167 2.101481 55.25216       3.144109      57.41294       5.227666      53.09137       3.494792      75.73595 3.451245 72.84739 2.398708 2.888557       4.202962 
1 1 1 5  1  27 o 163.4221 1.800846 267.2989       5.901403      272.0455       9.606606      262.4814       6.859938      164.8678 2.913427 161.9763 2.117575 2.891479       3.601691 
1 1 1 5  1  28 o 194.5157 1.919169 378.7383       7.495420      387.2397       12.19954      370.2369       8.699788      196.6735 3.101470 192.3579 2.261354 4.315613       3.838338 
1 1 1 5  1  29 o 123.7071 1.752522 153.1673       4.327223      151.4670       7.064682      154.8676       5.000253      123.0027 2.871758 124.4115 2.009562 -1.408791      3.505044 
1 1 1 5  1  30 o 213.2037 2.009335 455.2511       8.572267      456.8097       13.79356      453.6217       10.18045      213.5321 3.229855 212.8752 2.391179 0.6568909      4.018669 
1 1 1 5  1  31 o 223.2664 2.164238 499.6003       9.649114      492.7282       14.74288      506.4014       12.46167      221.6958 3.325025 224.8370 2.771267 -3.141220      4.328477 
1 1 1 5  1  32 o 50.15991 2.612398 25.36257       2.675822      28.77023       4.478832      21.95492       2.928740      53.52095 4.184186 46.79887 3.129071 6.722084       5.224796 
1 1 1 5  1  33 o 114.7151 1.798037 131.9137       4.155778      137.6522       6.891110      126.1753       4.647444      117.1742 2.940540 112.2561 2.070019 4.918198       3.596075 
1 1 1 5  1  34 f 33.46114 4.102880 11.55485       2.621272      10.44966       4.400903      12.66712       2.847268      31.43252 7.158436 35.48976 4.011393 -4.057238      8.205759 
1 1 1 5  1  35 f 78.21161 2.234863 61.42277       3.475665      58.98569       5.508212      63.85985       4.240084      76.61652 3.594664 79.80670 2.656471 -3.190178      4.469726 
1 1 1 5  1  36 o 48.27431 3.453256 23.72605       3.205745      19.38324       5.134858      28.06886       3.839809      43.71360 5.873297 52.83501 3.633773 -9.121418      6.906513 
1 1 1 5  1  37 o 102.1918 1.930939 104.9217       3.954578      109.4558       5.941785      100.3876       5.220581      104.3824 2.846164 100.0012 2.610260 4.381172       3.861878 
1 1 1 5  1  38 o 244.0193 2.131501 598.7126       10.40007      597.2957       15.01209      600.0587       14.40283      243.7089 3.079922 244.3297 2.947415 -0.6208038     4.263001 
1 1 1 5  1  39 o 54.56469 2.373775 30.01710       2.590100      30.01002       3.840517      30.02419       3.477082      54.53604 3.521082 54.59334 3.184529 -0.5729675E-01 4.747551 
1 1 1 5  1  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  41 o 49.12109 2.438245 24.53369       2.356311      21.77072       3.642859      27.28956       2.990375      46.24905 3.938307 51.99311 2.875742 -5.744061      4.876490 
1 1 1 5  1  42 o 54.78486 2.109255 30.48468       2.333640      32.88633       3.775340      28.07594       2.743834      56.86045 3.319829 52.70927 2.602800 4.151180       4.218511 
1 1 1 5  1  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  1  45 o 108.4397 2.042019 120.7910       4.436325      114.4150       5.933284      127.0962       6.597104      105.6665 2.807551 111.2129 2.965979 -5.546379      4.084039 
1 1 1 5  1  46 o 83.59865 2.571520 73.67899       4.284717      75.94603       5.615897      71.41194       6.473125      85.27220 3.292924 81.92510 3.950635 3.347099       5.143041 
1 1 1 5  2  0  o 40.89675 2.924707 16.98159       2.367646      16.98159       2.367646      16.98159       2.367646      40.89675 2.924707 40.89675 2.924707 -0.000000      0.000000 
1 1 1 5  2  1  o 81.94916 1.246387 67.28875       2.031132      73.67899       2.801218      60.94102       2.942200      85.83516 1.631743 78.06316 1.884500 7.772003       2.492774 
1 1 1 5  2  2  o 655.0621 4.904871 4294.635       64.07238      4416.488       81.18858      4172.073       99.11240      664.4252 6.109685 645.6989 7.674816 18.72632       9.809743 
1 1 1 5  2  3  o 250.9902 2.123203 630.0262       10.65512      629.9553       13.94233      630.0970       16.12436      250.9780 2.777601 251.0024 3.211993 -0.2447510E-01 4.246407 
1 1 1 5  2  4  o 999.1913 7.224540 9996.255       144.3825      9967.917       203.6090      10024.59       204.7426      997.7767 10.20314 1000.606 10.23093 -2.829224      14.44908 
1 1 1 5  2  5  o 538.1825 3.937834 2897.568       42.38667      2901.819       60.00587      2893.317       59.87834      538.5771 5.570777 537.7878 5.567098 0.7893677      7.875668 
1 1 1 5  2  6  o 444.1344 3.283802 1973.747       29.17405      1934.782       40.43843      2012.003       42.06786      439.7906 4.597464 448.4783 4.690068 -8.687714      6.567604 
1 1 1 5  2  7  o 372.4800 2.784946 1387.857       20.75055      1377.230       29.11737      1398.484       29.56369      371.0544 3.923599 373.9056 3.953363 -2.851257      5.569893 
1 1 1 5  2  8  o 362.4457 2.721419 1314.178       19.73038      1304.968       27.72172      1323.388       28.07594      361.1761 3.837701 363.7154 3.859604 -2.539276      5.442839 
1 1 1 5  2  9  o 550.6494 4.035618 3035.008       44.44827      3051.302       63.16556      3018.713       62.54212      552.1265 5.720208 549.1724 5.694216 2.954041       8.071237 
1 1 1 5  2  10 f 588.1372 4.297122 3462.912       50.56220      3459.370       71.41194      3466.455       71.55363      587.8367 6.074131 588.4377 6.079967 -0.6010132     8.594245 
1 1 1 5  2  11 o 376.6023 2.824981 1419.029       21.27481      1416.195       30.03127      1421.863       30.15171      376.2264 3.991117 376.9781 3.999132 -0.7516785     5.649962 
1 1 1 5  2  12 o 435.9389 3.234500 1901.485       28.20346      1889.441       39.62371      1914.237       40.14088      434.5190 4.559491 437.3588 4.589010 -2.839813      6.469001 
1 1 1 5  2  13 o 120.0117 1.484582 144.2408       3.545093      133.7557       5.224123      154.7259       4.794094      115.6426 2.258737 124.3808 1.927183 -8.738266      2.969163 
1 1 1 5  2  14 o 134.7037 1.737317 182.1430       4.595018      160.2518       7.176617      204.0341       5.739168      126.5754 2.834917 142.8319 2.009063 -16.25648      3.474635 
1 1 1 5  2  15 o 312.7941 2.499421 978.3719       15.65678      988.2903       25.05086      969.1620       18.78814      314.3094 3.985063 311.2788 3.017896 3.030640       4.998842 
1 1 1 5  2  16 o 200.3704 2.283297 401.8339       9.110690      381.2179       13.76522      422.4498       11.93033      195.2228 3.525514 205.5179 2.902503 -10.29504      4.566593 
1 1 1 5  2  17 o 739.0182 6.398600 5471.373       94.93254      5566.306       162.0938      5377.149       98.82903      745.1111 10.87715 732.9254 6.742094 12.18573       12.79720 
1 1 1 5  2  18 o 294.8530 2.395948 869.2704       14.11944      864.3112       22.37999      874.9379       17.21538      293.9418 3.806875 295.7642 2.910322 -1.822357      4.791896 
1 1 1 5  2  19 o 552.7811 4.409372 3058.386       48.79816      3099.477       74.74166      3017.296       62.76883      556.4574 6.715848 549.1047 5.715560 7.352661       8.818744 
1 1 1 5  2  20 o 231.1073 2.392230 534.3143       11.03059      525.6004       17.83882      543.0283       12.97175      229.2106 3.891360 233.0041 2.783589 -3.793503      4.784460 
1 1 1 5  2  21 o 766.8450 5.788511 5890.777       88.69817      5862.438       139.9901      5919.115       109.0307      764.8341 9.151662 768.8560 7.090452 -4.021851      11.57702 
1 1 1 5  2  22 o 632.2728 4.827562 4003.461       61.13231      4050.219       97.69550      3956.703       73.53729      635.8469 7.682314 628.6987 5.848374 7.148193       9.655124 
1 1 1 5  2  23 o 293.4903 2.472163 862.1858       14.54451      875.6464       23.50643      848.0168       17.13745      295.8224 3.973064 291.1582 2.942978 4.664185       4.944326 
1 1 1 5  2  24 o 274.9977 2.348114 756.6265       12.92216      758.7519       20.73638      754.5012       15.41591      275.3639 3.765269 274.6316 2.806653 0.7322693      4.696228 
1 1 1 5  2  25 o 261.4289 2.261580 683.7976       11.84531      691.7323       19.09986      675.9338       14.01318      262.9190 3.632271 259.9388 2.695476 2.980225       4.523161 
1 1 1 5  2  26 o 168.4239 1.827566 284.2308       6.236501      305.7678       10.44258      262.6939       6.827350      174.7986 2.987031 162.0491 2.106569 12.74957       3.655131 
1 1 1 5  2  27 o 166.3047 1.881048 276.9338       6.295302      290.3235       10.11669      263.5441       7.495420      170.3128 2.970032 162.2966 2.309173 8.016205       3.762097 
1 1 1 5  2  28 o 331.2885 2.716150 1099.517       18.03718      1117.937       29.09612      1081.097       21.33148      333.9811 4.355952 328.5958 3.245855 5.385345       5.432301 
1 1 1 5  2  29 f 180.0632 2.095177 324.6126       7.545012      318.6616       10.66928      330.6344       10.66928      178.4009 2.990255 181.7255 2.935549 -3.324615      4.190354 
1 1 1 5  2  30 o 217.9239 2.049476 475.6545       8.947746      481.3221       14.56577      469.9869       10.40007      219.1698 3.322941 216.6780 2.399891 2.491867       4.098953 
1 1 1 5  2  31 o 224.5114 2.081105 505.1970       9.394071      521.7747       15.43008      488.6192       10.71888      228.1246 3.381942 220.8981 2.426203 7.226456       4.162210 
1 1 1 5  2  32 o 177.7853 1.867060 316.6779       6.663697      323.8333       10.94558      309.5226       7.601687      179.7423 3.044798 175.8283 2.161680 3.914017       3.734121 
1 1 1 5  2  33 o 146.6885 1.774932 215.5819       5.197202      213.6691       8.508506      217.4947       5.975791      145.9901 2.914071 147.3870 2.027245 -1.396942      3.549863 
1 1 1 5  2  34 o 128.9625 1.764436 166.6987       4.564555      169.6742       7.573349      163.7232       5.099436      130.0617 2.911445 127.8633 1.994097 2.198372       3.528872 
1 1 1 5  2  35 o 107.8747 1.861109 116.6820       4.003461      115.0526       6.679992      118.3115       4.413655      107.0638 3.119632 108.6855 2.030470 -1.621750      3.722219 
1 1 1 5  2  36 o 126.0811 1.912279 159.4725       4.853603      164.9984       8.203872      154.0174       5.192952      128.1737 3.200294 123.9885 2.094126 4.185188       3.824558 
1 1 1 5  2  37 o 197.1688 2.120849 390.7820       8.388069      400.4878       13.55977      381.0762       9.889987      199.4772 3.398827 194.8604 2.537711 4.616806       4.241698 
1 1 1 5  2  38 o 48.18050 2.747745 23.62687       2.731790      27.91300       4.677907      19.34073       2.823180      52.51969 4.453479 43.84131 3.219772 8.678383       5.495490 
1 1 1 5  2  39 o 39.92359 3.261202 16.28731       2.471788      13.58102       4.255670      18.99359       2.513587      36.39875 5.845901 43.44843 2.892610 -7.049671      6.522403 
1 1 1 5  2  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  41 o 19.39665 5.567140 2.112603       3.450869      2.309553       3.784549      1.915654       5.771757      18.19480 7.140021 20.59851 8.543553 -2.403704      11.13428 
1 1 1 5  2  42 o 77.01350 2.666822 60.67890       4.145860      57.67506       4.188367      63.68273       7.155363      75.49081 2.774091 78.53619 4.555457 -3.045372      5.333644 
1 1 1 5  2  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  2  45 o 99.83437 3.007589 105.2759       5.958787      106.1969       6.310889      104.4258       10.10961      101.5127 3.108422 98.15600 5.149765 3.356735       6.015179 
1 1 1 5  2  46 o 31.01112 6.762916 14.52326       4.842268      21.01268       7.814223      8.040927       5.720748      37.68476 10.14270 24.33748 8.948392 13.34727       13.52583 
1 1 1 5  3  0  o 804.0097 8.249497 6468.874       132.6222      6468.874       132.6222      6468.874       132.6222      804.0097 8.249497 804.0097 8.249497 -0.000000      0.000000 
1 1 1 5  3  1  o 480.3369 3.661169 2308.136       35.25965      2349.935       56.47069      2266.337       42.23081      484.6669 5.825722 476.0070 4.435945 8.659973       7.322338 
1 1 1 5  3  2  o 521.6460 3.960787 2722.580       41.38775      2753.752       66.01354      2690.700       49.93168      524.6420 6.291294 518.6501 4.813620 5.991882       7.921573 
1 1 1 5  3  3  o 598.7781 4.504250 3587.600       53.79274      3500.460       83.52647      3674.740       67.81301      591.4723 7.060894 606.0839 5.594357 -14.61163      9.008500 
1 1 1 5  3  4  o 507.0486 4.027154 2571.680       40.84225      2578.765       61.88326      2565.304       53.33225      507.6971 6.094507 506.4002 5.265820 1.296844       8.054308 
1 1 1 5  3  5  o 647.9724 4.721659 4201.119       61.18898      4151.528       85.51013      4251.419       87.56464      644.1232 6.637715 651.8215 6.716918 -7.698303      9.443318 
1 1 1 5  3  6  o 645.9335 4.709427 4175.615       60.83475      4223.081       86.99788      4128.149       85.08506      649.6022 6.696242 642.2648 6.623831 7.337463       9.418854 
1 1 1 5  3  7  o 413.7139 3.078305 1712.328       25.46884      1722.955       36.20897      1701.701       35.83349      414.9973 4.362556 412.4305 4.344186 2.566833       6.156610 
1 1 1 5  3  8  f 464.5770 3.430577 2159.361       31.87325      2174.239       45.36217      2145.192       44.79541      466.1382 4.865742 463.0158 4.837352 3.122406       6.861153 
1 1 1 5  3  9  o 289.3259 2.426480 837.3900       14.03443      832.4308       21.16854      842.3492       18.43391      288.4620 3.669208 290.1897 3.176183 -1.727722      4.852961 
1 1 1 5  3  10 o 583.1520 4.268574 3404.819       49.80416      3336.808       69.05280      3472.831       71.76617      577.3333 5.980324 588.9707 6.092507 -11.63745      8.537148 
1 1 1 5  3  11 f 434.8104 3.230520 1892.275       28.09720      1900.068       39.88583      1883.773       39.57412      435.7461 4.576729 433.8748 4.560546 1.871368       6.461040 
1 1 1 5  3  12 o 519.6644 3.824767 2703.452       39.75831      2743.125       57.03745      2663.779       55.40093      523.4738 5.447976 515.8551 5.369815 7.618713       7.649533 
1 1 1 5  3  13 o 318.3352 2.441911 1013.794       15.54343      1006.710       21.82740      1020.879       22.14620      317.2234 3.440383 319.4471 3.466334 -2.223633      4.883821 
1 1 1 5  3  14 o 144.2180 1.436963 208.1431       4.147277      197.7289       5.672574      218.5574       6.052303      140.6079 2.017160 147.8280 2.047076 -7.220078      2.873927 
1 1 1 5  3  15 o 330.6241 2.619207 1093.849       17.30039      1084.640       27.31790      1102.351       21.23938      329.2716 4.148232 331.9765 3.198929 -2.704895      5.238413 
1 1 1 5  3  16 o 342.7075 3.143010 1175.322       21.57236      1181.698       36.81115      1168.237       22.49334      343.6579 5.355785 341.7571 3.290838 1.900757       6.286019 
1 1 1 5  3  17 o 319.2941 2.564264 1019.462       16.35815      1010.252       25.85140      1029.380       20.04210      317.7845 4.067443 320.8037 3.123733 -3.019257      5.128528 
1 1 1 5  3  18 o 329.5375 2.745684 1086.057       18.07261      1066.220       27.23289      1106.602       23.76147      326.4664 4.170856 332.6086 3.571987 -6.142151      5.491369 
1 1 1 5  3  19 o 270.0103 2.354192 729.7053       12.68837      711.2856       19.16362      747.4167       16.63445      266.6602 3.593266 273.3604 3.042585 -6.700226      4.708385 
1 1 1 5  3  20 o 555.3049 4.435523 3087.433       49.26574      3083.182       74.67081      3090.975       64.25658      554.9080 6.728217 555.7020 5.781569 -0.7940063     8.871045 
1 1 1 5  3  21 o 402.8932 3.189663 1624.480       25.66721      1606.769       40.58720      1641.483       31.42692      400.7127 5.064376 405.0736 3.879162 -4.360870      6.379326 
1 1 1 5  3  22 o 238.6577 2.889768 571.4372       13.60936      511.7147       20.92058      631.1597       17.40666      226.1344 4.625697 251.1811 3.464963 -25.04669      5.779536 
1 1 1 5  3  23 f 120.9202 1.864499 146.2244       4.505045      145.0909       7.304138      147.4288       5.269464      120.4316 3.032484 121.4089 2.170132 -0.9772568     3.728999 
1 1 1 5  3  24 o 698.6767 5.299847 4894.694       74.03321      4872.023       116.8237      4916.655       90.89436      696.8542 8.382219 700.4991 6.487828 -3.644897      10.59969 
1 1 1 5  3  25 o 283.9660 2.394744 806.9266       13.56685      792.0491       21.50151      821.8041       16.54943      281.3243 3.821481 286.6077 2.887123 -5.283356      4.789488 
1 1 1 5  3  26 o 398.5538 3.160119 1591.183       25.18546      1588.349       40.04170      1594.017       30.54844      398.1078 5.029001 398.9998 3.828128 -0.8919373     6.320239 
1 1 1 5  3  27 o 439.1642 3.446161 1933.365       30.28631      1941.158       48.28807      1925.572       36.55611      439.9061 5.488453 438.4224 4.169052 1.483673       6.892322 
1 1 1 5  3  28 o 400.9220 3.187702 1611.019       25.59636      1628.731       41.06895      1594.017       30.56261      402.9453 5.096096 398.8988 3.830873 4.046478       6.375404 
1 1 1 5  3  29 o 182.7990 2.507646 334.7435       9.202788      341.1904       15.31673      328.3674       10.19462      184.4898 4.151104 181.1082 2.814512 3.381622       5.015291 
1 1 1 5  3  30 o 20.43859 4.338832 3.512504       2.218871      0.8692704      3.647110      6.155738       2.528464      16.60809 6.829895 24.26910 5.352980 -7.661011      8.677665 
1 1 1 5  3  31 o 90.13727 1.770902 81.40111       3.193701      81.61364       5.165322      81.11773       3.757628      90.25461 2.861528 90.01992 2.087109 0.2346878      3.541803 
1 1 1 5  3  32 f 25.13309 4.319645 6.817431       2.231623      9.131943       3.768963      4.502919       2.391025      29.47904 6.563521 20.78713 5.617609 8.691914       8.639290 
1 1 1 5  3  33 o 67.77914 2.021033 46.07771       2.710536      43.81066       4.514963      48.34475       3.001710      66.07578 3.416504 69.48251 2.160047 -3.406731      4.042067 
1 1 1 5  3  34 o 39.00782 2.838209 15.59302       2.315929      19.74455       4.021172      11.43441       2.298218      44.27106 4.541535 33.74457 3.405315 10.52650       5.676417 
1 1 1 5  3  35 o 110.6948 1.926620 123.0581       4.310221      133.0472       6.997378      113.1397       5.034966      115.1388 3.038670 106.2508 2.369378 8.888008       3.853241 
1 1 1 5  3  36 o 161.3312 2.428341 261.7021       7.828392      268.3615       10.52759      254.9718       11.57610      163.4455 3.220521 159.2168 3.635326 4.228668       4.856681 
1 1 1 5  3  37 o 163.0172 2.400786 267.4406       7.821308      268.7158       10.36465      266.1653       11.72488      163.4721 3.170159 162.5624 3.606269 0.9096222      4.801571 
1 1 1 5  3  38 o 99.02043 2.134778 98.61649       4.225915      96.06606       6.018298      101.1669       5.933992      97.72869 3.079084 100.3122 2.957762 -2.583488      4.269557 
1 1 1 5  3  39 o 104.9953 2.161275 111.0852       4.556762      116.8237       7.054762      105.3468       5.770339      107.6549 3.276565 102.3357 2.819320 5.319183       4.322551 
1 1 1 5  3  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  41 f 100.7523 3.301376 104.0716       6.654488      104.7800       10.20879      103.3631       8.536844      100.8790 5.059919 100.6257 4.241881 0.2533035      6.602753 
1 1 1 5  3  42 o 76.33432 3.825783 60.94811       5.784509      57.61838       9.096521      64.28491       7.148279      73.74590 6.167475 78.92273 4.528656 -5.176826      7.651567 
1 1 1 5  3  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  3  44 o 29.20008 7.088140 11.05893       5.095185      8.069265       7.046970      14.04860       7.360813      25.97148 9.849656 32.42869 10.19565 -6.457212      14.17628 
1 1 1 5  3  45 o 22.05681 6.359536 4.857145       4.434200      4.726790       6.209579      4.986792       6.331434      21.90378 8.943656 22.20983 9.043550 -0.3060513     12.71907 
1 1 1 5  3  46 o 85.34266 3.552526 76.72533       6.063639      76.72533       6.063639      ?              ?             85.34266 3.552526 ?        ?        ?              ?        
1 1 1 5  4  0  o 655.6816 6.765431 4301.719       88.69817      4301.719       88.69817      4301.719       88.69817      655.6816 6.765431 655.6816 6.765431 0.000000       0.000000 
1 1 1 5  4  1  o 417.0663 3.105721 1739.958       25.90808      1768.296       37.22206      1711.620       36.05311      420.4621 4.426328 413.6705 4.357709 6.791565       6.211442 
1 1 1 5  4  2  o 697.6464 5.078423 4870.606       70.84518      4912.405       101.0961      4828.099       99.32494      700.6636 7.214310 694.6292 7.149494 6.034424       10.15685 
1 1 1 5  4  3  o 461.8295 3.417921 2133.148       31.56861      2134.565       44.66788      2132.440       44.62538      461.9445 4.834768 461.7145 4.832573 0.2299805      6.835842 
1 1 1 5  4  4  o 551.6439 3.845686 3044.926       42.47168      3093.101       64.24241      2996.043       55.57804      556.0259 5.776926 547.2619 5.077828 8.764038       7.691372 
1 1 1 5  4  5  o 588.4417 4.456715 3465.038       52.52462      3508.253       83.88069      3421.822       63.27892      592.0607 7.083791 584.8226 5.410095 7.238098       8.913429 
1 1 1 5  4  6  o 337.6258 2.657134 1140.607       17.92383      1132.814       28.28139      1147.692       22.03993      336.5122 4.202135 338.7393 3.253230 -2.227051      5.314268 
1 1 1 5  4  7  f 223.8998 1.996333 501.4422       8.954830      509.1643       13.70854      493.7200       11.51234      225.6203 3.037967 222.1792 2.590778 3.441086       3.992665 
1 1 1 5  4  8  o 415.5160 3.202442 1727.206       26.59528      1717.287       41.91201      1737.832       32.74464      414.2505 5.058776 416.7815 3.928275 -2.530945      6.404885 
1 1 1 5  4  9  o 284.2719 2.220403 808.3435       12.62461      806.9266       17.81048      809.7604       17.89549      284.0229 3.135395 284.5209 3.144847 -0.4980164     4.440807 
1 1 1 5  4  10 f 133.5371 1.480218 178.3882       3.960954      183.8432       6.007671      172.9331       5.163905      135.5782 2.215574 131.4960 1.963522 4.082275       2.960437 
1 1 1 5  4  11 o 173.1078 1.571146 299.8168       5.442327      288.6941       7.467082      310.9395       7.920490      169.8960 2.197545 176.3195 2.246062 -6.423584      3.142292 
1 1 1 5  4  12 o 47.41897 2.022334 22.64212       1.906444      19.00776       2.632607      26.26939       2.758003      43.59084 3.019679 51.24710 2.690887 -7.656258      4.044667 
1 1 1 5  4  13 o 711.6315 5.189731 5073.223       73.89152      5142.651       105.8427      5003.795       103.0797      716.4933 7.386161 706.7697 7.292315 9.723572       10.37946 
1 1 1 5  4  14 o 343.7474 2.624630 1182.406       18.05844      1142.024       24.71788      1222.788       26.32607      337.8777 3.657815 349.6171 3.764986 -11.73947      5.249260 
1 1 1 5  4  15 f 469.0890 3.771050 2201.868       35.39425      2189.824       45.97144      2213.912       53.82816      467.8287 4.913277 470.3492 5.722149 -2.520569      7.542100 
1 1 1 5  4  16 o 546.9865 4.030141 2993.917       44.08695      3002.419       62.52087      2985.416       62.18081      547.7626 5.706931 546.2104 5.692020 1.552246       8.060283 
1 1 1 5  4  17 o 476.4540 3.668786 2271.297       34.90542      2242.250       54.86250      2301.052       43.16597      473.3323 5.795347 479.5757 4.500434 -6.243317      7.337572 
1 1 1 5  4  18 o 390.8076 3.420364 1528.130       26.73697      1547.967       38.68147      1508.294       36.93159      393.3409 4.917041 388.2741 4.755866 5.066803       6.840727 
1 1 1 5  4  19 o 594.5689 4.528599 3538.717       53.87776      3552.886       85.65182      3524.548       65.38302      595.6810 7.189403 593.4568 5.508658 2.224243       9.057199 
1 1 1 5  4  20 o 318.5942 7.527158 0.000000       0.000000      ?              ?             1016.628       47.96218      ?        ?        318.5942 7.527158 ?              ?        
1 1 1 5  4  21 o 281.3264 2.443586 791.3406       13.73688      787.7984       22.16037      795.5914       16.24480      280.6208 3.948455 282.0320 2.879957 -1.411194      4.887171 
1 1 1 5  4  22 o 311.5217 2.616302 971.2875       16.27314      960.6606       25.99310      981.2057       19.59578      309.8532 4.194422 313.1902 3.128414 -3.337067      5.232605 
1 1 1 5  4  23 o 553.6387 5.910101 3075.389       65.48928      2947.160       89.97337      3203.619       95.14508      542.1030 8.298551 565.1745 8.417318 -23.07153      11.82020 
1 1 1 5  4  24 o 75.09241 2.060822 56.52737       3.030048      51.39817       5.078182      61.65656       3.307761      71.67134 3.542687 78.51348 2.106493 -6.842140      4.121643 
1 1 1 5  4  25 o 94.37533 2.581012 89.83168       5.151153      105.5593       9.557014      74.10406       3.844768      102.6791 4.653827 86.07156 2.233472 16.60754       5.162025 
1 1 1 5  4  26 o 234.2803 2.187170 549.4044       10.23713      543.0283       15.93308      555.7095       12.85132      232.9055 3.420503 235.6551 2.726721 -2.749588      4.374341 
1 1 1 5  4  27 o 144.6194 1.764601 209.3475       5.132733      216.5737       8.395153      202.1213       5.903528      147.1016 2.853522 142.1372 2.076700 4.964417       3.529202 
1 1 1 5  4  28 f 213.2466 2.233561 455.8179       9.571183      486.4230       14.72871      425.2128       12.22079      220.3981 3.341389 206.0950 2.964844 14.30305       4.467122 
1 1 1 5  4  29 o 165.7253 2.176236 275.3752       7.282885      293.7950       11.96575      256.8846       8.317224      171.2527 3.493594 160.1978 2.595923 11.05492       4.352472 
1 1 1 5  4  30 o 95.70779 1.988089 91.81535       3.777465      85.51013       5.761130      98.19141       4.886900      92.38332 3.118057 99.03226 2.467328 -6.648941      3.976177 
1 1 1 5  4  31 o 218.3038 2.364963 477.9216       10.27255      463.0441       16.62028      492.7991       12.07202      214.8088 3.868621 221.7987 2.721391 -6.989899      4.729926 
1 1 1 5  4  32 o 244.5330 3.005313 600.9088       14.70037      601.1921       20.73638      600.6254       20.83557      244.5938 4.238943 244.4722 4.261337 0.1216278      6.010627 
1 1 1 5  4  33 o 231.5687 2.651038 538.4233       12.28455      541.2572       19.00068      535.6604       15.57177      232.0789 4.093581 231.0584 3.369661 1.020508       5.302077 
1 1 1 5  4  34 f 155.8196 2.223492 243.7074       6.915198      235.8436       10.30797      251.5712       9.216957      153.2661 3.362771 158.3732 2.909886 -5.107132      4.446984 
1 1 1 5  4  35 o 155.1680 2.052078 241.5820       6.379609      244.4159       10.54176      238.7483       7.190785      155.9865 3.379062 154.3494 2.329386 1.637115       4.104156 
1 1 1 5  4  36 o 49.97122 7.795465 26.65196       8.430575      27.99093       16.47859      25.32006       3.581224      49.77228 15.17692 50.17016 3.569078 -0.3978806     15.59093 
1 1 1 5  4  37 o 73.21030 5.557450 55.39384       8.118857      56.81075       15.86932      53.98402       3.467872      73.05849 10.86070 73.36210 2.363531 -0.3036118     11.11490 
1 1 1 5  4  38 f 241.4122 3.419702 591.4863       16.52818      603.8135       24.86666      579.1594       21.78489      243.7301 5.101270 239.0943 4.555711 4.635742       6.839405 
1 1 1 5  4  39 o 98.28763 3.618301 98.54564       7.119940      99.82085       11.27855      97.27043       8.692703      98.68506 5.714417 97.89020 4.440028 0.7948608      7.236602 
1 1 1 5  4  40 f 148.6250 4.921625 226.2086       14.62953      226.2086       14.62953      ?              ?             148.6250 4.921625 ?        ?        ?              ?        
1 1 1 5  4  41 o 64.45940 4.773378 43.79649       6.023257      39.54578       9.663282      48.04012       7.190785      60.69681 7.960289 68.22199 5.270138 -7.525185      9.546756 
1 1 1 5  4  42 o 23.50658 6.511930 2.673697       5.185159      12.85840       8.657280      -7.509589      5.708704      32.83889 11.09258 14.17428 6.824624 18.66461       13.02386 
1 1 1 5  4  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  4  44 o 43.69485 5.835718 22.86882       4.850770      17.81756       7.566265      27.92717       6.072140      36.88779 10.00404 50.50190 6.011793 -13.61411      11.67144 
1 1 1 5  4  45 o 28.99893 6.822206 10.74013       5.416114      8.954830       9.528677      12.53251       5.152570      26.41840 10.96867 31.57946 8.115309 -5.161064      13.64441 
1 1 1 5  4  46 f 36.77088 6.350634 18.78814       5.124940      15.83390       8.728126      21.73530       5.372899      30.44268 11.06659 43.09908 6.233194 -12.65640      12.70127 
1 1 1 5  5  0  o 129.5415 2.295547 167.9739       5.943202      167.9739       5.943202      167.9739       5.943202      129.5415 2.295547 129.5415 2.295547 0.000000       0.000000 
1 1 1 5  5  1  o 410.8038 3.077673 1688.241       25.29173      1726.497       36.54903      1649.984       34.97626      415.4578 4.398645 406.1497 4.305834 9.308044       6.155346 
1 1 1 5  5  2  o 79.58107 1.394353 63.43477       2.220288      58.40476       3.024381      68.46478       3.251793      76.42093 1.978765 82.74122 1.965038 -6.320290      2.788707 
1 1 1 5  5  3  o 475.5182 3.523066 2262.087       33.50977      2286.174       47.87009      2237.999       46.89951      478.0491 5.006817 472.9872 4.957799 5.061890       7.046133 
1 1 1 5  5  4  o 642.8585 4.698837 4135.941       60.41677      4089.184       84.51830      4182.700       86.36028      639.2271 6.610976 646.4900 6.679166 -7.262939      9.397674 
1 1 1 5  5  5  o 238.1425 1.945261 567.1865       9.266549      561.3772       12.99301      573.0667       13.21263      236.9157 2.742116 239.3693 2.759883 -2.453644      3.890521 
1 1 1 5  5  6  o 147.8385 1.476143 218.6282       4.364771      216.1487       6.154321      221.0369       6.190452      147.0120 2.093136 148.6651 2.082012 -1.653152      2.952286 
1 1 1 5  5  7  o 408.1378 3.616064 1666.987       29.49285      1662.028       49.75457      1671.946       31.69613      407.4672 6.105346 408.8084 3.876649 -1.341156      7.232127 
1 1 1 5  5  8  o 311.0783 2.490326 967.7452       15.46550      954.2846       24.27156      981.9142       19.17779      308.8448 3.929410 313.3119 3.060495 -4.467163      4.980652 
1 1 1 5  5  9  o 376.9757 3.491832 1423.280       26.14187      1357.394       41.67822      1488.457       31.56861      368.2460 5.659018 385.7055 4.092321 -17.45947      6.983665 
1 1 1 5  5  10 o 441.0267 3.397182 1946.826       29.88250      1898.651       46.49569      1995.000       37.54086      435.5298 5.337832 446.5237 4.203681 -10.99393      6.794364 
1 1 1 5  5  11 o 282.1299 2.313334 796.2998       13.07802      805.5097       20.94184      787.0900       15.65678      283.7470 3.690231 280.5128 2.790744 3.234222       4.626667 
1 1 1 5  5  12 o 128.4202 1.741462 164.9984       4.512129      172.3663       7.637110      157.7014       4.810388      131.2692 2.908951 125.5712 1.915402 5.697929       3.482924 
1 1 1 5  5  13 o 319.7805 2.564481 1023.004       16.38649      1018.045       25.93642      1027.964       20.04918      318.9893 4.065406 320.5718 3.127098 -1.582458      5.128963 
1 1 1 5  5  14 o 91.31038 1.581143 83.38477       2.877023      80.05505       4.373273      86.78535       3.738500      89.46680 2.444076 93.15396 2.006624 -3.687164      3.162285 
1 1 1 5  5  15 o 997.8121 7.823591 9982.085       156.0719      9953.748       235.4894      10010.42       204.9551      996.2139 11.81922 999.4104 10.25380 -3.196472      15.64718 
1 1 1 5  5  16 o 489.4139 3.768858 2396.692       36.89617      2400.943       58.55354      2392.442       44.91584      489.8102 5.977166 489.0175 4.592458 0.7927551      7.537717 
1 1 1 5  5  17 o 531.0995 4.057343 2823.180       43.00302      2770.047       67.20374      2876.314       53.66523      526.0502 6.387578 536.1488 5.004695 -10.09857      8.114686 
1 1 1 5  5  18 o 510.8598 4.908242 2612.062       50.10171      2594.351       77.22124      2630.482       63.89526      509.0439 7.584930 512.6757 6.231549 -3.631775      9.816483 
1 1 1 5  5  19 o 120.8825 1.651839 146.1536       3.984333      144.2408       6.559555      148.0664       4.523465      120.0881 2.731142 121.6768 1.858803 -1.588707      3.303677 
1 1 1 5  5  20 o 185.3446 2.406925 344.0950       9.131943      368.1824       16.87532      319.9368       6.997378      191.8307 4.398493 178.8586 1.956121 12.97217       4.813849 
1 1 1 5  5  21 o 712.5273 6.175683 5087.392       87.91887      5072.515       148.6332      5102.270       94.01155      711.1700 10.44991 713.8848 6.584505 -2.714783      12.35137 
1 1 1 5  5  22 o 528.7354 4.088672 2799.093       43.31474      2834.516       69.63373      2763.670       51.52570      531.9918 6.544625 525.4789 4.902737 6.512817       8.177343 
1 1 1 5  5  23 o 299.0373 3.724238 0.000000       0.000000      ?              ?             894.7746       22.27372      ?        ?        299.0373 3.724238 ?              ?        
1 1 1 5  5  24 o 235.1929 2.398693 553.5134       11.35648      567.3990       19.80123      539.6986       11.11561      238.1033 4.158116 232.2825 2.392692 5.820877       4.797386 
1 1 1 5  5  25 o 114.3618 2.027824 132.7639       4.856437      164.3608       8.508506      101.1669       4.686408      128.1590 3.319512 100.5646 2.330048 27.59435       4.055648 
1 1 1 5  5  26 o 133.8983 3.277524 179.6634       8.706873      176.8296       16.81865      182.4972       4.539759      132.7233 6.335981 135.0733 1.680480 -2.350021      6.555049 
1 1 1 5  5  27 o 149.7681 3.283514 224.8626       9.819141      224.2250       18.71730      225.4293       5.928325      149.4247 6.263118 150.1114 1.974642 -0.6866608     6.567028 
1 1 1 5  5  28 o 221.6708 3.446556 492.9407       15.40174      504.2760       28.98276      481.6056       10.42841      223.9654 6.470367 219.3763 2.376831 4.589050       6.893111 
1 1 1 5  5  29 o 97.05534 3.843306 94.79085       7.148279      85.65182       13.55268      104.0007       4.573056      92.16906 7.352078 101.9416 2.242978 -9.772575      7.686612 
1 1 1 5  5  30 o 98.66163 2.810855 97.69550       5.550720      98.19141       10.17337      97.12873       4.452619      98.82133 5.147354 98.50192 2.260169 0.3194122      5.621709 
1 1 1 5  5  31 o 181.7352 2.521955 331.4846       9.287803      348.0623       16.43608      314.9068       8.650196      186.1383 4.415020 177.3322 2.438981 8.806076       5.043910 
1 1 1 5  5  32 o 227.0129 3.156645 0.000000       0.000000      ?              ?             516.8156       14.33198      ?        ?        227.0129 3.156645 ?              ?        
1 1 1 5  5  33 o 147.9776 2.493519 219.9743       7.502505      232.5847       13.56685      207.3638       6.415740      152.0598 4.461024 143.8955 2.229306 8.164368       4.987037 
1 1 1 5  5  34 o 62.30523 3.926553 39.22697       4.842976      38.53978       9.188620      39.91418       3.054844      61.49600 7.470908 63.11446 2.420083 -1.618458      7.853106 
1 1 1 5  5  35 o 42.49813 5.986247 18.73855       5.025757      9.642029       9.542846      27.83507       3.164654      32.33086 11.58938 52.66539 3.004491 -20.33453      11.97249 
1 1 1 5  5  36 o 54.53677 9.123019 32.48960       10.45675      31.00185       18.51893      33.97735       9.727042      51.82536 16.14758 57.24817 8.495505 -5.422806      18.24604 
1 1 1 5  5  37 o 67.20932 5.197161 46.48861       6.970457      46.53112       11.61861      46.45318       7.707955      66.85654 8.689209 67.56210 5.704349 -0.7055664     10.39432 
1 1 1 5  5  38 f 64.13953 7.769765 45.30549       9.004422      34.31741       16.03935      56.30066       8.175533      53.97533 14.53311 74.30374 5.501428 -20.32841      15.53953 
1 1 1 5  5  39 o 57.81783 8.032583 37.64713       8.997337      21.40233       16.21646      53.89901       7.800055      43.05021 15.14002 72.58545 5.373015 -29.53524      16.06517 
1 1 1 5  5  40 o 128.5309 4.313394 171.0203       10.93850      165.3526       18.92983      176.7587       10.95975      125.2001 7.559831 131.8618 4.155771 -6.661682      8.626788 
1 1 1 5  5  41 o 26.20471 7.467837 1.443825       7.304138      -5.056929      13.07094      7.941744       6.530509      24.88285 11.42940 27.52657 9.614736 -2.643723      14.93567 
1 1 1 5  5  42 f 34.20263 7.938580 11.75322       7.785885      7.091603       14.04860      16.40774       6.712580      30.74344 13.06777 37.66182 9.017627 -6.918386      15.87716 
1 1 1 5  5  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  5  44 o 63.40540 5.238437 46.29024       6.842227      54.47286       12.10036      38.10762       6.390234      67.21569 9.001141 59.59511 5.361376 7.620583       10.47687 
1 1 1 5  5  45 o 28.88869 7.416371 12.56793       5.852520      16.22355       10.37882      8.912323       5.411863      31.59650 11.96210 26.18088 8.770309 5.415619       14.83274 
1 1 1 5  5  46 o 35.51776 6.744733 18.76689       5.448702      15.72763       9.103605      21.81323       5.989252      29.62578 11.20693 41.40974 7.508028 -11.78395      13.48947 
1 1 1 5  6  0  o 261.3324 3.460496 683.3726       18.07969      683.3726       18.07969      683.3726       18.07969      261.3324 3.460496 261.3324 3.460496 0.000000       0.000000 
1 1 1 5  6  1  o 249.2066 2.033791 621.0997       10.13795      626.0588       14.42408      616.2114       14.24696      250.1942 2.882576 248.2189 2.869839 1.975342       4.067582 
1 1 1 5  6  2  o 514.8837 3.808316 2652.444       39.21281      2667.321       55.76224      2637.566       55.16005      516.3270 5.399896 513.4404 5.371613 2.886597       7.616632 
1 1 1 5  6  3  o 789.8954 5.749015 6247.128       90.82352      6239.335       128.3006      6255.629       128.5840      789.3809 8.126661 790.4100 8.134007 -1.029114      11.49803 
1 1 1 5  6  4  o 283.5172 2.248281 804.0928       12.75213      821.0956       18.37016      787.0900       17.69004      286.5145 3.205799 280.5198 3.153082 5.994690       4.496562 
1 1 1 5  6  5  o 270.1475 2.167632 730.4138       11.71071      714.1194       16.25897      745.9998       16.86824      267.1984 3.042490 273.0965 3.088329 -5.898163      4.335265 
1 1 1 5  6  6  o 313.2410 2.444419 981.2057       15.31673      992.5410       21.86991      970.5789       21.44484      314.9928 3.471493 311.4893 3.442307 3.503510       4.888838 
1 1 1 5  6  7  o 470.5769 3.505543 2216.037       32.99260      2205.410       46.45318      2226.664       46.86409      469.4492 4.947626 471.7045 4.967525 -2.255280      7.011085 
1 1 1 5  6  8  f 305.6332 2.399991 934.4479       14.67204      937.2817       20.80014      931.6141       20.69388      306.0965 3.397645 305.1699 3.390550 0.9266357      4.799981 
1 1 1 5  6  9  o 186.6500 1.693474 348.4874       6.323640      340.9778       8.798972      355.9970       9.082352      184.6388 2.382752 188.6611 2.407055 -4.022263      3.386949 
1 1 1 5  6  10 o 96.88941 1.545073 93.94070       3.005961      96.20776       4.918072      91.60282       3.457245      98.07487 2.507305 95.70395 1.806219 2.370926       3.090146 
1 1 1 5  6  11 o 895.6704 6.733160 8048.012       120.5076      8012.590       190.0776      8083.435       148.2789      893.3439 10.63855 897.9970 8.256094 -4.653137      13.46632 
1 1 1 5  6  12 f 397.8665 3.114937 1584.098       24.73205      1555.052       38.72398      1613.145       30.77514      394.1883 4.911862 401.5448 3.832094 -7.356445      6.229875 
1 1 1 5  6  13 o 267.9753 2.253818 718.3701       12.11453      731.8307       19.51785      704.9095       14.34615      270.4757 3.608059 265.4749 2.701978 5.000793       4.507636 
1 1 1 5  6  14 o 259.8700 2.316725 675.5796       12.06493      691.0239       18.68896      660.1354       15.26714      262.8351 3.555263 256.9049 2.971359 5.930176       4.633451 
1 1 1 5  6  15 o 185.8534 2.207952 345.6536       8.317224      362.5148       14.77830      328.8633       7.637110      190.3691 3.881486 181.3377 2.105770 9.031403       4.415903 
1 1 1 5  6  16 o 864.2859 6.515429 7481.251       112.7855      7573.349       180.0176      7396.236       135.9519      869.1771 10.35563 859.3948 7.909747 9.782288       13.03086 
1 1 1 5  6  17 o 175.6000 2.268782 308.6724       7.870899      292.4489       13.36848      324.8251       8.303054      170.9818 3.909330 180.2182 2.303611 -9.236420      4.537564 
1 1 1 5  6  18 o 164.2091 1.992998 270.0618       6.646695      289.9693       11.39190      250.1543       6.854979      170.2637 3.345371 158.1544 2.167179 12.10928       3.985996 
1 1 1 5  6  19 o 952.6985 8.523834 9117.774       162.7314      9231.127       268.2907      8997.338       184.2683      958.1252 14.00081 947.2718 9.726264 10.85345       17.04767 
1 1 1 5  6  20 o 94.67102 2.013032 90.25676       3.912779      105.0634       6.616940      75.45012       4.179157      102.4865 3.228199 86.85549 2.405811 15.63105       4.026065 
1 1 1 5  6  21 o 351.6059 4.347154 0.000000       0.000000      ?              ?             1236.957       30.56969      ?        ?        351.6059 4.347154 ?              ?        
1 1 1 5  6  22 o 489.7483 5.761846 2405.194       55.96061      2352.769       103.6465      2456.911       42.21664      483.9958 10.70738 495.5008 4.259998 -11.50497      11.52369 
1 1 1 5  6  23 o 153.9801 3.460512 237.3313       10.69762      239.9526       20.22630      234.7809       6.983210      154.7527 6.535038 153.2074 2.279005 1.545334       6.921025 
1 1 1 5  6  24 o 333.7785 3.210912 1115.812       21.61486      1147.692       38.66021      1083.223       19.33365      338.5036 5.710459 329.0534 2.937768 9.450195       6.421824 
1 1 1 5  6  25 o 238.1905 2.633408 568.5326       12.80172      604.3802       23.47809      532.6140       10.21588      245.6377 4.779009 230.7432 2.213689 14.89442       5.266816 
1 1 1 5  6  26 o 288.3832 2.972114 833.1393       17.20121      844.4745       30.10920      821.8041       16.63445      290.2140 5.187413 286.5524 2.902514 3.661621       5.944228 
1 1 1 5  6  27 o 102.9614 2.757849 106.3386       5.531591      98.33311       10.02459      114.3441       4.684283      99.02000 5.061903 106.9029 2.190906 -7.882858      5.515698 
1 1 1 5  6  28 o 153.1452 2.519851 235.0643       7.622942      225.0043       13.41099      245.0535       7.247461      149.8039 4.476183 156.4866 2.315681 -6.682709      5.039702 
1 1 1 5  6  29 o 165.8682 2.511459 275.7294       8.338477      277.0755       14.71454      274.3125       7.856731      166.1889 4.427052 165.5474 2.372955 0.6415405      5.022918 
1 1 1 5  6  30 o 94.41606 2.958314 89.54830       5.465705      84.44745       10.06001      94.64915       4.282591      91.59557 5.491541 97.23656 2.202151 -5.640991      5.916628 
1 1 1 5  6  31 o 185.6199 3.448649 346.9288       13.09219      369.1742       24.68954      324.6126       8.735210      191.1955 6.456624 180.0444 2.425849 11.15108       6.897299 
1 1 1 5  6  32 o 162.9616 3.429950 267.5114       11.27147      274.6667       21.31023      260.2852       7.360813      164.7140 6.468858 161.2093 2.282999 3.504700       6.859899 
1 1 1 5  6  33 o 242.6392 3.878937 594.3911       18.92983      609.1268       34.09778      579.6553       16.47150      244.9586 6.959908 240.3199 3.426996 4.638718       7.757874 
1 1 1 5  6  34 o 22.72533 7.264053 -2.395276      7.019340      -0.3693159     12.56793      -4.421447      6.256337      28.19076 12.17992 17.25990 7.919306 10.93086       14.52811 
1 1 1 5  6  35 o 161.2319 4.044242 263.5441       13.21971      279.9801       22.96801      247.1788       13.08510      165.7778 6.927345 156.6860 4.175582 9.091873       8.088485 
1 1 1 5  6  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  6  37 o 75.56380 7.697999 61.78408       10.74013      50.88101       17.45625      72.68716       12.51126      67.14133 13.47435 83.98627 7.448396 -16.84494      15.39600 
1 1 1 5  6  38 o 59.27916 7.088572 38.05803       8.182618      34.48743       11.65403      41.62154       11.48400      55.79364 10.83038 62.76467 9.148461 -6.971031      14.17714 
1 1 1 5  6  39 f 114.5221 4.314640 135.3851       9.854564      141.8320       13.35432      128.9382       14.48784      117.4839 5.683468 111.5603 6.493278 5.923576       8.629279 
1 1 1 5  6  40 o 28.71132 7.969427 6.308763       6.868440      10.71179       9.953747      1.905027       9.464915      32.30394 11.81072 25.11868 10.70298 7.185259       15.93885 
1 1 1 5  6  41 o 59.26530 6.180593 38.49727       7.318307      39.43243       10.18045      37.56211       10.52051      60.14753 8.462901 58.38308 9.009895 1.764454       12.36119 
1 1 1 5  6  42 o 37.62851 8.439206 17.55543       7.325392      23.01051       10.79680      12.10744       9.889987      42.78851 12.08535 32.46852 11.78241 10.31999       16.87841 
1 1 1 5  6  43 o 27.41542 7.175816 5.375024       6.449036      -7.637110      9.068183      18.38432       9.174451      18.31756 8.766136 36.51329 11.36328 -18.19573      14.35163 
1 1 1 5  6  44 o 58.32107 5.264053 38.87275       6.124566      39.49619       8.104689      38.24931       9.181536      59.37142 6.825412 57.27072 8.015908 2.100700       10.52811 
1 1 1 5  6  45 o 49.87576 6.115823 31.69613       5.924782      33.80732       8.154280      29.59203       8.600604      52.72749 7.732475 47.02404 9.477446 5.703453       12.23165 
1 1 1 5  6  46 o 22.98281 6.575028 6.751545       5.055512      0.7360815      6.925116      12.76630       7.367898      18.22346 8.349019 27.74216 10.15962 -9.518694      13.15006 
1 1 1 5  7  0  o 28.80119 4.949382 8.912323       2.621272      8.912323       2.621272      8.912323       2.621272      28.80119 4.949382 28.80119 4.949382 0.000000       0.000000 
1 1 1 5  7  1  o 352.7500 2.719195 1244.750       19.18487      1244.041       27.10536      1245.458       27.15496      352.6497 3.843101 352.8503 3.847943 -0.2006226     5.438390 
1 1 1 5  7  2  o 373.6052 2.855354 1396.359       21.33857      1394.233       30.13754      1398.484       30.20838      373.3209 4.036412 373.8894 4.039749 -0.5685425     5.710709 
1 1 1 5  7  3  o 507.6577 3.772694 2578.765       38.30599      2604.977       54.70665      2553.260       53.63689      510.2009 5.361285 505.1146 5.309378 5.086304       7.545388 
1 1 1 5  7  4  o 346.7674 2.676539 1202.951       18.56144      1205.785       26.31898      1200.117       26.18438      347.1756 3.790442 346.3591 3.779947 0.8165283      5.353079 
1 1 1 5  7  5  o 167.5604 1.644858 280.9012       5.514588      291.1028       8.012589      270.6994       7.580434      170.6038 2.348303 164.5169 2.303847 6.086914       3.289717 
1 1 1 5  7  6  o 343.8154 2.662902 1182.406       18.32056      1211.453       26.49610      1154.068       25.29881      347.9846 3.807079 339.6461 3.724291 8.338593       5.325804 
1 1 1 5  7  7  o 284.1431 2.281789 807.6351       12.96467      804.0928       18.27097      811.1773       18.40558      283.5201 3.222165 284.7661 3.231701 -1.246002      4.563578 
1 1 1 5  7  8  o 63.10236 1.815636 39.83624       2.291842      40.73598       3.269505      38.92942       3.211412      63.81797 2.561587 62.38676 2.573793 1.431210       3.631272 
1 1 1 5  7  9  f 402.1683 3.055806 1618.812       24.57619      1631.564       35.02586      1605.352       34.49452      403.7957 4.337076 400.5408 4.305994 3.254974       6.111613 
1 1 1 5  7  10 o 255.1097 2.111900 651.0672       10.77555      657.5141       15.39466      644.5494       15.08294      256.3794 3.002320 253.8400 2.970954 2.539352       4.223801 
1 1 1 5  7  11 o 379.2141 2.904915 1438.866       22.03285      1428.239       30.96643      1449.492       31.34899      377.8143 4.098102 380.6140 4.118213 -2.799683      5.809830 
1 1 1 5  7  12 o 717.9778 5.429615 5163.905       77.85885      5097.311       122.0662      5230.500       96.63282      713.2002 8.557642 722.7554 6.685030 -9.555176      10.85923 
1 1 1 5  7  13 o 623.0220 4.958715 3886.566       61.89035      3955.995       95.21592      3817.138       79.06322      628.5245 7.574559 617.5194 6.401679 11.00513       9.917431 
1 1 1 5  7  14 o 190.7913 2.047976 364.1442       7.821308      370.8745       11.65403      357.3431       10.43549      192.5625 3.026039 189.0201 2.760420 3.542419       4.095953 
1 1 1 5  7  15 o 312.9769 3.445186 0.000000       0.000000      ?              ?             979.7889       21.56527      ?        ?        312.9769 3.445186 ?              ?        
1 1 1 5  7  16 o 437.5668 4.628115 0.000000       0.000000      ?              ?             1915.654       40.50219      ?        ?        437.5668 4.628115 ?              ?        
1 1 1 5  7  17 o 753.8701 9.657117 5705.163       145.8702      5776.716       240.9445      5634.317       164.5733      758.0582 15.89221 749.6819 10.97621 8.376282       19.31423 
1 1 1 5  7  18 o 172.9688 2.035321 299.2500       7.028550      296.9121       11.92324      301.5879       7.445828      172.2849 3.460328 173.6526 2.143886 -1.367737      4.070641 
1 1 1 5  7  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  20 o 126.8298 2.023913 160.9602       5.162488      165.4943       8.706873      156.3553       5.552136      128.6255 3.384582 125.0341 2.220249 3.591393       4.047827 
1 1 1 5  7  21 o 613.5909 4.919458 3771.089       60.33884      3740.625       91.03606      3801.552       79.20491      611.0399 7.449273 616.1418 6.427490 -5.101929      9.838917 
1 1 1 5  7  22 o 164.3354 2.606879 270.6994       8.791886      293.5824       15.99684      247.8164       7.297054      171.2662 4.670169 157.4046 2.317929 13.86160       5.213758 
1 1 1 5  7  23 o 313.2959 2.839046 0.000000       0.000000      ?              ?             981.9142       17.78922      ?        ?        313.2959 2.839046 ?              ?        
1 1 1 5  7  24 f 235.5444 2.635929 555.4262       12.27038      534.0309       21.90533      576.8215       11.05893      230.9519 4.742402 240.1369 2.302630 -9.185074      5.271857 
1 1 1 5  7  25 o 200.1659 2.489549 401.0546       9.975000      402.4714       18.24972      399.7085       8.062181      200.4394 4.552429 199.8924 2.016631 0.5469971      4.979097 
1 1 1 5  7  26 o 170.1241 2.033022 0.000000       0.000000      ?              ?             289.5442       6.917324      ?        ?        170.1241 2.033022 ?              ?        
1 1 1 5  7  27 o 277.9898 3.934999 775.7547       21.48734      735.3730       38.68147      816.8449       18.73855      270.3571 7.153774 285.6225 3.280300 -15.26544      7.869997 
1 1 1 5  7  28 o 215.0147 3.572314 464.0359       15.52218      478.7717       28.90483      449.3710       11.33523      218.1500 6.624990 211.8793 2.674926 6.270691       7.144629 
1 1 1 5  7  29 o 28.31019 6.708647 5.714372       5.946744      4.169947       11.56193      7.261631       2.788466      30.23109 12.25278 26.38928 5.467473 3.841816       13.41729 
1 1 1 5  7  30 o 90.26568 4.009766 82.32210       7.537927      90.89436       14.51618      73.74983       4.055178      94.70809 7.663641 85.82327 2.362517 8.884827       8.019531 
1 1 1 5  7  31 o 43.49185 6.678440 19.26280       6.115356      16.84698       11.86657      21.67154       2.964162      40.48934 12.97093 46.49436 3.187658 -6.005024      13.35688 
1 1 1 5  7  32 o 23.55902 7.224809 -0.9117774     6.303096      -0.3234082     8.699788      -1.499792      9.124859      23.64286 10.17329 23.47517 10.26136 0.1676922      14.44962 
1 1 1 5  7  33 o 42.95650 7.908809 20.04918       6.934327      15.65678       9.280719      24.43450       10.30797      38.36400 11.32612 47.54900 11.04156 -9.184998      15.81762 
1 1 1 5  7  34 o 240.4286 4.212914 585.5354       20.17671      603.2467       25.41216      567.8242       31.35607      244.4271 5.198312 236.4302 6.631148 7.996887       8.425828 
1 1 1 5  7  35 f 59.11354 7.352238 37.24331       8.409323      31.12229       11.98701      43.37142       11.80281      53.43727 11.54366 64.78982 9.108536 -11.35255      14.70448 
1 1 1 5  7  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  37 o 63.76585 6.020526 43.08804       7.148279      35.31632       11.35648      50.86684       8.685618      56.96733 10.34941 70.56438 6.154394 -13.59705      12.04105 
1 1 1 5  7  38 o 119.8706 3.724618 146.5787       8.969000      153.5923       14.09111      139.5650       11.10144      122.5209 5.750490 117.2203 4.735290 5.300644       7.449235 
1 1 1 5  7  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  7  40 o 29.92229 7.796370 9.209873       6.264839      12.58919       10.20170      5.834100       7.268716      33.87545 11.99874 25.96912 9.958100 7.906332       15.59274 
1 1 1 5  7  41 o 136.8603 3.515203 193.8324       9.642029      199.9251       14.74997      187.8106       12.41916      138.6671 5.318482 135.0536 4.597864 3.613495       7.030406 
1 1 1 5  7  42 o 45.94736 7.403634 25.83724       6.920866      20.63720       11.01642      31.03727       8.380984      39.18403 12.49211 52.71070 7.949984 -13.52667      14.80727 
1 1 1 5  7  43 o 41.63930 6.988930 21.57236       5.769631      20.16962       8.742295      22.98217       7.530843      39.43648 10.77945 43.84212 8.898542 -4.405636      13.97786 
1 1 1 5  7  44 o 31.61433 6.545502 12.35540       5.085975      5.079599       7.622942      19.62411       6.730292      23.46338 9.780496 39.76528 8.701511 -16.30190      13.09100 
1 1 1 5  7  45 o 35.96169 10.65197 19.50368       8.196787      19.50368       8.196787      ?              ?             35.96169 10.65197 ?        ?        ?              ?        
1 1 1 5  8  0  o 147.9942 2.281752 219.1950       6.750128      219.1950       6.750128      219.1950       6.750128      147.9942 2.281752 147.9942 2.281752 0.000000       0.000000 
1 1 1 5  8  1  o 333.6553 2.612441 1113.686       17.43500      1112.978       24.64704      1114.395       24.66121      333.5492 3.694664 333.7614 3.694437 -0.2122498     5.224883 
1 1 1 5  8  2  o 95.49781 1.585065 91.24860       3.026506      87.56464       4.253545      94.93254       4.305970      93.56908 2.272943 97.42654 2.209855 -3.857452      3.170131 
1 1 1 5  8  3  o 721.7728 5.288668 5217.748       76.30025      5259.546       108.8182      5176.657       107.1179      724.6346 7.508487 718.9111 7.450011 5.723572       10.57734 
1 1 1 5  8  4  o 234.5747 2.157198 550.3962       10.10961      558.2600       13.49601      542.6032       15.06169      236.2468 2.856336 232.9025 3.233474 3.344299       4.314395 
1 1 1 5  8  5  o 572.3522 4.236208 3279.423       48.49352      3279.423       68.58521      3279.423       68.57105      572.3521 5.991523 572.3522 5.990284 -0.1220703E-03 8.472417 
1 1 1 5  8  6  o 363.0607 2.809963 1319.137       20.40341      1319.846       28.86232      1317.720       28.84815      363.2070 3.973261 362.9144 3.974513 0.2926025      5.619925 
1 1 1 5  8  7  o 95.77513 1.610861 91.74451       3.085308      91.53197       4.347769      91.95705       4.379649      95.66423 2.272411 95.88602 2.283779 -0.2217941     3.221722 
1 1 1 5  8  8  o 421.5901 3.201765 1778.922       27.00618      1823.555       39.09945      1734.290       37.26456      426.8763 4.579717 416.3040 4.475643 10.57236       6.403530 
1 1 1 5  8  9  o 179.7791 1.750208 323.4791       6.298136      339.7026       9.231127      307.2556       8.572267      184.2897 2.504515 175.2685 2.445467 9.021271       3.500415 
1 1 1 5  8  10 f 291.9306 2.536597 852.2675       14.79956      860.0605       19.75872      845.1830       22.04702      293.2116 3.369362 290.6496 3.792715 2.561981       5.073193 
1 1 1 5  8  11 o 107.5123 1.933486 115.6193       4.154361      117.1071       5.535134      114.1316       6.196119      108.2055 2.557695 106.8190 2.900288 1.386467       3.866973 
1 1 1 5  8  12 o 812.4666 6.847065 6616.939       111.2978      6673.616       158.7640      6560.264       155.9302      815.9370 9.728941 808.9962 9.637266 6.940857       13.69413 
1 1 1 5  8  13 o 416.6660 3.646531 1737.124       30.38550      1743.500       43.22264      1730.748       42.72673      417.4297 5.177237 415.9022 5.136631 1.527466       7.293062 
1 1 1 5  8  14 o 765.9701 6.853273 5878.733       104.6383      5770.340       168.8949      5987.126       123.6957      758.6760 11.13090 773.2642 7.998281 -14.58826      13.70655 
1 1 1 5  8  15 o 507.5718 4.523098 2579.473       46.15564      2636.858       79.06322      2521.380       47.60796      513.1435 7.703812 502.0000 4.741828 11.14346       9.046195 
1 1 1 5  8  16 o 184.0740 1.892898 338.8525       6.966206      337.5773       11.23604      340.1985       8.232210      183.7136 3.058033 184.4345 2.231744 -0.7208710     3.785795 
1 1 1 5  8  17 o 168.0113 2.127536 282.6014       7.155363      299.9585       10.54176      265.2444       9.684536      173.1753 3.043668 162.8473 2.973503 10.32803       4.255072 
1 1 1 5  8  18 o 326.2975 2.710417 1064.803       17.70421      1072.596       28.35932      1057.719       21.20396      327.4181 4.330751 325.1769 3.260374 2.241211       5.420834 
1 1 1 5  8  19 o 373.8841 3.588900 1399.192       26.83615      1398.484       44.22865      1399.192       30.39967      373.7915 5.916219 373.9767 4.064379 -0.1852722     7.177801 
1 1 1 5  8  20 o 136.6838 2.096145 186.8896       5.754754      193.2656       9.209873      180.5844       6.903862      138.9984 3.312941 134.3691 2.568991 4.629303       4.192290 
1 1 1 5  8  21 o 311.6787 2.662172 971.9959       16.56360      957.8268       26.33315      986.1649       20.09169      309.3842 4.255736 313.9732 3.199587 -4.588989      5.324345 
1 1 1 5  8  22 o 127.3154 1.914288 162.5188       4.795510      147.6413       7.707955      177.3255       5.707288      121.4806 3.172503 133.1501 2.143179 -11.66941      3.828576 
1 1 1 5  8  23 o 85.62843 1.846343 73.32476       3.174572      75.37926       5.136983      71.34109       3.731416      86.80307 2.958987 84.45380 2.209146 2.349266       3.692686 
1 1 1 5  8  24 o 381.3243 4.832172 1459.411       37.68255      1547.967       71.34109      1371.563       24.30698      392.4274 9.089719 370.2211 3.282765 22.20627       9.664344 
1 1 1 5  8  25 f 128.8096 3.624697 166.5570       9.061099      154.9384       17.27205      178.1048       5.467123      124.1899 6.953887 133.4294 2.048696 -9.239433      7.249393 
1 1 1 5  8  26 o 170.2040 3.411793 290.6778       11.32814      272.6122       21.21813      308.7433       7.927575      164.7449 6.439693 175.6631 2.256471 -10.91823      6.823585 
1 1 1 5  8  27 o 261.7943 3.508510 0.000000       0.000000      ?              ?             686.4189       18.37016      ?        ?        261.7943 3.508510 ?              ?        
1 1 1 5  8  28 o 85.30801 3.600286 74.03321       5.610230      56.88868       10.15211      91.17775       4.772840      75.17286 6.752513 95.44315 2.500357 -20.27029      7.200571 
1 1 1 5  8  29 o 357.2458 3.788924 1283.715       26.97076      1248.292       42.57087      1319.137       33.11303      352.0402 6.046308 362.4515 4.567927 -10.41129      7.577849 
1 1 1 5  8  30 o 263.4469 3.180848 697.3291       16.73363      693.0075       27.13370      701.6506       19.60995      262.4316 5.169672 264.4622 3.707514 -2.030609      6.361696 
1 1 1 5  8  31 o 122.1148 2.844658 149.9084       6.801846      141.4778       12.49709      158.2681       5.372190      118.5021 5.272943 125.7275 2.136442 -7.225433      5.689315 
1 1 1 5  8  32 o 119.7966 5.224831 144.6659       12.51834      144.6659       12.51834      ?              ?             119.7966 5.224831 ?        ?        ?              ?        
1 1 1 5  8  33 o 109.7535 5.683573 121.8537       12.47583      121.8537       12.47583      ?              ?             109.7535 5.683573 ?        ?        ?              ?        
1 1 1 5  8  34 f 26.48845 7.550363 3.923406       6.227999      4.551803       10.21588      3.295009       7.127024      28.70256 11.56508 24.27433 9.709829 4.428230       15.10073 
1 1 1 5  8  35 o 79.11276 6.138627 0.000000       0.000000      ?              ?             63.61189       9.712874      ?        ?        79.11276 6.138627 ?              ?        
1 1 1 5  8  36 o 48.57675 8.179597 26.05686       8.026759      24.54785       13.27639      27.56586       9.025676      46.54634 13.48462 50.60716 9.262193 -4.060822      16.35919 
1 1 1 5  8  37 o 30.19193 7.948453 8.125941       6.748711      14.79956       11.18645      1.449492       7.559181      37.33507 12.60922 23.04878 9.680866 14.28629       15.89691 
1 1 1 5  8  38 o 46.17669 7.244677 23.30806       6.701954      21.65029       10.93850      24.96584       7.750463      43.49824 12.12532 48.85513 7.932086 -5.356895      14.48935 
1 1 1 5  8  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  40 o 128.8968 3.622702 171.4453       9.401155      185.4018       14.69329      157.4888       11.72488      133.8756 5.487665 123.9180 4.730900 9.957588       7.245404 
1 1 1 5  8  41 o 56.27387 6.701894 36.58445       7.007296      28.91900       11.12978      44.24990       8.508506      48.16224 11.66203 64.38550 6.607471 -16.22326      13.40379 
1 1 1 5  8  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  8  44 o 55.09912 5.150957 35.32341       5.687451      37.50544       8.480167      33.14846       7.580434      56.57469 7.494666 53.62355 7.068196 2.951141       10.30191 
1 1 1 5  8  45 o 58.94982 4.895747 41.36650       5.744127      39.51744       8.473083      43.20847       7.757547      56.89411 7.446362 61.00552 6.358069 -4.111412      9.791494 
1 1 1 5  9  0  o 380.5116 4.159536 1448.784       31.64654      1448.784       31.64654      1448.784       31.64654      380.5116 4.159536 380.5116 4.159536 -0.000000      0.000000 
1 1 1 5  9  1  o 287.5418 2.346667 827.4717       13.49601      815.4280       18.84482      838.8069       19.32656      285.5104 3.300198 289.5733 3.337076 -4.062927      4.693335 
1 1 1 5  9  2  o 425.2329 3.238487 1809.386       27.54460      1817.179       39.09945      1801.593       38.80191      426.1482 4.587542 424.3176 4.572271 1.830566       6.476975 
1 1 1 5  9  3  o 160.5179 1.862186 257.7348       5.987834      253.2007       7.693786      262.2688       9.174451      159.1085 2.417780 161.9272 2.832894 -2.818680      3.724372 
1 1 1 5  9  4  o 144.6247 1.677313 209.2767       4.853603      201.2712       6.701954      217.2822       7.021466      141.8576 2.362212 147.3918 2.381906 -5.534164      3.354626 
1 1 1 5  9  5  f 398.7656 3.065193 1591.183       24.44867      1612.436       35.03294      1569.929       34.11195      401.4272 4.363548 396.1039 4.305935 5.323334       6.130386 
1 1 1 5  9  6  o 283.6208 2.674176 804.8012       15.16795      801.2590       21.48734      808.3435       21.41650      282.9962 3.796402 284.2455 3.767253 -1.249390      5.348351 
1 1 1 5  9  7  o 63.80000 2.253451 40.91309       2.864270      46.53820       4.142318      35.28798       3.955995      68.20787 3.036539 59.39213 3.330404 8.815742       4.506901 
1 1 1 5  9  8  o 329.2058 2.997490 1084.640       19.74455      1112.978       28.69230      1056.302       27.13370      333.5040 4.301643 324.9077 4.175602 8.596283       5.994980 
1 1 1 5  9  9  o 281.8723 2.658607 794.8829       15.00501      828.1802       22.06119      762.2941       20.33965      287.7105 3.833922 276.0341 3.684264 11.67639       5.317214 
1 1 1 5  9  10 o 123.5034 2.199390 152.8839       5.510338      167.4072       9.110690      138.4315       6.202496      129.3621 3.521390 117.6448 2.636111 11.71734       4.398781 
1 1 1 5  9  11 o 533.4362 4.305290 2847.976       45.96435      2875.606       70.00921      2821.055       59.58080      535.9519 6.531296 530.9205 5.611085 5.031433       8.610580 
1 1 1 5  9  12 o 244.3428 2.116317 597.1540       10.34340      598.0042       14.65787      596.3038       14.59411      244.5166 2.997315 244.1689 2.988527 0.3477173      4.232634 
1 1 1 5  9  13 o 709.4808 5.216156 5039.217       74.03321      5012.296       104.1424      5066.139       105.2051      707.5876 7.358977 711.3741 7.394498 -3.786499      10.43231 
1 1 1 5  9  14 f 420.5535 3.491853 1769.713       29.34407      1744.208       44.02319      1795.217       38.80191      417.5068 5.272153 423.6002 4.580016 -6.093323      6.983706 
1 1 1 5  9  15 f 313.7587 2.540212 984.7480       15.94017      986.1649       22.60670      983.3311       22.47918      313.9843 3.599973 313.5332 3.584816 0.4510193      5.080424 
1 1 1 5  9  16 o 67.62271 3.554075 46.08479       4.520631      38.30599       8.161365      53.85650       3.887275      61.86379 6.596237 73.38163 2.648671 -11.51784      7.108150 
1 1 1 5  9  17 o 358.7428 2.935363 1287.257       21.02685      1270.963       33.22639      1304.260       25.77348      356.4018 4.661366 361.0837 3.568906 -4.681915      5.870726 
1 1 1 5  9  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  19 o 252.8821 3.287479 639.8737       16.54235      627.6883       28.81273      652.1299       16.25897      250.4295 5.752664 255.3347 3.183854 -4.905258      6.574958 
1 1 1 5  9  20 o 284.4602 2.953405 809.7604       16.87532      828.8886       28.15387      790.6322       18.61811      287.7898 4.891395 281.1306 3.311292 6.659210       5.906810 
1 1 1 5  9  21 o 509.3961 5.397571 0.000000       0.000000      ?              ?             2597.893       54.99002      ?        ?        509.3961 5.397571 ?              ?        
1 1 1 5  9  22 o 211.5073 2.380716 447.6707       10.10252      456.5263       16.75488      438.7442       11.30689      213.5880 3.922243 209.4266 2.699488 4.161469       4.761431 
1 1 1 5  9  23 o 110.2374 2.016814 121.9954       4.441993      108.2514       6.063639      135.6685       6.494378      104.0212 2.914617 116.4535 2.788399 -12.43232      4.033629 
1 1 1 5  9  24 o 188.7303 2.027592 356.4221       7.651280      355.7137       12.05785      357.1305       9.422408      188.5278 3.197896 188.9328 2.493588 -0.4049072     4.055184 
1 1 1 5  9  25 o 113.3696 2.114676 0.000000       0.000000      ?              ?             128.5840       4.794801      ?        ?        113.3696 2.114676 ?              ?        
1 1 1 5  9  26 f 310.2260 3.133607 964.9113       19.21321      926.6550       33.83566      1003.168       18.22138      303.8733 5.567395 316.5787 2.877859 -12.70538      6.267213 
1 1 1 5  9  27 o 161.8469 2.298080 0.000000       0.000000      ?              ?             262.1272       7.438744      ?        ?        161.8469 2.298080 ?              ?        
1 1 1 5  9  28 o 300.3131 3.267216 904.6929       19.65245      912.4859       33.40350      897.6085       20.71513      301.3179 5.542900 299.3083 3.460501 2.009674       6.534432 
1 1 1 5  9  29 o 33.84084 5.978349 11.08727       4.673656      9.245295       8.834394      12.92925       3.051302      31.79424 11.17541 35.88744 4.251212 -4.093201      11.95670 
1 1 1 5  9  30 o 179.9356 2.709248 324.8960       9.712874      321.4246       17.20121      328.3674       9.032760      178.7951 4.810313 181.0761 2.494189 -2.280960      5.418495 
1 1 1 5  9  31 o 86.76913 3.429211 75.87518       5.767506      70.37760       10.83931      81.40111       3.945368      83.37869 6.500050 90.15957 2.187992 -6.780876      6.858422 
1 1 1 5  9  32 o 230.9237 3.445217 537.0773       15.91891      542.8866       23.57727      531.2679       21.39524      232.1018 5.079081 229.7457 4.656289 2.356125       6.890435 
1 1 1 5  9  33 o 113.6191 3.696933 130.3551       8.366816      126.1753       12.99301      134.4642       10.54885      111.6877 5.816667 115.5505 4.564607 -3.862732      7.393865 
1 1 1 5  9  34 o 45.39672 7.328226 21.65737       6.931493      12.96467       11.23604      30.34299       8.125941      36.30190 12.61814 54.49154 7.456150 -18.18964      14.65645 
1 1 1 5  9  35 o 24.14896 7.948191 -8.076350      9.195704      -6.019006      15.45842      -10.13086      9.960832      28.16744 12.76255 20.13048 9.476932 8.036964       15.89638 
1 1 1 5  9  36 o 36.55225 8.220965 13.73688       7.112856      11.63986       11.74613      15.83390       8.012589      35.05433 12.82877 38.05016 10.28396 -2.995827      16.44193 
1 1 1 5  9  37 o 170.6590 3.537664 296.2037       12.02243      277.7131       17.78214      314.6943       16.17395      165.1128 5.384845 176.2052 4.589521 -11.09241      7.075328 
1 1 1 5  9  38 o 134.7527 3.723912 185.5435       9.996255      178.6007       15.20337      192.4863       12.98592      131.9514 5.760978 137.5541 4.720297 -5.602722      7.447823 
1 1 1 5  9  39 f 93.68605 4.524775 91.31944       8.423491      87.70633       13.13470      94.93254       10.55593      91.35649 7.188704 96.01561 5.496987 -4.659119      9.049549 
1 1 1 5  9  40 o 117.2235 3.811433 142.3280       9.004422      155.2926       14.13361      129.4341       11.15103      122.2723 5.779563 112.1747 4.970387 10.09764       7.622867 
1 1 1 5  9  41 o 20.78503 6.716397 -2.846559      6.296011      -3.326181      10.26547      -2.366229      7.297054      22.30366 10.19609 19.26641 8.745265 3.037252       13.43279 
1 1 1 5  9  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  9  43 o 22.14178 6.504389 1.326930       5.367939      -6.286801      7.941744      8.940661       7.226208      17.36912 8.286193 26.91443 10.02833 -9.545309      13.00878 
1 1 1 5  9  44 o 74.61565 4.362636 63.56938       6.441952      81.04688       9.783719      46.08479       8.388069      85.64677 5.711669 63.58452 6.596000 22.06225       8.725272 
1 1 1 5  9  45 o 62.21021 4.740388 46.07771       5.834100      40.93435       8.451830      51.22815       8.040927      57.78596 7.313048 66.63445 6.033611 -8.848492      9.480777 
1 1 1 5  10 0  o 449.6519 4.840579 2023.338       43.52020      2023.338       43.52020      2023.338       43.52020      449.6519 4.840579 449.6519 4.840579 0.000000       0.000000 
1 1 1 5  10 1  o 138.4187 1.727759 191.7779       4.787009      202.2630       7.012964      181.2928       6.518465      142.2051 2.465791 134.6322 2.420842 7.572952       3.455518 
1 1 1 5  10 2  o 183.5405 2.413437 337.0814       8.905238      349.6209       14.29656      324.6126       10.61261      186.9366 3.823905 180.1444 2.945584 6.792206       4.826874 
1 1 1 5  10 3  o 236.9497 2.413908 561.6606       11.44150      554.1510       16.11728      569.2410       16.23771      235.3580 3.423993 238.5415 3.403541 -3.183533      4.827817 
1 1 1 5  10 4  o 301.2181 2.833392 908.2352       17.07369      922.4042       24.56202      893.3577       23.71897      303.6260 4.044783 298.8102 3.968901 4.815735       5.666784 
1 1 1 5  10 5  o 547.8021 4.720950 3005.253       51.73115      3027.923       73.82067      2983.291       72.47462      549.8311 6.713032 545.7731 6.639629 4.058044       9.441900 
1 1 1 5  10 6  o 663.7253 5.653055 4415.072       75.02505      4461.121       107.3305      4369.730       104.9217      667.1506 8.043944 660.3000 7.945003 6.850525       11.30611 
1 1 1 5  10 7  o 230.2938 2.232253 530.5595       10.29380      537.6440       15.70638      523.4750       13.30472      231.8254 3.387545 228.7622 2.907981 3.063171       4.464506 
1 1 1 5  10 8  f 290.9063 2.402210 846.5999       13.97775      855.1013       19.97126      838.0985       19.56035      292.3663 3.415451 289.4462 3.378928 2.920166       4.804420 
1 1 1 5  10 9  o 247.9668 2.165692 615.0778       10.74013      613.0942       15.16795      616.9907       15.21046      247.5740 3.063317 248.3595 3.062186 -0.7855225     4.331384 
1 1 1 5  10 10 o 338.5468 2.703724 1146.983       18.30639      1163.986       26.26231      1129.272       25.51843      341.1084 3.849555 335.9851 3.797554 5.123322       5.407448 
1 1 1 5  10 11 o 97.91397 1.831815 95.85353       3.586891      96.98705       5.076765      94.79085       5.068973      98.47471 2.577700 97.35324 2.603392 1.121468       3.663630 
1 1 1 5  10 12 o 327.7743 2.643961 1074.721       17.33581      1090.307       24.85957      1059.135       24.16529      330.1505 3.764884 325.3981 3.713189 4.752472       5.287923 
1 1 1 5  10 13 o 260.1661 2.447732 677.0674       12.72379      685.2854       16.79739      668.8493       19.12111      261.7499 3.208672 258.5824 3.697297 3.167572       4.895465 
1 1 1 5  10 14 o 563.1593 4.207065 3174.573       47.38834      3176.698       67.09039      3171.739       66.93452      563.3789 5.954286 562.9398 5.945088 0.4391479      8.414130 
1 1 1 5  10 15 o 493.8217 4.021277 2440.616       39.73706      2454.785       60.21132      2425.739       51.85867      495.2676 6.078665 492.3759 5.266168 2.891724       8.042555 
1 1 1 5  10 16 o 331.4140 3.801981 1099.517       25.19963      1109.436       35.74139      1088.890       35.53594      332.9631 5.367169 329.8649 5.386439 3.098236       7.603961 
1 1 1 5  10 17 o 385.8109 3.476570 1489.874       26.82907      1493.416       37.95176      1485.623       37.92342      386.3158 4.912013 385.3060 4.921208 1.009796       6.953140 
1 1 1 5  10 18 o 175.9104 2.403935 309.8059       8.558097      329.2175       14.47367      290.4652       9.146112      181.4062 3.989298 170.4146 2.683489 10.99167       4.807870 
1 1 1 5  10 19 o 70.68762 3.295222 50.00961       4.684991      51.65322       7.736294      48.37309       5.285050      71.83936 5.384440 69.53590 3.800231 2.303459       6.590444 
1 1 1 5  10 20 o 239.6123 2.515761 574.4835       12.07202      587.0939       18.29222      561.8731       15.76305      242.2353 3.775714 236.9893 3.325688 5.245956       5.031522 
1 1 1 5  10 21 o 227.9587 2.349357 519.9327       10.72596      527.0173       16.69112      512.8482       13.47475      229.5007 3.636399 226.4167 2.975654 3.084000       4.698714 
1 1 1 5  10 22 f 304.3581 3.088160 927.3634       18.89441      952.8677       31.63237      901.8591       20.67971      308.4917 5.126940 300.2245 3.444040 8.267151       6.176320 
1 1 1 5  10 23 o 516.5530 4.043615 2673.697       41.64988      2606.394       65.07130      2741.708       51.99327      509.8902 6.380913 523.2159 4.968625 -13.32578      8.087230 
1 1 1 5  10 24 o 245.3140 2.292556 602.4674       11.29981      619.4702       18.47642      585.5354       13.00717      248.7313 3.714134 241.8967 2.688581 6.834595       4.585112 
1 1 1 5  10 25 o 53.66003 5.694556 31.00894       4.900361      16.75488       9.209873      45.25590       3.359478      40.06963 11.11185 67.25043 2.497738 -27.18080      11.38911 
1 1 1 5  10 26 o 142.7656 1.973801 204.0341       5.659113      210.6936       9.039845      197.4455       6.809639      145.0666 3.115758 140.4647 2.423968 4.601837       3.947603 
1 1 1 5  10 27 o 362.0811 3.501518 1315.595       25.37674      1321.971       45.06462      1309.219       23.35057      362.5980 6.214130 361.5641 3.229105 1.033844       7.003037 
1 1 1 5  10 28 o 142.8952 2.906728 204.9551       8.402238      216.0069       14.47367      193.9741       8.551013      146.6385 4.935153 139.1519 3.072546 7.486572       5.813457 
1 1 1 5  10 29 o 135.0886 3.004946 183.5599       7.948828      168.8241       13.64478      198.2248       8.140111      129.5202 5.267436 140.6571 2.893601 -11.13695      6.009892 
1 1 1 5  10 30 o 254.2649 3.046634 649.5086       15.45842      644.6202       26.51735      654.3969       15.89057      253.0267 5.240031 255.5031 3.109663 -2.476471      6.093269 
1 1 1 5  10 31 o 168.2651 2.775620 284.4434       9.358648      286.9938       16.47150      281.8929       8.883986      168.8093 4.878730 167.7209 2.648443 1.088440       5.551239 
1 1 1 5  10 32 o 42.82835 7.308868 19.54619       6.334267      16.17395       10.09544      22.91133       7.651280      39.05610 11.87319 46.60061 8.526752 -7.544506      14.61774 
1 1 1 5  10 33 o 135.7428 3.607244 186.0394       9.755382      177.9631       14.72871      194.1158       12.79464      132.6811 5.550418 138.8044 4.608873 -6.123322      7.214489 
1 1 1 5  10 34 o 134.8396 3.824856 183.9849       10.25130      174.9167       15.87640      193.1240       12.97175      131.3103 6.045378 138.3690 4.687377 -7.058731      7.649712 
1 1 1 5  10 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  10 36 o 68.63976 5.981472 49.27990       7.906322      40.82099       12.58210      57.73174       9.578268      62.14307 10.12350 75.13644 6.373917 -12.99337      11.96294 
1 1 1 5  10 37 o 44.59808 7.761145 22.99634       7.127024      32.01493       11.53359      13.97775       8.373900      53.52788 11.14165 35.66827 10.80764 17.85960       15.52229 
1 1 1 5  10 38 o 81.86665 4.948910 70.91602       8.210957      88.13139       13.17720      53.77857       9.804973      91.84156 7.173878 71.89175 6.819262 19.94981       9.897820 
1 1 1 5  10 39 o 118.3426 4.002738 145.0201       9.337394      125.1126       13.81481      164.9276       12.56085      109.7619 6.293083 126.9232 4.948207 -17.16138      8.005476 
1 1 1 5  10 40 o 22.11793 7.015481 -1.964537      6.543260      -3.555720      10.49217      -0.3727873     7.821308      22.80226 10.38642 21.43361 9.433459 1.368645       14.03096 
1 1 1 5  10 41 o 38.17384 7.795777 17.14453       6.778466      12.56085       10.93141      21.73530       8.019674      33.13277 12.33641 43.21492 9.534655 -10.08216      15.59155 
1 1 1 5  10 42 o 30.01588 7.599468 10.08127       6.964789      1.986499       11.21479      18.17887       8.260548      23.79723 10.81244 36.23454 10.68171 -12.43731      15.19894 
1 1 1 5  10 43 o 18.16368 5.915087 -4.094143      5.267339      -8.827310      8.317224      0.6371815      6.463206      16.93322 8.173692 19.39415 8.552414 -2.460930      11.83017 
1 1 1 5  10 44 o 48.19646 6.091135 29.38658       5.671865      26.34732       8.338477      32.43292       7.693786      44.16837 9.703032 52.22456 7.366062 -8.056190      12.18227 
1 1 1 5  10 45 f 23.69513 6.278426 5.627233       4.925865      -4.079265      6.952746      15.33090       6.978959      16.03941 7.675883 31.35085 9.937573 -15.31144      12.55685 
1 1 1 5  11 0  o 321.6273 5.224607 1035.756       33.58770      1035.756       33.58770      1035.756       33.58770      321.6273 5.224607 321.6273 5.224607 -0.000000      0.000000 
1 1 1 5  11 1  o 264.3372 3.208853 699.2419       16.96742      708.2392       24.25739      690.3154       23.72605      266.0302 4.559142 262.6441 4.516768 3.386078       6.417706 
1 1 1 5  11 2  o 461.9735 5.005023 2140.233       46.36108      1991.458       61.40152      2289.716       69.47079      445.8837 6.885375 478.0634 7.265855 -32.17972      10.01005 
1 1 1 5  11 3  o 286.2287 2.595459 819.6788       14.84915      827.4717       19.77997      811.8857       22.15329      287.5977 3.438827 284.8596 3.888457 2.738068       5.190917 
1 1 1 5  11 4  o 48.25776 2.861710 23.31515       2.761545      22.34457       3.853269      24.27864       3.957411      47.25618 4.077001 49.25934 4.016915 -2.003155      5.723420 
1 1 1 5  11 5  o 116.8105 1.971734 136.5187       4.597852      140.9111       6.182659      132.1263       6.806097      118.6921 2.604494 114.9289 2.961004 3.763260       3.943467 
1 1 1 5  11 6  o 214.9551 2.170968 462.3356       9.316141      478.2758       12.66712      446.3954       13.66603      218.6654 2.896462 211.2448 3.234644 7.420517       4.341937 
1 1 1 5  11 7  o 453.8488 3.472790 2061.595       31.53319      2009.878       43.54853      2113.312       45.61721      448.1588 4.858605 459.5388 4.963369 -11.38004      6.945580 
1 1 1 5  11 8  o 254.0899 2.225881 645.7538       11.31397      645.3996       15.99684      646.1788       15.99684      254.0132 3.148821 254.1665 3.146921 -0.1533356     4.451762 
1 1 1 5  11 9  o 242.6785 2.179316 589.0777       10.57718      594.7453       15.11836      583.4100       14.79956      243.8456 3.099986 241.5114 3.063946 2.334259       4.358633 
1 1 1 5  11 10 o 486.0351 3.689823 2363.395       35.86891      2386.774       51.22106      2340.725       50.22923      488.4009 5.243752 483.6693 5.192519 4.731659       7.379646 
1 1 1 5  11 11 o 591.5005 4.414529 3501.877       52.21998      3479.207       73.46645      3523.839       74.24575      589.6165 6.230020 593.3845 6.256125 -3.767944      8.829058 
1 1 1 5  11 12 o 269.2146 2.967998 725.4547       15.92599      694.1411       23.86066      756.6265       21.10478      263.4056 4.529261 275.0235 3.836904 -11.61789      5.935995 
1 1 1 5  11 13 o 224.1757 2.681317 502.7882       11.98701      517.0281       15.37340      488.6192       18.39849      227.3508 3.380987 221.0006 4.162544 6.350220       5.362634 
1 1 1 5  11 14 o 322.0758 3.339663 1037.882       21.48026      1054.885       27.77131      1020.879       32.78006      324.7277 4.276092 319.4239 5.131124 5.303833       6.679326 
1 1 1 5  11 15 o 412.8756 3.698069 1705.952       30.54136      1741.375       43.83191      1670.529       42.54253      417.1614 5.253592 408.5899 5.206018 8.571472       7.396138 
1 1 1 5  11 16 o 332.4900 3.375360 1106.602       22.49334      1093.849       25.42633      1118.645       37.10162      330.6645 3.844733 334.3154 5.548895 -3.650879      6.750719 
1 1 1 5  11 17 o 285.9377 2.515349 817.5534       14.38866      807.6351       20.17671      828.1802       20.50968      284.1422 3.550460 287.7332 3.564010 -3.591003      5.030699 
1 1 1 5  11 18 o 275.9617 2.523560 762.2941       13.92816      781.4223       20.07044      742.4575       19.32656      279.4898 3.590549 272.4337 3.547022 7.056183       5.047119 
1 1 1 5  11 19 o 279.9992 2.467972 784.9646       13.82898      755.2096       19.12820      814.0111       19.96417      274.7516 3.480998 285.2467 3.499456 -10.49512      4.935944 
1 1 1 5  11 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 21 o 111.5140 2.046263 124.4041       4.558887      123.5540       7.396237      125.2543       5.331100      111.1259 3.327863 111.9021 2.382036 -0.7762146     4.092526 
1 1 1 5  11 22 o 232.9369 2.359309 543.0283       11.03059      558.5434       17.51293      527.5132       13.41099      236.2491 3.706453 229.6246 2.920199 6.624527       4.718618 
1 1 1 5  11 23 o 58.45099 2.610887 34.61496       3.110103      42.11745       5.070390      27.11245       3.603894      64.85771 3.908857 52.04427 3.462335 12.81344       5.221774 
1 1 1 5  11 24 f 265.0627 2.421150 703.2801       12.81589      696.2664       20.48843      710.5771       15.40174      263.6700 3.885241 266.4554 2.890116 -2.785492      4.842299 
1 1 1 5  11 25 o 124.2494 1.867444 154.6550       4.677198      164.3608       7.545012      144.9492       5.532300      128.1401 2.944047 120.3587 2.298255 7.781410       3.734889 
1 1 1 5  11 26 o 169.4830 1.919075 287.5606       6.510672      289.1192       10.55593      285.9312       7.622942      169.9275 3.106010 169.0386 2.254793 0.8888855      3.838150 
1 1 1 5  11 27 o 34.80332 3.033643 12.22788       2.109061      14.19737       3.137024      10.25838       2.819638      37.62738 4.168539 31.97926 4.408541 5.648121       6.067286 
1 1 1 5  11 28 o 112.0403 3.030972 126.0336       6.839394      128.7965       12.72379      123.2706       5.018672      113.1130 5.624375 110.9677 2.261322 2.145317       6.061944 
1 1 1 5  11 29 f 83.48527 3.649951 70.11548       6.040260      68.79067       11.27147      71.48279       4.344226      82.48867 6.832131 84.48186 2.571100 -1.993195      7.299902 
1 1 1 5  11 30 o 83.80109 3.772548 70.98687       6.058680      63.62605       11.25730      78.28393       4.481666      79.20403 7.106518 88.39816 2.534932 -9.194122      7.545096 
1 1 1 5  11 31 f 76.50803 4.003962 59.08488       6.074974      58.09305       11.24313      60.07671       4.604228      75.60738 7.435207 77.40868 2.973974 -1.801300      8.007923 
1 1 1 5  11 32 o 46.45663 4.779270 0.000000       0.000000      ?              ?             21.75655       4.440576      ?        ?        46.45663 4.779270 ?              ?        
1 1 1 5  11 33 o 155.6269 3.603912 244.7701       11.25730      255.8219       17.32165      233.7891       14.37449      159.0186 5.446424 152.2352 4.721145 6.783386       7.207825 
1 1 1 5  11 34 o 42.12672 8.988640 19.01485       8.458915      17.89549       13.77939      20.13420       9.812057      41.35531 13.99449 42.89814 11.28436 -1.542831      17.97728 
1 1 1 5  11 35 o 95.27354 5.097890 93.44479       9.599521      87.91887       15.46550      98.97072       11.37065      91.97202 8.407722 98.57508 5.767508 -6.603065      10.19578 
1 1 1 5  11 36 o 39.25283 8.259347 16.78322       7.155363      15.63553       11.54068      17.93800       8.473083      38.20024 12.80729 40.30541 10.43267 -2.105167      16.51869 
1 1 1 5  11 37 o 25.01660 7.452172 0.3073264      6.772799      -4.652403      10.86765      5.266631       8.083434      23.41399 10.63976 26.61921 10.43719 -3.205223      14.90434 
1 1 1 5  11 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  11 39 o 143.3542 3.725191 211.8979       10.69762      216.0778       16.29439      207.7180       13.85023      144.4535 5.640014 142.2549 4.868104 2.198593       7.450382 
1 1 1 5  11 40 o 68.60162 5.556133 51.36984       7.552096      48.41560       11.62569      54.33117       9.634944      65.87255 8.824384 71.33069 6.753716 -5.458138      11.11227 
1 1 1 5  11 41 o 32.12747 8.202529 12.92216       7.899237      28.34516       12.46167      -2.502252      9.705790      43.21124 13.20244 21.04370 9.737632 22.16754       16.40506 
1 1 1 5  11 42 o 23.28148 6.968171 -1.043550      6.593561      -11.34231      10.24421      9.252379       8.303054      18.50356 8.956930 28.05939 10.67684 -9.555838      13.93634 
1 1 1 5  11 43 o 97.19643 3.873758 102.5838       7.502505      98.75818       11.20062      106.4095       9.982086      94.75341 5.910406 99.63944 5.009104 -4.886032      7.747517 
1 1 1 5  11 44 o 35.69178 7.091918 18.53310       5.542218      14.53035       8.352647      22.52877       7.289969      30.43689 10.84935 40.94668 9.136343 -10.50979      14.18384 
1 1 1 5  12 0  o 131.3869 2.684530 172.8622       7.047678      172.8622       7.047678      172.8622       7.047678      131.3869 2.684530 131.3869 2.684530 -0.000000      0.000000 
1 1 1 5  12 1  o 346.1163 3.012525 1198.700       20.84974      1193.741       31.37024      1203.660       27.46668      345.3859 4.541332 346.8466 3.959485 -1.460693      6.025049 
1 1 1 5  12 2  o 301.9776 2.919977 912.4859       17.64045      896.9000       24.48409      928.0718       25.39800      299.4001 4.088859 304.5552 4.169687 -5.155090      5.839953 
1 1 1 5  12 3  o 144.7901 2.185494 209.7726       6.327183      219.0533       9.054014      200.5627       8.841478      147.9823 3.059155 141.5980 3.122035 6.384247       4.370988 
1 1 1 5  12 4  o 515.1097 4.510519 2656.694       46.46735      2655.277       65.62389      2658.111       65.80808      514.9731 6.371584 515.2463 6.386080 -0.2732544     9.021037 
1 1 1 5  12 5  o 507.4514 4.452698 2578.056       45.19214      2597.893       64.26366      2558.219       63.55521      509.4028 6.307745 505.5001 6.286370 3.902649       8.905396 
1 1 1 5  12 6  o 328.1313 2.910517 1076.847       19.09278      1083.931       25.06503      1070.471       28.80565      329.1671 3.807340 327.0955 4.403248 2.071655       5.821034 
1 1 1 5  12 7  o 523.3704 3.956624 2741.708       41.42318      2769.338       59.14864      2713.370       57.99386      526.0399 5.622068 520.7010 5.568826 5.338867       7.913247 
1 1 1 5  12 8  o 451.7693 4.002435 2042.466       36.16647      2060.178       51.40526      2024.755       50.88101      453.7278 5.664769 449.8107 5.655824 3.917084       8.004870 
1 1 1 5  12 9  o 430.8622 3.846424 1857.561       33.14846      1854.727       46.65864      1860.395       47.09079      430.5345 5.418686 431.1898 5.460563 -0.6553040     7.692848 
1 1 1 5  12 10 o 211.4123 2.655187 447.7415       11.32106      482.1014       18.10094      413.3816       13.60936      219.5300 4.122659 203.2946 3.347201 16.23534       5.310374 
1 1 1 5  12 11 o 363.6836 3.347170 1323.388       24.34949      1338.974       34.63621      1307.802       34.22531      365.8252 4.733984 361.5419 4.733242 4.283325       6.694339 
1 1 1 5  12 12 o 360.8999 3.324790 1302.843       24.00235      1312.761       33.98443      1293.633       33.89233      362.2247 4.691070 359.5751 4.712831 2.649597       6.649580 
1 1 1 5  12 13 o 263.0506 2.571531 692.2283       13.54560      703.4218       20.95601      680.9639       17.17996      265.1779 3.951311 260.9234 3.292146 4.254486       5.143062 
1 1 1 5  12 14 o 104.3190 2.110157 108.8890       4.399486      113.1397       6.214540      104.6383       6.230125      106.3564 2.921562 102.2817 3.045573 4.074783       4.220313 
1 1 1 5  12 15 o 68.26831 4.059481 47.82050       5.907779      62.56338       10.54885      33.07053       5.318347      79.04710 6.672508 57.48953 4.625492 21.55756       8.118961 
1 1 1 5  12 16 o 296.1519 2.595178 877.0634       15.37340      889.8155       21.99743      865.0197       21.48026      298.2439 3.687826 294.0600 3.652359 4.183838       5.190355 
1 1 1 5  12 17 o 434.0463 3.434659 1885.899       29.83290      1940.449       43.30766      1830.639       41.03353      440.3638 4.917259 427.7289 4.796675 12.63492       6.869318 
1 1 1 5  12 18 o 389.0224 3.145957 1514.670       24.48409      1555.052       35.41550      1474.288       33.82149      394.2066 4.491998 383.8383 4.405695 10.36829       6.291915 
1 1 1 5  12 19 o 240.3128 2.304503 577.8842       11.08019      593.0450       15.86932      562.6524       15.45842      243.4733 3.258945 237.1524 3.259174 6.320862       4.609006 
1 1 1 5  12 20 o 77.75071 3.121214 61.30233       4.660196      75.23758       5.946036      47.37417       7.176617      86.71595 3.428456 68.78547 5.216666 17.93048       6.242429 
1 1 1 5  12 21 o 257.9893 2.551456 666.0155       13.16303      663.6776       20.27589      668.3534       16.78322      257.5207 3.936749 258.4579 3.246800 -0.9372253     5.102911 
1 1 1 5  12 22 f 276.7336 2.527472 766.5449       14.02734      780.0054       22.72005      753.0842       16.45025      279.1277 4.069831 274.3395 2.998156 4.788208       5.054945 
1 1 1 5  12 23 o 297.8303 2.982592 889.1071       17.88132      915.3197       30.64054      862.1858       18.44808      302.1698 5.070087 293.4908 3.142872 8.678955       5.965185 
1 1 1 5  12 24 o 393.1134 3.408980 1549.384       26.76531      1517.504       40.02044      1581.264       35.55011      389.0011 5.144001 397.2257 4.474800 -8.224670      6.817960 
1 1 1 5  12 25 o 42.67324 3.115043 18.66770       2.669446      24.19363       4.222373      13.14886       3.267380      49.13079 4.297074 36.21569 4.511000 12.91510       6.230085 
1 1 1 5  12 26 o 226.6959 2.236457 514.6902       10.10961      504.7719       16.23063      524.6086       12.05785      224.4618 3.615455 228.9299 2.633524 -4.468140      4.472914 
1 1 1 5  12 27 o 169.3890 2.089586 287.4897       7.105771      297.8331       11.23604      277.1463       8.706873      172.4073 3.258575 166.3707 2.616709 6.036682       4.179172 
1 1 1 5  12 28 o 190.5016 2.098974 363.6483       7.984251      355.6428       12.19245      371.7247       10.30089      188.3592 3.236490 192.6441 2.673555 -4.284836      4.197948 
1 1 1 5  12 29 o 81.10986 1.974367 67.13998       3.194409      85.15590       4.918072      49.13113       4.077848      92.19920 2.667090 70.02051 2.911896 22.17870       3.948735 
1 1 1 5  12 30 o 58.31070 5.279105 35.08961       5.654862      31.79531       10.63386      38.38392       3.853269      54.75631 10.08847 61.86509 3.114252 -7.108780      10.55821 
1 1 1 5  12 31 o 40.16144 6.374866 16.36524       5.464997      13.48892       10.40007      19.24155       3.360187      36.56284 12.15793 43.76004 3.839332 -7.197208      12.74973 
1 1 1 5  12 32 o 130.4186 3.037071 171.2328       8.012589      177.6797       14.82081      164.7859       6.101895      132.5919 5.588881 128.2452 2.378995 4.346710       6.074143 
1 1 1 5  12 33 o 57.08715 6.859922 34.30323       7.644195      35.11087       12.39791      33.48852       8.933578      56.98312 11.27979 57.19118 7.810275 -0.2080612     13.71984 
1 1 1 5  12 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 35 o 148.8255 3.867505 225.0751       11.49109      220.8244       17.47751      229.3967       14.91999      147.1961 5.936809 150.4550 4.958293 -3.258835      7.735009 
1 1 1 5  12 36 o 76.40374 6.546367 0.000000       0.000000      ?              ?             60.01295       10.00334      ?        ?        76.40374 6.546367 ?              ?        
1 1 1 5  12 37 o 22.22072 6.903924 -5.260962      6.658739      -14.21863      10.57718      3.697410       8.090520      19.22721 9.265353 25.21423 10.23767 -5.987020      13.80785 
1 1 1 5  12 38 o 46.98363 7.617131 25.02960       7.353730      17.34290       11.48400      32.71630       9.188620      38.60274 12.77580 55.36451 8.298293 -16.76178      15.23426 
1 1 1 5  12 39 o 60.23162 6.600060 40.30382       7.615856      37.48418       11.98701      43.12346       9.394071      56.77124 10.94798 63.69201 7.374608 -6.920765      13.20012 
1 1 1 5  12 40 o 55.33599 7.289894 36.01769       7.877984      36.15229       12.23496      35.88308       9.925409      54.04175 11.65221 56.63023 8.763350 -2.588478      14.57979 
1 1 1 5  12 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  12 42 o 69.01459 8.421330 65.56013       10.80389      52.83634       16.65570      78.28393       13.77230      57.17207 14.53084 80.85709 8.516446 -23.68502      16.84266 
1 1 1 5  12 43 o 42.68513 7.039481 24.49118       5.936826      22.47918       8.876901      26.49610       7.885069      39.69425 10.86753 45.67601 8.950635 -5.981762      14.07896 
1 1 1 5  12 44 o 83.64754 4.312186 80.90520       7.119940      67.94053       10.09544      93.94070       10.03168      75.83755 6.655963 91.45753 5.484336 -15.61999      8.624372 
1 1 1 5  13 0  o 208.7266 2.949147 435.9812       12.30581      435.9812       12.30581      435.9812       12.30581      208.7266 2.949147 208.7266 2.949147 0.000000       0.000000 
1 1 1 5  13 1  o 277.0067 2.416942 767.2533       13.38974      777.8801       19.13528      757.3350       18.73855      278.8600 3.430984 275.1534 3.405110 3.706573       4.833883 
1 1 1 5  13 2  o 294.2999 2.511968 866.4365       14.78539      874.2295       21.06227      858.6436       20.75764      295.6232 3.562351 292.9767 3.542541 2.646515       5.023937 
1 1 1 5  13 3  o 339.2824 2.776561 1151.234       18.83773      1152.651       26.68029      1150.526       26.60945      339.4388 3.930060 339.1259 3.923240 0.3128662      5.553123 
1 1 1 5  13 4  o 454.8730 4.052510 2070.805       36.86783      2082.140       52.25541      2059.469       52.02161      456.1182 5.728275 453.6278 5.733953 2.490326       8.105021 
1 1 1 5  13 5  o 581.8428 5.625972 3390.650       65.39010      3339.642       99.89171      3441.659       84.37660      577.3870 8.650325 586.2986 7.195702 -8.911621      11.25194 
1 1 1 5  13 6  o 273.0153 3.411187 745.9998       18.62520      772.9209       26.60237      719.0786       26.07102      277.9442 4.785558 268.0864 4.862431 9.857849       6.822375 
1 1 1 5  13 7  f 168.0453 2.822735 282.6014       9.479085      292.0947       13.15595      273.0373       13.64478      170.8815 3.849437 165.2092 4.129547 5.672318       5.645469 
1 1 1 5  13 8  o 497.9002 5.384935 2482.415       53.61563      2549.718       77.36294      2415.112       74.31659      504.6471 7.665052 491.1533 7.565519 13.49380       10.76987 
1 1 1 5  13 9  o 609.0560 5.278374 3714.413       64.30617      3682.532       90.11507      3745.584       91.74451      606.4745 7.429420 611.6375 7.499909 -5.162964      10.55675 
1 1 1 5  13 10 o 594.7959 4.836625 3542.259       57.56879      3516.755       74.67081      3567.055       87.63548      592.7357 6.298830 596.8562 7.341423 -4.120544      9.673249 
1 1 1 5  13 11 o 540.0791 4.434368 2919.530       47.93385      2894.026       62.08163      2945.034       73.04137      537.7571 5.772274 542.4012 6.733151 -4.644104      8.868736 
1 1 1 5  13 12 o 139.7157 2.442787 195.4619       6.893235      182.7097       7.842561      208.2140       11.34231      135.1583 2.901250 144.2731 3.930849 -9.114716      4.885573 
1 1 1 5  13 13 o 753.6124 5.571882 5688.160       84.02238      5581.892       116.6112      5795.135       120.9327      746.5593 7.809906 760.6655 7.949140 -14.10614      11.14376 
1 1 1 5  13 14 o 216.3233 2.239193 468.2158       9.691620      485.5728       14.00609      450.9296       13.39682      220.3256 3.178499 212.3210 3.154851 8.004547       4.478386 
1 1 1 5  13 15 o 165.9123 2.696733 275.3752       8.947746      275.3752       12.42624      275.3752       12.87965      165.9135 3.744797 165.9112 3.881491 0.2304077E-02  5.393466 
1 1 1 5  13 16 o 98.15775 3.206060 96.98705       6.336393      82.39294       8.005506      111.5103       9.826226      90.74725 4.410881 105.5683 4.653969 -14.82101      6.412121 
1 1 1 5  13 17 o 171.8189 2.827659 295.4244       9.712874      291.1028       14.11236      299.6751       13.34723      170.5691 4.136847 173.0687 3.856050 -2.499619      5.655318 
1 1 1 5  13 18 o 104.1874 2.570112 108.6765       5.333934      114.2024       7.083809      103.1506       7.977167      106.8425 3.315070 101.5324 3.928386 5.310165       5.140224 
1 1 1 5  13 19 o 422.6060 3.339231 1787.424       28.22472      1789.549       39.98502      1786.007       39.84333      422.8148 4.728432 422.3973 4.716333 0.4175415      6.678463 
1 1 1 5  13 20 o 291.6169 2.716734 851.5590       15.87640      877.0634       24.22905      825.3463       20.53093      296.0334 4.092283 287.2003 3.574324 8.833191       5.433467 
1 1 1 5  13 21 o 250.9427 2.338600 630.1679       11.73905      621.8790       16.43608      638.4567       16.76197      249.2928 3.296541 252.5927 3.317984 -3.299820      4.677200 
1 1 1 5  13 22 o 227.8077 2.227612 519.4368       10.15211      516.5322       14.20446      522.3415       14.50201      227.1723 3.126362 228.4431 3.174097 -1.270782      4.455225 
1 1 1 5  13 23 o 73.30199 2.744590 53.83525       4.045968      55.89685       6.578683      51.77366       4.712621      74.68976 4.404006 71.91423 3.276557 2.775528       5.489180 
1 1 1 5  13 24 o 174.7315 2.171950 305.9095       7.651280      323.6208       12.38374      288.1982       8.983169      179.7690 3.444348 169.6940 2.646873 10.07503       4.343900 
1 1 1 5  13 25 o 180.3219 2.263998 325.6753       8.196787      331.9097       13.82190      319.3701       8.813140      182.0075 3.797066 178.6362 2.466784 3.371323       4.527995 
1 1 1 5  13 26 o 113.3749 2.049188 128.9382       4.685700      139.5650       7.424574      118.3115       5.713664      118.0409 3.144915 108.7089 2.627965 9.332062       4.098377 
1 1 1 5  13 27 o 25.34619 4.510984 6.802555       2.547593      11.61861       3.932616      1.984373       3.239750      33.43488 6.107895 17.25750 6.639994 16.17738       9.021968 
1 1 1 5  13 28 o 91.45522 1.920774 83.80984       3.491250      79.34660       5.400528      88.34394       4.424990      88.98029 3.034677 93.93013 2.355469 -4.949837      3.841548 
1 1 1 5  13 29 o 178.0038 2.026751 317.5989       7.226208      320.5744       11.80281      314.6234       8.338477      178.7702 3.301111 177.2374 2.352347 1.532791       4.053501 
1 1 1 5  13 30 o 58.20774 1.993200 33.97026       2.322305      34.88417       3.412612      33.04927       3.150485      58.99039 2.892515 57.42509 2.743126 1.565304       3.986400 
1 1 1 5  13 31 o 86.95143 2.717249 0.000000       0.000000      ?              ?             75.80434       4.725374      ?        ?        86.95143 2.717249 ?              ?        
1 1 1 5  13 32 o 149.8508 3.079782 226.2086       9.195704      224.5792       16.71946      227.8381       7.651280      148.9477 5.612527 150.7539 2.537672 -1.806183      6.159565 
1 1 1 5  13 33 o 36.06820 6.549454 9.762465       6.679992      0.6162822      12.83715      18.90858       3.712287      28.82065 12.37816 43.31576 4.285146 -14.49511      13.09891 
1 1 1 5  13 34 o 100.4742 5.230979 104.1424       10.52759      106.4095       16.47150      101.8045       13.12053      101.2694 8.132515 99.67890 6.581396 1.590538       10.46196 
1 1 1 5  13 35 o 41.70668 8.406835 19.80123       7.608772      27.38166       12.24205      12.22079       9.032760      49.24725 12.42247 34.16611 11.33057 15.08115       16.81367 
1 1 1 5  13 36 o 34.65816 8.419530 12.41208       7.183701      11.31397       11.34940      13.51017       8.820225      34.13290 12.59760 35.18341 11.17383 -1.050514      16.83906 
1 1 1 5  13 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  13 38 o 75.81868 5.575178 61.11813       8.359732      57.69631       13.23388      64.53288       10.20879      72.97033 9.067986 78.66702 6.488609 -5.696693      11.15036 
1 1 1 5  13 39 o 91.74628 4.851835 89.33577       8.848563      86.36028       13.72271      92.38211       11.18645      89.53983 7.662909 93.95271 5.953237 -4.412880      9.703670 
1 1 1 5  13 40 o 122.4236 4.275949 158.1973       10.51342      171.2328       16.03226      145.2326       13.60227      127.1922 6.302376 117.6551 5.780573 9.537148       8.551898 
1 1 1 5  13 41 o 52.76608 7.745295 36.66946       8.005506      31.81657       12.47583      41.52944       10.04585      46.24560 12.96838 59.28656 8.472281 -13.04095      15.49059 
1 1 1 5  13 42 o 44.98402 7.226153 26.77948       6.481626      35.04002       9.755382      18.51184       8.536844      53.00917 9.550117 36.95886 10.84732 16.05030       14.45231 
1 1 1 5  13 43 o 42.57087 7.288402 25.43342       6.155738      26.17729       9.238212      24.68954       8.140111      42.48818 10.83567 42.65356 9.750464 -0.1653786     14.57680 
1 1 1 5  13 44 o 20.26788 6.629206 1.801593       6.404404      1.343225       7.764632      2.260670       10.18754      19.38533 8.864310 21.15044 9.859487 -1.765108      13.25841 
1 1 1 5  14 0  o 19.09781 10.46911 5.156112       5.646361      5.156112       5.646361      5.156112       5.646361      19.09781 10.46911 19.09781 10.46911 0.000000       0.000000 
1 1 1 5  14 1  o 794.4677 6.771708 6325.766       107.6138      6462.497       155.2926      6188.327       149.0583      803.0620 9.668782 785.8734 9.483605 17.18860       13.54342 
1 1 1 5  14 2  o 451.2125 4.052485 2037.507       36.58445      2099.851       53.04887      1975.872       50.39926      458.0734 5.790434 444.3516 5.671102 13.72180       8.104969 
1 1 1 5  14 3  o 631.9979 5.461161 3999.919       69.02446      4065.805       99.04156      3933.324       96.20776      637.2268 7.771296 626.7690 7.674898 10.45782       10.92232 
1 1 1 5  14 4  f 407.3325 3.726048 1660.611       30.35716      1686.824       43.33599      1633.690       42.52128      410.5913 5.277266 404.0736 5.261576 6.517731       7.452095 
1 1 1 5  14 5  o 480.3304 3.706026 2308.844       35.60678      2325.847       50.70389      2291.133       49.99545      482.1353 5.258264 478.5256 5.223905 3.609772       7.412053 
1 1 1 5  14 6  o 502.0771 3.846529 2522.088       38.63188      2553.969       55.31592      2490.917       53.93444      505.2128 5.474517 498.9414 5.404887 6.271423       7.693058 
1 1 1 5  14 7  o 34.71245 5.082079 12.51834       3.413321      11.92324       4.823140      13.11344       4.830933      33.84770 7.331533 35.57720 7.039797 -1.729500      10.16416 
1 1 1 5  14 8  o 314.4265 2.678185 988.9987       16.83990      996.7917       24.02360      981.2057       23.61270      315.6648 3.805239 313.1882 3.769730 2.476563       5.356371 
1 1 1 5  14 9  o 147.2578 2.292529 216.9988       6.727458      207.8598       10.13795      226.1378       8.848563      144.1523 3.516402 150.3633 2.942394 -6.211075      4.585059 
1 1 1 5  14 10 o 307.5252 3.099496 946.4916       19.06444      934.4479       26.72989      957.8268       27.19038      305.6257 4.372977 309.4247 4.393698 -3.799042      6.198993 
1 1 1 5  14 11 o 589.5512 5.151268 3479.915       60.74974      3530.924       87.06872      3428.907       84.73083      593.8680 7.330647 585.2344 7.239051 8.633545       10.30254 
1 1 1 5  14 12 o 444.8234 5.017462 1981.540       44.65372      2021.921       64.62497      1941.158       61.63530      449.3483 7.190966 440.2984 6.999264 9.049896       10.03492 
1 1 1 5  14 13 o 343.7894 3.139480 1182.406       21.55110      1212.870       28.75606      1152.651       32.10704      348.1789 4.129494 339.4000 4.729970 8.778961       6.278960 
1 1 1 5  14 14 o 430.3376 3.978562 1854.018       34.24656      1894.400       48.96111      1812.928       47.89134      435.0666 5.626852 425.6085 5.626220 9.458130       7.957123 
1 1 1 5  14 15 o 299.7614 3.014209 899.0253       18.05844      907.5267       23.59853      890.5239       27.33916      301.1900 3.917548 298.3327 4.581991 2.857330       6.028419 
1 1 1 5  14 16 o 440.0827 3.512254 1938.324       30.91683      1944.700       43.87442      1931.948       43.56270      440.8058 4.976615 439.3596 4.957522 1.446259       7.024509 
1 1 1 5  14 17 o 37.74414 5.629681 14.96250       4.312346      23.20180       5.839059      6.720373       6.347020      48.13370 6.065459 27.35457 9.485959 20.77913       11.25936 
1 1 1 5  14 18 o 232.6374 2.336474 541.4697       10.87473      540.3362       15.21046      542.6032       15.53635      232.3950 3.272544 232.8798 3.335701 -0.4847870     4.672948 
1 1 1 5  14 19 o 252.9138 2.405494 640.0862       12.17120      654.3969       17.47042      625.7755       16.94617      255.7408 3.415650 250.0867 3.388058 5.654099       4.810988 
1 1 1 5  14 20 o 62.47345 3.183117 39.34032       3.992126      32.89342       5.151153      45.78724       6.099770      57.31982 4.493344 67.62709 4.509857 -10.30727      6.366235 
1 1 1 5  14 21 o 111.1929 2.355569 123.8374       5.211371      131.4886       6.905280      116.2569       7.807138      114.6239 3.012146 107.7619 3.622402 6.862022       4.711138 
1 1 1 5  14 22 o 172.6972 2.086138 298.5416       7.204955      305.2719       10.16628      291.8113       10.20879      174.6461 2.910538 170.7484 2.989426 3.897781       4.172277 
1 1 1 5  14 23 o 201.2831 2.314073 405.6595       9.309056      411.3980       12.24913      399.9211       14.01318      202.7249 3.021122 199.8414 3.506074 2.883453       4.628146 
1 1 1 5  14 24 o 84.18586 2.405944 70.98687       4.027548      68.25933       6.418573      73.74983       4.866355      82.53857 3.888226 85.83315 2.834776 -3.294571      4.811887 
1 1 1 5  14 25 o 109.4052 2.148683 119.8700       4.726790      124.4041       7.700871      115.4068       5.486959      111.4359 3.455292 107.3745 2.555057 4.061417       4.297366 
1 1 1 5  14 26 f 236.3614 2.371856 559.9603       11.24313      569.7369       18.35599      550.1837       12.98592      238.3412 3.850779 234.3815 2.770253 3.959656       4.743711 
1 1 1 5  14 27 o 202.3138 2.213361 410.2644       8.976085      416.0737       14.59411      404.4551       10.44966      203.6749 3.582696 200.9527 2.600031 2.722214       4.426723 
1 1 1 5  14 28 o 14.99815 4.553539 -0.2029006     2.460453      -0.2495876     3.742042      -0.1562845     3.195117      15.55078 6.681128 14.44551 6.188813 1.105268       9.107079 
1 1 1 5  14 29 o 106.9080 1.954376 114.5566       4.182700      115.5485       6.670074      113.5648       5.050553      107.3387 3.107021 106.4773 2.371657 0.8613968      3.908751 
1 1 1 5  14 30 o 21.27064 4.636426 4.392401       2.269879      2.581598       3.332557      6.203912       3.083182      18.24842 6.808073 24.29286 6.295707 -6.044437      9.272852 
1 1 1 5  14 31 o 66.70026 1.960247 44.72456       2.621980      49.30824       3.936867      40.14088       3.463621      70.12502 2.807034 63.27550 2.736937 6.849525       3.920493 
1 1 1 5  14 32 o 156.5706 3.247106 247.1788       10.18754      250.3669       17.75380      243.9908       10.01042      157.2531 5.644975 155.8882 3.210771 1.364990       6.494213 
1 1 1 5  14 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 34 o 215.1343 3.223676 468.0741       13.79356      462.1939       24.48409      473.8834       12.70963      213.0846 5.745158 217.1840 2.926004 -4.099426      6.447351 
1 1 1 5  14 35 o 106.8927 4.494276 117.4613       9.493254      105.5593       14.38866      129.4341       12.37665      101.1059 7.115634 112.6794 5.491978 -11.57345      8.988552 
1 1 1 5  14 36 o 57.89289 7.059349 36.67655       7.800055      31.66071       12.02951      41.69239       9.932493      52.69810 11.72048 63.08768 7.871976 -10.38958      14.11870 
1 1 1 5  14 37 o 121.0208 5.382930 155.2926       13.08510      143.6740       16.83990      166.9112       20.02793      116.8345 7.206730 125.2071 7.997922 -8.372559      10.76586 
1 1 1 5  14 38 f 42.13357 8.614734 21.40233       7.785885      20.38216       12.10744      22.42250       9.783719      40.75891 13.10640 43.50823 11.18377 -2.749321      17.22947 
1 1 1 5  14 39 o 68.53075 7.319210 54.82000       10.02459      54.16822       13.24805      55.46469       15.05460      68.78609 9.629889 68.27541 11.02491 0.5106812      14.63842 
1 1 1 5  14 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  14 42 o 47.01144 9.370852 35.79099       9.301972      43.64771       14.31781      27.92717       11.88074      52.24751 13.57942 41.77536 12.91708 10.47215       18.74170 
1 1 1 5  14 43 o 30.86325 8.973947 18.48351       8.997337      25.87974       13.95650      11.08727       11.36357      34.88846 13.70534 26.83804 11.58838 8.050421       17.94789 
1 1 1 5  15 0  o 164.4566 4.258156 271.0536       13.98484      271.0536       13.98484      271.0536       13.98484      164.4566 4.258156 164.4566 4.258156 -0.000000      0.000000 
1 1 1 5  15 1  o 359.6717 3.430784 1294.341       24.68246      1314.178       35.65638      1274.505       34.14738      362.4256 4.919131 356.9179 4.783646 5.507690       6.861568 
1 1 1 5  15 2  o 497.6279 4.432061 2478.165       44.11529      2439.908       61.68490      2517.129       63.08055      493.7530 6.246535 501.5027 6.289153 -7.749786      8.864121 
1 1 1 5  15 3  o 186.5795 2.818827 348.2749       10.51342      349.6209       13.74396      346.8580       15.91891      186.9544 3.675754 186.2047 4.274574 0.7497101      5.637655 
1 1 1 5  15 4  o 703.1483 5.666395 4951.370       79.70082      4974.040       121.0744      4928.699       103.7173      704.6821 8.590711 701.6145 7.391334 3.067627       11.33279 
1 1 1 5  15 5  o 51.81554 3.820079 26.86449       3.958828      26.57403       5.573390      27.16204       5.623690      51.53199 5.407699 52.09909 5.397110 -0.5670929     7.640158 
1 1 1 5  15 6  o 206.7722 2.386742 427.6924       9.889987      417.5615       12.78047      437.8940       15.09002      204.3187 3.127582 209.2258 3.606157 -4.907120      4.773483 
1 1 1 5  15 7  o 519.5165 3.986013 2701.327       41.41609      2714.787       58.87234      2687.157       58.27016      520.8441 5.651628 518.1888 5.622483 2.655273       7.972027 
1 1 1 5  15 8  o 106.1772 2.387887 112.7855       5.071097      109.5975       7.059722      115.9736       7.282885      104.6763 3.372169 107.6780 3.381787 -3.001762      4.775773 
1 1 1 5  15 9  o 709.4979 5.283092 5039.926       74.95419      5075.349       106.7637      5004.504       105.2759      711.9883 7.497572 707.0076 7.445178 4.980774       10.56618 
1 1 1 5  15 10 o 167.5597 2.198171 280.8303       7.367898      280.4761       10.38590      281.1845       10.44966      167.4541 3.101119 167.6653 3.116228 -0.2111511     4.396341 
1 1 1 5  15 11 o 197.7385 2.423517 391.1362       9.585353      389.8610       14.33198      392.4114       12.72379      197.4122 3.629963 198.0649 3.212027 -0.6526794     4.847035 
1 1 1 5  15 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 13 o 465.2914 4.003119 2166.446       37.27873      2186.991       56.83200      2146.609       48.25973      467.4299 6.079200 463.1530 5.209913 4.276947       8.006239 
1 1 1 5  15 14 o 214.2310 3.622661 459.2893       15.51509      461.9814       21.39524      456.5972       22.48626      214.8633 4.978805 213.5988 5.263667 1.264435       7.245322 
1 1 1 5  15 15 o 293.2833 3.214630 860.7689       18.85899      865.0197       26.67321      856.5182       26.65904      294.0079 4.536138 292.5587 4.556187 1.449219       6.429260 
1 1 1 5  15 16 o 180.1252 2.756990 324.6834       9.932493      323.1248       13.80772      326.1712       14.28239      179.7043 3.841791 180.5462 3.955327 -0.8419647     5.513980 
1 1 1 5  15 17 o 84.61246 3.208460 71.69532       5.432408      71.41194       6.525549      71.90786       8.685618      84.47696 3.862325 84.74796 5.124382 -0.2710037     6.416919 
1 1 1 5  15 18 f 305.4750 3.141146 934.4479       19.20613      974.1212       27.99093      894.7746       26.29773      311.9598 4.486304 298.9903 4.397757 12.96951       6.282292 
1 1 1 5  15 19 o 89.74718 2.676429 80.69266       4.786300      85.86436       6.545386      75.52096       6.986042      92.63075 3.533053 86.86359 4.021272 5.767159       5.352858 
1 1 1 5  15 20 o 262.2673 2.610814 688.6151       13.69437      690.1029       20.45300      687.1274       18.22138      262.5340 3.895305 262.0007 3.477354 0.5333557      5.221627 
1 1 1 5  15 21 o 123.3094 2.465633 153.0256       6.044511      174.9876       8.657280      131.0636       8.437660      132.2128 3.273995 114.4061 3.687593 17.80671       4.931266 
1 1 1 5  15 22 o 29.62218 5.740782 9.174451       3.533757      7.601687       4.422864      10.75430       5.512463      27.15393 7.756160 32.09043 8.465713 -4.936499      11.48156 
1 1 1 5  15 23 o 86.11725 2.694961 74.38744       4.609187      78.28393       5.711539      70.41302       7.233293      88.42018 3.229771 83.81432 4.315070 4.605858       5.389921 
1 1 1 5  15 24 o 72.48552 2.739349 52.68756       3.951036      55.47886       5.153986      49.90334       5.990668      74.42005 3.462768 70.55099 4.245630 3.869057       5.478698 
1 1 1 5  15 25 o 87.32546 2.103705 76.37110       3.680407      79.13406       5.501128      73.67899       4.889734      88.87878 3.094737 85.77215 2.850421 3.106628       4.207409 
1 1 1 5  15 26 o 160.5069 2.182504 258.2307       7.036344      265.3860       11.56193      251.0753       8.026759      162.6751 3.553689 158.3388 2.534678 4.336258       4.365009 
1 1 1 5  15 27 o 138.1575 2.110094 191.2820       5.830558      191.7071       9.372816      190.8569       6.942119      138.2684 3.389355 138.0466 2.514411 0.2218170      4.220189 
1 1 1 5  15 28 o 154.1129 2.102908 238.2523       6.529091      249.0208       10.78264      227.4839       7.367898      157.5326 3.422350 150.6932 2.444669 6.839432       4.205815 
1 1 1 5  15 29 o 274.8126 2.579028 758.0435       14.11236      733.9561       22.30206      782.8392       17.29331      270.2312 4.126478 279.3940 3.094789 -9.162842      5.158056 
1 1 1 5  15 30 o 94.24072 2.082762 89.12323       3.904278      85.15590       6.066473      93.09056       4.916656      92.10676 3.293175 96.37468 2.550802 -4.267921      4.165524 
1 1 1 5  15 31 o 55.07941 2.616291 31.03727       2.880565      39.13488       4.451202      22.93967       3.657028      62.40141 3.566588 47.75740 3.828756 14.64401       5.232583 
1 1 1 5  15 32 o 69.55988 2.215110 48.60688       3.078223      46.94910       4.425699      50.26465       4.280466      68.36330 3.236896 70.75646 3.024788 -2.393158      4.430219 
1 1 1 5  15 33 o 45.01536 7.710346 20.07752       8.310139      12.96467       15.91183      27.19038       4.791968      38.19782 14.71156 51.83290 4.622516 -13.63509      15.42069 
1 1 1 5  15 34 o 52.00164 6.633321 28.86232       6.655904      27.79256       12.69546      29.93209       4.003461      49.50671 12.74802 54.49658 3.673131 -4.989872      13.26664 
1 1 1 5  15 35 o 68.68800 5.619162 50.08754       6.667239      39.72997       12.49000      60.43802       4.675782      59.88177 10.82583 77.49422 3.016858 -17.61245      11.23832 
1 1 1 5  15 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 37 o 126.4503 6.047636 171.5162       15.30964      175.2001       23.38599      167.8322       19.75872      127.1402 9.196933 125.7604 7.855700 1.379768       12.09527 
1 1 1 5  15 38 o 149.6273 5.805057 242.8573       17.39249      248.9500       26.57403      236.8354       22.43667      150.5870 8.823481 148.6675 7.545921 1.919464       11.61011 
1 1 1 5  15 39 o 95.36418 6.297056 101.6628       12.17829      112.3605       21.13312      90.96520       12.10036      98.14858 10.76588 92.57979 6.535096 5.568794       12.59411 
1 1 1 5  15 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  15 41 o 33.16251 7.744461 14.50909       6.445494      9.450747       9.819141      19.56744       8.352647      28.04590 11.32265 38.27911 10.56902 -10.23321      15.48892 
1 1 1 5  15 42 o 30.74628 7.802835 14.10528       6.147236      15.33798       9.493254      12.87965       7.814223      31.53897 11.53397 29.95359 10.51211 1.585375       15.60567 
1 1 1 5  15 43 o 39.66115 11.31825 25.63887       9.422408      25.63887       9.422408      ?              ?             39.66115 11.31825 ?        ?        ?              ?        
1 1 1 5  16 0  o 543.7754 5.885820 2959.203       63.99445      2959.203       63.99445      2959.203       63.99445      543.7754 5.885820 543.7754 5.885820 0.000000       0.000000 
1 1 1 5  16 1  o 171.1398 2.208630 293.0157       7.559181      298.1165       10.74013      287.8440       10.64095      172.6402 3.110552 169.6394 3.136343 3.000839       4.417260 
1 1 1 5  16 2  o 367.0459 3.037398 1347.475       22.30206      1353.851       31.63946      1341.808       31.42692      367.8657 4.300409 366.2261 4.290645 1.639526       6.074796 
1 1 1 5  16 3  o 432.3729 3.713920 1871.021       32.10704      1875.980       42.23081      1865.354       48.38017      433.0061 4.876469 431.7397 5.602932 1.266357       7.427839 
1 1 1 5  16 4  o 583.1056 5.124573 3404.111       59.74374      3423.239       85.15590      3384.983       83.88069      584.7407 7.281510 581.4705 7.212808 3.270203       10.24915 
1 1 1 5  16 5  o 339.5296 3.359668 1153.359       22.81215      1147.692       32.39042      1159.027       32.13537      338.6944 4.781658 340.3649 4.720724 -1.670532      6.719337 
1 1 1 5  16 6  o 370.8072 3.566598 1375.813       26.45359      1351.726       37.10870      1399.901       37.70380      367.5608 5.047968 374.0536 5.039893 -6.492828      7.133197 
1 1 1 5  16 7  o 346.5386 3.410191 1201.534       23.63395      1211.453       33.93484      1191.616       32.91467      347.9669 4.876160 345.1103 4.768718 2.856598       6.820382 
1 1 1 5  16 8  o 505.4091 4.253289 2556.802       42.96052      2533.424       64.68873      2580.181       56.56279      503.0649 6.429461 507.7531 5.569911 -4.688202      8.506578 
1 1 1 5  16 9  o 265.5928 2.543993 705.6888       13.51726      705.9014       19.21321      705.4055       19.00776      265.6390 3.616414 265.5467 3.578987 0.9231567E-01  5.087986 
1 1 1 5  16 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 11 o 28.85811 6.983364 5.558513       5.516006      12.41208       7.091603      -1.297884      8.451830      34.72691 9.790073 22.98930 9.961122 11.73761       13.96673 
1 1 1 5  16 12 o 402.4903 3.349916 1620.938       26.96367      1616.687       38.05803      1625.188       38.21389      401.9627 4.734025 403.0179 4.740967 -1.055115      6.699832 
1 1 1 5  16 13 o 189.2579 2.694828 358.4058       10.20170      352.2422       13.94233      364.4984       14.90582      187.6417 3.715147 190.8741 3.904622 -3.232376      5.389656 
1 1 1 5  16 14 o 236.5410 3.418014 560.0311       16.15270      563.4317       19.90749      556.5598       25.45467      237.2914 4.194736 235.7906 5.397729 1.500870       6.836029 
1 1 1 5  16 15 o 318.2870 2.837723 1013.794       18.06552      1029.380       25.75931      998.2086       25.33423      320.7337 4.015685 315.8404 4.010608 4.893311       5.675447 
1 1 1 5  16 16 o 403.2511 3.554717 1628.022       28.65688      1618.812       43.17305      1637.232       37.69672      402.0775 5.368747 404.4247 4.660536 -2.347229      7.109433 
1 1 1 5  16 17 o 345.2863 3.182732 1193.741       21.97617      1188.782       33.16971      1197.992       28.82690      344.5962 4.812839 345.9765 4.166021 -1.380310      6.365465 
1 1 1 5  16 18 o 189.3313 2.675302 358.7600       10.13086      361.6646       14.21863      355.8553       14.43116      190.0995 3.739785 188.5631 3.826614 1.536438       5.350605 
1 1 1 5  16 19 o 208.1840 3.182108 434.7060       13.38974      465.1694       21.92658      404.1718       15.35923      215.4484 5.088592 200.9195 3.822236 14.52896       6.364217 
1 1 1 5  16 20 o 102.6902 2.743433 105.6302       5.665489      100.8127       6.840102      110.5185       9.032760      100.3481 3.408186 105.0322 4.299997 -4.684036      5.486866 
1 1 1 5  16 21 o 166.2072 2.905762 277.5714       9.847479      248.3124       10.47092      306.7596       16.67695      157.4847 3.324424 174.9296 4.766762 -17.44490      5.811524 
1 1 1 5  16 22 o 109.1318 2.340763 119.3033       5.113605      117.2488       6.885443      121.2869       7.559181      108.2137 3.181411 110.0500 3.434430 -1.836342      4.681526 
1 1 1 5  16 23 o 94.62533 2.658335 89.90253       4.972623      98.89986       6.465331      80.97604       7.559181      99.37496 3.252998 89.87569 4.205353 9.499268       5.316671 
1 1 1 5  16 24 o 138.9928 2.266999 193.5490       6.303096      190.4318       8.834394      196.6662       8.990252      137.8736 3.203802 140.1119 3.208240 -2.238358      4.533999 
1 1 1 5  16 25 o 267.6548 2.503812 718.3701       13.40391      731.1223       19.09278      705.6888       18.81648      270.0251 3.535371 265.2845 3.546471 4.740509       5.007625 
1 1 1 5  16 26 o 227.3442 2.331647 518.2325       10.60552      504.6302       14.62245      531.9056       15.36632      224.3593 3.258712 230.3291 3.335731 -5.969803      4.663293 
1 1 1 5  16 27 o 19.23282 5.434588 1.921321       3.188033      1.846225       5.061180      1.995709       3.877357      20.11333 8.125339 18.35232 7.219270 1.761011       10.86918 
1 1 1 5  16 28 o 189.2284 2.254909 359.1851       8.494337      348.4874       13.55977      369.9535       10.23713      186.3155 3.638926 192.1412 2.663959 -5.825699      4.509818 
1 1 1 5  16 29 o 135.1944 2.147336 183.4182       5.810013      184.6225       9.301972      182.1430       6.966915      135.5899 3.430187 134.7989 2.584188 0.7909698      4.294672 
1 1 1 5  16 30 o 103.9636 2.216021 108.5348       4.634692      113.6357       7.424574      103.4340       5.548594      106.3633 3.490197 101.5639 2.731577 4.799324       4.432041 
1 1 1 5  16 31 o 93.35851 2.317111 87.56464       4.323681      87.06872       6.654488      87.98971       5.523090      93.07535 3.574785 93.64168 2.949056 -0.5663300     4.634223 
1 1 1 5  16 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 33 f 188.5852 2.362199 357.8390       8.933578      363.3649       14.67912      352.3131       10.17337      189.8474 3.866031 187.3229 2.715462 2.524506       4.724398 
1 1 1 5  16 34 o 30.90280 8.477741 9.472000       8.721042      13.67312       16.95325      5.275840       4.111146      38.79361 15.13463 23.01200 7.644037 15.78161       16.95548 
1 1 1 5  16 35 o 121.7396 4.589380 154.8676       11.97283      184.6934       23.21597      124.9709       5.858188      131.9877 8.794743 111.4914 2.627194 20.49638       9.178761 
1 1 1 5  16 36 o 26.58270 8.212293 6.757921       9.309056      11.25730       18.42683      2.258544       2.698493      36.64476 15.23632 16.52064 6.133651 20.12412       16.42459 
1 1 1 5  16 37 o 37.39329 8.184650 15.16087       7.615856      6.283259       11.68237      24.03777       9.769550      29.56623 12.20221 45.22035 10.91147 -15.65412      16.36930 
1 1 1 5  16 38 o 28.40694 8.147319 6.626149       7.452912      4.143734       11.68946      9.110690       9.245295      27.41551 11.79450 29.39838 11.24300 -1.982870      16.29464 
1 1 1 5  16 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  16 41 o 35.63577 8.001599 18.38432       6.404404      19.73038       9.542846      17.03827       8.551013      36.62968 11.62146 34.64185 11.00200 1.987827       16.00320 
1 1 1 5  16 42 o 43.76816 7.545710 28.67104       6.679992      36.50652       10.13795      20.82848       8.699788      50.78145 10.34080 36.75487 10.99176 14.02658       15.09142 
1 1 1 5  16 43 o 25.80012 7.243395 9.408240       6.696286      1.741374       10.64095      17.07369       8.133026      20.58873 9.722635 31.01151 10.73953 -10.42278      14.48679 
1 1 1 5  17 0  o 186.5871 3.781372 348.6291       14.09819      348.6291       14.09819      348.6291       14.09819      186.5871 3.781372 186.5871 3.781372 -0.000000      0.000000 
1 1 1 5  17 1  o 205.6197 2.340688 422.8748       9.627860      417.5615       13.53851      428.2591       13.68729      204.3193 3.313078 206.9201 3.307386 -2.600784      4.681376 
1 1 1 5  17 2  o 621.3974 4.705862 3865.313       58.48978      3926.948       83.95154      3803.677       81.47195      626.3478 6.701671 616.4470 6.608188 9.900879       9.411723 
1 1 1 5  17 3  o 94.74335 2.837059 89.83168       5.375732      84.80168       7.417490      94.93254       7.785885      92.07095 4.028138 97.41576 3.996214 -5.344803      5.674119 
1 1 1 5  17 4  o 359.4457 3.037500 1292.925       21.84865      1251.126       30.02419      1334.723       31.74572      353.6359 4.245071 365.2556 4.345686 -11.61972      6.074999 
1 1 1 5  17 5  o 203.9106 2.362138 415.9320       9.634944      425.1419       13.77230      406.7930       13.47475      206.1596 3.340204 201.6617 3.340931 4.497955       4.724276 
1 1 1 5  17 6  o 101.7803 3.136824 104.0716       6.291760      117.3196       8.267632      90.82352       9.486169      108.2921 3.817282 95.26839 4.978655 13.02375       6.273647 
1 1 1 5  17 7  o 422.6537 3.705507 1787.424       31.34190      1774.672       40.83516      1800.884       47.55128      421.1281 4.848306 424.1793 5.605092 -3.051178      7.411014 
1 1 1 5  17 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 9  o 319.2466 3.409671 1019.462       21.77072      1012.378       31.17188      1027.255       30.39258      318.0791 4.900019 320.4142 4.742702 -2.335022      6.819341 
1 1 1 5  17 10 o 398.3394 3.898126 1587.641       31.05144      1588.349       44.37033      1587.641       43.46352      398.3806 5.568837 398.2982 5.456153 0.8245850E-01  7.796253 
1 1 1 5  17 11 o 243.6701 3.556061 594.2493       17.31456      606.5764       23.71897      581.9223       25.23505      246.2051 4.816913 241.1351 5.232554 5.069931       7.112122 
1 1 1 5  17 12 o 248.3035 2.965290 616.9198       14.72163      614.9362       22.55711      618.9035       18.92275      247.8911 4.549802 248.7160 3.804087 -0.8249359     5.930580 
1 1 1 5  17 13 o 114.1255 3.298632 130.4260       7.488335      124.3333       11.64695      136.5187       9.408240      111.4463 5.225365 116.8047 4.027337 -5.358467      6.597264 
1 1 1 5  17 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 15 o 315.7680 2.816324 997.5001       17.78922      988.9987       24.90208      1006.710       25.40508      314.3681 3.960656 317.1679 4.004989 -2.799774      5.632649 
1 1 1 5  17 16 f 239.9170 2.460846 575.9713       11.80281      584.1185       16.73363      567.8242       16.66279      241.6146 3.462877 238.2193 3.497363 3.395264       4.921693 
1 1 1 5  17 17 o 100.2210 2.686774 100.5293       5.385650      100.6710       7.382068      100.3876       7.842561      100.2943 3.680203 100.1477 3.915498 0.1466141      5.373548 
1 1 1 5  17 18 o 186.3904 2.311428 347.7081       8.614774      343.5991       11.93033      351.8880       12.44041      185.2822 3.219503 187.4986 3.317469 -2.216400      4.622856 
1 1 1 5  17 19 f 146.2299 2.533890 214.1650       7.424574      221.3912       11.21479      206.9388       9.734127      148.6876 3.771260 143.7722 3.385262 4.915436       5.067780 
1 1 1 5  17 20 o 328.9389 3.107586 1084.640       20.44592      1087.474       31.03727      1081.097       26.63070      329.3709 4.711599 328.5069 4.053295 0.8640747      6.215172 
1 1 1 5  17 21 f 266.6443 3.084836 712.7025       16.43608      707.6725       26.51735      717.6617       19.41158      265.6134 4.991720 267.6752 3.625958 -2.061798      6.169671 
1 1 1 5  17 22 o 312.9203 3.242703 981.9142       20.29714      1012.378       29.37949      952.1592       28.02635      317.7099 4.623635 308.1308 4.547801 9.579163       6.485407 
1 1 1 5  17 23 o 275.4573 2.810517 760.8772       15.45842      777.1716       20.36090      744.5828       23.26556      278.4636 3.655936 272.4510 4.269677 6.012634       5.621033 
1 1 1 5  17 24 o 150.2463 2.572456 226.4212       7.707955      235.2060       10.20170      217.7072       11.55485      153.1840 3.329886 147.3086 3.921987 5.875381       5.144913 
1 1 1 5  17 25 o 164.1311 2.261431 270.2035       7.417490      283.6641       10.42133      256.7429       10.54885      168.2340 3.097271 160.0281 3.295936 8.205887       4.522861 
1 1 1 5  17 26 o 179.4031 2.463574 322.9123       8.855647      317.9532       11.06602      327.8715       13.82190      178.0844 3.106958 180.7218 3.824080 -2.637405      4.927147 
1 1 1 5  17 27 o 125.2834 2.272284 157.4888       5.685325      162.9439       7.814223      152.0338       8.260548      127.4712 3.065095 123.0956 3.355338 4.375526       4.544568 
1 1 1 5  17 28 o 193.0604 2.391222 374.4168       9.181536      354.3676       13.94941      394.4659       11.95158      187.8116 3.713672 198.3092 3.013371 -10.49756      4.782443 
1 1 1 5  17 29 o 202.0906 2.632550 410.3353       10.64803      412.3189       17.52001      408.3516       12.10036      202.4125 4.327799 201.7688 2.998570 0.6437683      5.265099 
1 1 1 5  17 30 o 134.0503 2.460272 180.5844       6.598520      181.2928       10.73304      179.8051       7.679617      134.2250 3.998154 133.8756 2.868191 0.3493500      4.920544 
1 1 1 5  17 31 o 187.3717 2.741768 353.7300       10.27963      356.2804       16.89658      351.1087       11.72488      187.8179 4.498127 186.9255 3.136243 0.8923950      5.483536 
1 1 1 5  17 32 o 122.2079 2.369985 150.3335       5.836935      157.9848       9.535762      142.7530       6.728875      125.1961 3.808330 119.2198 2.822046 5.976326       4.739970 
1 1 1 5  17 33 o 84.33875 2.384939 71.76617       4.043134      78.70899       6.202496      64.87293       5.188701      88.38808 3.508672 80.28942 3.231248 8.098663       4.769879 
1 1 1 5  17 34 o 42.36319 3.087066 18.19304       2.615604      18.19304       3.729290      18.19304       3.668363      42.35839 4.402068 42.36798 4.329169 -0.9593964E-02 6.174132 
1 1 1 5  17 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 36 o 107.9514 4.063476 120.4368       8.636027      117.8864       15.86224      122.9872       6.832309      105.5470 7.514302 110.3559 3.095581 -4.808891      8.126952 
1 1 1 5  17 37 o 53.02819 4.991112 33.72230       6.624732      53.92735       13.00009      13.51017       2.568846      69.59323 9.340054 36.46314 3.522525 33.13009       9.982224 
1 1 1 5  17 38 o 86.86215 5.675391 82.46378       9.677451      74.03321       14.97667      90.96520       12.24913      81.22035 9.219778 92.50394 6.620870 -11.28359      11.35078 
1 1 1 5  17 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  17 40 o 123.3850 6.137791 181.7887       15.07585      168.6115       21.63612      194.8951       21.00560      117.7097 9.190456 129.0603 8.137901 -11.35058      12.27558 
1 1 1 5  17 41 o 64.72159 8.810317 62.98137       11.12269      60.56554       16.46442      65.40427       14.96250      60.78970 13.84701 68.65348 10.89712 -7.863777      17.62063 
1 1 1 5  17 42 o 43.56223 9.523454 36.84658       9.231127      42.65588       13.60936      31.03727       12.48292      47.52903 13.61491 39.59543 13.31987 7.933598       19.04691 
1 1 1 5  18 0  f 245.0881 3.641065 601.1921       17.83882      601.1921       17.83882      601.1921       17.83882      245.0881 3.641065 245.0881 3.641065 -0.000000      0.000000 
1 1 1 5  18 1  o 290.5090 2.732575 844.4745       15.88349      821.0956       22.03285      867.8535       22.87591      286.4875 3.845343 294.5305 3.883454 -8.042969      5.465151 
1 1 1 5  18 2  o 114.5370 2.892328 131.2761       6.624732      137.0146       9.542846      125.6085       9.195704      117.0256 4.077247 112.0484 4.103451 4.977188       5.784657 
1 1 1 5  18 3  o 146.9501 2.621291 216.1487       7.700871      204.5300       10.68345      227.8381       11.10144      142.9859 3.735843 150.9143 3.678061 -7.928421      5.242581 
1 1 1 5  18 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  18 5  o 722.8041 5.437009 5233.333       78.63815      5170.990       109.8809      5294.969       112.4313      718.5292 7.646235 727.0790 7.731711 -8.549805      10.87402 
1 1 1 5  18 6  o 270.7967 2.762425 733.2476       14.96250      734.6645       21.07644      732.5391       21.23938      270.9933 3.888738 270.6001 3.924497 0.3932495      5.524849 
1 1 1 5  18 7  o 239.0623 2.726270 572.0040       13.04260      598.7834       18.85190      545.2953       18.01593      244.6537 3.852772 233.4708 3.858283 11.18291       5.452540 
1 1 1 5  18 8  o 130.4384 3.230242 170.3118       8.437660      161.6687       11.51234      179.0258       12.32706      127.1142 4.528345 133.7626 4.607813 -6.648392      6.460484 
1 1 1 5  18 9  o 374.3126 3.294928 1402.026       24.66829      1412.653       35.16755      1391.399       34.60078      375.7301 4.679895 372.8950 4.639481 2.835083       6.589856 
1 1 1 5  18 10 o 404.3786 3.394970 1636.524       27.45959      1645.025       38.97902      1628.022       38.68147      405.4285 4.807138 403.3286 4.795279 2.099854       6.789939 
1 1 1 5  18 11 o 270.1350 3.206374 730.4138       17.31456      711.9940       24.54785      748.8336       24.43450      266.7252 4.601713 273.5449 4.466269 -6.819702      6.412747 
1 1 1 5  18 12 o 401.1246 9.652086 0.000000       0.000000      ?              ?             1615.270       77.43378      ?        ?        401.1246 9.652086 ?              ?        
1 1 1 5  18 13 o 179.9104 3.345016 323.9750       12.02951      323.4082       19.15654      324.6126       14.56577      179.7183 5.329601 180.1024 4.043746 -0.3841248     6.690032 
1 1 1 5  18 14 f 173.0152 3.587178 299.6751       12.41208      301.5879       18.11511      297.8331       16.98159      173.5510 5.218960 172.4795 4.922786 1.071487       7.174355 
1 1 1 5  18 15 o 120.6243 3.130246 145.8702       7.559181      157.2054       11.10144      134.5350       10.25838      125.3180 4.429307 115.9305 4.424365 9.387489       6.260492 
1 1 1 5  18 16 o 330.9927 3.170762 1097.392       20.99851      1101.642       32.00785      1092.433       27.18330      331.6523 4.825513 330.3330 4.114529 1.319275       6.341524 
1 1 1 5  18 17 o 245.3645 2.751115 602.8925       13.51726      610.8979       20.75764      594.8870       17.31456      246.9655 4.202538 243.7635 3.551508 3.202042       5.502230 
1 1 1 5  18 18 o 227.8933 2.443860 520.0036       11.14395      512.4940       15.38757      527.5132       16.11728      226.2520 3.400538 229.5346 3.510861 -3.282562      4.887720 
1 1 1 5  18 19 o 151.5798 2.338612 230.0343       7.084518      235.1351       9.897071      225.0043       10.14503      153.2529 3.228999 149.9066 3.383782 3.346298       4.677223 
1 1 1 5  18 20 o 38.28073 5.647177 15.33090       4.189075      14.55160       5.611646      16.11019       6.220206      37.31513 7.775094 39.24633 8.192092 -1.931198      11.29435 
1 1 1 5  18 21 o 102.9229 2.831718 106.3386       5.879441      97.83719       7.098687      114.8400       9.372816      98.82441 3.591565 107.0214 4.378947 -8.196960      5.663437 
1 1 1 5  18 22 o 185.8720 2.693650 346.3621       10.01042      336.4438       14.09819      356.3513       14.21863      183.1964 3.847835 188.5477 3.770565 -5.351303      5.387300 
1 1 1 5  18 23 o 111.9715 2.761734 125.7502       6.190452      127.7339       9.245295      123.8374       8.232210      112.8207 4.097339 111.1223 3.704122 1.698448       5.523469 
1 1 1 5  18 24 o 150.1357 2.969971 226.3504       8.940661      219.9743       11.52651      232.7973       13.65895      148.0529 3.892701 152.2186 4.486623 -4.165756      5.939942 
1 1 1 5  18 25 o 158.1476 2.975198 251.2170       9.422408      248.3832       11.15103      254.1216       15.19629      157.3485 3.543418 158.9466 4.780314 -1.598099      5.950396 
1 1 1 5  18 26 o 107.8358 3.205044 116.9654       6.900320      117.8864       7.934660      116.1152       11.29272      108.3584 3.661303 107.3133 5.261568 1.045128       6.410089 
1 1 1 5  18 27 o 141.6116 2.874741 201.7671       8.210957      189.7942       9.479085      213.7399       13.41099      137.5092 3.446710 145.7141 4.601818 -8.204865      5.749482 
1 1 1 5  18 28 f 102.3127 2.607633 105.2759       5.343852      99.53748       7.204955      110.9436       7.892153      99.54718 3.618864 105.0782 3.755371 -5.531036      5.215265 
1 1 1 5  18 29 o 52.74849 3.765950 28.43017       4.039592      34.14738       6.535468      22.71296       4.748752      58.07332 5.626911 47.42365 5.006734 10.64967       7.531900 
1 1 1 5  18 30 o 172.4342 2.477483 299.2500       8.628942      319.4409       14.24696      279.1300       9.755382      178.1079 3.999532 166.7605 2.924968 11.34741       4.954966 
1 1 1 5  18 31 o 64.23976 3.698842 41.91201       4.762213      42.78341       7.474166      41.04770       5.900695      64.79874 5.767216 63.68078 4.633027 1.117958       7.397684 
1 1 1 5  18 32 o 71.22121 2.988225 51.33442       4.288967      55.64889       6.768548      47.01994       5.270173      74.16005 4.563473 68.28236 3.859102 5.877686       5.976450 
1 1 1 5  18 33 o 105.8144 2.303975 112.7855       4.881233      113.9899       7.686701      111.5812       6.017590      106.2909 3.615880 105.3379 2.856328 0.9529877      4.607949 
1 1 1 5  18 34 o 63.36049 2.779506 41.06895       3.533049      49.19489       5.426741      32.94301       4.525590      69.69901 3.892982 57.02197 3.968286 12.67704       5.559011 
1 1 1 5  18 35 o 61.49506 2.500908 38.84441       3.078223      48.27390       4.748752      29.42200       3.917738      69.08877 3.436703 53.90135 3.634175 15.18742       5.001815 
1 1 1 5  18 36 o 30.10940 7.816391 9.351563       8.196787      12.07910       16.13144      6.629692       2.942909      35.45970 14.43642 24.75909 5.997807 10.70060       15.63278 
1 1 1 5  18 37 o 45.28918 7.787639 25.27047       8.147196      30.13754       15.86932      20.41050       3.681115      45.99027 15.01831 44.58808 4.127914 1.402187       15.57528 
1 1 1 5  18 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  18 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  18 40 o 22.87081 7.006266 2.195492       6.296011      -4.322973      8.990252      8.713958       8.820225      19.12509 9.003550 26.61653 10.73719 -7.491446      14.01253 
1 1 1 5  18 41 o 40.29671 7.577051 25.87266       6.943536      39.85749       10.71888      11.88074       8.827310      52.80251 10.52297 27.79090 10.90477 25.01161       15.15410 
1 1 1 5  18 42 o 49.17513 6.906373 36.26565       6.623316      29.75498       9.443663      42.77632       9.294888      42.04689 11.07514 56.30338 8.254290 -14.25649      13.81275 
1 1 1 5  19 0  o 202.0851 3.894565 408.9184       15.72763      408.9184       15.72763      408.9184       15.72763      202.0851 3.894565 202.0851 3.894565 0.000000       0.000000 
1 1 1 5  19 1  o 277.8017 2.873873 772.2125       15.96850      750.9589       22.21705      793.4660       22.94675      273.9783 4.054527 281.6251 4.073989 -7.646790      5.747746 
1 1 1 5  19 2  o 521.8583 4.141169 2725.414       43.22264      2723.289       61.03312      2728.248       61.21732      521.6214 5.850328 522.0952 5.862659 -0.4737549     8.282337 
1 1 1 5  19 3  o 612.9540 4.729948 3761.879       57.98678      3785.967       82.46378      3737.083       81.54280      614.9438 6.704986 610.9642 6.673288 3.979553       9.459895 
1 1 1 5  19 4  o 474.9008 3.876041 2257.127       36.81115      2242.250       51.71698      2272.005       52.41126      473.3369 5.463020 476.4646 5.500017 -3.127686      7.752081 
1 1 1 5  19 5  o 240.5549 2.935251 578.9468       14.11944      576.3964       19.87916      581.4973       20.06335      240.0253 4.141055 241.0845 4.161063 -1.059174      5.870501 
1 1 1 5  19 6  o 486.2452 3.947879 2366.938       38.39100      2353.477       53.99111      2379.689       54.60038      484.9000 5.567242 487.5904 5.599001 -2.690369      7.895758 
1 1 1 5  19 7  o 375.2838 3.288402 1409.111       24.68246      1429.656       35.19589      1389.274       34.61496      377.9716 4.655890 372.5959 4.645107 5.375702       6.576803 
1 1 1 5  19 8  o 413.3033 3.464836 1709.494       28.64979      1676.197       39.80082      1743.500       41.21064      409.2386 4.862790 417.3681 4.936966 -8.129547      6.929672 
1 1 1 5  19 9  o 172.0898 2.663848 296.7704       9.174451      273.4624       12.49000      320.0785       13.43933      165.3212 3.777497 178.8583 3.756976 -13.53719      5.327697 
1 1 1 5  19 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  19 11 o 195.1475 2.517766 381.0762       9.826226      387.8065       13.94941      374.3459       13.84315      196.8715 3.542772 193.4235 3.578455 3.447952       5.035531 
1 1 1 5  19 12 o 380.9494 3.221070 1453.035       24.54077      1438.157       34.38825      1467.204       35.02586      379.0467 4.536150 382.8522 4.574331 -3.805542      6.442140 
1 1 1 5  19 13 o 205.3589 2.687900 422.0247       11.03768      421.4579       14.32489      422.5915       16.80448      205.2326 3.489918 205.4853 4.088973 -0.2527161     5.375800 
1 1 1 5  19 14 o 170.9722 3.030402 293.9366       10.12378      333.1849       12.36957      254.6884       16.02518      182.4723 3.389437 159.4721 5.024447 23.00026       6.060805 
1 1 1 5  19 15 o 256.9831 2.790981 661.3398       14.37449      643.2742       18.29931      679.4053       22.18163      253.4983 3.609355 260.4679 4.258035 -6.969589      5.581963 
1 1 1 5  19 16 o 154.8382 2.626432 240.2360       8.097604      251.6421       10.66928      228.7591       12.19245      158.5463 3.364721 151.1301 4.033762 7.416245       5.252865 
1 1 1 5  19 17 o 62.95627 4.746939 39.85749       5.959496      37.25039       8.621859      42.47168       8.225125      60.87605 7.081486 65.03648 6.323470 -4.160435      9.493878 
1 1 1 5  19 18 o 160.1730 2.867047 257.0971       9.188620      262.4105       13.29056      251.7129       12.68837      161.8358 4.106186 158.5103 4.002382 3.325500       5.734094 
1 1 1 5  19 19 o 113.1062 2.907185 128.3006       6.597104      133.8265       10.07418      122.7038       8.515590      115.5444 4.359443 110.6681 3.847357 4.876350       5.814370 
1 1 1 5  19 20 o 182.0321 2.635592 331.9805       9.585353      328.2257       14.51618      335.8062       12.52543      180.9649 4.010771 183.0992 3.420394 -2.134277      5.271183 
1 1 1 5  19 21 o 196.0633 2.688457 385.3978       10.54176      387.3106       14.67912      383.4141       15.13253      196.5675 3.733862 195.5591 3.869043 1.008438       5.376915 
1 1 1 5  19 22 o 105.6304 2.950581 112.1479       6.198245      119.6575       8.260548      104.5675       9.245295      109.2234 3.781493 102.0375 4.530344 7.185905       5.901162 
1 1 1 5  19 23 f 137.1971 3.008197 189.3692       8.154280      205.6635       10.29380      173.0748       12.66003      143.1934 3.594372 131.2009 4.824674 11.99245       6.016394 
1 1 1 5  19 24 o 140.0294 2.691837 197.0204       7.502505      211.2603       10.25838      182.8514       10.95975      145.1183 3.534491 134.9407 4.060951 10.17760       5.383675 
1 1 1 5  19 25 o 52.75678 5.143623 29.84707       4.935075      18.05844       6.998086      41.63571       6.960539      41.26883 8.745359 64.24473 5.417207 -22.97590      10.28725 
1 1 1 5  19 26 o 35.18278 6.614418 13.14178       4.749461      12.31998       6.913073      13.96358       6.514922      34.14780 9.678702 36.21776 9.018026 -2.069962      13.22884 
1 1 1 5  19 27 o 43.37173 6.279820 20.00668       5.260254      21.61486       7.304138      18.39849       7.573349      45.26180 8.383793 41.48166 9.351823 3.780136       12.55964 
1 1 1 5  19 28 o 47.54738 5.441460 23.63395       4.866355      27.31082       5.727124      19.95709       7.870899      51.95231 5.511905 43.14245 9.383861 8.809864       10.88292 
1 1 1 5  19 29 o 82.87306 3.572814 69.54871       5.817806      76.44194       7.005171      62.66964       9.287803      87.14278 4.019364 78.60336 5.908019 8.539421       7.145627 
1 1 1 5  19 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  19 31 o 103.9643 2.821841 109.1016       5.898569      112.7147       9.705790      105.4176       6.701954      105.5563 4.597445 102.3723 3.273322 3.183990       5.643682 
1 1 1 5  19 32 o 219.2862 2.832548 485.9270       12.38374      478.7009       20.15545      493.1533       14.39574      217.2671 4.638405 221.3053 3.252462 -4.038239      5.665095 
1 1 1 5  19 33 o 150.5159 2.489865 228.6882       7.509589      232.4430       12.14286      225.0043       8.841478      151.5309 4.006730 149.5010 2.956996 2.029861       4.979730 
1 1 1 5  19 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  19 35 o 65.70072 2.646144 43.93110       3.484166      47.60796       5.198619      40.25423       4.641068      68.43958 3.797963 62.96186 3.685618 5.477711       5.292287 
1 1 1 5  19 36 f 29.61199 4.331977 9.592437       2.541925      12.57502       3.761879      6.612689       3.419697      34.72406 5.416820 24.49992 6.761817 10.22414       8.663954 
1 1 1 5  19 37 o 19.92326 6.144390 -4.755128      6.691327      -12.68837      13.00009      3.179532       3.176698      21.43719 10.31597 18.40933 6.677938 3.027861       12.28878 
1 1 1 5  19 38 o 34.92365 7.089695 16.02518       6.333559      20.77889       12.17829      11.26438       3.491959      37.35340 13.12186 32.49388 5.373256 4.859524       14.17939 
1 1 1 5  19 39 o 82.01922 5.193168 76.72533       8.423491      65.51762       11.94450      87.98971       11.88782      75.14346 7.947797 88.89498 6.686441 -13.75153      10.38634 
1 1 1 5  19 40 o 32.04204 7.837840 15.00501       6.727458      8.437660       10.00334      21.57236       9.004422      26.00525 11.03952 38.07882 11.12906 -12.07357      15.67568 
1 1 1 5  19 41 o 28.69649 7.838258 13.90691       6.573724      10.95267       9.634944      16.85407       8.947746      26.11346 10.94701 31.27951 11.22123 -5.166052      15.67652 
1 1 1 5  20 0  o 96.66487 5.628095 94.43663       10.80389      94.43663       10.80389      94.43663       10.80389      96.66487 5.628095 96.66487 5.628095 0.000000       0.000000 
1 1 1 5  20 1  o 179.1197 2.919954 321.0703       10.45675      325.1085       14.79956      316.9613       14.78539      180.2568 4.105132 177.9827 4.153604 2.274139       5.839909 
1 1 1 5  20 2  o 177.2673 2.901156 314.4818       10.28672      323.4791       14.66495      305.4844       14.42408      179.8042 4.078033 174.7303 4.127526 5.073883       5.802313 
1 1 1 5  20 3  o 138.0596 3.148961 190.9986       8.671450      206.0886       12.25622      175.9794       12.27747      143.5119 4.270104 132.6073 4.629258 10.90457       6.297922 
1 1 1 5  20 4  o 440.2871 3.649114 1940.449       32.13537      1922.030       44.97960      1958.869       45.90767      438.1996 5.132318 442.3745 5.188779 -4.174896      7.298227 
1 1 1 5  20 5  o 240.7505 2.750683 580.0095       13.24805      567.2573       18.42683      592.7616       19.03610      238.1043 3.869488 243.3967 3.910510 -5.292374      5.501366 
1 1 1 5  20 6  o 58.71552 5.284467 34.55119       6.204620      34.63621       8.614774      34.46618       8.933578      58.79026 7.326701 58.64077 7.617207 0.1494942      10.56893 
1 1 1 5  20 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  20 8  o 282.5283 2.793980 798.4252       15.78431      797.0083       22.19580      800.5505       22.45792      282.2160 3.932412 282.8406 3.970067 -0.6245728     5.587960 
1 1 1 5  20 9  o 104.2185 3.053981 108.7474       6.362606      109.8100       8.784801      107.6138       9.209873      104.7474 4.193326 103.6895 4.441083 1.057930       6.107963 
1 1 1 5  20 10 o 271.3709 2.980303 737.4984       16.20938      754.5012       25.02252      719.7870       20.60886      274.5470 4.557056 268.1948 3.842144 6.352173       5.960607 
1 1 1 5  20 11 o 232.9893 2.574203 543.1700       11.99409      547.3499       17.04535      539.0609       16.88241      233.8780 3.644069 232.1006 3.636872 1.777328       5.148406 
1 1 1 5  20 12 o 234.2281 2.776897 549.1210       13.01426      554.0093       19.69496      544.2327       17.02410      235.2567 4.185844 233.1995 3.650114 2.057205       5.553793 
1 1 1 5  20 13 o 72.49440 4.051727 52.69464       5.888652      50.98728       7.566265      54.40201       9.025676      71.33207 5.303551 73.65672 6.126852 -2.324654      8.103454 
1 1 1 5  20 14 o 78.61948 3.521943 62.54212       5.459329      74.67081       7.715039      50.41343       7.722124      86.33310 4.468182 70.90585 5.445336 15.42725       7.043887 
1 1 1 5  20 15 o 168.4829 2.466964 284.3017       8.317224      276.2253       11.31397      292.3072       12.19954      166.1043 3.405683 170.8615 3.570009 -4.757156      4.933928 
1 1 1 5  20 16 o 239.8748 2.559228 576.2546       12.27747      565.9113       16.99576      586.5981       17.73255      237.7259 3.574654 242.0236 3.663393 -4.297684      5.118456 
1 1 1 5  20 17 o 162.1914 2.839510 263.8983       9.202788      281.6096       13.25513      246.1162       12.78047      167.6566 3.953060 156.7261 4.077327 10.93053       5.679020 
1 1 1 5  20 18 o 193.9731 2.770774 377.0381       10.75430      367.3322       14.50909      386.8147       15.89057      191.4798 3.788675 196.4664 4.044095 -4.986588      5.541548 
1 1 1 5  20 19 o 21.87667 6.500396 -0.6000586     5.124232      3.224873       6.009089      -4.424990      8.303054      23.01016 9.003645 20.74318 9.378429 2.266979       13.00079 
1 1 1 5  20 20 o 154.1712 3.084507 238.4649       9.500339      240.2360       11.76030      236.7646       14.92708      154.7955 3.798656 153.5469 4.860755 1.248611       6.169014 
1 1 1 5  20 21 o 132.7391 3.235870 177.1838       8.551013      166.4862       12.77339      187.8106       11.36357      128.6883 4.962916 136.7898 4.153659 -8.101532      6.471740 
1 1 1 5  20 22 o 158.1480 4.060826 0.000000       0.000000      ?              ?             251.0753       12.84423      ?        ?        158.1480 4.060826 ?              ?        
1 1 1 5  20 23 o 76.20551 3.754903 58.99986       5.748378      69.90294       8.855647      48.09679       7.332476      83.30750 5.315036 69.10351 5.305430 14.20399       7.509807 
1 1 1 5  20 24 o 87.39658 3.377924 76.93786       5.916989      80.19674       8.912323      73.67899       7.785885      89.22081 4.994532 85.57233 4.549301 3.648476       6.755848 
1 1 1 5  20 25 o 171.5204 2.709394 295.4952       9.294888      296.3454       12.51126      294.6451       13.74396      171.8038 3.641148 171.2370 4.013142 0.5667725      5.418788 
1 1 1 5  20 26 o 73.02006 3.525556 54.11155       5.078891      62.63422       6.990294      45.59596       7.367898      78.86980 4.431540 67.17031 5.484490 11.69949       7.051112 
1 1 1 5  20 27 o 151.2423 2.964630 230.3177       8.969000      229.9635       12.98592      230.6011       12.36957      151.1122 4.296781 151.3725 4.085805 -0.2602692     5.929261 
1 1 1 5  20 28 o 118.7112 3.438231 143.1073       8.281801      164.4317       13.34723      121.7120       9.804973      127.5353 5.232761 109.8872 4.461383 17.64811       6.876462 
1 1 1 5  20 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  20 30 o 97.96687 3.889946 97.55381       7.622942      96.84536       8.366816      98.26226       12.74505      97.92571 4.272022 98.00803 6.502042 -0.8232117E-01 7.779892 
1 1 1 5  20 31 o 59.55606 3.731594 36.14521       4.446952      33.43184       6.070015      38.85150       6.500045      57.31674 5.295150 61.79538 5.259329 -4.478645      7.463187 
1 1 1 5  20 32 o 39.29118 5.592416 16.77614       4.291093      19.56035       6.803263      13.99192       5.231916      42.53178 8.293741 36.05057 7.504286 6.481209       11.18483 
1 1 1 5  20 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  20 34 o 41.15791 4.425078 18.06552       3.568472      22.25956       5.501128      13.87857       4.547552      46.34991 5.934346 35.96590 6.565730 10.38401       8.850157 
1 1 1 5  20 35 o 46.68164 3.706969 22.59961       3.481332      24.71080       5.381400      20.48843       4.417197      48.78346 5.515598 44.57981 4.954257 4.203644       7.413939 
1 1 1 5  20 36 f 23.00502 5.527063 5.176658       3.242584      1.841974       4.444118      8.508506       4.723248      18.48226 7.559644 27.52779 8.065078 -9.045530      11.05413 
1 1 1 5  20 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  20 38 o 39.17470 6.624943 19.51785       5.875899      21.61486       11.33523      17.42083       3.112937      37.40727 12.69280 40.94213 3.801630 -3.534859      13.24989 
1 1 1 5  20 39 o 17.05802 5.006160 -7.127024      4.969081      -18.10803      9.493254      3.845476       2.926614      15.36819 7.660348 18.74786 6.447140 -3.379675      10.01232 
1 1 1 5  20 40 o 21.61604 6.847639 3.349560       6.125274      3.980082       9.082352      2.719038       8.225125      22.20899 9.934073 21.02309 9.427344 1.185900       13.69528 
1 1 1 5  21 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  21 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  21 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  21 3  o 280.8756 2.848267 789.2153       16.00393      772.2125       22.35165      806.9266       22.90425      277.7882 4.023146 283.9630 4.032963 -6.174774      5.696533 
1 1 1 5  21 4  o 242.8482 2.686810 590.1403       13.04968      587.3065       18.37724      592.9742       18.53310      242.2654 3.792790 243.4310 3.806643 -1.165573      5.373620 
1 1 1 5  21 5  o 210.3690 2.606810 442.9241       10.96683      429.9594       15.23171      455.8887       15.79139      207.2900 3.674011 213.4480 3.699118 -6.158035      5.213620 
1 1 1 5  21 6  o 248.0744 2.663581 615.8572       13.21263      618.6201       18.65354      613.0233       18.72438      248.6388 3.751132 247.5101 3.782549 1.128662       5.327163 
1 1 1 5  21 7  o 277.4637 2.736658 770.0871       15.18921      780.7139       21.59361      760.1688       21.35982      279.3138 3.865475 275.6136 3.874958 3.700195       5.473317 
1 1 1 5  21 8  o 305.1579 2.861314 931.6141       17.46334      925.2380       24.49118      938.6987       24.90208      304.0572 4.027397 306.2586 4.065531 -2.201447      5.722628 
1 1 1 5  21 9  o 103.0304 3.081347 106.6928       6.344185      92.59465       8.551013      120.8619       9.379901      96.17621 4.445493 109.8846 4.268068 -13.70843      6.162695 
1 1 1 5  21 10 o 89.82678 3.777428 80.90520       6.820973      85.86436       10.66928      75.94603       8.508506      92.56966 5.762840 87.08390 4.885235 5.485764       7.554856 
1 1 1 5  21 11 o 50.26855 5.156649 25.38383       5.176658      26.34732       7.134109      24.41325       7.502505      51.23551 6.962075 49.30160 7.608785 1.933914       10.31330 
1 1 1 5  21 12 f 101.1338 3.540164 102.6547       7.162447      94.22409       9.769550      111.1561       10.47800      96.95638 5.038116 105.3112 4.974780 -8.354836      7.080328 
1 1 1 5  21 13 o 180.5598 2.730299 326.5254       9.847479      332.5473       13.00009      320.5036       14.79247      182.2444 3.566664 178.8753 4.134857 3.369141       5.460598 
1 1 1 5  21 14 o 200.8053 2.884793 404.1718       11.59027      385.9645       15.91891      422.3081       16.85407      196.2906 4.054935 205.3200 4.104341 -9.029449      5.769586 
1 1 1 5  21 15 o 238.5853 2.965873 570.3745       14.14778      579.5135       20.11295      561.3063       19.91458      240.4907 4.181647 236.6798 4.207072 3.810913       5.931747 
1 1 1 5  21 16 o 97.03557 3.420369 94.57832       6.612689      102.8672       9.216957      86.36028       9.479085      101.2923 4.549682 92.77882 5.108432 8.513512       6.840737 
1 1 1 5  21 17 o 112.0914 2.920991 126.0336       6.537593      120.4368       9.408240      131.5595       9.082352      109.6061 4.291842 114.5767 3.963438 -4.970596      5.841981 
1 1 1 5  21 18 o 141.5357 2.518239 200.7044       7.127024      196.8079       9.804973      204.6717       10.35756      140.1544 3.497919 142.9170 3.623629 -2.762650      5.036479 
1 1 1 5  21 19 o 274.8737 2.712368 758.0435       14.91291      762.2941       21.05519      753.0842       21.11895      275.7125 3.818323 274.0349 3.853332 1.677612       5.424736 
1 1 1 5  21 20 o 28.01954 6.615211 7.339560       4.451202      9.401155       5.955245      5.270881       6.616231      30.23598 9.104681 25.80310 9.599419 4.432873       13.23042 
1 1 1 5  21 21 o 135.9744 2.574908 185.4727       7.002337      187.5272       9.663282      183.4182       10.13086      136.7399 3.533454 135.2089 3.746373 1.530960       5.149816 
1 1 1 5  21 22 o 167.6727 2.797170 282.3181       9.386987      278.0673       12.62461      286.5688       13.89274      166.4382 3.792583 168.9072 4.112536 -2.469040      5.594340 
1 1 1 5  21 23 o 135.9001 2.823054 185.8269       7.608772      198.8624       9.755382      172.7206       11.68237      140.7660 3.465106 131.0343 4.457754 9.731720       5.646108 
1 1 1 5  21 24 o 60.83530 5.234180 37.64713       6.381733      39.34741       9.507423      35.94684       8.508506      62.17644 7.645520 59.49417 7.150706 2.682266       10.46836 
1 1 1 5  21 25 o 65.97043 4.906276 44.41993       6.426365      38.99319       9.202788      49.83958       8.969000      61.84597 7.440088 70.09489 6.397755 -8.248928      9.812552 
1 1 1 5  21 26 o 65.12980 5.364110 44.09404       6.744461      32.41167       9.776634      55.77641       9.287803      56.12725 8.709349 74.13235 6.264339 -18.00510      10.72822 
1 1 1 5  21 27 o 61.49568 6.096336 39.80790       7.119940      31.49068       10.35756      48.12513       9.769550      54.30374 9.903872 68.68762 7.111580 -14.38388      12.19267 
1 1 1 5  21 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  21 29 o 57.92385 4.954447 34.48035       5.763964      32.56753       7.332476      36.38609       8.891070      56.42409 6.497647 59.42361 7.481093 -2.999519      9.908894 
1 1 1 5  21 30 o 100.6635 3.440812 102.7963       6.938577      106.4803       10.40007      99.18325       9.188620      102.3857 5.078869 98.94125 4.643473 3.444450       6.881624 
1 1 1 5  21 31 o 148.8633 3.228072 224.9334       9.557014      218.0614       15.34507      231.8054       11.39899      146.2388 5.246578 151.4879 3.762343 -5.249084      6.456145 
1 1 1 5  21 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  21 33 o 39.55877 5.696327 17.25788       4.393818      20.20504       6.832309      14.31781       5.525924      42.97038 8.244109 36.14716 7.863029 6.823219       11.39265 
1 1 1 5  21 34 o 54.85379 3.705175 31.82365       4.083516      41.67113       6.493669      21.98326       4.953495      63.59196 5.105731 46.11562 5.370734 17.47634       7.410349 
1 1 1 5  21 35 f 49.01959 3.981329 25.21380       3.892234      24.68954       5.950287      25.73805       5.018672      48.28201 6.162012 49.75717 5.043166 -1.475155      7.962657 
1 1 1 5  21 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  21 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  21 38 o 98.35857 2.055813 99.39579       4.098393      111.5103       6.634651      87.35210       4.813221      104.1275 3.185831 92.58966 2.599222 11.53782       4.111627 
1 1 1 5  21 39 o 24.96714 5.679033 4.468914       5.153986      -1.357394      9.670367      10.29380       3.569180      20.28940 9.504427 29.64489 6.218643 -9.355484      11.35807 
1 1 1 5  21 40 o 20.39326 5.218532 1.281589       4.563138      -3.957411      8.664365      6.519882       2.861437      17.63851 8.471790 23.14802 6.095989 -5.509518      10.43706 
1 1 1 5  22 0  o 243.5538 3.808261 593.8242       18.54018      593.8242       18.54018      593.8242       18.54018      243.5538 3.808261 243.5538 3.808261 0.000000       0.000000 
1 1 1 5  22 1  o 24.39502 6.876139 1.594017       5.374315      6.651654       7.552096      -3.463621      7.651280      28.41800 10.29765 20.37203 9.115015 8.045961       13.75228 
1 1 1 5  22 2  o 225.9617 2.632159 510.9354       11.89491      515.2570       16.83282      506.6138       16.81156      226.9179 3.709010 225.0055 3.735811 1.912338       5.264317 
1 1 1 5  22 3  o 355.7381 3.143815 1266.712       22.36582      1264.586       31.63946      1268.837       31.62529      355.4393 4.450753 356.0369 4.441293 -0.5975952     6.287630 
1 1 1 5  22 4  o 472.5770 3.817428 2236.582       36.08145      2258.544       51.48319      2214.620       50.56929      474.8945 5.420487 470.2595 5.376743 4.635040       7.634857 
1 1 1 5  22 5  o 160.5767 2.633543 258.0890       8.458915      250.5794       11.65403      265.5986       12.27038      158.2413 3.682361 162.9120 3.765955 -4.670670      5.267087 
1 1 1 5  22 6  f 189.3611 2.562940 358.9017       9.705790      370.8036       13.91399      347.0705       13.53851      192.4926 3.614164 186.2297 3.634897 6.262848       5.125881 
1 1 1 5  22 7  o 55.19643 4.976761 30.74681       5.441618      35.57845       7.700871      25.92225       7.693786      59.56992 6.463725 50.82295 7.569204 8.746964       9.953522 
1 1 1 5  22 8  o 299.3580 2.865694 896.9000       17.15870      888.3986       24.03068      906.1099       24.49826      297.8824 4.033586 300.8336 4.071730 -2.951233      5.731387 
1 1 1 5  22 9  o 229.9820 2.816870 529.9219       13.00009      507.3223       16.57777      552.4507       20.02793      225.1061 3.682213 234.8579 4.263840 -9.751862      5.633739 
1 1 1 5  22 10 o 280.7962 3.185299 790.6322       17.90258      760.1688       24.44867      820.3871       26.15604      275.4531 4.437901 286.1392 4.570509 -10.68610      6.370598 
1 1 1 5  22 11 o 239.1590 3.011421 573.0667       14.40283      561.3772       20.02085      584.7561       20.72222      236.7226 4.228757 241.5954 4.288619 -4.872803      6.022843 
1 1 1 5  22 12 o 248.4949 3.414057 619.2577       17.03827      596.8707       20.86390      641.5739       26.93534      244.0744 4.274086 252.9153 5.324972 -8.840897      6.828114 
1 1 1 5  22 13 o 153.2099 2.972943 235.3477       9.117774      223.7291       12.32706      246.9663       13.44641      149.4315 4.124652 156.9883 4.282618 -7.556717      5.945887 
1 1 1 5  22 14 f 130.7635 2.721962 171.3036       7.119940      171.9413       9.826226      170.6660       10.30089      131.0130 3.750098 130.5141 3.946274 0.4988556      5.443924 
1 1 1 5  22 15 o 182.5127 2.552997 334.0350       9.323226      312.4272       12.70254      355.6428       13.65895      176.6046 3.596322 188.4208 3.624588 -11.81615      5.105993 
1 1 1 5  22 16 o 192.6054 2.527016 372.0080       9.734127      393.4741       14.02026      350.4711       13.50309      198.1804 3.537247 187.0304 3.609865 11.14996       5.054032 
1 1 1 5  22 17 o 118.2150 2.726322 140.2026       6.434867      147.4997       8.990252      132.9055       9.209873      121.3050 3.705639 115.1250 3.999946 6.180046       5.452644 
1 1 1 5  22 18 o 95.12953 2.992524 90.89436       5.683200      94.08241       7.821308      87.63548       8.253463      96.83320 4.038547 93.42587 4.417120 3.407333       5.985048 
1 1 1 5  22 19 o 119.2440 2.725377 143.0364       6.511380      129.4341       8.671450      156.5679       9.719957      113.5786 3.817378 124.9094 3.890803 -11.33081      5.450754 
1 1 1 5  22 20 o 169.6427 2.530701 288.6941       8.586436      297.5498       12.16412      279.9093       12.11453      172.2413 3.531126 167.0441 3.626145 5.197189       5.061401 
1 1 1 5  22 21 o 46.61718 6.146762 22.64920       5.545053      25.42633       7.176617      19.87916       8.458915      50.06886 7.166747 43.16550 9.988418 6.903358       12.29352 
1 1 1 5  22 22 o 131.1686 3.315398 173.2165       8.650196      178.6715       10.33631      167.7614       13.87857      133.3699 3.875054 128.9674 5.380652 4.402512       6.630796 
1 1 1 5  22 23 o 148.3851 3.247221 221.6746       9.592437      227.1297       11.45567      216.2195       15.40174      150.3642 3.809306 146.4061 5.259940 3.958145       6.494443 
1 1 1 5  22 24 o 31.64370 6.583562 10.30797       5.169573      0.6395903      5.839768      19.97834       8.529759      20.16337 8.490796 43.12402 10.06377 -22.96064      13.16712 
1 1 1 5  22 25 o 55.80590 6.300997 32.64546       6.653780      35.69889       7.169532      29.59912       11.20771      59.33309 6.041766 52.27872 11.05926 7.054367       12.60199 
1 1 1 5  22 26 o 83.55647 4.004703 70.76725       6.742336      67.19666       7.693786      74.31659       11.07310      81.61449 4.713493 85.49847 6.475614 -3.883980      8.009406 
1 1 1 5  22 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  22 28 o 35.07806 7.260448 11.73196       6.359772      0.9372817      9.146112      22.52877       8.841478      24.72587 10.52795 45.43024 10.00093 -20.70438      14.52090 
1 1 1 5  22 29 o 115.6626 3.249665 135.5268       7.502505      130.0717       11.01642      140.9819       10.18045      113.2468 4.863900 118.0783 4.310891 -4.831467      6.499331 
1 1 1 5  22 30 f 21.16705 6.423824 0.3482749      4.889734      -0.8225125     6.248545      1.518921       7.523758      19.38608 8.482557 22.94802 9.649264 -3.561937      12.84765 
1 1 1 5  22 31 f 146.6635 2.849660 218.1323       8.352647      214.6609       11.95158      221.6037       11.68237      145.4566 4.108298 147.8704 3.950207 -2.413773      5.699320 
1 1 1 5  22 32 o 93.07438 3.592701 88.83985       6.718957      94.50746       10.40716      83.24309       8.501422      95.86752 5.427885 90.28123 4.708299 5.586288       7.185403 
1 1 1 5  22 33 o 99.62052 2.675627 100.9544       5.343143      104.2841       8.239295      97.55381       6.809639      101.1533 4.072678 98.08776 3.471197 3.065521       5.351254 
1 1 1 5  22 34 o 68.49323 3.412943 48.61396       4.680741      49.49952       7.169532      47.72839       6.017590      68.92467 5.200992 68.06180 4.420681 0.8628693      6.825887 
1 1 1 5  22 35 o 45.82278 6.306609 25.66721       5.739168      19.24155       7.176617      32.09995       8.954830      39.40231 9.254338 52.24324 8.570326 -12.84092      12.61322 
1 1 1 5  22 36 o 32.01662 5.429881 11.86657       3.768255      5.992794       5.435242      17.73963       5.219872      23.69926 8.721412 40.33399 6.470812 -16.63472      10.85976 
1 1 1 5  22 37 f 71.63393 2.776227 53.59438       4.026131      60.82059       6.446911      46.36817       4.825265      76.27145 4.226294 66.99642 3.601136 9.275024       5.552454 
1 1 1 5  22 38 o 37.61249 3.972586 15.89057       2.798384      12.56085       4.194035      19.22738       3.706620      32.70706 6.642726 42.51791 4.358892 -9.810856      7.945172 
1 1 1 5  22 39 o 22.58711 4.649900 6.233667       2.269171      5.002378       3.254627      7.467082       3.161820      20.34041 6.801302 24.83381 6.342600 -4.493404      9.299801 
1 1 1 5  23 0  o 78.81615 5.321149 63.02387       8.310139      63.02387       8.310139      63.02387       8.310139      78.81615 5.321149 78.81615 5.321149 0.000000       0.000000 
1 1 1 5  23 1  o 105.6345 3.144737 111.8645       6.634651      120.4368       9.500339      103.3631       9.266549      109.6735 4.331193 101.5955 4.560511 8.077942       6.289474 
1 1 1 5  23 2  o 299.4734 2.894660 898.3169       17.33581      883.4393       24.21488      912.4859       24.82415      297.0530 4.075852 301.8938 4.111405 -4.840820      5.789320 
1 1 1 5  23 3  o 165.6222 2.638565 274.6667       8.742295      265.5986       12.22788      283.7349       12.49000      162.8864 3.753498 168.3580 3.709359 -5.471573      5.277129 
1 1 1 5  23 4  o 311.9395 2.943613 974.8296       18.36307      989.7072       26.23397      959.2438       25.70972      314.3766 4.172379 309.5025 4.153394 4.874146       5.887226 
1 1 1 5  23 5  o 179.8199 2.600534 323.7625       9.351563      317.4572       13.06385      330.0677       13.38974      178.0693 3.668194 181.5705 3.687202 -3.501190      5.201067 
1 1 1 5  23 6  o 170.3034 2.948333 290.4652       10.03876      291.4571       14.08402      289.5442       14.31781      170.5864 4.128119 170.0203 4.210617 0.5661011      5.896665 
1 1 1 5  23 7  o 210.7254 2.993411 445.3328       12.63170      416.2154       17.10203      474.3793       18.58978      203.8402 4.194960 217.6106 4.271340 -13.77040      5.986822 
1 1 1 5  23 8  o 363.5100 3.677542 1324.805       26.74405      1292.925       37.03077      1357.394       38.59645      359.0965 5.156103 367.9235 5.245174 -8.826965      7.355083 
1 1 1 5  23 9  o 241.3206 3.520791 584.0477       16.91783      560.5979       26.00727      607.5682       21.65029      236.3989 5.500716 246.2424 4.396133 -9.843460      7.041581 
1 1 1 5  23 10 o 100.8662 3.160320 102.0171       6.374650      97.27043       8.848563      106.7637       9.181536      98.51737 4.490864 103.2151 4.447767 -4.697746      6.320640 
1 1 1 5  23 11 o 199.8224 2.787395 400.0627       11.12269      391.0654       16.54235      409.0600       14.87749      197.5519 4.186835 202.0928 3.680856 -4.540833      5.574791 
1 1 1 5  23 12 o 219.0112 2.606434 480.4720       11.42024      479.2677       16.03935      481.6763       16.25188      218.7386 3.666327 219.2837 3.705675 -0.5450439     5.212867 
1 1 1 5  23 13 o 71.57853 3.812992 51.49736       5.467123      47.95510       7.367898      55.03254       8.076350      69.11931 5.329841 74.03775 5.454211 -4.918442      7.625984 
1 1 1 5  23 14 o 325.4725 2.995396 1061.969       19.50368      1095.266       28.12554      1029.380       27.02743      330.5165 4.254786 320.4285 4.217390 10.08801       5.990791 
1 1 1 5  23 15 o 142.1321 2.663563 202.6172       7.566265      214.0941       10.74721      191.2111       10.64803      146.1555 3.676637 138.1087 3.854946 8.046814       5.327125 
1 1 1 5  23 16 o 28.85265 6.905916 7.906322       4.755128      6.986751       6.576558      8.827310       6.869856      27.67142 9.650177 30.03388 9.881335 -2.362463      13.81183 
1 1 1 5  23 17 o 147.1619 3.219907 217.5655       9.479085      218.4157       14.02026      216.7154       12.75922      147.4189 4.755246 146.9049 4.342678 0.5139313      6.439815 
1 1 1 5  23 18 o 116.9022 3.228291 137.3688       7.523758      143.8866       10.18045      130.9219       11.08727      119.6990 4.252523 114.1055 4.858344 5.593498       6.456583 
1 1 1 5  23 19 o 67.91487 4.605620 46.80741       6.148653      52.93552       7.977167      40.67222       9.358648      72.48399 5.502710 63.34576 7.386957 9.138222       9.211241 
1 1 1 5  23 20 o 118.0223 3.187099 140.1318       7.516674      142.7530       10.01042      137.5105       11.20771      119.1722 4.199984 116.8725 4.794846 2.299713       6.374199 
1 1 1 5  23 21 o 169.7841 2.580846 289.4026       8.756464      296.4162       12.16412      282.4597       12.60336      171.8509 3.539149 167.7172 3.757324 4.133652       5.161691 
1 1 1 5  23 22 o 129.8979 2.740802 169.6034       7.127024      166.9112       9.542846      172.2955       10.58427      128.8958 3.701767 130.9001 4.042882 -2.004257      5.481604 
1 1 1 5  23 23 o 84.89812 3.831363 72.75800       6.496503      73.32476       7.892153      72.26208       10.32214      85.32140 4.624955 84.47484 6.109596 0.8465576      7.662726 
1 1 1 5  23 24 o 51.71884 5.165266 27.65087       5.356604      21.49443       6.813181      33.81440       8.267632      45.86772 7.426990 57.56997 7.180509 -11.70225      10.33053 
1 1 1 5  23 25 o 63.96868 5.083086 41.87658       6.580809      37.86674       7.672533      45.88642       10.69054      61.05252 6.283552 66.88485 7.991748 -5.832333      10.16617 
1 1 1 5  23 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  23 27 o 93.60503 3.623483 88.83985       6.773507      90.39845       8.820225      87.35210       10.27963      94.51991 4.665802 92.69013 5.545162 1.829781       7.246967 
1 1 1 5  23 28 o 61.09327 5.276055 38.69564       6.277591      43.70439       7.552096      33.68688       10.02459      65.45922 5.768550 56.72732 8.835772 8.731903       10.55211 
1 1 1 5  23 29 o 109.1899 3.307494 121.0744       7.183701      125.2543       8.891070      116.8945       11.29272      111.2979 3.994265 107.0818 5.272941 4.216125       6.614987 
1 1 1 5  23 30 o 58.82553 5.015937 36.08145       5.899278      37.28582       8.345562      34.87000       8.338477      59.85117 6.971930 57.79990 7.213229 2.051270       10.03187 
1 1 1 5  23 31 o 70.34697 4.498312 51.84450       6.226583      42.32999       8.919409      61.35901       8.685618      63.54864 7.017780 77.14530 5.629389 -13.59666      8.996625 
1 1 1 5  23 32 o 79.59148 3.518270 65.17048       5.608104      63.37101       7.374983      66.97704       8.451830      78.61338 4.690667 80.56959 5.245050 -1.956207      7.036541 
1 1 1 5  23 33 o 24.18103 6.910934 4.272672       5.230500      3.380023       8.026759      5.165322       6.706913      24.01852 10.02560 24.34353 9.514797 -0.3250046     13.82187 
1 1 1 5  23 34 f 42.86679 6.202452 21.05519       5.180908      15.22463       8.579351      26.89283       5.804345      35.19635 10.99562 50.53724 5.742642 -15.34088      12.40490 
1 1 1 5  23 35 o 25.66276 6.579178 8.076350       4.497961      11.69654       6.735959      4.466080       5.963747      29.62519 9.784561 21.70033 8.797995 7.924856       13.15836 
1 1 1 5  23 36 o 72.58965 3.215872 56.18023       4.665863      68.46478       7.112856      43.89567       6.040260      80.73614 4.405001 64.44315 4.686502 16.29298       6.431745 
1 1 1 5  23 37 o 30.44173 5.323398 11.71071       3.409070      17.16579       5.322598      6.259171       4.262046      37.98910 7.264848 22.89437 7.783075 15.09473       10.64680 
1 1 1 5  23 38 o 14.02315 4.602479 -2.094184      3.114354      -2.692825      4.466789      -1.494833      4.341393      13.72775 6.435835 14.31855 6.581131 -0.5907974     9.204958 
1 1 1 5  24 0  o 124.1775 4.215343 154.8676       10.44258      154.8676       10.44258      154.8676       10.44258      124.1775 4.215343 124.1775 4.215343 -0.000000      0.000000 
1 1 1 5  24 1  o 162.4626 2.706644 264.3942       8.791886      273.0373       12.61044      255.7511       12.26330      165.1193 3.818584 159.8058 3.836938 5.313492       5.413287 
1 1 1 5  24 2  f 283.0350 3.273613 803.3843       18.54018      775.7547       25.58219      830.3055       26.83615      278.2311 4.597292 287.8390 4.661661 -9.607849      6.547227 
1 1 1 5  24 3  o 143.0860 3.165405 205.3093       9.061099      193.8324       12.51126      216.7862       13.10636      139.0822 4.497793 147.0898 4.455224 -8.007599      6.330811 
1 1 1 5  24 4  o 116.2225 3.379066 135.3851       7.856731      131.4886       10.89599      139.3525       11.32106      114.5361 4.756572 117.9088 4.800768 -3.372704      6.758132 
1 1 1 5  24 5  o 154.3789 3.095156 238.8899       9.557014      229.8926       13.31889      247.8873       13.70854      151.4693 4.396566 157.2885 4.357771 -5.819183      6.190312 
1 1 1 5  24 6  o 144.4247 2.743554 208.9933       7.927575      203.5382       11.02351      214.3775       11.39190      142.5522 3.866481 146.2971 3.893414 -3.744904      5.487107 
1 1 1 5  24 7  o 151.4256 2.704970 229.8218       8.189702      240.0235       11.76030      219.5492       11.40607      154.8020 3.798497 148.0491 3.852125 6.752945       5.409940 
1 1 1 5  24 8  o 198.1085 2.804193 393.2616       11.08727      403.6758       14.77830      382.8474       16.54235      200.7574 3.680638 195.4597 4.231653 5.297729       5.608385 
1 1 1 5  24 9  o 54.80372 4.874249 30.21547       5.341726      29.79040       7.474166      30.63345       7.637110      54.42260 6.866786 55.18484 6.919573 -0.7622414     9.748499 
1 1 1 5  24 10 o 138.1720 2.748867 191.5654       7.587519      207.0804       10.85348      176.1211       10.59844      143.7703 3.774590 132.5736 3.997192 11.19678       5.497733 
1 1 1 5  24 11 o 135.1220 2.954102 183.2765       8.019674      170.4535       10.20170      196.0286       12.38374      130.4213 3.911057 139.8226 4.428374 -9.401291      5.908204 
1 1 1 5  24 12 o 87.95271 3.328804 77.78800       5.856062      70.03046       7.970083      85.58098       8.579351      83.54322 4.770036 92.36221 4.644405 -8.818993      6.657608 
1 1 1 5  24 13 f 31.92735 7.091969 9.911241       5.223415      6.493669       7.700871      13.32598       7.061139      28.22213 10.38165 35.63257 9.664652 -7.410446      14.18394 
1 1 1 5  24 14 o 154.1490 2.999315 238.4649       9.238212      241.7237       12.65295      235.2060       13.47475      155.2230 4.075732 153.0749 4.401360 2.148132       5.998630 
1 1 1 5  24 15 o 216.2378 3.018505 469.4910       13.05677      467.5073       18.05844      471.4038       18.85899      215.8060 4.183951 216.6695 4.352016 -0.8635406     6.037011 
1 1 1 5  24 16 o 107.9770 3.419868 117.2488       7.374983      120.5076       9.953747      113.9899       10.88182      109.5122 4.544584 106.4418 5.111628 3.070389       6.839736 
1 1 1 5  24 17 o 95.26070 3.519690 91.31944       6.702662      91.53197       8.352647      91.03606       10.48509      95.45393 4.375225 95.06746 5.514551 0.3864670      7.039379 
1 1 1 5  24 18 o 104.1386 3.023107 109.1016       6.281133      114.6983       8.650196      103.4340       9.110690      106.8563 4.047582 101.4209 4.491524 5.435410       6.046215 
1 1 1 5  24 19 o 141.8508 2.688504 202.1213       7.622942      207.4347       10.74013      196.8079       10.82514      143.7261 3.736319 139.9755 3.866799 3.750595       5.377008 
1 1 1 5  24 20 o 28.83475 6.479152 6.614814       4.918780      14.13361       6.623316      -0.9068182     7.275800      36.44024 9.104493 21.22926 9.220945 15.21098       12.95830 
1 1 1 5  24 21 o 167.4753 2.618788 282.0347       8.784801      268.1490       11.86657      295.9203       12.95050      163.3658 3.631902 171.5848 3.773790 -8.219009      5.237576 
1 1 1 5  24 22 o 42.74811 6.472697 19.48242       5.379983      21.59361       7.134109      17.36415       8.055097      45.29154 8.174851 40.20468 10.03768 5.086857       12.94539 
1 1 1 5  24 23 o 107.3837 3.365527 116.3986       7.226208      111.3686       10.09544      121.4286       10.34340      105.0532 4.804915 109.7141 4.713797 -4.660843      6.731054 
1 1 1 5  24 24 o 29.01103 6.828397 4.507170       5.831975      15.21754       7.537927      -6.201078      8.905238      37.56353 9.894993 20.45852 9.412606 17.10501       13.65679 
1 1 1 5  24 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  24 26 o 64.35992 4.863193 42.79757       6.135192      50.32133       8.324308      35.26673       9.018591      70.27125 5.922983 58.44861 7.714975 11.82264       9.726385 
1 1 1 5  24 27 f 46.69544 6.118827 23.74730       5.580475      16.08894       7.275800      31.39858       8.465999      38.33650 9.520669 55.05438 7.688760 -16.71788      12.23765 
1 1 1 5  24 28 o 70.03922 4.277067 50.61888       5.887234      58.76608       7.984251      42.47168       8.657280      75.92557 5.257946 64.15286 6.747384 11.77271       8.554133 
1 1 1 5  24 29 o 90.02655 3.466240 82.81801       6.262005      77.22124       8.203872      88.34394       9.457831      87.06708 4.711236 92.98602 5.085620 -5.918945      6.932480 
1 1 1 5  24 30 o 128.2229 3.501112 169.3200       9.195704      145.7994       9.691620      192.7697       15.62136      119.7857 4.045399 136.6601 5.715406 -16.87440      7.002223 
1 1 1 5  24 31 o 93.60091 3.647507 90.32761       6.794761      92.59465       8.232210      87.98971       10.81097      95.20805 4.323275 91.99376 5.875928 3.214287       7.295014 
1 1 1 5  24 32 o 61.46296 4.754709 40.54470       5.820640      47.79216       8.607689      33.29723       7.835476      67.17260 6.407143 55.75332 7.026915 11.41928       9.509418 
1 1 1 5  24 33 o 76.71757 4.187910 62.09580       6.366856      54.26032       9.153197      69.93128       8.855647      71.54687 6.396645 81.88827 5.407153 -10.34140      8.375820 
1 1 1 5  24 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  24 35 o 27.14356 6.773574 8.983169       4.789134      8.168448       7.835476      9.804973       5.510338      26.25767 10.27986 28.02945 8.823249 -1.771774      13.54715 
1 1 1 5  24 36 o 62.49524 5.029072 45.23465       6.333559      50.10171       11.42733      40.37467       5.472082      63.28889 9.027909 61.70159 4.434312 1.587307       10.05814 
1 1 1 5  24 37 o 59.61700 3.468985 39.01444       4.153653      43.92401       6.328599      34.09778       5.382108      63.28848 4.999804 55.94553 4.810133 7.342953       6.937969 
1 1 1 5  24 38 o 16.72987 4.816968 -0.4447661E-01 3.124981      -5.976499      4.753712      5.887943       4.057303      12.24157 5.969348 21.21818 7.561720 -8.976611      9.633936 
1 1 1 5  25 0  o 254.4834 5.482953 649.6503       27.87758      649.6503       27.87758      649.6503       27.87758      254.4834 5.482953 254.4834 5.482953 -0.000000      0.000000 
1 1 1 5  25 1  o 199.8665 3.671902 400.7712       14.67912      392.0572       20.52385      409.4851       20.99143      197.6937 5.190821 202.0394 5.194886 -4.345688      7.343804 
1 1 1 5  25 2  o 145.6406 3.138313 212.6064       9.139028      213.9524       12.77339      211.2603       13.07802      146.1067 4.371252 145.1745 4.504241 0.9321899      6.276626 
1 1 1 5  25 3  o 68.36952 4.497825 46.97035       6.146527      47.16164       8.140111      46.77907       9.216957      68.52985 5.939098 68.20918 6.756391 0.3206711      8.995649 
1 1 1 5  25 4  o 127.0335 2.853255 161.6687       7.247461      164.0066       10.26547      159.4016       10.23713      127.9394 4.011847 126.1276 4.058242 1.811783       5.706509 
1 1 1 5  25 5  o 196.2786 2.647378 385.8937       10.39299      387.0272       14.63661      384.8310       14.75705      196.5597 3.723198 195.9974 3.764603 0.5622711      5.294756 
1 1 1 5  25 6  o 128.0059 2.850233 164.2191       7.297054      167.9739       10.37882      160.4643       10.25838      129.4710 4.008163 126.5408 4.053387 2.930161       5.700466 
1 1 1 5  25 7  o 51.54330 5.523606 28.06178       5.323307      18.30639       7.403321      37.81715       7.651280      41.74943 9.118110 61.33718 6.237065 -19.58775      11.04721 
1 1 1 5  25 8  o 123.5593 3.406519 153.1673       8.423491      155.1509       12.33415      151.1836       11.46984      124.3475 4.959546 122.7710 4.671231 1.576538       6.813039 
1 1 1 5  25 9  o 94.51295 3.313997 89.61916       6.266256      88.62732       8.742295      90.61098       8.976085      93.99229 4.650538 95.03363 4.722583 -1.041344      6.627994 
1 1 1 5  25 10 f 211.0101 3.354374 447.1039       14.20446      467.0822       21.88408      427.1255       18.11511      215.6718 5.073467 206.3485 4.389447 9.323334       6.708749 
1 1 1 5  25 11 o 112.4082 4.239973 127.5213       9.578268      114.4858       12.35540      140.5568       14.63661      106.6723 5.791285 118.1441 6.194392 -11.47172      8.479945 
1 1 1 5  25 12 o 236.3419 3.462144 562.0148       16.47150      602.5382       25.90100      521.5622       20.36090      244.7694 5.290898 227.9145 4.466785 16.85489       6.924288 
1 1 1 5  25 13 o 23.46045 7.090154 -0.3082474     5.964456      1.598267       7.750463      -2.214620      9.068183      23.85525 9.897689 23.06564 10.15465 0.7896137      14.18031 
1 1 1 5  25 14 o 41.63160 6.405051 18.37016       5.189409      21.11186       7.169532      15.62136       7.509589      44.89872 8.296124 38.36449 9.760790 6.534233       12.81010 
1 1 1 5  25 15 o 62.42872 4.360070 39.33324       5.438076      40.38884       7.523758      38.27765       7.856731      63.28637 5.944217 61.57106 6.380213 1.715305       8.720140 
1 1 1 5  25 16 o 105.1048 3.097566 111.0852       6.508547      113.4940       9.068183      108.6057       9.337394      106.2754 4.266361 103.9342 4.491975 2.341202       6.195133 
1 1 1 5  25 17 o 93.77979 3.311198 88.48563       6.210288      87.98971       8.558097      89.05238       9.004422      93.51204 4.575933 94.04753 4.787166 -0.5354919     6.622396 
1 1 1 5  25 18 o 102.6045 3.153807 105.9135       6.477375      102.9380       8.820225      108.8890       9.486169      101.1764 4.358836 104.0327 4.559225 -2.856331      6.307613 
1 1 1 5  25 19 o 41.71190 6.468455 18.63228       5.268756      15.86224       7.034218      21.39524       7.849646      38.53206 9.234398 44.89174 9.060328 -6.359680      12.93691 
1 1 1 5  25 20 o 34.08491 6.748685 12.26330       5.168864      4.983958       6.679283      19.53910       7.892153      25.42813 9.605175 42.74169 9.482596 -17.31356      13.49737 
1 1 1 5  25 21 o 32.39505 6.779734 9.996255       5.260254      16.69821       6.910948      3.293592       7.934660      39.52673 8.949008 25.26336 10.18697 14.26337       13.55947 
1 1 1 5  25 22 o 117.8806 3.127278 140.0609       7.367898      141.6195       10.10252      138.4315       10.73304      118.5840 4.259649 117.1773 4.579833 1.406708       6.254557 
1 1 1 5  25 23 o 107.3882 3.857263 116.8945       8.281801      118.8074       11.68237      114.9817       11.74613      108.2828 5.394379 106.4937 5.514944 1.789146       7.714527 
1 1 1 5  25 24 o 31.17471 9.830461 0.5668323E-01  12.75922      -19.70913      9.939578      19.82248       23.50643      16.95900 8.353416 45.39041 17.79810 -28.43141      19.66092 
1 1 1 5  25 25 o 96.46416 3.641035 94.43663       7.026425      93.86986       9.316141      94.93254       10.52051      96.27325 4.838385 96.65507 5.442296 -0.3818130     7.282071 
1 1 1 5  25 26 o 146.8287 3.032683 218.0614       8.905238      217.9198       12.79464      218.2032       12.39082      146.7534 4.359230 146.9040 4.217320 -0.1505280     6.065367 
1 1 1 5  25 27 o 31.25394 7.302398 10.26547       5.406904      6.835143       7.022174      13.69437       8.225125      27.22907 9.923597 35.27882 10.71552 -8.049747      14.60480 
1 1 1 5  25 28 o 90.50473 3.560220 83.73900       6.446203      83.31393       8.735210      84.09322       9.479085      90.37021 4.833014 90.63925 5.229018 -0.2690430     7.120439 
1 1 1 5  25 29 o 37.59718 6.789388 16.07477       5.189409      12.20662       6.977541      19.94292       7.686701      33.02058 9.837511 42.17377 9.359838 -9.153194      13.57878 
1 1 1 5  25 30 o 95.17097 3.398077 93.30310       6.404404      104.7092       8.763549      81.89703       9.337394      101.2419 4.328025 89.10004 5.239838 12.14186       6.796154 
1 1 1 5  25 31 o 71.93893 4.029001 54.14697       5.795135      54.69248       7.927575      53.60855       8.451830      72.42211 5.473174 71.45576 5.914031 0.9663544      8.058002 
1 1 1 5  25 32 o 26.48062 7.362182 5.274423       6.116064      -1.698159      7.863815      12.24913       9.365732      20.47273 9.198340 32.48851 11.49771 -12.01578      14.72436 
1 1 1 5  25 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  25 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  25 35 o 94.34788 3.112806 94.22409       5.881567      97.55381       8.713958      90.82352       7.899237      95.86417 4.544950 92.83158 4.254607 3.032593       6.225612 
1 1 1 5  25 36 o 24.88192 6.107474 7.856731       3.887983      5.998462       5.998462      9.712874       4.948535      22.53852 8.943364 27.22532 8.319927 -4.686804      12.21495 
1 1 1 5  25 37 o 43.95891 6.531743 27.27539       5.742710      25.74514       10.40007      28.79856       4.873440      36.93017 12.15794 50.98766 4.779039 -14.05749      13.06349 
1 1 1 5  26 0  o 174.1886 3.761956 304.1384       13.09219      304.1384       13.09219      304.1384       13.09219      174.1886 3.761956 174.1886 3.761956 0.000000       0.000000 
1 1 1 5  26 1  o 74.05893 3.884694 55.15297       5.743419      59.14156       8.140111      51.15730       8.104689      76.75349 5.302763 71.36436 5.678387 5.389122       7.769387 
1 1 1 5  26 2  f 122.1504 3.530123 150.6169       8.409323      127.3796       13.10636      173.8541       10.52759      112.5949 5.820140 131.7060 3.996627 -19.11111      7.060245 
1 1 1 5  26 3  o 52.43168 6.000088 28.22472       6.135900      30.72555       8.699788      25.73097       8.657280      55.18605 7.882234 49.67731 9.048459 5.508743       12.00018 
1 1 1 5  26 4  o 29.21334 7.516707 7.127024       5.693827      7.247461       8.104689      6.998795       8.005506      29.38122 10.66568 29.04545 10.59466 0.3357735      15.03341 
1 1 1 5  26 5  o 99.94447 3.732176 100.3168       7.459997      101.3086       10.32214      99.32494       10.76847      100.4497 5.137969 99.43928 5.414595 1.010376       7.464352 
1 1 1 5  26 6  o 75.82475 5.479234 58.80858       8.317224      45.61721       10.66928      71.97870       12.75922      67.19852 7.938631 84.45099 7.554214 -17.25247      10.95847 
1 1 1 5  26 7  f 139.2663 3.734899 195.0368       10.30797      207.1513       12.69546      182.9931       16.24480      143.6833 4.417860 134.8492 6.023320 8.834106       7.469798 
1 1 1 5  26 8  o 156.9808 3.610610 247.6748       11.30689      242.0071       17.33581      253.3424       14.53035      155.1083 5.588294 158.8534 4.573509 -3.745041      7.221219 
1 1 1 5  26 9  o 111.2091 3.549473 124.4041       7.906322      117.6738       10.60552      131.1344       11.73196      108.2121 4.900342 114.2061 5.136310 -5.994064      7.098946 
1 1 1 5  26 10 o 198.4008 2.914242 395.1744       11.58319      406.2262       17.62628      384.1226       15.04043      201.1276 4.381865 195.6739 3.843240 5.453781       5.828485 
1 1 1 5  26 11 o 37.52944 6.894864 14.89166       5.261672      17.25788       7.304138      12.53251       7.580434      40.36629 9.242119 34.69258 10.23425 5.673714       13.78973 
1 1 1 5  26 12 o 46.40494 5.907050 22.25247       5.369356      20.77889       7.459997      23.72605       7.729208      44.46220 8.699374 48.34767 7.993362 -3.885464      11.81410 
1 1 1 5  26 13 o 168.0967 2.879338 283.8766       9.712874      269.9201       12.40499      297.8331       14.95542      164.0083 3.781819 172.1851 4.342832 -8.176804      5.758676 
1 1 1 5  26 14 o 120.9847 2.971051 147.0746       7.190785      142.6822       10.04585      151.5378       10.28672      119.1617 4.215217 122.8077 4.188140 -3.646034      5.942101 
1 1 1 5  26 15 f 186.1543 2.674579 348.0623       9.960832      337.0105       13.67312      359.1851       14.49492      183.1994 3.731759 189.1091 3.832423 -5.909698      5.349158 
1 1 1 5  26 16 o 182.5833 2.681816 334.8143       9.797889      327.9423       13.58811      341.6863       14.11236      180.7160 3.759519 184.4505 3.825514 -3.734467      5.363631 
1 1 1 5  26 17 o 37.13089 6.997986 14.71454       5.295677      14.62953       7.311223      14.79956       7.658363      37.02187 9.741725 37.23991 10.04918 -0.2180367     13.99597 
1 1 1 5  26 18 o 165.0350 2.759397 273.8875       9.110690      271.4079       12.60336      276.2962       13.15595      164.3137 3.835150 165.7562 3.968463 -1.442490      5.518794 
1 1 1 5  26 19 o 77.57925 3.953098 60.84893       6.136609      59.09196       8.395153      62.60588       8.954830      76.47394 5.488899 78.68456 5.690335 -2.210625      7.906196 
1 1 1 5  26 20 o 100.6501 3.421329 102.3713       6.900320      95.14508       9.209873      109.5975       10.27963      97.11153 4.741906 104.1887 4.933184 -7.077133      6.842658 
1 1 1 5  26 21 f 19.77058 6.444789 -6.354813      5.952412      -9.677451      7.962997      -3.033591      8.848563      17.48245 8.328302 22.05871 9.837713 -4.576258      12.88958 
1 1 1 5  26 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  26 23 o 106.4914 3.866289 115.3360       8.210957      120.0826       11.14395      110.5893       12.07202      108.7905 5.121747 104.1924 5.793140 4.598129       7.732578 
1 1 1 5  26 24 o 26.32001 7.012979 0.5756171      6.247128      11.20062       7.587519      -10.05293      9.925409      32.57815 10.36539 20.06187 9.449138 12.51627       14.02596 
1 1 1 5  26 25 o 52.38324 6.036571 29.70539       5.890069      38.29890       7.856731      21.11186       8.777717      61.07285 6.432261 43.69364 10.21698 17.37920       12.07314 
1 1 1 5  26 26 o 20.80446 9.350556 0.000000       0.000000      ?              ?             -2.884107      8.133026      ?        ?        20.80446 9.350556 ?              ?        
1 1 1 5  26 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  26 28 o 77.53912 3.851033 61.83367       5.972248      61.77699       8.005506      61.89035       8.862731      77.61439 5.157230 77.46386 5.720560 0.1505280      7.702066 
1 1 1 5  26 29 o 39.33155 6.934103 17.76797       5.457204      18.78106       7.297054      16.76197       8.118857      40.71256 9.180490 37.95053 10.39450 2.762028       13.86821 
1 1 1 5  26 30 o 34.72956 7.140834 14.30364       5.265922      13.61644       6.930784      14.99084       7.934660      34.04433 9.704468 35.41479 10.47804 -1.370461      14.28167 
1 1 1 5  26 31 o 87.78823 4.098753 81.96787       7.068224      61.79825       9.705790      102.1587       10.27963      76.41271 6.350900 99.16375 5.183162 -22.75104      8.197506 
1 1 1 5  26 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  26 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  26 34 o 29.23367 6.929020 11.25021       4.935784      10.91016       5.620148      11.59735       8.111773      29.27114 8.850982 29.19619 10.66327 0.7494354E-01  13.85804 
1 1 1 5  26 35 o 40.98579 6.069583 21.75655       4.866355      19.45408       5.827016      24.05902       7.792970      39.78198 7.595709 42.18960 9.469138 -2.407619      12.13917 
1 1 1 5  26 36 o 31.80392 6.548178 14.74288       4.425699      15.84807       6.631108      13.63061       5.863147      32.69547 9.548757 30.91236 8.963022 1.783104       13.09636 
1 1 1 5  27 0  o 20.44039 11.44345 5.825599       6.930784      5.825599       6.930784      5.825599       6.930784      20.44039 11.44345 20.44039 11.44345 0.000000       0.000000 
1 1 1 5  27 1  o 122.5450 2.984440 150.6877       7.311223      155.3635       10.31506      146.0827       10.36465      124.4394 4.144612 120.6507 4.295314 3.788689       5.968880 
1 1 1 5  27 2  o 114.8195 3.523329 132.7639       8.111773      121.1453       10.77555      144.3116       12.12161      109.8082 4.906532 119.8309 5.057800 -10.02265      7.046659 
1 1 1 5  27 3  o 57.08546 5.681341 33.01385       6.477375      33.95610       8.806056      32.07161       9.500339      57.93856 7.599478 56.23237 8.447393 1.706188       11.36268 
1 1 1 5  27 4  o 63.80947 5.784595 43.07387       6.738085      57.93010       9.224042      28.21763       9.826226      75.82365 6.082563 51.79529 9.841166 24.02836       11.56919 
1 1 1 5  27 5  o 184.9190 3.166617 343.4574       11.71071      351.4629       16.46442      335.4519       16.64862      187.0880 4.400181 182.7500 4.555026 4.337997       6.333234 
1 1 1 5  27 6  o 54.93222 5.153542 30.81057       5.610938      24.90208       7.722124      36.71906       8.140111      49.57090 7.788969 60.29354 6.750401 -10.72263      10.30708 
1 1 1 5  27 7  o 92.08807 3.919634 85.43929       7.219123      83.88069       10.15920      86.92703       10.25838      91.26419 5.565819 92.91194 5.520486 -1.647751      7.839267 
1 1 1 5  27 8  o 126.8141 3.777660 162.1646       9.493254      175.7669       12.33415      148.5623       14.43116      132.2418 4.663484 121.3864 5.944307 10.85533       7.555320 
1 1 1 5  27 9  f 142.7052 3.238401 204.6717       9.245295      200.7752       12.97175      208.5682       13.17012      141.3453 4.588674 144.0651 4.570891 -2.719772      6.476803 
1 1 1 5  27 10 o 82.82130 4.199705 69.32201       6.942119      62.71924       9.684536      75.94603       9.946663      78.83808 6.142042 86.80451 5.729347 -7.966431      8.399410 
1 1 1 5  27 11 f 148.7599 3.205841 222.7372       9.521592      236.6938       13.45350      208.7099       13.48184      153.4636 4.383286 144.0562 4.679367 9.407379       6.411683 
1 1 1 5  27 12 f 27.32979 7.099617 5.801512       5.278674      1.810094       7.134109      9.790804       7.785885      23.11728 9.537202 31.54231 10.51951 -8.425032      14.19923 
1 1 1 5  27 13 o 126.2067 2.933511 160.7477       7.403321      140.9111       9.975000      180.5135       10.94558      118.3921 4.212698 134.0214 4.083519 -15.62935      5.867023 
1 1 1 5  27 14 o 100.7690 3.356852 102.2296       6.768548      99.89171       9.245295      104.5675       9.889987      99.63141 4.639750 101.9065 4.852479 -2.275124      6.713705 
1 1 1 5  27 15 o 74.00993 4.059427 55.39384       5.992794      58.49686       8.267632      52.29791       8.678535      76.12282 5.430456 71.89705 6.035390 4.225769       8.118854 
1 1 1 5  27 16 o 179.0509 2.783348 322.5581       9.960832      336.5854       14.13361      308.4599       14.04151      182.9747 3.862177 175.1271 4.008950 7.847595       5.566695 
1 1 1 5  27 17 o 45.94190 6.670350 22.50043       5.925491      21.53693       8.225125      23.45684       8.529759      44.92698 9.452027 46.95683 9.414533 -2.029842      13.34070 
1 1 1 5  27 18 o 45.67678 6.482088 22.89716       5.896444      35.93267       8.040927      9.861650       8.621859      59.41291 6.766987 31.94066 11.05793 27.47226       12.96418 
1 1 1 5  27 19 o 128.1947 3.144512 165.7069       8.069265      156.4970       11.05185      174.9876       11.75322      124.6193 4.434244 131.7701 4.459743 -7.150757      6.289024 
1 1 1 5  27 20 o 69.29936 5.364371 49.32241       7.445828      47.15455       10.03876      51.49028       10.99517      67.81882 7.401162 70.77991 7.767155 -2.961098      10.72874 
1 1 1 5  27 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  27 22 o 101.9482 3.745617 105.4885       7.644195      104.0716       10.36465      106.9762       11.22896      101.2981 5.115917 102.5984 5.472291 -1.300293      7.491234 
1 1 1 5  27 23 f 63.00016 5.031985 40.87767       6.335684      41.55070       8.593520      40.21172       9.309056      63.60670 6.755201 62.39362 7.459943 1.213085       10.06397 
1 1 1 5  27 24 o 35.41447 7.974547 13.58102       6.453288      13.25513       7.778800      13.89982       10.30089      34.80308 10.39076 36.02586 12.09982 -1.222775      15.94909 
1 1 1 5  27 25 o 138.4494 2.972189 194.3283       8.239295      187.1729       11.07310      201.4837       12.20662      135.9559 4.072312 140.9429 4.330346 -4.986908      5.944377 
1 1 1 5  27 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  27 27 o 63.64063 4.671164 42.28749       5.958079      38.62479       7.920490      45.94310       8.905238      60.92237 6.500478 66.35887 6.709908 -5.436497      9.342327 
1 1 1 5  27 28 o 26.98762 7.119386 6.867732       5.212788      7.842561       6.883317      5.891485       7.828392      27.63280 9.849051 26.34245 10.28294 1.290350       14.23877 
1 1 1 5  27 29 o 21.46846 6.425980 0.6577267E-01  5.151153      -6.700537      6.773507      6.832309       7.764632      16.28101 7.720403 26.65592 10.27464 -10.37490      12.85196 
1 1 1 5  27 30 o 37.76306 7.409795 17.16579       5.822057      18.03010       7.792970      16.30148       8.657280      38.94498 9.963952 36.58114 10.96995 2.363842       14.81959 
1 1 1 5  27 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  27 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  27 33 o 16.56795 5.444911 -3.226289      4.438450      -1.871021      5.819932      -4.582266      6.703371      16.70505 7.653574 16.43086 7.746677 0.2741928      10.88982 
1 1 1 5  27 34 o 21.96486 6.428637 5.018672       4.658779      4.857854       5.834100      5.180200       7.261631      21.45586 8.700621 22.47386 9.466187 -1.018003      12.85727 
1 1 1 5  27 35 o 34.79351 6.492592 17.23663       4.614855      18.90149       6.423533      15.57885       6.627566      37.10081 8.782127 32.48621 9.565001 4.614601       12.98518 
1 1 1 5  28 0  o 107.1407 6.621606 116.6820       14.07694      116.6820       14.07694      116.6820       14.07694      107.1407 6.621606 107.1407 6.621606 -0.000000      0.000000 
1 1 1 5  28 1  o 76.59219 5.672054 59.54537       8.692703      59.85709       12.61753      59.24074       11.95158      76.76208 8.218593 76.42231 7.819432 0.3397751      11.34411 
1 1 1 5  28 2  o 74.47231 4.656263 56.02437       6.939993      56.69031       10.35048      55.36551       9.245295      74.87438 6.911897 74.07023 6.240899 0.8041534      9.312526 
1 1 1 5  28 3  o 118.4840 3.756005 142.0446       9.089437      162.0938       15.18921      121.9954       9.989170      126.7824 5.990267 110.1857 4.532879 16.59667       7.512010 
1 1 1 5  28 4  o 152.0576 2.832341 232.2305       8.614774      243.6366       12.49709      220.8244       11.86657      155.7933 4.010791 148.3220 4.000273 7.471344       5.664683 
1 1 1 5  28 5  o 77.57944 3.896671 60.62931       6.043802      59.17698       8.586436      62.08163       8.508506      76.64085 5.601735 78.51802 5.418187 -1.877167      7.793343 
1 1 1 5  28 6  o 167.9816 2.786903 283.2390       9.365732      288.6233       13.34015      277.9256       13.14178      169.5689 3.933548 166.3943 3.948989 3.174606       5.573806 
1 1 1 5  28 7  o 90.57061 3.909007 83.24309       7.141194      96.70367       11.17937      69.75417       8.891070      97.92774 5.707968 83.21348 5.342326 14.71426       7.818014 
1 1 1 5  28 8  o 73.96130 4.079937 55.22382       6.032466      57.19331       8.501422      53.25432       8.558097      75.29501 5.645409 72.62761 5.891767 2.667397       8.159874 
1 1 1 5  28 9  o 46.76983 6.634521 23.27264       5.998462      26.17729       8.827310      20.37507       8.125941      49.80241 9.208920 43.73725 9.553179 6.065159       13.26904 
1 1 1 5  28 10 o 175.3849 2.767761 309.0266       9.705790      304.2800       13.63061      313.7733       13.82898      174.0375 3.916000 176.7323 3.912410 -2.694794      5.535522 
1 1 1 5  28 11 o 82.05182 4.153658 68.25224       6.821682      76.58364       10.15211      59.94211       9.117774      87.07755 5.829352 77.02608 5.918628 10.05147       8.307317 
1 1 1 5  28 12 o 107.4231 3.761004 117.1071       8.012589      135.5977       11.42024      98.61649       11.24313      116.0225 4.921566 98.82370 5.688478 17.19875       7.522007 
1 1 1 5  28 13 o 78.34715 4.411225 62.21624       6.911656      62.57755       9.627860      61.84784       9.918325      78.59572 6.124926 78.09858 6.349875 0.4971390      8.822451 
1 1 1 5  28 14 o 117.8663 3.561058 140.2026       8.395153      133.5432       11.64695      146.9329       12.09327      115.0460 5.061867 120.6867 5.010194 -5.640709      7.122116 
1 1 1 5  28 15 o 28.17894 7.550620 5.919823       5.931867      7.438744       7.679617      4.403028       9.046929      28.89444 10.39270 27.46345 10.95624 1.430996       15.10124 
1 1 1 5  28 16 o 111.5543 3.622980 125.8210       8.048012      131.4886       10.52759      120.0826       12.17829      114.1930 4.609563 108.9157 5.590694 5.277290       7.245960 
1 1 1 5  28 17 o 50.90964 6.612833 28.19638       6.465331      17.30748       8.848563      39.07820       9.429493      40.00629 10.80465 61.81299 7.627436 -21.80671      13.22567 
1 1 1 5  28 18 o 70.03568 5.416084 50.59763       7.481250      58.38351       10.29380      42.80466       10.86057      75.64373 6.804136 64.42764 8.428500 11.21609       10.83217 
1 1 1 5  28 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  28 20 o 92.13257 4.382713 87.13957       7.977167      100.6710       11.10144      73.67899       11.46275      99.48721 5.579330 84.77793 6.760456 14.70927       8.765426 
1 1 1 5  28 21 o 52.66977 6.250786 29.33699       6.427074      29.69830       8.593520      28.98276       9.557014      53.53862 8.025533 51.80092 9.585413 1.737701       12.50157 
1 1 1 5  28 22 o 43.20528 7.280301 20.70805       6.218790      18.34182       8.423491      23.07428       9.153197      40.69720 10.32779 45.71334 10.26392 -5.016140      14.56060 
1 1 1 5  28 23 o 47.11642 6.817248 24.41325       6.205329      26.40400       8.508506      22.41541       9.039845      49.34247 8.951598 44.89036 10.28437 4.452110       13.63450 
1 1 1 5  28 24 o 64.62480 5.112929 43.56979       6.609147      44.63955       9.386987      42.49294       9.301972      65.44257 7.171927 63.80703 7.289144 1.635544       10.22586 
1 1 1 5  28 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  28 26 o 24.25040 7.141362 2.505085       5.933284      -2.799093      7.073183      7.807138       9.528677      19.07885 8.639384 29.42195 11.37353 -10.34310      14.28272 
1 1 1 5  28 27 o 21.01871 6.460600 -0.8593521     5.278674      -6.037426      6.855688      4.318014       8.026759      16.89572 7.930390 25.14170 10.20129 -8.245981      12.92120 
1 1 1 5  28 28 o 25.51568 7.031041 5.010880       5.532300      -0.8508506     7.431659      10.87473       8.196787      20.34163 9.045401 30.68974 10.76675 -10.34811      14.06208 
1 1 1 5  28 29 o 24.58993 7.220337 4.381774       5.846144      3.585474       7.870899      5.177365       8.643111      23.67069 9.907136 25.50917 10.50627 -1.838474      14.44067 
1 1 1 5  28 30 o 25.97213 10.94420 9.684536       9.712874      9.684536       9.712874      ?              ?             25.97213 10.94420 ?        ?        ?              ?        
1 1 1 5  28 31 o 24.53583 7.870189 4.821723       8.331393      -1.266003      7.693786      10.91016       14.78539      19.43766 8.864653 29.63400 13.00682 -10.19633      15.74038 
1 1 1 5  28 32 o 36.58282 6.223995 16.95325       5.435950      28.52935       7.410406      5.372899       7.955913      49.46520 7.490525 23.70045 9.942056 25.76474       12.44799 
1 1 1 5  28 33 o 38.26096 6.771321 20.21213       5.200036      17.02410       6.986751      23.39308       7.707955      34.94598 9.674007 41.57595 9.477169 -6.629967      13.54264 
1 1 1 5  28 34 o 27.24358 6.415328 10.57718       4.340684      14.38157       6.039551      6.776341       6.237210      31.76861 9.060105 22.71856 9.085164 9.050047       12.83066 
1 1 1 5  29 0  o 108.9522 4.677577 119.7283       10.15211      119.7283       10.15211      119.7283       10.15211      108.9522 4.677577 108.9522 4.677577 0.000000       0.000000 
1 1 1 5  29 1  o 36.49181 6.961897 13.96358       5.546469      6.893944       7.707955      21.03393       7.977167      28.45702 10.39435 44.52660 9.264420 -16.06958      13.92379 
1 1 1 5  29 2  o 73.56575 4.107839 54.64997       6.045928      55.47178       8.621859      53.82816       8.473083      74.11806 5.816301 73.01344 5.802413 1.104614       8.215677 
1 1 1 5  29 3  o 64.07905 5.124441 42.54961       6.335684      54.72790       8.883986      30.37841       9.039845      73.58681 6.036398 54.57129 8.282602 19.01552       10.24888 
1 1 1 5  29 4  o 64.65161 5.359259 42.50711       6.929367      42.40792       9.975000      42.61337       9.620775      64.55226 7.726299 64.75097 7.429059 -0.1987076     10.71852 
1 1 1 5  29 5  o 42.76437 7.663661 19.65954       6.572307      20.75764       9.642029      18.56852       8.933578      43.92706 10.99112 41.60169 10.68279 2.325371       15.32732 
1 1 1 5  29 6  o 123.0393 3.579348 152.6005       8.813140      158.4807       12.81589      146.7204       12.10036      125.4019 5.109929 120.6768 5.013539 4.725075       7.158697 
1 1 1 5  29 7  o 39.84364 7.792307 16.70529       6.574432      13.70146       10.13086      19.70913       8.380984      36.73489 11.99955 42.95239 9.944392 -6.217499      15.58461 
1 1 1 5  29 8  o 43.32531 6.585091 20.04918       5.724290      27.80673       8.260548      12.29872       7.927575      52.25217 7.904501 34.39845 10.53435 17.85372       13.17018 
1 1 1 5  29 9  o 22.78646 6.796045 -1.663445      5.762547      -9.408240      7.573349      6.080641       8.685618      17.02875 8.116155 28.54418 10.90289 -11.51543      13.59209 
1 1 1 5  29 10 o 48.17098 6.178153 24.42742       5.774590      19.86499       8.076350      28.98276       8.260548      43.06579 9.621636 53.27618 7.752572 -10.21039      12.35631 
1 1 1 5  29 11 o 82.64940 4.096241 69.76833       6.667239      83.24309       9.394071      56.27941       9.464915      90.80901 5.172433 74.48979 6.353163 16.31922       8.192481 
1 1 1 5  29 12 o 64.21088 4.860267 42.20247       6.195411      34.86291       8.536844      49.54203       8.983169      58.52139 7.293780 69.90038 6.425694 -11.37898      9.720534 
1 1 1 5  29 13 o 88.78546 3.841366 79.98421       6.809639      70.84518       9.337394      89.05238       9.918325      83.68792 5.578699 93.88300 5.282280 -10.19508      7.682732 
1 1 1 5  29 14 o 64.73540 5.034257 42.76923       6.505713      44.66788       9.004422      40.86350       9.394071      66.23196 6.797641 63.23884 7.427454 2.993126       10.06851 
1 1 1 5  29 15 o 60.99687 6.117090 38.42642       7.474166      42.74090       11.19354      34.11195       9.918325      64.42470 8.687304 57.56905 8.614286 6.855652       12.23418 
1 1 1 5  29 16 o 83.70766 5.149301 71.76617       8.628942      73.60814       12.46167      69.89585       11.92324      84.77232 7.350080 82.64301 7.213704 2.129303       10.29860 
1 1 1 5  29 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  29 18 o 24.88590 7.807654 -3.185199      7.877984      -7.998421      10.76138      1.625188       11.50526      22.01379 10.21214 27.75801 11.81313 -5.744211      15.61531 
1 1 1 5  29 19 o 52.93600 6.772577 30.34299       6.995961      22.72005       9.231127      37.95884       10.52051      45.51091 10.36948 60.36109 8.714645 -14.85018      13.54515 
1 1 1 5  29 20 o 55.08110 6.476617 32.90759       6.966206      24.08736       8.883986      41.73489       10.73304      46.94356 9.783970 63.21864 8.488830 -16.27507      12.95323 
1 1 1 5  29 21 o 58.43685 5.539981 35.69889       6.410780      40.06295       8.798972      31.34190       9.323226      62.23753 7.068863 54.63618 8.532100 7.601353       11.07996 
1 1 1 5  29 22 o 22.27991 6.867447 -0.6535468     5.799386      -3.396318      7.715039      2.089224       8.664365      19.89084 9.014138 24.66898 10.36304 -4.778139      13.73489 
1 1 1 5  29 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  29 24 o 34.62083 7.218917 12.35540       6.269798      1.217829       8.636027      23.49935       9.089437      23.76513 10.17790 45.47653 10.24019 -21.71140      14.43783 
1 1 1 5  29 25 o 37.84353 7.350538 16.62028       5.751212      17.26497       7.750463      15.97559       8.501422      38.69806 9.958027 36.98900 10.81477 1.709061       14.70108 
1 1 1 5  29 26 o 73.58949 4.360279 57.02328       6.438409      50.24340       8.416408      63.81025       9.748297      69.24654 6.077133 77.93245 6.254324 -8.685913      8.720557 
1 1 1 5  29 27 o 19.72314 6.506819 -4.905321      6.213830      -7.715039      7.530843      -2.094184      9.889987      16.94685 8.080985 22.49942 10.20061 -5.552567      13.01364 
1 1 1 5  29 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  29 29 o 33.91393 8.163263 15.84098       6.675033      12.77339       8.657280      18.91566       10.15920      31.19227 11.05276 36.63559 12.01632 -5.443316      16.32653 
1 1 1 5  29 30 o 18.82692 6.054809 -2.714079      5.214913      2.772172       7.346645      -8.196787      7.403321      21.69764 9.342630 15.95621 7.704420 5.741430       12.10962 
1 1 1 5  29 31 o 32.23231 6.891779 13.94233       4.919489      15.63553       6.500045      12.24205       7.389152      34.62341 9.219872 29.84122 10.24600 4.782188       13.78356 
1 1 1 5  29 32 o 23.18852 6.364715 5.899987       4.583683      0.2087807      6.136609      11.59027       6.811056      17.93185 8.087351 28.44518 9.830216 -10.51333      12.72943 
1 1 1 5  29 33 o 18.62575 5.765785 1.404860       4.315888      5.174532       5.883692      -2.364812      6.315848      21.05579 8.669615 16.19571 7.603611 4.860085       11.53157 
1 1 1 5  30 0  o 38.69711 12.35120 19.17779       8.395153      19.17779       8.395153      19.17779       8.395153      38.69711 12.35120 38.69711 12.35120 -0.000000      0.000000 
1 1 1 5  30 1  o 164.3479 2.907069 271.5496       9.549930      263.9691       13.48184      279.1300       13.53851      162.0435 4.159945 166.6523 4.061903 -4.608887      5.814138 
1 1 1 5  30 2  o 37.88889 7.036838 15.23171       5.741293      22.67046       8.267632      7.792970       7.970083      46.23431 9.267877 29.54346 10.59126 16.69085       14.07368 
1 1 1 5  30 3  o 147.0036 2.911837 217.3530       8.565183      223.7999       12.31289      210.8353       11.90199      149.1949 4.126446 144.8122 4.109456 4.382660       5.823675 
1 1 1 5  30 4  o 104.1886 3.465454 109.3850       7.219123      109.2433       10.20879      109.5975       10.21588      104.1039 4.903176 104.2733 4.898607 -0.1694107     6.930908 
1 1 1 5  30 5  o 36.61580 6.947462 13.80772       5.800095      23.18054       8.246379      4.430658       8.154280      46.72350 9.150944 26.50811 10.45606 20.21539       13.89492 
1 1 1 5  30 6  o 37.96952 8.296348 15.26005       6.974000      18.00176       10.49926      12.51834       9.181536      40.93921 12.03416 34.99984 11.42351 5.939365       16.59270 
1 1 1 5  30 7  o 40.58543 7.011749 16.98867       6.349145      27.51627       8.685618      6.466040       9.259464      51.81984 8.380593 29.35103 11.24385 22.46881       14.02350 
1 1 1 5  30 8  o 44.53635 8.263483 20.43883       8.175533      10.86765       13.05677      30.00293       9.833311      35.87745 13.45773 53.19526 9.593230 -17.31781      16.52697 
1 1 1 5  30 9  f 65.50761 6.008671 44.41993       7.722124      35.47218       11.06602      53.36059       10.77555      58.65976 9.432375 72.35546 7.446260 -13.69570      12.01734 
1 1 1 5  30 10 o 50.39117 7.825116 27.58711       7.693786      30.46342       11.46275      24.71080       10.26547      53.03984 11.15789 47.74251 10.97412 5.297325       15.65023 
1 1 1 5  30 11 o 85.87754 5.075970 75.23758       8.728126      77.71716       12.81589      72.82884       11.84531      87.23171 7.345891 84.52337 7.007123 2.708344       10.15194 
1 1 1 5  30 12 o 32.17564 8.455160 8.806056       7.445828      13.77939       11.69654      3.827765       9.209873      37.24707 12.88107 27.10420 10.95614 10.14288       16.91032 
1 1 1 5  30 13 o 45.63101 7.689302 22.71296       6.933618      20.38924       9.472000      25.03669       10.13086      43.26386 10.93534 47.99817 10.81295 -4.734310      15.37860 
1 1 1 5  30 14 o 80.82565 5.435476 67.26041       8.784801      65.92852       12.27747      68.59231       12.57502      80.03025 7.670518 81.62105 7.703295 -1.590797      10.87095 
1 1 1 5  30 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  30 16 o 87.79185 4.490853 78.77983       7.885069      79.13406       11.28564      78.42561       11.01642      87.97015 6.414470 87.61356 6.286941 0.3565903      8.981707 
1 1 1 5  30 17 o 52.69554 7.261066 29.94626       7.438744      33.56644       9.486169      26.32607       11.46275      56.85326 8.342679 48.53783 11.88663 8.315434       14.52213 
1 1 1 5  30 18 o 28.44081 7.317808 4.385316       6.294595      14.18321       8.813140      -5.409738      8.990252      36.09794 11.11784 20.78367 9.518131 15.31427       14.63562 
1 1 1 5  30 19 o 74.65540 4.946087 57.83800       7.396237      65.58138       11.07310      50.09462       9.804973      79.69151 6.947479 69.61929 7.041851 10.07222       9.892175 
1 1 1 5  30 20 o 48.75255 6.904345 26.29065       6.517756      29.59203       9.719957      22.98926       8.685618      51.92383 9.719594 45.58126 9.808640 6.342571       13.80869 
1 1 1 5  30 21 o 84.38684 4.805418 74.88335       8.040927      59.37534       10.89599      90.32761       11.83114      75.35456 7.229814 93.41911 6.332294 -18.06455      9.610835 
1 1 1 5  30 22 o 41.22232 15.81528 0.000000       0.000000      ?              ?             19.73747       18.34182      ?        ?        41.22232 15.81528 ?              ?        
1 1 1 5  30 23 o 32.90747 7.923904 12.02951       6.298845      9.252379       7.984251      14.80664       9.748297      29.86934 10.61137 35.94561 11.77081 -6.076269      15.84781 
1 1 1 5  30 24 o 37.18656 7.574265 13.76522       7.325392      25.91516       8.954830      1.607477       11.59735      47.69605 9.724384 26.67708 11.61526 21.01897       15.14853 
1 1 1 5  30 25 o 22.20701 6.874408 -4.425699      6.602063      6.370398       8.806056      -15.22463      9.840395      26.98287 10.79319 17.43116 8.516862 9.551714       13.74882 
1 1 1 5  30 26 f 32.97998 7.987502 11.76738       6.867732      17.30748       8.777717      6.217373       10.56302      37.77903 10.97094 28.18094 11.61203 9.598093       15.97500 
1 1 1 5  30 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  30 28 o 28.91722 6.966289 8.253463       5.756171      17.58377       7.899237      -1.078972      8.373900      37.10776 10.29100 20.72667 9.392130 16.38109       13.93258 
1 1 1 5  30 29 o 65.38625 4.435544 47.39542       5.778132      38.54686       7.707955      56.24399       8.614774      58.97826 6.534573 71.79423 5.999629 -12.81596      8.871087 
1 1 1 5  30 30 o 20.97452 6.372924 2.663779       4.911696      4.808971       6.599228      0.5192243      7.275800      22.26829 9.177421 19.68076 8.844864 2.587528       12.74585 
1 1 1 5  30 31 o 35.73211 6.564956 17.59086       4.742376      16.24480       6.364731      18.93692       7.032093      34.51566 9.092557 36.94855 9.472063 -2.432892      13.12991 
1 1 1 5  30 32 o 20.82412 6.142314 4.352019       4.499377      8.834394       6.511380      -0.1304968     6.210288      24.42746 9.410375 17.22077 7.896641 7.206690       12.28463 
1 1 1 5  31 0  o 143.2590 4.445312 206.5137       12.70963      206.5137       12.70963      206.5137       12.70963      143.2590 4.445312 143.2590 4.445312 -0.000000      0.000000 
1 1 1 5  31 1  o 53.02502 5.968518 28.81982       6.332142      27.43834       8.742295      30.20130       9.160281      51.75259 8.446239 54.29745 8.435277 -2.544861      11.93704 
1 1 1 5  31 2  o 152.8069 3.069077 235.1351       9.379901      246.9663       13.51017      223.3748       13.01426      156.6479 4.312275 148.9658 4.368204 7.682114       6.138153 
1 1 1 5  31 3  o 54.80528 5.998221 31.37733       6.382442      26.63779       8.869816      36.11687       9.174451      50.13597 9.188337 59.47459 7.712917 -9.338615      11.99644 
1 1 1 5  31 4  o 40.73202 7.293324 17.95925       6.147236      24.54077       8.862731      11.37774       8.515590      47.96315 9.578035 33.50090 11.00143 14.46225       14.58665 
1 1 1 5  31 5  o 143.7890 3.166067 208.3557       9.103605      204.4592       12.77339      212.2522       12.97884      142.4429 4.483688 145.1351 4.471294 -2.692276      6.332134 
1 1 1 5  31 6  o 29.93512 7.981852 5.594644       7.204955      15.58594       11.48400      -4.393818      8.706873      38.75660 12.77581 21.11365 9.571760 17.64295       15.96370 
1 1 1 5  31 7  f 100.7845 3.935073 102.8672       7.934660      107.4721       11.37065      98.26226       11.05893      103.0519 5.516954 98.51701 5.612702 4.534889       7.870147 
1 1 1 5  31 8  o 29.49602 7.579375 -0.2013420     7.545012      -18.28514      10.49217      17.88132       10.83931      18.21925 8.881392 40.77279 12.28448 -22.55354      15.15875 
1 1 1 5  31 9  o 51.64668 7.273900 28.48685       7.367898      23.32932       10.35756      33.63729       10.47800      46.25036 11.28216 57.04298 9.184304 -10.79262      14.54780 
1 1 1 5  31 10 o 36.10303 8.457430 12.62461       7.502505      18.79523       10.27255      6.459663       10.93850      41.50587 11.80927 30.70020 12.11007 10.80567       16.91486 
1 1 1 5  31 11 f 92.34831 6.428494 88.83985       11.85240      87.42295       17.69713      90.25676       15.78431      91.36238 9.685127 93.33425 8.455795 -1.971870      12.85699 
1 1 1 5  31 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  31 13 f 66.52465 7.853749 48.42977       9.911241      37.78173       14.57285      59.07779       13.42516      57.84697 12.92484 75.20233 8.926027 -17.35536      15.70750 
1 1 1 5  31 14 o 52.97952 8.208571 31.10103       8.473083      30.24380       12.62461      31.95826       11.30689      51.94544 12.32192 54.01360 10.84863 -2.068153      16.41714 
1 1 1 5  31 15 o 60.19958 7.011923 39.39700       8.154280      49.50661       12.12161      29.28740       10.91016      68.85979 8.801660 51.53936 10.91783 17.32043       14.02385 
1 1 1 5  31 16 o 71.08106 5.435311 52.48211       7.644195      47.79924       11.54068      57.15789       10.03876      67.61091 8.534629 74.55122 6.732795 -6.940308      10.87062 
1 1 1 5  31 17 o 34.34436 7.758072 12.19954       6.449745      4.976873       8.763549      19.42575       9.464915      27.09729 10.79172 41.59142 11.14852 -14.49413      15.51614 
1 1 1 5  31 18 o 76.92361 4.627432 61.16064       7.074599      66.72199       9.727042      55.59929       10.27963      80.60494 6.033776 73.24229 7.017554 7.362648       9.254865 
1 1 1 5  31 19 o 27.09201 7.661265 5.031425       6.336393      2.935116       8.770633      7.127024       9.146112      25.27355 10.51020 28.91048 11.14970 -3.636934      15.32253 
1 1 1 5  31 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  31 21 o 17.41378 5.990503 -14.82081      6.602063      -19.49659      9.089437      -10.14503      9.578268      15.63953 7.749135 19.18802 9.137582 -3.548491      11.98101 
1 1 1 5  31 22 o 35.46937 8.368457 14.60828       6.974000      14.69329       9.386987      14.52326       10.32214      35.51400 11.55060 35.42474 12.11230 0.8926392E-01  16.73691 
1 1 1 5  31 23 o 33.90743 8.074564 11.14395       7.552096      0.7566265      11.38482      21.53693       9.932493      25.74523 11.35227 42.06963 11.48566 -16.32440      16.14913 
1 1 1 5  31 24 o 33.87311 8.080806 11.88074       7.792970      27.12662       11.97283      -3.367271      9.975000      45.77850 12.66002 21.96772 10.04597 23.81078       16.16161 
1 1 1 5  31 25 o 22.43661 7.479721 -5.521673      8.770633      -4.426406      11.05893      -6.617648      13.61644      21.76307 10.18922 23.11014 10.95283 -1.347071      14.95944 
1 1 1 5  31 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  31 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  31 28 o 36.13213 6.737598 16.99576       5.216331      23.18054       7.367898      10.81806       7.389152      43.41941 8.791587 28.84485 10.21219 14.57456       13.47520 
1 1 1 5  31 29 o 26.56477 7.024798 9.075267       5.240418      13.13470       7.481250      5.005920       7.346645      30.41360 10.31168 22.71594 9.542562 7.697660       14.04960 
1 1 1 5  31 30 o 19.01177 6.166312 0.1497667      5.313388      -1.535923      7.049096      1.835599       7.948828      17.71519 8.236128 20.30836 9.179316 -2.593170      12.33262 
1 1 1 5  31 31 o 18.40504 5.897863 0.2090641      4.913113      -6.129525      6.656613      6.548220       7.226208      14.72673 7.153547 22.08335 9.379014 -7.356618      11.79573 
1 1 1 5  32 0  o 44.55599 12.86335 24.71080       9.932493      24.71080       9.932493      24.71080       9.932493      44.55599 12.86335 44.55599 12.86335 0.000000       0.000000 
1 1 1 5  32 1  o 69.91527 5.473736 50.39217       7.594603      58.78025       10.92433      41.99702       10.54885      75.88777 7.197686 63.94276 8.248664 11.94501       10.94747 
1 1 1 5  32 2  o 35.34428 8.403673 12.62461       7.043427      14.44533       10.27963      10.81097       9.634944      37.24175 12.08675 33.44681 11.67893 3.794937       16.80735 
1 1 1 5  32 3  f 58.00294 6.520270 35.42259       7.367898      40.30382       10.69762      30.54136       10.13086      62.55574 8.550472 53.45013 9.846071 9.105602       13.04054 
1 1 1 5  32 4  f 46.17128 7.955163 23.35765       7.396237      29.29448       10.35756      17.41375       10.56302      52.16473 10.29422 40.17784 12.13126 11.98689       15.91033 
1 1 1 5  32 5  o 19.05839 6.545609 -19.85082      8.019674      -12.35540      10.68345      -27.34624      11.95158      20.32904 9.666430 17.78773 8.828370 2.541311       13.09122 
1 1 1 5  32 6  o 56.95898 7.953433 35.42967       8.742295      34.31741       12.21371      36.54194       12.50417      56.02306 11.29679 57.89490 11.19870 -1.871841      15.90687 
1 1 1 5  32 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  32 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  32 9  o 27.81539 8.494497 0.4585808      8.643111      1.735707       12.27038      -0.8182618     12.18537      28.55705 12.17779 27.07373 11.84598 1.483320       16.98899 
1 1 1 5  32 10 f 19.50701 6.607328 -13.23388      7.325392      -12.63878      10.29380      -13.82898      10.43549      19.61620 9.376151 19.39782 9.312084 0.2183800      13.21466 
1 1 1 5  32 11 o 35.98080 8.476208 13.56685       7.169532      15.29548       10.35048      11.83114       9.911241      37.72001 12.11708 34.24159 11.85583 3.478420       16.95242 
1 1 1 5  32 12 o 76.09570 4.876150 59.50287       7.417490      56.37860       10.45675      62.62714       10.51342      74.04836 7.060756 78.14304 6.727039 -4.094681      9.752299 
1 1 1 5  32 13 o 30.02424 7.634618 6.503587       6.558138      -2.118979      9.245295      15.12545       9.301972      22.87483 10.13968 37.17364 11.41650 -14.29881      15.26924 
1 1 1 5  32 14 o 61.56763 5.538064 39.46785       6.823099      37.64004       9.337394      41.28857       9.953747      60.16590 7.759706 62.96936 7.903643 -2.803463      11.07613 
1 1 1 5  32 15 o 60.11899 6.413558 40.76431       6.922283      59.56663       9.769550      21.96909       9.804973      76.07926 6.420640 44.15872 11.10452 31.92054       12.82712 
1 1 1 5  32 16 o 31.43824 7.751792 8.940661       6.628983      -0.1120062     8.565183      17.99467       10.11669      23.04601 10.00729 39.83046 11.84126 -16.78446      15.50358 
1 1 1 5  32 17 o 30.81590 9.412123 3.238333       10.63386      -0.2139524     13.45350      6.689910       16.46442      27.95047 12.33057 33.68133 14.22355 -5.730860      18.82425 
1 1 1 5  32 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  32 19 o 94.83713 7.836235 0.000000       0.000000      ?              ?             95.28677       14.86332      ?        ?        94.83713 7.836235 ?              ?        
1 1 1 5  32 20 o 53.26542 7.337741 32.30540       7.637110      31.02311       11.78155      33.58770       9.719957      50.97218 11.78352 55.55865 8.747475 -4.586468      14.67548 
1 1 1 5  32 21 f 30.15767 8.038633 9.365732       6.648820      11.28564       10.34340      7.445828       8.352647      32.33281 12.00768 27.98253 10.69084 4.350271       16.07727 
1 1 1 5  32 22 o 42.95537 6.863251 22.70588       7.197870      43.42809       11.24313      1.979414       8.997337      62.03594 9.061789 23.87480 10.31023 38.16114       13.72650 
1 1 1 5  32 23 f 30.23560 7.983902 9.904156       6.528384      7.920490       8.954830      11.88782       9.507423      28.36683 11.01331 32.10436 11.56191 -3.737532      15.96780 
1 1 1 5  32 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  32 25 o 16.42215 5.645374 -15.54343      6.310180      -5.040634      8.012589      -26.04977      9.748297      18.35051 8.606059 14.49378 7.308674 3.856726       11.29075 
1 1 1 5  32 26 o 37.11784 8.065029 19.28406       6.935034      13.29764       10.04585      25.27756       9.564099      31.06095 11.76592 43.17474 11.03367 -12.11379      16.13006 
1 1 1 5  32 27 o 27.33277 7.781030 9.698705       6.545386      9.705790       9.712874      9.691620       8.777717      27.39504 11.18565 27.27050 10.81938 0.1245441      15.56206 
1 1 1 5  32 28 o 29.42096 7.896921 12.95050       6.744461      17.81756       9.238212      8.083434       9.833311      33.43855 11.45870 25.40336 10.86939 8.035191       15.79384 
1 1 1 5  32 29 o 24.33081 6.384744 5.323307       5.187284      14.52326       6.736668      -3.873815      7.892153      31.33509 9.734332 17.32652 8.264539 14.00857       12.76949 
1 1 1 5  33 0  o 90.45928 7.245107 84.58914       12.94341      84.58914       12.94341      84.58914       12.94341      90.45928 7.245107 90.45928 7.245107 -0.000000      0.000000 
1 1 1 5  33 1  o 123.5941 4.243494 155.9302       10.47800      148.8457       14.91291      163.0856       14.72163      120.6974 6.177808 126.4908 5.819248 -5.793388      8.486987 
1 1 1 5  33 2  o 132.1181 3.966377 177.6797       10.47800      181.5053       14.74288      173.8541       14.89166      133.5777 5.518466 130.6585 5.698695 2.919235       7.932754 
1 1 1 5  33 3  o 48.98920 8.393343 26.85032       8.154280      29.37949       11.58319      24.32115       11.47692      51.41888 11.54713 46.55952 12.18428 4.859367       16.78669 
1 1 1 5  33 4  o 92.85451 4.684949 88.48563       8.678535      96.63282       12.34832      80.33842       12.19245      97.22739 6.350224 88.48163 6.889823 8.745766       9.369899 
1 1 1 5  33 5  o 67.67413 6.600941 47.99052       8.954830      49.66247       13.66603      46.31858       11.56902      68.64317 9.954404 66.70509 8.671766 1.938080       13.20188 
1 1 1 5  33 6  o 68.59945 5.747636 48.76982       7.877984      46.48861       11.10852      51.05812       11.17937      66.94198 8.297129 70.25692 7.956063 -3.314941      11.49527 
1 1 1 5  33 7  o 49.35587 7.915636 26.64487       7.899237      19.15654       11.74613      34.14029       10.57718      41.61366 12.83897 57.09809 9.262294 -15.48444      15.83127 
1 1 1 5  33 8  o 29.38750 8.168154 6.266964       7.022174      6.712580       10.09544      5.821349       9.762465      29.87880 11.67447 28.89621 11.42723 0.9825859      16.33631 
1 1 1 5  33 9  o 56.33929 6.694691 33.90651       7.346645      36.26565       10.10252      31.54736       10.66220      58.93927 8.570281 53.73930 10.28717 5.199970       13.38938 
1 1 1 5  33 10 o 55.44879 6.603624 33.07761       7.141194      27.65796       9.642029      38.49018       10.54176      50.29616 9.938953 60.60142 8.697620 -10.30526      13.20725 
1 1 1 5  33 11 o 36.57863 7.967018 14.28239       6.714706      20.01376       9.323226      8.551013       9.670367      42.28104 10.94330 30.87622 11.58178 11.40481       15.93404 
1 1 1 5  33 12 o 52.35257 6.431480 29.38658       6.593561      30.12337       9.301972      28.64271       9.344479      53.47250 8.697902 51.23264 9.476406 2.239868       12.86296 
1 1 1 5  33 13 o 23.45162 7.396570 -2.974789      7.155363      0.4147985      9.918325      -6.364022      10.30797      24.99188 10.80926 21.91135 10.09936 3.080536       14.79314 
1 1 1 5  33 14 o 57.59394 6.757377 36.12396       7.580434      38.39808       10.42133      33.85691       11.00226      60.11263 8.668166 55.07525 10.36877 5.037380       13.51475 
1 1 1 5  33 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  33 16 o 38.08764 8.378718 16.14561       7.566265      23.06011       10.11669      9.224042       11.25021      44.45991 11.33955 31.71537 12.33801 12.74454       16.75744 
1 1 1 5  33 17 o 58.04678 5.877869 36.09562       6.822391      33.23347       9.415324      38.96485       9.868733      55.67343 8.455851 60.42014 8.166759 -4.746708      11.75574 
1 1 1 5  33 18 o 62.21681 5.484854 41.40192       6.824516      41.42318       9.861650      41.38067       9.436578      62.13862 7.935202 62.29501 7.574104 -0.1563911     10.96971 
1 1 1 5  33 19 o 40.88323 6.729357 18.57561       6.672198      35.06836       9.301972      2.077181       9.564099      56.86776 8.178598 24.89870 10.68866 31.96907       13.45871 
1 1 1 5  33 20 o 32.86308 8.444567 12.82298       7.219123      11.80281       9.153197      13.84315       11.17229      31.80095 11.35519 33.92521 12.50210 -2.124254      16.88913 
1 1 1 5  33 21 o 55.30244 7.858182 36.63404       8.501422      42.71964       11.80281      30.55552       12.24913      61.40594 9.610476 49.19893 12.43555 12.20702       15.71636 
1 1 1 5  33 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  33 23 o 43.74097 9.427733 29.43617       10.21588      45.14255       14.66495      13.73688       14.23280      55.61466 13.33661 31.86728 13.32904 23.74738       18.85547 
1 1 1 5  33 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  33 25 o 21.95282 6.881631 -2.391025      6.741627      -12.52543      10.09544      7.743378       8.940661      17.63783 8.619857 26.26780 10.72965 -8.629965      13.76326 
1 1 1 5  33 26 o 46.92735 6.107141 27.72880       5.558513      22.41541       7.757547      33.04219       7.962997      41.04260 9.610010 52.81210 7.538990 -11.76950      12.21428 
1 1 1 5  33 27 o 25.53742 7.151431 9.266549       5.530175      4.717580       6.843644      13.81481       8.685618      21.62998 9.153997 29.44485 10.98982 -7.814877      14.30286 
1 1 1 5  33 28 o 48.13161 5.637999 30.13046       5.253878      25.89391       7.339560      34.37408       7.516674      43.53297 8.737687 52.73024 7.127480 -9.197266      11.27600 
1 1 1 5  34 0  o 28.86079 14.30305 13.04968       9.861650      13.04968       9.861650      13.04968       9.861650      28.86079 14.30305 28.86079 14.30305 -0.000000      0.000000 
1 1 1 5  34 1  o 65.90828 5.727780 45.17089       7.552096      44.04445       10.61261      46.30441       10.74013      65.06670 8.155176 66.74985 8.045059 -1.683144      11.45556 
1 1 1 5  34 2  o 28.58105 8.092199 5.331100       7.013672      5.059763       9.861650      5.601728       9.975000      28.32263 11.38316 28.83947 11.50471 -0.5168381     16.18440 
1 1 1 5  34 3  o 53.33431 6.882352 30.95226       7.119940      23.78981       9.797889      38.11471       10.34340      46.29416 10.77451 60.37447 8.566035 -14.08031      13.76470 
1 1 1 5  34 4  o 59.75644 6.896086 38.70980       7.807138      46.54528       10.42133      30.87433       11.63278      66.94801 7.783149 52.56488 11.38624 14.38313       13.79217 
1 1 1 5  34 5  o 27.49117 7.875418 3.637900       6.949912      8.628942       10.02459      -1.349601      9.627860      31.22857 11.77575 23.75377 10.46043 7.474806       15.75084 
1 1 1 5  34 6  o 21.28032 6.943600 -6.466748      6.916615      -6.678575      9.677451      -6.254921      9.882903      21.05060 9.734164 21.51003 9.904564 -0.4594231     13.88720 
1 1 1 5  34 7  o 39.70952 8.551372 17.74672       7.537927      12.65295       9.960832      22.83340       11.32106      34.70040 11.89787 44.71864 12.28595 -10.01825      17.10274 
1 1 1 5  34 8  o 30.82225 7.663407 6.596395       6.861355      17.44208       9.656199      -4.251419      9.748297      39.39888 11.52799 22.24562 10.10033 17.15326       15.32681 
1 1 1 5  34 9  o 21.59862 7.074028 -7.389152      7.325392      -10.25838      10.20879      -4.512129      10.49926      20.18232 9.528481 23.01493 10.45827 -2.832607      14.14806 
1 1 1 5  34 10 o 72.11160 5.756616 54.94043       8.239295      62.30834       11.63278      47.57254       11.66820      77.22592 7.531653 66.99728 8.707967 10.22865       11.51323 
1 1 1 5  34 11 o 31.69688 8.461226 9.507423       7.346645      8.643111       10.33631      10.37882       10.43549      30.94164 11.87200 32.45212 12.05923 -1.510477      16.92245 
1 1 1 5  34 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  34 13 o 36.78712 7.120783 14.02026       6.590727      27.83507       9.372816      0.2103393      9.266549      49.78505 9.761268 23.78920 10.37014 25.99585       14.24157 
1 1 1 5  34 14 o 63.54129 5.439134 42.88967       6.908822      36.97410       9.273635      48.80524       10.24421      59.06708 7.850087 68.01550 7.530793 -8.948425      10.87827 
1 1 1 5  34 15 o 34.62447 7.679984 13.02843       6.640318      3.236208       8.933578      22.81923       9.826226      25.26726 10.56372 43.98169 11.15063 -18.71443      15.35997 
1 1 1 5  34 16 o 49.27645 6.951209 27.55877       6.706204      32.33374       9.394071      22.79089       9.571183      54.56052 8.608853 43.99239 10.91626 10.56813       13.90242 
1 1 1 5  34 17 o 31.83112 7.832048 10.79680       6.548220      17.47751       9.365732      4.115396       9.153197      37.91714 11.41794 25.74510 10.72355 12.17204       15.66410 
1 1 1 5  34 18 o 32.60377 7.940803 11.56902       6.918032      19.86499       9.783719      3.280132       9.783719      39.79387 11.59114 25.41367 10.85684 14.38020       15.88161 
1 1 1 5  34 19 o 40.69717 8.349275 19.87207       8.267632      32.72338       11.41316      7.014381       11.96575      51.86006 11.31694 29.53429 12.27878 22.32577       16.69855 
1 1 1 5  34 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  34 21 o 32.38408 8.634698 15.08294       7.970083      7.885069       10.81806      22.28081       11.71779      27.01945 11.47554 37.74871 12.90520 -10.72926      17.26940 
1 1 1 5  34 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  34 23 o 25.19394 6.630054 4.163571       5.482708      -7.297054      7.410406      15.62136       8.083434      16.37101 7.856153 34.01688 10.68229 -17.64587      13.26011 
1 1 1 5  34 24 o 25.92617 7.329248 8.402238       5.812847      7.934660       7.219123      8.869816       9.110690      25.34678 9.878698 26.50555 10.82972 -1.158766      14.65850 
1 1 1 5  34 25 o 21.32699 6.962220 0.2920947      6.991002      8.083434       10.89599      -7.495420      8.763549      25.48800 11.17655 17.16598 8.305100 8.322020       13.92444 
1 1 1 5  34 26 o 15.73437 5.457883 -10.59135      5.842602      -3.265963      8.373900      -17.92383      8.147196      18.01006 8.561045 13.45869 6.772183 4.551363       10.91577 
1 1 1 5  35 0  o 22.80779 13.05337 7.594603       9.259464      7.594603       9.259464      7.594603       9.259464      22.80779 13.05337 22.80779 13.05337 0.000000       0.000000 
1 1 1 5  35 1  o 31.23747 8.058949 8.954830       6.752962      13.07802       9.443663      4.833766       9.649114      34.78466 11.58541 27.69027 11.20557 7.094387       16.11790 
1 1 1 5  35 2  o 29.04379 7.988734 6.781301       6.676449      7.870899       9.528677      5.691702       9.358648      30.00156 11.43135 28.08602 11.16261 1.915537       15.97747 
1 1 1 5  35 3  o 49.77386 7.228515 27.61545       7.082392      35.21006       10.10961      20.02085       9.918325      57.64243 8.769240 41.90528 11.49374 15.73716       14.45703 
1 1 1 5  35 4  o 37.94479 9.089814 16.02518       8.260548      18.84482       12.32706      13.20554       10.99517      40.57786 13.23645 35.31173 12.46175 5.266132       18.17963 
1 1 1 5  35 5  o 55.79585 7.693146 35.59970       8.359732      23.03177       11.51943      48.17472       12.12161      44.42009 12.46298 67.17160 9.022868 -22.75151      15.38629 
1 1 1 5  35 6  o 47.01332 9.516453 26.48193       9.486169      26.25522       14.62245      26.70863       12.09327      46.44734 14.32385 47.57929 12.53311 -1.131950      19.03291 
1 1 1 5  35 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  35 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  35 9  o 64.58384 5.910185 44.84500       7.573349      51.46902       10.78972      38.22097       10.62678      69.67822 7.742535 59.48947 8.931645 10.18875       11.82037 
1 1 1 5  35 10 o 52.57008 6.940777 30.76806       7.059014      35.98935       9.606606      25.55386       10.34340      58.12641 8.263547 47.01374 11.15398 11.11267       13.88155 
1 1 1 5  35 11 o 21.86987 6.912585 -4.740251      6.582934      -13.31889      8.976085      3.839100       9.634944      17.22001 8.346524 26.51974 11.02138 -9.299740      13.82517 
1 1 1 5  35 12 o 25.14646 7.405678 2.580890       6.368981      6.351271       8.586436      -1.189491      9.408240      27.35598 10.74883 22.93693 10.19014 4.419048       14.81136 
1 1 1 5  35 13 o 22.98625 6.967692 -2.251460      6.353395      6.839394       8.777717      -11.34231      9.188620      27.88029 10.88750 18.09221 8.698119 9.788086       13.93538 
1 1 1 5  35 14 o 49.67569 7.322425 28.98276       7.052638      24.81706       9.741212      33.14137       10.20170      45.67810 10.81633 53.67327 9.873127 -7.995167      14.64485 
1 1 1 5  35 15 o 35.47412 8.800376 15.69221       7.764632      13.02843       10.26547      18.35599       11.65403      33.14048 12.00617 37.80777 12.87005 -4.667294      17.60075 
1 1 1 5  35 16 o 69.47199 6.592967 54.45161       9.139028      54.82709       11.93033      54.08321       13.85023      70.39881 8.473387 68.54517 10.10300 1.853638       13.18593 
1 1 1 5  35 17 o 33.48977 8.121146 9.025676       8.536844      27.75006       11.81698      -9.691620      12.31998      45.46928 12.57859 21.51026 10.27575 23.95902       16.24229 
1 1 1 5  35 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  35 19 o 28.85715 7.489579 7.870899       6.621190      17.42792       8.926493      -1.693200      9.783719      36.00702 11.20927 21.70730 9.936172 14.29972       14.97916 
1 1 1 5  35 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  35 21 o 24.45633 7.097479 5.787343       5.557804      5.375024       7.679617      6.199661       8.040927      24.02721 9.900902 24.88546 10.17197 -0.8582497     14.19496 
1 1 1 5  35 22 o 18.02196 5.971007 -4.067930      5.483417      -8.125941      7.679617      -0.9507422E-02 7.828392      16.09487 7.784747 19.94905 9.055907 -3.854179      11.94201 
1 1 1 5  35 23 o 21.19994 6.554015 2.836641       5.358021      5.433825       7.537927      0.2399526      7.615856      22.87439 9.640206 19.52548 8.881829 3.348902       13.10803 
1 1 1 5  35 24 o 27.23234 7.152514 11.08019       5.248919      8.820225       7.254546      13.34015       7.587519      25.06534 9.870134 29.39934 10.35443 -4.334003      14.30503 
1 1 1 5  35 25 o 16.46589 5.488190 -2.281215      4.754420      -2.158653      6.549637      -2.403777      6.892527      16.35114 7.693926 16.58063 7.828435 -0.2294865     10.97638 
1 1 1 5  36 0  o 44.61253 13.67558 26.14896       10.64095      26.14896       10.64095      26.14896       10.64095      44.61253 13.67558 44.61253 13.67558 0.000000       0.000000 
1 1 1 5  36 1  o 43.93997 8.472682 22.86882       7.892153      15.67804       10.88890      30.05961       11.42733      37.04219 12.44038 50.83775 11.50575 -13.79556      16.94536 
1 1 1 5  36 2  o 72.32030 6.093910 56.50611       8.671450      67.52962       12.26330      45.48260       12.25622      79.94017 7.670299 64.70044 9.471509 15.23973       12.18782 
1 1 1 5  36 3  o 52.79033 8.095893 32.28415       8.310139      31.20730       11.46275      33.35391       12.03660      51.95468 11.34486 53.62599 11.55284 -1.671310      16.19179 
1 1 1 5  36 4  o 42.85268 9.520551 21.92658       9.238212      21.02685       14.38157      22.82631       11.59735      41.91392 14.29701 43.79143 12.57613 -1.877514      19.04110 
1 1 1 5  36 5  o 41.86351 8.100287 20.46717       7.367898      28.67813       10.50634      12.24913       10.32214      49.96368 10.81932 33.76334 12.05823 16.20034       16.20057 
1 1 1 5  36 6  o 23.13873 7.382654 -3.010920      7.275800      -7.219123      9.422408      1.197284       11.10144      20.08339 9.403233 26.19408 11.38391 -6.110689      14.76531 
1 1 1 5  36 7  o 54.14659 7.091119 33.84983       7.389152      22.57836       10.22296      45.11421       10.66220      43.54827 11.54716 64.74491 8.234007 -21.19664      14.18224 
1 1 1 5  36 8  o 28.54086 7.916613 6.472415       6.834435      1.409111       9.415324      11.53359       9.911241      24.47796 10.55856 32.60377 11.79864 -8.125807      15.83323 
1 1 1 5  36 9  o 21.62871 6.896902 -6.554596      6.874816      3.261003       9.401155      -16.37232      10.03168      25.67619 10.79081 17.58123 8.592289 8.094954       13.79380 
1 1 1 5  36 10 o 46.90072 7.676152 26.09937       7.105771      30.56969       9.925409      21.62195       10.17337      51.55937 9.981454 42.24207 11.66464 9.317303       15.35230 
1 1 1 5  36 11 o 18.68251 6.229774 -12.98592      6.543260      0.1372979      9.117774      -26.10645      9.386987      23.02562 10.15537 14.33941 7.218637 8.686210       12.45955 
1 1 1 5  36 12 o 25.38665 7.776309 -3.015171      8.196787      -19.69496      10.26547      13.65895       12.77339      16.73666 8.278746 34.03664 13.16611 -17.29998      15.55262 
1 1 1 5  36 13 f 37.45473 9.193515 17.69004       8.473083      17.57669       11.08727      17.81048       12.82298      37.41133 12.55319 37.49813 13.43504 -0.8679962E-01 18.38703 
1 1 1 5  36 14 o 32.98616 9.123845 12.41208       8.848563      15.77014       12.29872      9.046929       12.73088      35.26914 13.09448 30.70318 12.70877 4.565958       18.24769 
1 1 1 5  36 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  36 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  36 17 o 23.35487 7.204806 2.269879       6.396611      -0.3226289     8.912323      4.862813       9.181536      21.65796 9.758210 25.05179 10.60256 -3.393833      14.40961 
1 1 1 5  36 18 o 23.09418 7.020550 3.668363       5.891485      1.610311       8.210957      5.725707       8.444746      21.62931 9.575663 24.55905 10.26933 -2.929745      14.04110 
1 1 1 5  36 19 o 21.19001 6.614819 0.9557014      5.601728      4.491584       8.062181      -2.580181      7.778800      23.48288 9.936743 18.89715 8.734098 4.585724       13.22964 
1 1 1 5  36 20 o 20.60910 6.516342 0.9918325      5.560638      -1.096683      7.913406      3.080348       7.814223      19.41841 8.908366 21.79980 9.512720 -2.381395      13.03268 
1 1 1 5  36 21 o 19.66993 6.269893 0.3294301      5.323307      3.601769       7.452912      -2.942909      7.601687      21.48064 9.331354 17.85921 8.376877 3.621428       12.53979 
1 1 1 5  36 22 o 24.84329 6.820830 7.934660       5.168156      12.72379       7.275800      3.146235       7.339560      29.00471 10.14688 20.68187 9.117878 8.322845       13.64166 
1 1 1 5  36 23 o 24.64004 6.823559 9.068183       4.966247      10.96683       6.880484      7.162447       7.162447      26.43068 9.797920 22.84940 9.499716 3.581276       13.64712 
1 1 1 5  37 0  o 37.18489 15.77677 21.71405       11.82406      21.71405       11.82406      21.71405       11.82406      37.18489 15.77677 37.18489 15.77677 -0.000000      0.000000 
1 1 1 5  37 1  o 25.07098 7.720422 -2.331515      7.849646      7.566265       10.93850      -12.23496      11.25730      29.83548 11.98965 20.30648 9.729744 9.529003       15.44084 
1 1 1 5  37 2  o 41.46326 8.862284 21.14729       8.076350      17.03827       11.29272      25.25630       11.55485      37.61411 12.66897 45.31240 12.39587 -7.698284      17.72457 
1 1 1 5  37 3  o 35.57785 9.445078 14.20446       9.443663      5.706579       11.95867      22.69880       14.62245      29.16694 12.20991 41.98877 14.41375 -12.82183      18.89016 
1 1 1 5  37 4  o 23.03505 7.444848 -3.777465      7.700871      -2.478873      10.21588      -5.076765      11.53359      22.93180 10.38350 23.13829 10.67173 -0.2064857     14.88970 
1 1 1 5  37 5  o 26.29620 7.958828 3.172447       7.502505      2.381107       11.42024      3.963788       9.727042      26.51677 11.53553 26.07563 10.96829 0.4411335      15.91766 
1 1 1 5  37 6  o 24.35196 7.543829 -1.448075      7.573349      5.550012       9.507423      -8.444746      11.78864      26.86262 11.03385 21.84129 10.29036 5.021338       15.08766 
1 1 1 5  37 7  o 36.61272 8.914061 16.85407       8.019674      17.64045       10.17337      16.06769       12.39791      37.39888 12.01287 35.82655 13.17319 1.572327       17.82812 
1 1 1 5  37 8  o 21.12547 7.120797 -11.76030      8.388069      -21.13312      10.98809      -2.380398      12.68129      17.24192 8.537510 25.00902 11.39886 -7.767097      14.24159 
1 1 1 5  37 9  o 34.07997 8.960999 11.62569       8.961915      21.08352       12.07910      2.165737       13.23388      40.43437 13.09995 27.72557 12.23067 12.70879       17.92200 
1 1 1 5  37 10 o 30.63606 8.894063 7.523758       9.139028      12.84423       11.88782      2.202577       13.87857      33.29438 12.74428 27.97774 12.40971 5.316639       17.78813 
1 1 1 5  37 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  37 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  37 13 o 37.92632 8.739633 23.69063       7.962997      30.08086       11.24313      17.30039       11.27147      43.65447 12.33348 32.19816 12.38588 11.45631       17.47927 
1 1 1 5  37 14 o 29.91527 7.385492 8.373900       6.667239      -4.519214      9.259464      21.26064       9.592437      19.98649 9.348920 39.84405 11.43589 -19.85756      14.77098 
1 1 1 5  37 15 o 26.83027 12.60692 1.432489       17.46334      1.432489       17.46334      ?              ?             26.83027 12.60692 ?        ?        ?              ?        
1 1 1 5  37 16 o 29.52679 6.646467 8.203872       5.826308      -5.262380      8.218040      21.66446       8.260548      18.22204 8.587112 40.83154 10.14710 -22.60950      13.29293 
1 1 1 5  37 17 o 30.19761 7.205873 12.09327       5.600311      18.80939       8.189702      5.377857       7.637110      36.83896 10.56453 23.55626 9.802511 13.28270       14.41175 
1 1 1 5  37 18 o 40.43164 6.738914 22.25247       5.812847      31.51194       8.380984      12.99301       8.055097      50.81203 8.247047 30.05124 10.66012 20.76080       13.47783 
1 1 1 5  37 19 o 23.32700 6.807706 5.735625       5.389193      10.43549       7.736294      1.034340       7.502505      26.92169 10.28788 19.73230 8.918468 7.189383       13.61541 
1 1 1 5  37 20 o 17.47301 5.754159 -5.027883      5.258129      4.450494       7.530843      -14.50909      7.339560      21.58984 9.379418 13.35618 6.668425 8.233657       11.50832 
1 1 1 5  37 21 o 20.99890 6.453984 4.748752       5.089518      2.908903       7.073891      6.588602       7.318307      19.67045 8.783672 22.32734 9.458476 -2.656891      12.90797 
1 1 1 5  38 0  o 12.76467 9.200473 -12.95050      10.35048      -12.95050      10.35048      -12.95050      10.35048      12.76467 9.200473 12.76467 9.200473 0.000000       0.000000 
1 1 1 5  38 1  o 18.86125 6.484277 -15.14670      7.785885      -14.40991      10.78264      -15.88349      11.22896      18.81574 9.128719 18.90676 9.211399 -0.9101677E-01 12.96855 
1 1 1 5  38 2  o 24.79884 7.777939 -0.9096520E-01 7.800055      3.441658       10.95975      -3.623731      11.08727      26.55076 11.42143 23.04692 10.56107 3.503845       15.55588 
1 1 1 5  38 3  f 35.35490 9.722241 8.664365       11.99409      34.88417       18.05135      -17.56252      15.79139      48.00990 16.01756 22.69990 11.02387 25.31000       19.44448 
1 1 1 5  38 4  o 75.60803 7.234684 68.82609       10.92433      69.63373       14.84206      68.01846       16.03226      76.73512 9.670973 74.48095 10.76266 2.254166       14.46937 
1 1 1 5  38 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  38 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  38 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  38 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  38 9  o 35.04981 8.918457 18.23555       8.218040      21.22522       10.75430      15.24588       12.44041      37.82025 12.36326 32.27937 12.85711 5.540886       17.83691 
1 1 1 5  38 10 o 24.30636 7.294113 1.193033       6.804679      10.92433       9.755382      -8.543928      9.493254      29.92459 11.52042 18.68812 8.949652 11.23647       14.58823 
1 1 1 5  38 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  38 12 f 37.58598 7.804226 19.61703       6.449745      14.74288       9.089437      24.49118       9.153197      32.46139 11.34267 42.71056 10.72230 -10.24917      15.60845 
1 1 1 5  38 13 o 31.30885 7.487493 12.53960       6.121023      5.064722       8.536844      20.01376       8.777717      24.28390 10.24786 38.33380 10.91932 -14.04991      14.97499 
1 1 1 5  38 14 o 21.50859 6.704512 0.9804973      5.883692      6.178408       8.239295      -4.216705      8.402238      24.45747 10.17984 18.55972 8.727696 5.897747       13.40902 
1 1 1 5  38 15 o 19.62751 6.355158 -0.7658364     5.666197      -0.9670368     7.970083      -0.5645652     8.055097      19.48111 8.938420 19.77392 9.036415 -0.2928143     12.71032 
1 1 1 5  38 16 o 18.96491 6.081090 -3.054136      5.474207      -11.52651      7.962997      5.416822       7.509589      15.10770 7.440984 22.82213 9.620312 -7.714426      12.16218 
1 1 1 5  38 17 o 21.03292 6.567955 3.120730       5.463580      0.7644195      7.537927      5.477749       7.906322      19.43476 8.839416 22.63107 9.716834 -3.196304      13.13591 
1 1 1 5  38 18 o 19.84518 6.292547 1.249709       5.376441      -4.079974      7.530843      6.579392       7.679617      16.79738 8.026638 22.89299 9.693175 -6.095613      12.58509 
1 1 1 5  39 0  o 19.37577 13.03165 0.3430324      13.88566      0.3430324      13.88566      0.3430324      13.88566      19.37577 13.03165 19.37577 13.03165 -0.000000      0.000000 
1 1 1 5  39 1  o 24.06657 7.945854 -4.369730      9.578268      0.1499792      13.20554      -8.891070      13.87857      25.41988 11.59848 22.71327 10.86378 2.706602       15.89171 
1 1 1 5  39 2  o 38.91078 9.383620 22.57127       9.401155      9.542846       11.60444      35.60678       14.79247      29.41481 12.15193 48.40676 14.30175 -18.99195      18.76724 
1 1 1 5  39 3  o 31.69357 9.128381 12.17829       9.450747      16.40066       12.26330      7.962997       14.37449      34.07086 12.97229 29.31628 12.84636 4.754580       18.25676 
1 1 1 5  39 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  39 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 5  39 6  o 28.08717 8.876789 1.335432       12.19245      -11.08727      20.75764      13.75813       12.80172      25.20277 12.32700 30.97157 12.77633 -5.768795      17.75358 
1 1 1 5  39 7  f 31.99440 7.754229 13.45350       6.552470      5.635026       9.160281      21.26772       9.372816      24.97117 10.58045 39.01762 11.33871 -14.04645      15.50846 
1 1 1 5  39 8  f 32.16787 7.937889 13.99901       6.447619      10.06710       9.139028      17.92383       9.096521      28.43777 11.10847 35.89798 11.34205 -7.460218      15.87578 
1 1 1 5  39 9  o 20.80858 6.746645 -1.268129      6.402279      -0.5859604     9.408240      -1.950368      8.685618      21.48040 9.797991 20.13676 9.277300 1.343637       13.49329 
1 1 1 5  39 10 o 22.90202 6.971431 -0.9259465     6.688493      -14.65787      9.146112      12.80881       9.762465      15.89529 7.850877 29.90875 11.52246 -14.01346      13.94286 
1 1 1 5  39 11 o 37.76902 7.798520 21.83448       7.523758      4.495835       9.252379      39.17030       11.85948      23.57942 10.31966 51.95863 11.69497 -28.37921      15.59704 
1 1 1 5  39 12 o 27.19006 7.761526 9.939578       6.661572      6.334267       9.429493      13.54560       9.415324      24.51640 10.57071 29.86372 11.36772 -5.347317      15.52305 
1 1 1 5  39 13 o 27.57599 7.562534 10.20879       6.552470      17.96634       9.216957      2.444159       9.316141      33.35928 11.44431 21.79269 9.889154 11.56659       15.12507 
1 1 1 5  39 14 o 29.97113 7.734851 14.32489       6.166365      15.91183       8.104689      12.73088       9.294888      31.82090 10.73273 28.12136 11.14093 3.699539       15.46970 
1 1 1 5  39 15 o 27.78004 7.173384 11.71071       5.538676      6.239335       7.792970      17.17287       7.877984      22.71903 9.697089 32.84106 10.57337 -10.12203      14.34677 
1 1 1 5  39 16 o 28.62786 7.271541 13.84315       5.316222      14.70746       7.594603      12.97884       7.438744      29.43817 10.36016 27.81755 10.20629 1.620621       14.54308 
1 1 1 5  40 0  o 40.93919 12.88419 24.20071       9.238212      24.20071       9.238212      24.20071       9.238212      40.93919 12.88419 40.93919 12.88419 0.000000       0.000000 
1 1 1 5  40 1  o 20.25117 6.534285 -0.9606607     5.975791      -3.867438      8.487252      1.946826       8.416408      18.79094 8.820636 21.71140 9.642816 -2.920458      13.06857 
1 1 1 5  40 2  o 24.94016 7.657372 5.666906       7.141194      7.679617       10.18754      3.653486       10.00334      26.16996 11.12605 23.71036 10.52390 2.459599       15.31474 
1 1 1 5  40 3  o 29.32600 7.812746 10.41424       7.119940      0.8777718E-01  10.07418      20.74347       10.07418      21.89931 10.04850 36.75270 11.96593 -14.85338      15.62549 
1 1 1 5  40 4  f 22.23756 7.401006 -2.341433      8.572267      -2.908903      12.26330      -1.773255      11.97283      22.13399 10.44797 22.34112 10.48520 -0.2071285     14.80201 
1 1 1 5  40 5  o 41.12773 8.454576 25.85849       7.396237      25.81598       10.93850      25.90808       9.946663      40.39994 12.37457 41.85553 11.52343 -1.455593      16.90915 
1 1 1 5  40 6  o 25.64535 7.711248 7.665448       6.930075      7.204955       9.953747      8.133026       9.642029      25.38628 10.90131 25.90442 10.90939 -0.5181389     15.42250 
1 1 1 5  40 7  o 19.83387 6.438570 -0.4910988     5.858896      0.1114395      8.480167      -1.093850      8.083434      20.31546 9.278852 19.35228 8.928811 0.9631882      12.87714 
1 1 1 5  40 8  o 21.83229 6.663405 1.993583       5.778841      9.911241       8.225125      -5.924782      8.118857      26.54316 10.49141 17.12142 8.217922 9.421736       13.32681 
1 1 1 5  40 9  f 14.55136 5.090416 -12.24913      5.480583      -10.90307      7.658363      -13.59519      7.842561      14.81778 7.298206 14.28493 7.098276 0.5328522      10.18083 
1 1 1 5  40 10 f 26.69601 6.798921 8.033843       5.734209      19.12111       8.083434      -3.046342      8.140111      35.34536 10.60031 18.04666 8.516735 17.29871       13.59784 
1 1 1 5  40 11 o 21.23330 6.622162 3.942534       5.482000      4.147277       7.828392      3.737083       7.679617      21.40376 9.428909 21.06283 9.300957 0.3409367      13.24432 
1 1 1 5  40 12 o 19.66669 6.285249 1.803010       5.387067      -1.247584      7.778800      4.853603       7.459997      18.04744 8.466735 21.28593 9.291492 -3.238491      12.57050 
1 1 1 5  41 0  o 14.82510 9.905351 0.9443662      7.757547      0.9443662      7.757547      0.9443662      7.757547      14.82510 9.905351 14.82510 9.905351 0.000000       0.000000 
1 1 1 5  41 1  o 18.27778 6.115112 -9.096521      6.825224      2.578056       7.955913      -20.77181      11.08727      20.70954 9.279627 15.84601 7.966611 4.863529       12.23022 
1 1 1 5  41 2  o 36.02618 7.577337 20.07044       5.860313      20.43175       8.288886      19.71621       8.288886      36.43246 10.68729 35.61989 10.74458 0.8125725      15.15467 
1 1 1 5  41 3  o 18.19817 6.014427 -2.515712      5.557804      2.002085       7.828392      -7.034218      7.892153      20.21558 9.124923 16.18075 7.837674 4.034824       12.02885 
1 1 1 5  41 4  o 17.53049 5.911963 -4.415071      5.876608      -2.503669      7.651280      -6.327183      8.919409      17.69056 8.321754 17.37042 8.399619 0.3201370      11.82393 
1 1 1 5  41 5  o 16.72304 5.660913 -4.609896      5.404778      -5.862438      7.835476      -3.356645      7.445828      16.41422 7.925698 17.03186 8.084989 -0.6176472     11.32183 
1 1 1 5  41 6  o 19.86347 6.395530 1.727914       5.641402      4.044551       7.970083      -0.5887234     7.984251      21.10788 9.378099 18.61906 8.698417 2.488825       12.79106 
1 1 1 5  41 7  o 15.80533 5.453293 -7.318307      5.656280      -6.427074      7.431659      -8.218040      8.529759      15.55531 7.556819 16.05535 7.864357 -0.5000372     10.90659 
1 1 1 6  0  0  o 777.9864 11.29249 6058.680       175.6252      6058.680       175.6252      6058.680       175.6252      777.9864 11.29249 777.9864 11.29249 0.000000       0.000000 
1 1 1 6  0  1  o 247.9557 2.770803 615.0778       13.73688      615.0778       13.73688      615.0778       13.73688      247.9557 2.770803 247.9557 2.770803 0.000000       0.000000 
1 1 1 6  0  2  o 333.8617 3.574353 1115.103       23.86066      1115.103       23.86066      1115.103       23.86066      333.8617 3.574353 333.8617 3.574353 -0.000000      0.000000 
1 1 1 6  0  3  o 1061.793 10.85826 11285.64       230.5302      11285.64       230.5302      11285.64       230.5302      1061.793 10.85826 1061.793 10.85826 0.000000       0.000000 
1 1 1 6  0  4  o 92.72774 1.740644 86.07689       3.225581      86.07689       3.225581      86.07689       3.225581      92.72774 1.740644 92.72774 1.740644 -0.000000      0.000000 
1 1 1 6  0  5  o 188.2959 2.271373 354.7218       8.551013      354.7218       8.551013      354.7218       8.551013      188.2959 2.271373 188.2959 2.271373 -0.000000      0.000000 
1 1 1 6  0  6  o 805.1882 8.272631 6489.418       133.1889      6489.418       133.1889      6489.418       133.1889      805.1882 8.272631 805.1882 8.272631 -0.000000      0.000000 
1 1 1 6  0  7  o 392.8861 4.152005 1544.425       32.61712      1544.425       32.61712      1544.425       32.61712      392.8861 4.152005 392.8861 4.152005 0.000000       0.000000 
1 1 1 6  0  8  o 849.0737 8.713007 7219.124       147.9247      7219.124       147.9247      7219.124       147.9247      849.0737 8.713007 849.0737 8.713007 -0.000000      0.000000 
1 1 1 6  0  9  o 27.79961 3.761461 8.147196       2.031840      8.147196       2.031840      8.147196       2.031840      27.79961 3.761461 27.79961 3.761461 -0.000000      0.000000 
1 1 1 6  0  10 o 182.9899 2.635804 335.0977       9.642029      335.0977       9.642029      335.0977       9.642029      182.9899 2.635804 182.9899 2.635804 -0.000000      0.000000 
1 1 1 6  0  11 o 283.2402 3.129910 802.6758       17.72546      802.6758       17.72546      802.6758       17.72546      283.2402 3.129910 283.2402 3.129910 0.000000       0.000000 
1 1 1 6  0  12 o 627.6173 6.492135 3943.243       81.47195      3943.243       81.47195      3943.243       81.47195      627.6173 6.492135 627.6173 6.492135 -0.000000      0.000000 
1 1 1 6  0  13 o 19.17378 6.664969 4.804011       2.303885      4.804011       2.303885      4.804011       2.303885      19.17378 6.664969 19.17378 6.664969 0.000000       0.000000 
1 1 1 6  0  14 o 248.1162 2.841882 615.9279       14.09819      615.9279       14.09819      615.9279       14.09819      248.1162 2.841882 248.1162 2.841882 0.000000       0.000000 
1 1 1 6  0  15 o 38.71515 3.380476 15.33090       2.579473      15.33090       2.579473      15.33090       2.579473      38.71515 3.380476 38.71515 3.380476 0.000000       0.000000 
1 1 1 6  0  16 o 276.0309 3.103859 762.2941       17.13037      762.2941       17.13037      762.2941       17.13037      276.0309 3.103859 276.0309 3.103859 0.000000       0.000000 
1 1 1 6  0  17 o 180.5143 2.699535 326.1003       9.741212      326.1003       9.741212      326.1003       9.741212      180.5143 2.699535 180.5143 2.699535 -0.000000      0.000000 
1 1 1 6  0  18 o 612.8171 6.371423 3758.337       78.07139      3758.337       78.07139      3758.337       78.07139      612.8171 6.371423 612.8171 6.371423 0.000000       0.000000 
1 1 1 6  0  19 o 230.9634 3.226758 533.8184       14.89874      533.8184       14.89874      533.8184       14.89874      230.9634 3.226758 230.9634 3.226758 0.000000       0.000000 
1 1 1 6  0  20 o 89.80428 2.446797 80.83435       4.387442      80.83435       4.387442      80.83435       4.387442      89.80428 2.446797 89.80428 2.446797 0.000000       0.000000 
1 1 1 6  0  21 o 1003.563 10.30912 10088.35       206.8679      10088.35       206.8679      10088.35       206.8679      1003.563 10.30912 1003.563 10.30912 0.000000       0.000000 
1 1 1 6  0  22 o 846.0728 8.718801 7169.532       147.4997      7169.532       147.4997      7169.532       147.4997      846.0728 8.718801 846.0728 8.718801 0.000000       0.000000 
1 1 1 6  0  23 o 257.5395 3.079185 663.6776       15.85515      663.6776       15.85515      663.6776       15.85515      257.5395 3.079185 257.5395 3.079185 0.000000       0.000000 
1 1 1 6  0  24 o 136.0660 2.362038 185.3310       6.423533      185.3310       6.423533      185.3310       6.423533      136.0660 2.362038 136.0660 2.362038 -0.000000      0.000000 
1 1 1 6  0  25 o 177.8235 3.475030 316.6779       12.34832      316.6779       12.34832      316.6779       12.34832      177.8235 3.475030 177.8235 3.475030 -0.000000      0.000000 
1 1 1 6  0  26 o 40.09886 4.569916 16.71238       3.583349      16.71238       3.583349      16.71238       3.583349      40.09886 4.569916 40.09886 4.569916 -0.000000      0.000000 
1 1 1 6  0  27 o 214.6939 2.756370 461.3438       11.83114      461.3438       11.83114      461.3438       11.83114      214.6939 2.756370 214.6939 2.756370 -0.000000      0.000000 
1 1 1 6  0  28 o 109.8783 2.695798 121.0036       5.916281      121.0036       5.916281      121.0036       5.916281      109.8783 2.695798 109.8783 2.695798 0.000000       0.000000 
1 1 1 6  0  29 o 369.0094 4.057796 1363.770       29.93917      1363.770       29.93917      1363.770       29.93917      369.0094 4.057796 369.0094 4.057796 0.000000       0.000000 
1 1 1 6  0  30 o 216.8765 3.194668 471.1205       13.85023      471.1205       13.85023      471.1205       13.85023      216.8765 3.194668 216.8765 3.194668 -0.000000      0.000000 
1 1 1 6  0  31 o 19.32634 8.275093 5.348811       3.246834      5.348811       3.246834      5.348811       3.246834      19.32634 8.275093 19.32634 8.275093 0.000000       0.000000 
1 1 1 6  0  32 o 13.84305 7.859884 2.583015       3.326890      2.583015       3.326890      2.583015       3.326890      13.84305 7.859884 13.84305 7.859884 0.000000       0.000000 
1 1 1 6  0  33 o 187.9813 2.643054 353.9425       9.932493      353.9425       9.932493      353.9425       9.932493      187.9813 2.643054 187.9813 2.643054 0.000000       0.000000 
1 1 1 6  0  34 o 189.5864 2.678636 360.1060       10.15211      360.1060       10.15211      360.1060       10.15211      189.5864 2.678636 189.5864 2.678636 0.000000       0.000000 
1 1 1 6  0  35 o 45.58700 4.315915 21.40941       3.869564      21.40941       3.869564      21.40941       3.869564      45.58700 4.315915 45.58700 4.315915 0.000000       0.000000 
1 1 1 6  0  36 o 65.24646 3.674356 43.10221       4.762921      43.10221       4.762921      43.10221       4.762921      65.24646 3.674356 65.24646 3.674356 -0.000000      0.000000 
1 1 1 6  0  37 o 9.828807 6.734868 -2.082140      4.002044      -2.082140      4.002044      -2.082140      4.002044      9.828807 6.734868 9.828807 6.734868 0.000000       0.000000 
1 1 1 6  0  38 o 104.6003 2.707778 109.8809       5.656280      109.8809       5.656280      109.8809       5.656280      104.6003 2.707778 104.6003 2.707778 0.000000       0.000000 
1 1 1 6  0  39 o 46.80753 4.208315 22.57836       3.879482      22.57836       3.879482      22.57836       3.879482      46.80753 4.208315 46.80753 4.208315 0.000000       0.000000 
1 1 1 6  0  40 o 44.02227 5.513080 19.87207       4.913113      19.87207       4.913113      19.87207       4.913113      44.02227 5.513080 44.02227 5.513080 -0.000000      0.000000 
1 1 1 6  0  41 o 46.43364 4.020696 22.23830       3.680407      22.23830       3.680407      22.23830       3.680407      46.43364 4.020696 46.43364 4.020696 0.000000       0.000000 
1 1 1 6  0  42 o 90.45406 2.627495 82.46378       4.744502      82.46378       4.744502      82.46378       4.744502      90.45406 2.627495 90.45406 2.627495 -0.000000      0.000000 
1 1 1 6  0  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  0  44 f 129.3498 2.321738 168.6824       6.002004      168.6824       6.002004      168.6824       6.002004      129.3498 2.321738 129.3498 2.321738 0.000000       0.000000 
1 1 1 6  0  45 o 26.95308 5.545616 8.395153       2.641817      8.395153       2.641817      8.395153       2.641817      26.95308 5.545616 26.95308 5.545616 -0.000000      0.000000 
1 1 1 6  0  46 o 77.43047 2.462580 60.91269       3.805095      60.91269       3.805095      60.91269       3.805095      77.43047 2.462580 77.43047 2.462580 0.000000       0.000000 
1 1 1 6  1  0  o 489.4438 5.097034 2396.692       49.88209      2396.692       49.88209      2396.692       49.88209      489.4438 5.097034 489.4438 5.097034 -0.000000      0.000000 
1 1 1 6  1  1  o 483.7424 3.562630 2341.433       34.50869      2243.667       46.76490      2439.908       50.74640      473.6064 4.937106 493.8784 5.137540 -20.27194      7.125261 
1 1 1 6  1  2  o 314.3461 2.397191 988.2903       15.06877      997.5001       21.50151      979.0804       21.12603      315.8106 3.404178 312.8815 3.376044 2.929108       4.794382 
1 1 1 6  1  3  o 96.87305 1.233531 93.86986       2.390316      90.96520       3.338225      96.77451       3.421114      95.37389 1.750073 98.37222 1.738862 -2.998329      2.467062 
1 1 1 6  1  4  o 366.5074 2.753094 1343.225       20.18379      1330.473       28.28848      1356.685       28.79148      364.7200 3.878109 368.2947 3.908756 -3.574707      5.506188 
1 1 1 6  1  5  o 376.2775 2.822425 1416.195       21.23938      1420.446       30.13046      1411.944       29.94626      376.8420 3.997757 375.7129 3.985258 1.129089       5.644851 
1 1 1 6  1  6  o 407.2096 3.133847 1659.194       25.49718      1672.655       31.51194      1645.025       40.09129      408.9237 3.853034 405.4955 4.943493 3.428192       6.267694 
1 1 1 6  1  7  o 466.8206 3.576776 2180.615       33.52394      2121.105       39.68038      2240.833       54.04070      460.4519 4.308852 473.1893 5.710263 -12.73734      7.153553 
1 1 1 6  1  8  o 492.2161 3.752028 2424.322       36.94576      2420.072       45.12130      2429.281       58.51104      491.7976 4.587385 492.6347 5.938582 -0.8370667     7.504056 
1 1 1 6  1  9  o 532.0121 4.039298 2833.099       42.97469      2835.224       52.65922      2830.973       67.92635      532.2758 4.946611 531.7484 6.387077 0.5273438      8.078596 
1 1 1 6  1  10 o 262.5677 2.439169 689.7487       12.74505      707.2474       14.11944      672.3207       21.21813      265.9119 2.654910 259.2235 4.092632 6.688385       4.878338 
1 1 1 6  1  11 o 40.61641 2.204385 16.54943       1.772546      18.24263       2.347809      14.84915       2.655986      42.70595 2.748808 38.52686 3.446927 4.179085       4.408770 
1 1 1 6  1  12 o 123.3121 1.842586 152.3880       4.501503      138.2898       6.779175      166.5570       5.924782      117.5793 2.882809 129.0449 2.295628 -11.46557      3.685172 
1 1 1 6  1  13 o 244.6626 2.152867 598.7834       10.53468      596.3747       15.91183      601.1921       13.80064      244.1651 3.258416 245.1602 2.814617 -0.9950714     4.305734 
1 1 1 6  1  14 o 260.1647 2.161909 677.3507       11.31397      704.9804       18.41266      649.6503       13.16303      265.4706 3.467929 254.8589 2.582416 10.61165       4.323819 
1 1 1 6  1  15 o 516.9167 3.936749 2674.406       40.63680      2638.274       63.66856      2709.828       50.50553      513.4143 6.200506 520.4191 4.852390 -7.004822      7.873497 
1 1 1 6  1  16 o 413.2661 3.593188 1708.786       29.69830      1703.118       41.82699      1714.453       42.17413      412.5812 5.068940 413.9509 5.094099 -1.369659      7.186376 
1 1 1 6  1  17 o 91.59219 1.897010 83.95154       3.491959      85.79351       5.924782      82.03871       3.695993      92.61359 3.198657 90.57078 2.040389 2.042816       3.794021 
1 1 1 6  1  18 o 604.6906 4.589151 3659.862       55.48595      3653.486       87.70633      3666.238       67.99012      604.0943 7.259325 605.2869 5.616355 -1.192566      9.178303 
1 1 1 6  1  19 f 72.38654 1.917359 52.41126       2.781382      53.32516       4.376107      51.49736       3.433866      73.01630 2.996665 71.75678 2.392712 1.259514       3.834719 
1 1 1 6  1  20 o 309.3401 2.879988 957.8268       17.73963      936.5732       29.64162      978.3719       19.48951      305.9337 4.844452 312.7466 3.115863 -6.812897      5.759975 
1 1 1 6  1  21 o 719.2748 5.440491 5181.617       78.14223      5122.106       122.6330      5241.126       96.91621      715.0116 8.575596 723.5381 6.697381 -8.526489      10.88098 
1 1 1 6  1  22 o 300.9346 2.878936 906.1099       17.32165      906.1099       29.32990      906.1099       18.45517      300.8991 4.873710 300.9701 3.065948 -0.7092285E-01 5.757872 
1 1 1 6  1  23 o 138.5344 2.017313 192.4863       5.567014      172.7914       7.863815      212.1813       7.885069      131.4262 2.991724 145.6427 2.706991 -14.21652      4.034626 
1 1 1 6  1  24 o 186.7610 1.956329 348.9833       7.332476      360.6020       11.56193      337.4356       9.025676      189.8539 3.044955 183.6682 2.457060 6.185715       3.912659 
1 1 1 6  1  25 o 395.9615 3.142475 1569.929       24.85957      1558.594       39.26948      1580.556       30.50593      394.5219 4.976844 397.4012 3.838178 -2.879364      6.284950 
1 1 1 6  1  26 o 269.6896 2.334722 728.2885       12.66712      757.3350       20.67262      699.3127       14.65078      275.0243 3.758327 264.3549 2.771045 10.66943       4.669445 
1 1 1 6  1  27 o 412.6146 3.271456 1706.660       27.01326      1715.162       43.05970      1697.451       32.63129      413.5636 5.205935 411.6656 3.963324 1.897919       6.542912 
1 1 1 6  1  28 o 22.18161 4.662865 4.376107       2.497293      1.853310       4.109729      6.898195       2.838058      18.65508 7.402575 25.70814 5.671960 -7.053064      9.325730 
1 1 1 6  1  29 o 188.3181 2.200839 355.4302       8.409323      375.9045       14.68620      334.9560       8.182618      193.6835 3.791290 182.9526 2.236267 10.73091       4.401678 
1 1 1 6  1  30 f 121.1706 1.884113 147.0746       4.587225      152.4588       7.304138      141.6904       5.547885      123.3699 2.960260 118.9713 2.331606 4.398537       3.768226 
1 1 1 6  1  31 o 106.3728 2.398334 114.5566       5.370065      137.1563       9.705790      92.02789       4.604937      116.8790 4.152068 95.86671 2.401739 21.01229       4.796668 
1 1 1 6  1  32 o 311.5975 2.739615 974.8296       17.06660      971.2875       25.99310      978.3719       22.12495      310.9292 4.179906 312.2657 3.542648 -1.336517      5.479230 
1 1 1 6  1  33 o 19.84092 4.702653 3.584766       2.281215      5.277257       3.258878      1.892275       3.193701      22.66426 6.717154 17.01758 6.583283 5.646681       9.405306 
1 1 1 6  1  34 o 116.2843 1.781204 135.5268       4.142318      135.2434       5.967289      135.8102       5.746961      116.1575 2.568619 116.4111 2.468390 -0.2536011     3.562408 
1 1 1 6  1  35 o 105.4432 1.893732 111.5103       3.990709      109.0307       5.762547      113.9899       5.523090      104.2611 2.763517 106.6253 2.589953 -2.364197      3.787464 
1 1 1 6  1  36 o 224.6151 2.118991 506.5430       9.521592      509.8019       13.75105      503.3550       13.17012      225.3129 3.051545 223.9172 2.940845 1.395660       4.237983 
1 1 1 6  1  37 o 105.0997 1.984072 111.1561       4.177740      120.1534       6.207455      102.0879       5.593227      109.3733 2.837737 100.8261 2.773700 8.547195       3.968143 
1 1 1 6  1  38 o 148.3723 1.837845 221.1786       5.463580      232.3722       8.140111      210.0560       7.289969      152.0979 2.675944 144.6466 2.519924 7.451355       3.675689 
1 1 1 6  1  39 o 47.25167 2.895122 22.64920       2.725414      20.73638       3.903569      24.56202       3.804386      45.21995 4.316203 49.28339 3.859704 -4.063438      5.790244 
1 1 1 6  1  40 o 92.71747 2.311714 87.06872       4.215996      78.85069       6.712580      95.28677       5.103686      88.15661 3.807191 97.27834 2.623239 -9.121727      4.623428 
1 1 1 6  1  41 o 95.41376 1.813456 91.74451       3.454411      89.40662       5.163905      94.08241       4.589351      94.14614 2.742494 96.68139 2.373441 -2.535248      3.626912 
1 1 1 6  1  42 o 38.45230 3.142463 15.26005       2.389608      14.05568       3.693868      16.45733       3.032882      36.77880 5.021735 40.12580 3.779217 -3.346996      6.284927 
1 1 1 6  1  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  1  44 o 91.86943 1.666746 85.65182       3.055552      84.51830       4.855020      86.78535       3.710162      91.07446 2.665412 92.66439 2.001935 -1.589928      3.333492 
1 1 1 6  1  45 o 27.04751 4.741970 8.813140       2.609228      6.619065       2.991084      11.00934       4.275506      23.83652 6.211967 30.25850 7.166349 -6.421974      9.483939 
1 1 1 6  1  46 o 56.54977 3.543758 35.79099       4.117522      29.54244       4.230165      42.03953       7.064682      52.54971 4.024918 60.54984 5.833774 -8.000134      7.087516 
1 1 1 6  2  0  o 391.7327 4.142524 1535.215       32.44709      1535.215       32.44709      1535.215       32.44709      391.7327 4.142524 391.7327 4.142524 -0.000000      0.000000 
1 1 1 6  2  1  o 848.2288 6.150932 7197.870       104.3549      7176.616       147.0746      7226.208       148.0664      846.7698 8.684450 849.6879 8.712990 -2.918091      12.30186 
1 1 1 6  2  2  o 607.0567 4.433337 3686.783       53.84941      3632.941       75.02505      3741.334       77.22124      602.5970 6.225142 611.5164 6.313914 -8.919434      8.866673 
1 1 1 6  2  3  o 371.8814 2.888035 1382.898       21.48026      1383.606       26.30482      1382.898       33.96318      371.9389 3.536174 371.8239 4.567106 0.1150513      5.776070 
1 1 1 6  2  4  o 680.0632 5.119620 4628.315       69.69749      4596.436       84.65999      4660.196       110.7310      677.7849 6.245343 682.3416 8.114045 -4.556641      10.23924 
1 1 1 6  2  5  o 664.6083 4.997826 4420.739       66.37485      4460.413       82.18040      4381.066       104.2133      667.6563 6.154396 661.5604 7.876323 6.095886       9.995652 
1 1 1 6  2  6  o 105.3291 1.493171 111.0144       3.146943      107.5430       4.353436      114.4150       4.544010      103.6983 2.099088 106.9600 2.124163 -3.261742      2.986342 
1 1 1 6  2  7  o 293.7715 2.274358 862.8942       13.36140      867.8535       18.97942      858.6436       18.81648      294.5549 3.221713 292.9880 3.211134 1.566864       4.548716 
1 1 1 6  2  8  o 313.2463 2.407231 981.9142       15.08294      985.4564       21.38107      977.6635       21.27481      313.8680 3.406062 312.6246 3.402613 1.243378       4.814461 
1 1 1 6  2  9  o 379.7829 2.856662 1443.116       21.69988      1423.988       30.30048      1462.245       31.07270      377.2669 4.015789 382.2989 4.063927 -5.031982      5.713323 
1 1 1 6  2  10 o 293.4567 2.281467 861.4774       13.38974      870.6873       19.12111      852.2675       18.75272      295.0250 3.240593 291.8884 3.212309 3.136536       4.562935 
1 1 1 6  2  11 o 319.9371 2.458219 1023.713       15.72763      1010.252       21.95492      1037.882       22.53585      317.7798 3.454423 322.0943 3.498331 -4.314514      4.916438 
1 1 1 6  2  12 o 120.4101 1.381428 145.0201       3.326890      142.1154       4.679324      147.9247       4.729624      119.2040 1.962737 121.6162 1.944488 -2.412132      2.762856 
1 1 1 6  2  13 o 224.8744 1.868480 505.7637       8.402238      506.3305       11.87365      505.2678       11.89491      224.9926 2.638676 224.7562 2.646179 0.2363892      3.736961 
1 1 1 6  2  14 o 136.9445 1.515803 187.5980       4.168531      192.8406       6.765715      182.3555       4.872732      138.8559 2.436235 135.0331 1.804272 3.822800       3.031607 
1 1 1 6  2  15 o 69.31543 1.905314 48.25973       2.720455      54.60038       4.757962      41.92618       2.638983      73.88345 3.219910 64.74740 2.037906 9.136055       3.810628 
1 1 1 6  2  16 o 630.5142 5.343091 3980.082       67.38793      3987.875       95.49931      3972.289       95.07423      631.1306 7.565732 629.8979 7.546797 1.232666       10.68618 
1 1 1 6  2  17 o 240.0415 2.385387 576.3964       11.49817      585.8188       19.73747      566.9739       11.78864      241.9885 4.078184 238.0946 2.475621 3.893890       4.770773 
1 1 1 6  2  18 o 218.3370 1.955106 476.7881       8.536844      477.1423       13.65187      476.4338       10.25838      218.4131 3.125239 218.2608 2.350029 0.1523132      3.910212 
1 1 1 6  2  19 o 776.8610 6.124433 6045.928       95.14508      6055.846       144.1699      6036.718       124.2624      777.3706 9.272922 776.3513 8.002978 1.019348       12.24887 
1 1 1 6  2  20 o 413.6600 5.226619 1713.745       43.54145      1761.211       76.44194      1666.987       41.72781      419.1814 9.118005 408.1385 5.111966 11.04282       10.45324 
1 1 1 6  2  21 o 530.8394 4.091615 2820.347       43.43518      2818.221       68.83318      2822.472       52.99219      530.5804 6.486593 531.0984 4.988925 -0.5180054     8.183230 
1 1 1 6  2  22 o 703.3324 5.345247 4956.329       75.23758      4977.582       119.5158      4935.075       91.39028      704.6655 8.480323 701.9993 6.509285 2.666138       10.69049 
1 1 1 6  2  23 o 278.5127 2.540622 776.4632       14.15487      777.1716       21.89824      775.0463       17.93800      278.6888 3.928799 278.3366 3.222357 0.3521729      5.081244 
1 1 1 6  2  24 o 240.1900 2.154531 577.2465       10.37882      587.5190       16.83282      566.9031       12.14286      242.3191 3.473275 238.0608 2.550370 4.258286       4.309063 
1 1 1 6  2  25 o 297.7046 2.497391 886.9816       14.91291      903.2760       24.08736      870.6873       17.57669      300.4091 4.009093 295.0001 2.979099 5.408966       4.994783 
1 1 1 6  2  26 o 61.44615 2.310430 37.88091       2.885524      41.51527       4.828807      34.24656       3.159695      64.39115 3.749589 58.50114 2.700541 5.890007       4.620859 
1 1 1 6  2  27 o 250.7149 2.233218 629.3177       11.15812      614.8653       17.69713      643.7701       13.60936      247.7992 3.570860 253.6306 2.682909 -5.831390      4.466435 
1 1 1 6  2  28 o 193.4866 2.335146 374.9127       9.046929      376.7546       15.80556      372.9999       8.806056      193.9030 4.075635 193.0701 2.280533 0.8329163      4.670292 
1 1 1 6  2  29 o 204.6167 2.093000 419.4743       8.621859      441.7197       13.85732      397.2997       10.26547      210.0055 3.299275 199.2279 2.576313 10.77762       4.186001 
1 1 1 6  2  30 f 172.6621 1.871132 298.5416       6.472415      301.7296       10.52759      295.3535       7.530843      173.5468 3.033071 171.7774 2.192035 1.769363       3.742264 
1 1 1 6  2  31 o 114.5475 1.874503 131.5595       4.330766      139.8484       7.028550      123.2706       5.063305      118.1353 2.974789 110.9598 2.281595 7.175529       3.749006 
1 1 1 6  2  32 o 273.1129 2.486421 748.1251       13.60227      761.5857       21.19688      735.3730       17.05952      275.4137 3.848189 270.8121 3.149697 4.601624       4.972841 
1 1 1 6  2  33 o 65.50272 2.343622 43.04553       3.073264      43.43518       4.904612      42.65588       3.705911      65.77122 3.728540 65.23421 2.840466 0.5370026      4.687243 
1 1 1 6  2  34 o 31.46339 4.316149 10.69054       2.661653      4.004169       4.133108      17.37124       3.355228      21.36753 7.630321 41.55924 4.036681 -20.19171      8.632298 
1 1 1 6  2  35 o 88.72730 2.172435 78.99238       3.866021      80.62181       6.252087      77.43378       4.548969      89.57436 3.489887 87.88024 2.588164 1.694122       4.344871 
1 1 1 6  2  36 o 48.43616 3.946707 24.87374       3.353811      15.93308       5.274423      33.80732       4.144443      38.90050 7.037663 57.97182 3.574532 -19.07133      7.893414 
1 1 1 6  2  37 o 172.5945 2.425294 299.8876       8.366816      307.7514       11.77447      291.9530       11.89491      174.8885 3.366279 170.3004 3.492330 4.588028       4.850588 
1 1 1 6  2  38 o 94.75626 2.185468 90.39845       4.167822      95.28677       6.659447      85.51013       5.013713      97.25565 3.423681 92.25685 2.717258 4.998802       4.370936 
1 1 1 6  2  39 o 94.88554 2.281081 91.17775       4.252836      103.8590       5.562763      78.49645       6.434867      101.6207 2.737024 88.15044 3.649935 13.47021       4.562163 
1 1 1 6  2  40 o 48.80209 2.701716 24.16529       2.634732      24.09444       4.196868      24.22905       3.185908      48.63810 4.314384 48.96608 3.253179 -0.3279800     5.403432 
1 1 1 6  2  41 o 101.8823 1.922868 104.9926       4.004878      116.6112       6.883317      93.44479       4.095560      107.3494 3.206035 96.41524 2.123917 10.93416       3.845736 
1 1 1 6  2  42 o 94.97631 2.918859 92.52380       5.540801      91.53197       5.333934      93.58647       9.712874      95.10052 2.804366 94.85210 5.120009 0.2484131      5.837719 
1 1 1 6  2  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  2  44 o 61.42284 3.128814 39.73706       3.710162      44.56870       4.110437      34.91250       6.176991      65.92220 3.117643 56.92347 5.425699 8.998737       6.257628 
1 1 1 6  2  45 o 96.66513 2.526262 97.48296       4.907445      90.75267       6.225166      104.2133       7.587519      93.58268 3.326025 99.74758 3.803360 -6.164902      5.052523 
1 1 1 6  2  46 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  3  0  o 919.3265 9.415344 8458.914       173.0748      8458.914       173.0748      8458.914       173.0748      919.3265 9.415344 919.3265 9.415344 -0.000000      0.000000 
1 1 1 6  3  1  o 225.6512 2.403476 509.5894       10.91724      536.9356       17.49876      482.3140       13.06385      231.6980 3.776199 219.6043 2.974407 12.09372       4.806951 
1 1 1 6  3  2  o 965.9273 7.562758 9344.479       146.2953      9209.873       188.3065      9479.085       223.8708      959.0825 9.817013 972.7722 11.50685 -13.68970      15.12552 
1 1 1 6  3  3  o 294.9617 2.290817 870.6873       13.53143      827.4717       18.22846      913.9028       20.00668      287.6381 3.168646 302.2853 3.309237 -14.64725      4.581634 
1 1 1 6  3  4  o 254.7344 2.200187 649.0835       11.22896      664.3152       17.27205      633.8518       14.36032      257.7206 3.350926 251.7482 2.852119 5.972397       4.400374 
1 1 1 6  3  5  o 615.6572 4.501582 3793.051       55.44344      3851.144       79.55913      3735.666       77.22124      620.3395 6.412548 610.9750 6.319510 9.364563       9.003164 
1 1 1 6  3  6  o 340.3204 2.593141 1158.319       17.65462      1133.523       24.43450      1183.823       25.49010      336.6276 3.629308 344.0132 3.704813 -7.385651      5.186282 
1 1 1 6  3  7  o 96.67802 1.449755 93.44479       2.800510      94.57832       3.649944      92.38211       4.248586      97.24677 1.876640 96.10928 2.210289 1.137482       2.899509 
1 1 1 6  3  8  o 205.6767 1.741443 423.0874       7.162447      428.8259       10.23004      417.4198       10.03168      207.0627 2.470276 204.2906 2.455246 2.772110       3.482887 
1 1 1 6  3  9  o 294.0532 2.294669 865.0197       13.50309      880.6056       19.39741      849.4337       18.77397      296.7018 3.268839 291.4045 3.221291 5.297302       4.589338 
1 1 1 6  3  10 o 286.2458 2.415978 819.6788       13.83606      821.8041       20.85682      817.5534       18.17887      286.6097 3.638541 285.8820 3.179436 0.7276917      4.831956 
1 1 1 6  3  11 f 129.5130 1.422837 167.7614       3.686074      168.8241       5.221290      166.6987       5.202870      129.9232 2.009376 129.1027 2.015012 0.8204346      2.845675 
1 1 1 6  3  12 o 118.2784 1.397021 139.9192       3.304928      138.7857       4.631149      141.0527       4.716164      117.7994 1.965694 118.7574 1.985629 -0.9580536     2.794043 
1 1 1 6  3  13 o 276.8704 2.385887 767.2533       13.23388      780.0054       20.30423      753.7927       16.96742      279.2285 3.635772 274.5122 3.090467 4.716339       4.771774 
1 1 1 6  3  14 o 391.9862 2.959061 1537.340       23.20180      1563.553       33.32557      1511.128       32.29123      395.3270 4.214938 388.6454 4.154331 6.681549       5.918121 
1 1 1 6  3  15 o 700.4360 5.113663 4911.696       71.62447      4930.116       101.6628      4893.276       100.9544      701.7481 7.243542 699.1239 7.220063 2.624207       10.22733 
1 1 1 6  3  16 o 330.7188 3.066355 1094.558       20.33257      1105.893       34.76373      1082.514       21.09061      332.4565 5.228312 328.9812 3.205443 3.475311       6.132709 
1 1 1 6  3  17 o 248.8759 2.128551 619.5411       10.58427      614.2277       16.79031      624.8545       12.88674      247.8013 3.387857 249.9505 2.577858 -2.149216      4.257103 
1 1 1 6  3  18 o 566.5126 4.515638 3212.121       51.19273      3231.249       78.00054      3192.992       66.30400      568.1621 6.864286 564.8632 5.869032 3.298950       9.031277 
1 1 1 6  3  19 o 479.9940 3.714451 2305.302       35.70597      2327.972       57.04453      2283.340       42.95343      482.2708 5.914160 477.7172 4.495697 4.553589       7.428901 
1 1 1 6  3  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  3  21 o 361.5022 2.943863 1307.094       21.30314      1315.595       34.15446      1299.301       25.46884      362.6055 4.709589 360.3989 3.533424 2.206573       5.887726 
1 1 1 6  3  22 o 536.5341 4.134964 2882.690       44.22865      2801.927       68.78358      2963.454       55.61347      528.9407 6.502012 544.1273 5.110336 -15.18658      8.269927 
1 1 1 6  3  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  3  24 o 470.9599 3.673125 2220.996       34.67163      2254.293       55.65597      2187.699       41.35233      474.4078 5.865837 467.5121 4.422595 6.895691       7.346250 
1 1 1 6  3  25 o 252.1178 2.743402 637.5358       14.13361      695.4871       24.72497      579.5844       13.70146      263.5481 4.690789 240.6875 2.846317 22.86060       5.486805 
1 1 1 6  3  26 o 407.2885 3.372773 1662.028       27.48084      1668.404       42.10329      1656.360       35.33049      407.9523 5.160321 406.6246 4.344362 1.327667       6.745546 
1 1 1 6  3  27 o 309.8344 2.867705 961.3691       17.78214      977.6635       26.11353      945.7831       24.13695      312.3854 4.179698 307.2834 3.927474 5.101990       5.735410 
1 1 1 6  3  28 o 365.0898 3.083741 1336.140       22.54293      1352.434       34.85583      1319.846       28.59312      367.2360 4.745698 362.9436 3.939057 4.292389       6.167481 
1 1 1 6  3  29 o 147.2613 1.855301 217.0696       5.481292      221.6037       8.827310      212.6064       6.496503      148.7661 2.966841 145.7564 2.228548 3.009750       3.710602 
1 1 1 6  3  30 o 293.8300 2.602417 865.7281       15.28839      862.1858       23.45684      869.2704       19.60995      293.1559 4.000744 294.5040 3.329317 -1.348083      5.204834 
1 1 1 6  3  31 o 100.0091 1.952138 100.2459       3.883733      94.43663       5.866689      106.1261       5.090226      97.07455 3.021744 102.9437 2.472335 -5.869156      3.904277 
1 1 1 6  3  32 o 91.79868 1.933854 84.44745       3.545801      83.80984       5.712955      85.08506       4.202536      91.42284 3.124469 92.17451 2.279663 -0.7516785     3.867708 
1 1 1 6  3  33 o 72.56710 2.249126 52.81508       3.252502      52.06412       5.544343      53.57312       3.401986      71.99869 3.850309 73.13551 2.325810 -1.136826      4.498252 
1 1 1 6  3  34 f 160.9648 2.101449 259.9310       6.802555      266.0237       11.81698      253.8383       6.740210      162.7303 3.630847 159.1992 2.116910 3.531052       4.202899 
1 1 1 6  3  35 o 52.55035 2.850450 27.84924       2.925197      25.32006       4.978999      30.37133       3.070430      50.07508 4.971534 55.02562 2.790000 -4.950539      5.700899 
1 1 1 6  3  36 o 201.3378 2.412533 408.0682       9.861650      433.5016       17.32873      382.7057       9.422408      207.3244 4.179135 195.3513 2.411658 11.97308       4.825067 
1 1 1 6  3  37 o 115.7042 2.055944 134.4642       4.774965      136.5895       8.317224      132.4096       4.687826      116.4687 3.570582 114.9396 2.039257 1.529167       4.111888 
1 1 1 6  3  38 o 23.28229 5.439207 4.783466       3.263129      0.4961996      4.449077      9.068183       4.774965      17.51548 7.395146 29.04909 7.978202 -11.53361      10.87841 
1 1 1 6  3  39 o 25.88252 5.648146 7.034926       3.246126      8.175533       4.529132      5.892902       4.650986      27.54923 7.842329 24.21582 8.130443 3.333408       11.29629 
1 1 1 6  3  40 o 138.2853 3.007270 0.000000       0.000000      ?              ?             192.9114       8.317224      ?        ?        138.2853 3.007270 ?              ?        
1 1 1 6  3  41 o 133.9645 2.454436 182.4972       6.593561      202.4755       9.925409      162.5897       8.685618      141.2825 3.512612 126.6465 3.429080 14.63599       4.908873 
1 1 1 6  3  42 o 41.20987 3.435702 17.72546       2.708411      14.26822       4.318722      21.17562       3.268796      36.83882 5.861645 45.58091 3.585708 -8.742088      6.871403 
1 1 1 6  3  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  3  44 o 30.01966 6.844312 11.54776       4.682866      10.53468       6.505004      12.56793       6.737377      28.83092 9.615351 31.20840 9.742867 -2.377476      13.68862 
1 1 1 6  3  45 o 105.3218 3.469215 119.7992       7.226208      126.2461       8.976085      113.4231       11.33523      109.3175 4.105513 101.3261 5.593440 7.991356       6.938429 
1 1 1 6  3  46 o 32.98811 6.716291 16.03226       4.726790      17.27205       6.330725      14.78539       7.020757      35.06846 8.985648 30.90775 9.984607 4.160715       13.43258 
1 1 1 6  4  0  o 667.5407 6.894704 4458.996       92.02789      4458.996       92.02789      4458.996       92.02789      667.5407 6.894704 667.5407 6.894704 0.000000       0.000000 
1 1 1 6  4  1  o 422.9689 3.162246 1789.549       26.75114      1777.505       37.59754      1801.593       38.06512      421.5460 4.459483 424.3919 4.484665 -2.845947      6.324493 
1 1 1 6  4  2  o 845.2087 6.135823 7148.279       103.7173      7212.039       147.9956      7091.603       145.3743      848.7627 8.718313 841.6548 8.636220 7.107910       12.27165 
1 1 1 6  4  3  o 507.6336 3.886363 2578.765       39.63079      2656.694       64.00861      2500.835       46.72948      515.2715 6.211155 499.9957 4.672988 15.27579       7.772726 
1 1 1 6  4  4  o 341.0818 2.706086 1163.986       18.54727      1201.534       30.00293      1126.438       21.80614      346.5717 4.328533 335.5919 3.248909 10.97977       5.412171 
1 1 1 6  4  5  o 147.3610 1.538700 217.2113       4.533383      216.5029       7.219123      217.8489       5.484125      147.1306 2.453305 147.5915 1.857873 -0.4608459     3.077401 
1 1 1 6  4  6  o 191.9294 1.749623 368.4658       6.721082      370.5203       10.71888      366.3404       8.111773      192.4697 2.784561 191.3891 2.119184 1.080627       3.499246 
1 1 1 6  4  7  o 163.5627 1.793481 267.7948       5.873774      281.7513       8.650196      253.7674       7.948828      167.8386 2.576939 159.2867 2.495133 8.551926       3.586963 
1 1 1 6  4  8  o 76.05452 1.479436 57.93718       2.249334      53.54479       3.108686      62.32250       3.251793      73.16940 2.124308 78.93964 2.059671 -5.770241      2.958873 
1 1 1 6  4  9  o 176.3808 2.145284 311.9313       7.679617      342.2530       12.72379      281.6096       8.607689      184.9666 3.439484 167.7950 2.564942 17.17160       4.290569 
1 1 1 6  4  10 o 134.8832 1.447732 181.9304       3.905694      179.9467       5.508212      183.9849       5.537968      134.1348 2.053238 135.6316 2.041548 -1.496796      2.895463 
1 1 1 6  4  11 f 151.6752 1.524719 230.1051       4.625482      226.5629       6.483042      233.6474       6.599228      150.5077 2.153724 152.8427 2.158830 -2.334976      3.049439 
1 1 1 6  4  12 o 103.4955 1.426505 107.1179       2.952827      103.8590       4.122481      110.4476       4.228749      101.9042 2.022725 105.0868 2.012026 -3.182671      2.853010 
1 1 1 6  4  13 o 540.6624 3.989475 2925.906       43.13763      2944.326       61.38026      2907.486       60.63639      542.3628 5.658598 538.9620 5.625293 3.400818       7.978951 
1 1 1 6  4  14 o 92.06296 1.451941 84.80168       2.672988      85.51013       3.781007      84.02238       3.780298      92.46696 2.044518 91.65895 2.062155 0.8080063      2.903883 
1 1 1 6  4  15 o 390.1917 3.204219 1523.171       25.02252      1511.128       32.38333      1535.215       38.15013      388.6620 4.166002 391.7214 4.869548 -3.059448      6.408438 
1 1 1 6  4  16 o 308.3937 2.424233 951.4508       14.95542      928.0718       20.70805      974.8296       21.58652      304.6049 3.399165 312.1826 3.457356 -7.577637      4.848467 
1 1 1 6  4  17 o 504.3348 4.029974 2546.176       40.60137      2490.917       60.12630      2600.727       54.57204      498.8725 6.026220 509.7972 5.352329 -10.92468      8.059947 
1 1 1 6  4  18 o 311.7592 3.155012 971.9959       19.68079      977.6635       30.81057      967.0367       24.50535      312.5967 4.928166 310.9217 3.940759 1.675049       6.310024 
1 1 1 6  4  19 o 153.7797 2.063566 236.6938       6.402987      247.3205       10.78972      225.9961       6.896070      157.2387 3.431001 150.3207 2.293785 6.917953       4.127132 
1 1 1 6  4  20 o 382.2384 3.198168 1462.245       24.46993      1474.997       37.65421      1448.784       31.25689      383.9336 4.903740 380.5432 4.106878 3.390350       6.396336 
1 1 1 6  4  21 o 210.2355 2.139356 442.0739       9.011506      445.9704       14.84206      438.2483       10.21588      211.1443 3.514674 209.3267 2.440175 1.817596       4.278713 
1 1 1 6  4  22 o 268.1128 2.624551 719.0786       14.06985      707.3891       20.20504      731.1223       19.58161      265.8977 3.799402 270.3279 3.621825 -4.430206      5.249103 
1 1 1 6  4  23 o 412.7556 3.418512 1705.952       28.27431      1738.541       43.89567      1672.655       35.64221      416.7022 5.267032 408.8090 4.359274 7.893158       6.837024 
1 1 1 6  4  24 o 277.2408 3.197183 769.3787       17.72546      767.9618       25.81598      770.7955       24.29990      276.9770 4.660312 277.5045 4.378288 -0.5275269     6.394366 
1 1 1 6  4  25 o 363.8381 3.445037 1326.930       24.84540      1249.709       39.49619      1404.151       30.15171      353.1534 5.591930 374.5229 4.025350 -21.36942      6.890074 
1 1 1 6  4  26 o 108.3469 1.981008 117.5322       4.240084      111.0852       7.112856      124.0499       4.617689      105.3392 3.376169 111.3546 2.073416 -6.015480      3.962016 
1 1 1 6  4  27 o 54.33698 2.528808 30.36424       2.909611      40.04170       5.131316      20.67971       2.743834      63.22163 4.058197 45.45232 3.018365 17.76931       5.057617 
1 1 1 6  4  28 o 304.6421 2.910822 930.1973       17.64754      908.9437       29.69122      951.4508       19.07152      301.0175 4.931809 308.2668 3.093347 -7.249268      5.821644 
1 1 1 6  4  29 o 145.0062 2.041938 210.5519       5.902820      207.2930       9.897071      213.8107       6.433450      143.8447 3.440194 146.1678 2.200708 -2.323090      4.083877 
1 1 1 6  4  30 o 18.18037 4.606060 2.369063       2.312387      1.166820       3.941117      3.572014       2.420780      17.50154 7.132157 18.85920 5.830566 -1.357660      9.212120 
1 1 1 6  4  31 o 138.9584 1.955831 193.4073       5.436659      194.0449       9.351563      192.8406       5.554970      139.1151 3.361088 138.8016 2.001046 0.3134918      3.911662 
1 1 1 6  4  32 o 45.23428 2.779051 20.56635       2.544759      21.72113       4.369022      19.41866       2.608519      46.45776 4.702145 44.01080 2.963499 2.446957       5.558102 
1 1 1 6  4  33 o 91.22711 1.949915 83.52647       3.501168      78.28393       5.995627      88.69817       3.615937      88.32638 3.394019 94.12785 1.920759 -5.801468      3.899831 
1 1 1 6  4  34 o 141.8164 1.925251 201.6254       5.462872      202.0504       8.699788      201.2003       6.605605      141.9183 3.065070 141.7145 2.330604 0.2038116      3.850502 
1 1 1 6  4  35 o 120.6045 2.220363 146.2953       5.353062      159.0474       7.750463      133.5432       7.382068      125.8799 3.078515 115.3291 3.200437 10.55081       4.440727 
1 1 1 6  4  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  4  37 o 67.34068 2.485833 45.65263       3.353811      46.42484       5.268756      44.88750       4.150819      67.85825 3.882178 66.82310 3.105827 1.035156       4.971666 
1 1 1 6  4  38 o 81.07613 4.130954 67.87676       6.059388      52.96386       11.23604      82.81801       4.534800      71.33405 7.875654 90.81821 2.496636 -19.48415      8.261908 
1 1 1 6  4  39 o 127.4489 2.909235 164.6442       7.360813      162.4480       13.45350      166.8404       5.966581      126.0102 5.338259 128.8876 2.314646 -2.877411      5.818470 
1 1 1 6  4  40 o 93.48672 3.203846 89.61916       6.262714      101.5211       11.88074      77.64632       3.972289      99.07043 5.996107 87.90302 2.259473 11.16740       6.407691 
1 1 1 6  4  41 o 54.78707 5.538601 32.58170       6.234376      39.06403       10.50634      26.10645       6.718248      59.81282 8.782682 49.76132 6.750473 10.05150       11.07720 
1 1 1 6  4  42 o 112.4646 3.505691 130.9927       7.892153      133.4723       12.62461      128.5132       9.486169      113.0094 5.585645 111.9198 4.237931 1.089622       7.011383 
1 1 1 6  4  43 o 42.62983 10.99209 0.000000       0.000000      ?              ?             27.20455       9.429493      ?        ?        42.62983 10.99209 ?              ?        
1 1 1 6  4  44 o 62.34267 4.111824 42.18830       5.120689      42.62046       8.048012      41.75615       6.335684      62.06388 6.483653 62.62146 5.058717 -0.5575790     8.223647 
1 1 1 6  4  45 o 62.40499 4.930857 46.07771       6.070015      34.57953       8.097604      57.56879       9.046929      53.75992 7.531265 71.05007 6.366587 -17.29015      9.861713 
1 1 1 6  4  46 o 25.44005 6.869764 9.762465       5.061180      5.514588       6.895361      14.00609       7.410406      21.55421 9.158258 29.32589 10.24212 -7.771679      13.73953 
1 1 1 6  5  0  o 140.3144 2.096901 197.0204       5.881567      197.0204       5.881567      197.0204       5.881567      140.3144 2.096901 140.3144 2.096901 -0.000000      0.000000 
1 1 1 6  5  1  o 491.2051 3.644306 2413.695       35.80515      2449.118       51.35567      2378.981       49.91043      494.7715 5.189837 487.6386 5.117563 7.132843       7.288612 
1 1 1 6  5  2  o 678.6840 4.960170 4609.896       67.31709      4596.436       94.93254      4624.065       95.49931      677.6680 7.004355 679.6999 7.025108 -2.031921      9.920340 
1 1 1 6  5  3  o 407.2880 3.068078 1659.903       24.99418      1635.815       34.87708      1683.281       35.81224      404.3765 4.312451 410.1996 4.365222 -5.823059      6.136155 
1 1 1 6  5  4  o 472.3751 3.515508 2232.332       33.21222      2213.912       46.60196      2251.460       47.33875      470.3900 4.953545 474.3601 4.989748 -3.970154      7.031016 
1 1 1 6  5  5  o 200.2217 2.039001 401.0546       8.168448      392.4823       11.31397      409.5560       11.78155      198.0907 2.855756 202.3526 2.911144 -4.261932      4.078002 
1 1 1 6  5  6  o 108.6829 1.576463 118.2406       3.445909      125.2543       5.406196      111.2269       4.274089      111.9078 2.415468 105.4581 2.026441 6.449776       3.152927 
1 1 1 6  5  7  o 484.2344 3.720707 2346.392       36.01769      2338.599       56.87451      2354.894       44.20739      483.3445 5.883434 485.1243 4.556296 -1.779816      7.441413 
1 1 1 6  5  8  f 250.8255 2.128002 629.3885       10.71179      643.4868       17.24372      615.2904       12.70254      253.6255 3.399445 248.0255 2.560732 5.599915       4.256005 
1 1 1 6  5  9  o 416.9295 3.743086 1740.666       31.43401      1793.800       54.01945      1686.824       32.14246      423.2520 6.381477 410.6071 3.914017 12.64490       7.486172 
1 1 1 6  5  10 o 733.0403 5.537800 5384.942       81.18858      5398.402       128.7257      5371.481       99.04156      733.7582 8.771669 732.3224 6.762156 1.435791       11.07560 
1 1 1 6  5  11 o 409.6919 3.196915 1679.739       26.15604      1660.611       41.11146      1698.867       32.35499      407.3227 5.046546 412.0610 3.925996 -4.738281      6.393831 
1 1 1 6  5  12 f 583.5895 4.438156 3409.779       51.73824      3377.898       81.33026      3442.367       63.98028      580.7413 7.002280 586.4377 5.454994 -5.696350      8.876311 
1 1 1 6  5  13 o 414.9661 3.241484 1722.955       26.91408      1729.331       42.76215      1716.579       32.69505      415.7034 5.143349 414.2288 3.946496 1.474548       6.482968 
1 1 1 6  5  14 o 350.3903 2.559619 1228.455       17.93800      1228.455       26.75822      1227.747       23.89608      350.4349 3.817860 350.3456 3.410358 0.8926392E-01  5.119238 
1 1 1 6  5  15 o 50.66118 2.268544 25.77348       2.321597      22.52877       2.841600      29.01818       3.672614      47.46017 2.993668 53.86219 3.409269 -6.402020      4.537088 
1 1 1 6  5  16 o 663.3763 4.863190 4405.153       64.51162      4405.861       91.24860      4405.153       91.24860      663.4030 6.877313 663.3496 6.877866 0.5334473E-01  9.726379 
1 1 1 6  5  17 o 523.4342 3.887276 2741.708       40.69347      2729.665       57.33500      2753.752       57.76716      522.2851 5.488861 524.5834 5.506004 -2.298279      7.774553 
1 1 1 6  5  18 o 337.7784 3.378602 1141.316       22.78381      1167.529       29.57078      1115.812       34.65746      341.6197 4.328026 333.9372 5.189219 7.682495       6.757204 
1 1 1 6  5  19 o 475.1490 3.836592 2259.961       36.40734      2320.888       49.30116      2199.034       53.58729      481.5768 5.118723 468.7211 5.716330 12.85565       7.673184 
1 1 1 6  5  20 o 537.5958 4.338692 2893.317       46.66572      2915.279       71.48279      2870.647       60.04837      539.6259 6.623364 535.5657 5.606070 4.060242       8.677383 
1 1 1 6  5  21 o 1248.414 14.49988 15784.31       362.3022      15940.17       650.5004      15621.36       319.2992      1250.012 26.01977 1246.816 12.80458 3.196045       28.99975 
1 1 1 6  5  22 o 559.5602 5.125708 3137.733       57.57588      3202.202       95.64099      3073.264       64.11489      565.1053 8.462227 554.0151 5.786385 11.09027       10.25142 
1 1 1 6  5  23 o 777.3768 6.779493 6069.306       105.6302      6145.111       180.0176      5992.794       110.6602      781.5309 11.51699 773.2227 7.155776 8.308167       13.55899 
1 1 1 6  5  24 o 696.0444 6.058815 4862.104       84.16407      4820.306       141.7612      4904.612       90.75267      692.4885 10.23564 699.6003 6.486038 -7.111816      12.11763 
1 1 1 6  5  25 o 453.5042 4.310815 0.000000       0.000000      ?              ?             2059.469       39.09945      ?        ?        453.5042 4.310815 ?              ?        
1 1 1 6  5  26 o 87.10198 1.999302 75.94603       3.454411      73.53729       5.954537      78.35477       3.504711      85.70286 3.473943 88.50111 1.980038 -2.798248      3.998604 
1 1 1 6  5  27 o 86.77812 2.965641 75.59180       4.983958      69.52746       9.316141      81.61364       3.550052      83.23572 5.596240 90.32053 1.965252 -7.084816      5.931283 
1 1 1 6  5  28 o 253.0174 2.261095 641.0072       11.44150      640.4404       18.52601      641.6448       13.42516      252.8453 3.663509 253.1896 2.651207 -0.3443451     4.522189 
1 1 1 6  5  29 o 260.3375 2.236105 678.9094       11.63986      679.4053       19.44700      678.3426       12.80881      260.3548 3.734712 260.3202 2.460202 0.3454590E-01  4.472210 
1 1 1 6  5  30 o 100.9130 1.670540 101.9462       3.346018      98.82903       5.724998      105.1342       3.465038      99.32288 2.882014 102.5031 1.690212 -3.180191      3.341081 
1 1 1 6  5  31 o 128.3268 2.523672 165.1401       6.466040      164.6442       11.88782      165.7069       5.086684      127.9862 4.644183 128.6675 1.976678 -0.6813126     5.047345 
1 1 1 6  5  32 o 21.59319 5.777396 0.6827350      4.421447      -3.721497      8.225125      5.086684       3.253211      20.87450 9.391507 22.31188 6.731478 -1.437378      11.55479 
1 1 1 6  5  33 o 160.1753 2.590443 257.7348       8.373900      266.9446       14.87749      248.5249       7.700871      162.8516 4.567804 157.4990 2.444737 5.352661       5.180886 
1 1 1 6  5  34 o 74.90816 4.895312 57.04453       7.382068      58.73774       14.19737      55.34425       4.067930      75.51698 9.400120 74.29933 2.737528 1.217651       9.790624 
1 1 1 6  5  35 o 76.44839 5.104075 60.11922       8.295970      70.06588       16.06769      50.17255       4.158612      82.18366 9.775476 70.71313 2.940481 11.47054       10.20815 
1 1 1 6  5  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  5  37 o 81.44906 5.667058 68.68439       9.238212      70.91602       18.01593      66.45986       4.101936      81.51730 11.05037 81.38082 2.520211 0.1364746      11.33412 
1 1 1 6  5  38 o 75.86739 6.609187 61.99661       8.310139      47.31750       16.19521      76.65448       3.732124      64.31701 13.04487 87.41777 2.134648 -23.10076      13.21837 
1 1 1 6  5  39 f 93.82422 5.448501 92.45296       10.12378      92.31127       18.16470      92.59465       8.933578      92.31715 9.838207 95.33128 4.685544 -3.014137      10.89700 
1 1 1 6  5  40 o 49.05941 7.383812 25.58219       8.324308      7.183701       14.99084      43.97360       7.233293      32.77059 13.69134 65.34824 5.534421 -32.57765      14.76762 
1 1 1 6  5  41 o 195.9117 4.212250 401.0546       16.49984      408.3516       28.21055      393.6867       17.11619      195.7551 7.205571 196.0684 4.364854 -0.3132477     8.424500 
1 1 1 6  5  42 o 25.71726 11.89569 -4.767881      14.46659      -4.767881      14.46659      ?              ?             25.71726 11.89569 ?        ?        ?              ?        
1 1 1 6  5  43 o 26.86458 7.749784 8.898154       6.774924      15.19629       11.94450      2.595059       6.398028      32.81507 12.72386 20.91409 8.850986 11.90099       15.49957 
1 1 1 6  5  44 o 50.44312 6.514099 31.28523       6.074974      24.08027       10.25838      38.49727       6.509964      41.09730 11.83619 59.78893 5.444121 -18.69163      13.02820 
1 1 1 6  5  45 o 103.1101 4.113570 119.0907       8.352647      117.6738       14.11236      120.5076       8.954830      99.80745 7.069793 106.4127 4.207596 -6.605225      8.227140 
1 1 1 6  5  46 o 42.89292 6.946897 27.73589       6.150070      27.94134       10.61969      27.53044       6.206746      38.05602 12.27852 47.72982 6.501958 -9.673805      13.89379 
1 1 1 6  6  0  o 360.7260 4.510836 1302.134       32.53210      1302.134       32.53210      1302.134       32.53210      360.7260 4.510836 360.7260 4.510836 0.000000       0.000000 
1 1 1 6  6  1  o 67.46129 1.837631 45.51803       2.482415      46.41776       3.764004      44.62538       3.238333      68.12475 2.762582 66.79783 2.423981 1.326920       3.675261 
1 1 1 6  6  2  o 312.2309 2.447118 974.8296       15.28131      985.4564       21.80614      964.9113       21.41650      313.8751 3.473698 310.5866 3.447749 3.288483       4.894237 
1 1 1 6  6  3  o 249.0479 2.056653 620.4621       10.24421      631.0180       14.70037      609.8353       14.27530      251.1735 2.926339 246.9223 2.890647 4.251160       4.113307 
1 1 1 6  6  4  o 104.9750 1.478369 110.2351       3.104436      115.4068       4.480249      105.1342       4.298177      107.4212 2.085365 102.5289 2.096081 4.892334       2.956739 
1 1 1 6  6  5  o 163.9381 1.746047 268.8575       5.719331      264.3942       8.558097      273.2498       7.587519      162.5859 2.631869 165.2903 2.295211 -2.704330      3.492095 
1 1 1 6  6  6  f 228.4054 1.943218 521.7747       8.876901      519.0117       12.50417      524.6086       12.60336      227.7930 2.744635 229.0178 2.751611 -1.224762      3.886436 
1 1 1 6  6  7  o 207.1367 1.827148 429.1801       7.566265      430.5970       10.76847      427.6924       10.64095      207.4870 2.594974 206.7863 2.572932 0.7006378      3.654295 
1 1 1 6  6  8  o 373.0985 2.954643 1392.816       22.03285      1385.732       34.82040      1399.901       27.00618      372.1230 4.678615 374.0740 3.609738 -1.950958      5.909285 
1 1 1 6  6  9  o 444.4464 3.442193 1977.289       30.50593      1923.447       47.36000      2031.131       38.45476      438.3523 5.402048 450.5404 4.267627 -12.18805      6.884385 
1 1 1 6  6  10 o 377.7802 2.997198 1428.239       22.70588      1457.285       36.50652      1399.192       27.02035      381.5892 4.783485 373.9712 3.612625 7.617981       5.994397 
1 1 1 6  6  11 o 511.0085 3.919562 2614.187       39.97794      2569.555       62.51378      2658.820       49.84667      506.5826 6.170146 515.4343 4.835405 -8.851624      7.839123 
1 1 1 6  6  12 o 267.3862 2.359309 715.5363       12.60336      705.6888       19.02193      724.7462       16.54235      265.5983 3.580958 269.1740 3.072798 -3.575653      4.718617 
1 1 1 6  6  13 o 621.0306 4.721267 3861.063       58.61730      3846.893       92.52380      3875.231       71.97870      619.8056 7.463937 622.2557 5.783691 -2.450134      9.442534 
1 1 1 6  6  14 o 479.4603 3.865468 2300.343       37.03786      2275.547       55.72681      2325.139       48.80524      476.8545 5.843168 482.0660 5.062091 -5.211578      7.730937 
1 1 1 6  6  15 o 417.0456 3.423531 1740.666       28.65688      1802.301       44.77415      1679.031       35.76973      424.4126 5.274838 409.6787 4.365584 14.73389       6.847061 
1 1 1 6  6  16 o 782.1018 7.017511 6131.650       110.0226      6223.749       181.6470      6040.260       124.2624      787.6226 11.53135 776.5810 8.000610 11.04156       14.03502 
1 1 1 6  6  17 o 177.8226 3.159151 316.5363       11.04476      299.3917       19.79414      333.7516       9.790804      172.9703 5.721833 182.6750 2.679842 -9.704727      6.318301 
1 1 1 6  6  18 o 333.3972 3.217499 1112.269       21.54402      1137.774       35.89017      1086.765       23.84649      337.1879 5.321983 329.6065 3.617418 7.581421       6.434999 
1 1 1 6  6  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  6  20 o 87.05865 2.502324 0.000000       0.000000      ?              ?             75.80434       4.356979      ?        ?        87.05865 2.502324 ?              ?        
1 1 1 6  6  21 o 345.7291 3.831916 0.000000       0.000000      ?              ?             1195.867       26.49610      ?        ?        345.7291 3.831916 ?              ?        
1 1 1 6  6  22 o 420.2147 3.820021 1768.296       32.00785      1748.459       55.82600      1787.424       31.32065      417.7677 6.681465 422.6617 3.705168 -4.894012      7.640042 
1 1 1 6  6  23 o 322.0640 3.123070 1037.882       20.17671      1049.926       35.81224      1026.547       18.60394      323.7936 5.530102 320.3344 2.903832 3.459229       6.246140 
1 1 1 6  6  24 o 397.0441 3.708878 1579.139       29.23781      1528.130       49.27282      1630.148       31.49068      390.5005 6.308932 403.5878 3.901342 -13.08725      7.417755 
1 1 1 6  6  25 o 120.2098 2.543715 144.6659       6.137318      146.0827       11.46275      143.2489       4.382482      120.7499 4.746485 119.6697 1.831074 1.080170       5.087430 
1 1 1 6  6  26 o 119.1384 2.477021 142.1863       5.967289      146.4370       11.24313      137.8647       4.008420      120.8783 4.650597 117.3984 1.707186 3.479919       4.954043 
1 1 1 6  6  27 o 320.8557 3.112368 1031.506       19.90749      1021.588       35.09670      1042.133       18.80939      319.0527 5.500142 322.6588 2.914750 -3.606049      6.224735 
1 1 1 6  6  28 o 201.6156 2.046831 0.000000       0.000000      ?              ?             406.7222       8.253463      ?        ?        201.6156 2.046831 ?              ?        
1 1 1 6  6  29 o 66.20630 4.581717 44.27115       6.308763      48.42268       12.37665      40.11962       2.452660      69.09372 8.956424 63.31887 1.936753 5.774849       9.163435 
1 1 1 6  6  30 o 149.9013 3.340204 225.8544       9.911241      220.9661       18.71730      230.7427       6.534760      147.9801 6.324263 151.8225 2.152105 -3.842453      6.680408 
1 1 1 6  6  31 o 150.1530 3.450933 226.7754       10.31506      224.8626       19.33365      228.6882       7.183701      149.1864 6.479694 151.1196 2.376827 -1.933105      6.901865 
1 1 1 6  6  32 f 157.1574 3.500830 248.8083       10.88182      242.9281       20.36799      254.6884       7.665448      154.8630 6.576133 159.4519 2.403687 -4.588913      7.001660 
1 1 1 6  6  33 o 119.3787 3.755307 144.0283       8.678535      133.5432       16.35107      154.5133       5.819223      114.5702 7.135827 124.1872 2.342924 -9.616959      7.510613 
1 1 1 6  6  34 o 91.15256 4.595572 84.58914       7.927575      74.74166       15.05460      94.36578       4.971206      85.27654 8.826930 97.02857 2.561723 -11.75203      9.191144 
1 1 1 6  6  35 o 79.02274 4.038808 63.52687       6.651654      71.19940       12.58919      55.84726       4.308095      83.43833 7.544007 74.60714 2.887187 8.831192       8.077617 
1 1 1 6  6  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  6  37 o 130.4172 4.288291 173.6415       11.17229      176.7587       14.89874      170.5244       16.64862      131.7623 5.653645 129.0721 6.449346 2.690125       8.576582 
1 1 1 6  6  38 o 32.03865 8.469471 9.330310       7.367898      7.700871       10.78972      10.95975       10.03168      30.92043 12.07174 33.15687 11.88280 -2.236444      16.93894 
1 1 1 6  6  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  6  40 o 99.89114 4.546077 104.0716       9.082352      103.7882       12.83715      104.3549       12.85132      99.75167 6.434552 100.0306 6.423691 -0.2789459     9.092155 
1 1 1 6  6  41 o 108.5688 4.401474 124.2624       9.564099      119.9409       12.96467      128.5840       14.06985      106.8177 6.068596 110.3200 6.376836 -3.502335      8.802948 
1 1 1 6  6  42 o 78.03320 5.704039 67.91219       8.891070      66.08438       12.92925      69.74708       12.19954      76.59936 8.439526 79.46704 7.675849 -2.867683      11.40808 
1 1 1 6  6  43 o 27.89290 7.714572 8.586436       6.298845      7.051930       9.174451      10.12378       8.636027      26.70965 10.88275 29.07614 10.93729 -2.366486      15.42914 
1 1 1 6  6  44 o 70.88733 4.709728 56.83908       6.526966      68.11765       9.103605      45.55345       9.358648      78.96070 5.764644 62.81395 7.449499 16.14675       9.419456 
1 1 1 6  6  45 o 29.20654 7.381365 12.85132       5.477040      14.20446       7.792970      11.50526       7.700871      30.55767 10.51932 27.85540 10.35771 2.702269       14.76273 
1 1 1 6  7  0  o 224.6725 2.745836 505.0553       12.33415      505.0553       12.33415      505.0553       12.33415      224.6725 2.745836 224.6725 2.745836 0.000000       0.000000 
1 1 1 6  7  1  o 534.8573 3.970036 2863.562       42.47168      2874.189       60.26799      2852.227       59.85000      535.8822 5.623250 533.8323 5.605693 2.049866       7.940072 
1 1 1 6  7  2  o 317.2859 2.498935 1007.418       15.85515      1013.086       22.55002      1001.042       22.30206      318.2343 3.542991 316.3376 3.525042 1.896698       4.997870 
1 1 1 6  7  3  o 388.5655 2.968606 1511.128       23.07428      1543.717       33.29723      1477.830       31.95826      392.8005 4.238441 384.3304 4.157654 8.470062       5.937211 
1 1 1 6  7  4  o 109.2155 1.706585 119.3033       3.724331      118.1698       5.716498      120.4368       4.775673      108.6949 2.629606 109.7361 2.175981 -1.041176      3.413169 
1 1 1 6  7  5  o 152.1401 1.621074 231.5220       4.932950      227.2713       6.910948      235.7727       7.040594      150.7434 2.292289 153.5369 2.292802 -2.793518      3.242149 
1 1 1 6  7  6  o 269.0960 2.207335 724.0377       11.88074      712.7025       16.57069      736.0814       17.03118      266.9252 3.103995 271.2669 3.139193 -4.341736      4.414670 
1 1 1 6  7  7  o 547.5541 4.061191 3001.002       44.47660      2999.585       62.87510      3003.127       62.91760      547.3925 5.743145 547.7156 5.743638 -0.3230591     8.122382 
1 1 1 6  7  8  o 282.8261 2.292859 800.5505       12.97175      797.0083       18.29222      803.3843       18.39141      282.2628 3.240283 283.3894 3.244900 -1.126678      4.585718 
1 1 1 6  7  9  o 295.4292 2.373051 873.5211       14.02026      862.1858       19.61703      884.1478       20.04210      293.5720 3.341094 297.2864 3.370841 -3.714447      4.746101 
1 1 1 6  7  10 o 340.8547 2.526551 1162.569       17.25788      1195.867       26.34024      1129.272       22.30915      345.7267 3.809402 335.9827 3.319985 9.743988       5.053102 
1 1 1 6  7  11 o 637.6339 5.067877 4072.181       64.60371      4050.219       97.48296      4094.143       84.80168      635.8425 7.665653 639.4254 6.631085 -3.582825      10.13575 
1 1 1 6  7  12 f 296.3224 2.907852 879.1887       17.12328      842.3492       27.52335      915.3197       20.36090      290.1471 4.743001 302.4977 3.365465 -12.35059      5.815703 
1 1 1 6  7  13 o 362.1572 3.443971 1312.053       25.03669      1338.266       41.60029      1286.548       27.86341      365.6903 5.687912 358.6241 3.884765 7.066193       6.887942 
1 1 1 6  7  14 o 203.7616 2.397770 415.4361       9.826226      433.0766       15.87640      397.8665       11.59027      208.0743 3.815081 199.4489 2.905574 8.625381       4.795540 
1 1 1 6  7  15 o 465.1764 4.291435 2165.737       39.94960      2174.239       65.67348      2157.236       45.51094      466.0208 7.046197 464.3320 4.900690 1.688721       8.582870 
1 1 1 6  7  16 o 251.2366 2.666176 0.000000       0.000000      ?              ?             631.3014       13.39682      ?        ?        251.2366 2.666176 ?              ?        
1 1 1 6  7  17 o 197.7926 2.636198 0.000000       0.000000      ?              ?             391.2779       10.42841      ?        ?        197.7926 2.636198 ?              ?        
1 1 1 6  7  18 o 667.4048 5.084325 4460.413       67.87676      4466.789       107.6138      4454.745       82.74717      667.7314 8.058167 667.0783 6.202208 0.6530762      10.16865 
1 1 1 6  7  19 o 435.7873 3.606032 1900.068       31.44109      1907.152       48.11805      1893.692       40.47385      436.5337 5.511378 435.0409 4.651730 1.492859       7.212065 
1 1 1 6  7  20 o 313.1077 2.707400 980.4973       17.00284      999.6255       27.58003      962.0775       19.89333      316.0857 4.362746 310.1298 3.207258 5.955872       5.414800 
1 1 1 6  7  21 o 103.2433 3.449196 108.4640       6.456121      80.83435       11.60444      136.0936       5.655571      89.83991 6.458399 116.6467 2.424231 -26.80680      6.898392 
1 1 1 6  7  22 o 236.2080 2.926953 558.4017       13.82190      554.4344       20.26880      562.2982       18.80231      235.3691 4.305749 237.0469 3.965947 -1.677841      5.853906 
1 1 1 6  7  23 o 92.93659 3.158919 86.85619       5.566306      74.52913       10.16628      99.25409       4.538342      86.25912 5.892875 99.61407 2.277962 -13.35495      6.317839 
1 1 1 6  7  24 o 240.9363 3.619887 581.5681       17.20121      560.2437       31.85199      602.9633       13.00717      236.3715 6.737698 245.5012 2.649106 -9.129700      7.239774 
1 1 1 6  7  25 o 267.7562 3.770697 719.0786       19.97834      700.3754       37.46293      737.4984       13.88566      264.0261 7.094550 271.4863 2.557340 -7.460175      7.541394 
1 1 1 6  7  26 o 236.6187 3.553655 561.4480       16.93908      572.8541       32.14954      550.0419       10.68345      238.7721 6.732265 234.4654 2.278258 4.306702       7.107310 
1 1 1 6  7  27 o 159.7824 3.301623 256.1053       10.34340      244.7701       19.78706      267.4406       6.042386      156.0632 6.339437 163.5015 1.847807 -7.438293      6.603246 
1 1 1 6  7  28 o 104.2023 3.658102 109.1016       7.842561      116.4695       15.30256      101.8045       3.432449      107.5276 7.115644 100.8771 1.701303 6.650482       7.316203 
1 1 1 6  7  29 o 46.87084 6.522323 22.62086       5.922657      13.90691       11.43441      31.32774       3.093101      37.81202 12.74820 55.92966 2.765170 -18.11765      13.04465 
1 1 1 6  7  30 f 153.3559 2.633206 0.000000       0.000000      ?              ?             235.5602       8.076350      ?        ?        153.3559 2.633206 ?              ?        
1 1 1 6  7  31 o 102.6073 3.245488 105.9135       6.578683      101.1669       11.36357      110.6602       6.628275      100.1574 5.672854 105.0573 3.154600 -4.899879      6.490976 
1 1 1 6  7  32 o 38.77975 5.759254 14.70746       4.873440      4.226623       9.096521      25.19254       3.502585      27.45769 10.97532 50.10182 3.495467 -22.64413      11.51851 
1 1 1 6  7  33 o 90.47774 3.448886 82.60548       6.070015      76.93786       11.19354      88.34394       4.698452      87.06966 6.427921 93.88580 2.502217 -6.816139      6.897772 
1 1 1 6  7  34 o 54.72824 6.343178 33.60895       5.797261      11.90907       10.86765      55.30883       4.033216      35.19199 12.39234 74.26449 2.715441 -39.07250      12.68636 
1 1 1 6  7  35 o 160.4865 3.102652 259.6476       9.847479      252.9173       18.02301      266.4487       7.955913      157.9463 5.705426 163.0267 2.440065 -5.080429      6.205304 
1 1 1 6  7  36 o 90.40724 5.271376 84.51830       9.259464      74.88335       15.30964      94.08241       10.41424      84.60824 9.047372 96.20625 5.412456 -11.59801      10.54275 
1 1 1 6  7  37 o 86.64517 4.512019 77.36294       7.962997      89.05238       13.09219      65.68056       9.068183      93.00566 7.038383 80.28469 5.647517 12.72097       9.024038 
1 1 1 6  7  38 o 34.75409 8.048571 12.83715       6.689201      12.68129       11.14395      12.99301       7.403321      35.12337 12.53055 34.38482 10.10462 0.7385483      16.09714 
1 1 1 6  7  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  7  40 o 54.68958 6.435056 33.07761       6.850020      33.87108       11.09435      32.27706       8.033843      54.19672 10.61371 55.18245 7.279347 -0.9857254     12.87011 
1 1 1 6  7  41 o 37.42507 7.991836 17.71838       6.638193      23.15220       10.95975      12.27747       7.488335      42.61933 12.22096 32.23082 10.30174 10.38851       15.98367 
1 1 1 6  7  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  7  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  7  44 o 28.99386 6.902880 10.92433       4.971914      7.715039       7.424574      14.14070       6.613398      25.33929 9.982876 32.64843 9.536309 -7.309143      13.80576 
1 1 1 6  7  45 o 62.32089 4.755152 45.78724       5.931867      47.36000       8.947746      44.22156       7.792970      62.81432 7.122377 61.82746 6.302191 0.9868660      9.510303 
1 1 1 6  8  0  o 465.1356 4.955171 2165.029       46.08479      2165.029       46.08479      2165.029       46.08479      465.1356 4.955171 465.1356 4.955171 -0.000000      0.000000 
1 1 1 6  8  1  o 425.1129 3.229686 1807.969       27.45959      1804.427       38.76648      1812.220       38.90108      424.6550 4.564468 425.5707 4.570462 -0.9156799     6.459372 
1 1 1 6  8  2  o 519.4341 3.874237 2700.618       40.25423      2732.499       57.56879      2668.738       56.27233      522.4976 5.509001 516.3707 5.448831 6.126892       7.748474 
1 1 1 6  8  3  o 277.7798 2.276805 772.2125       12.64586      770.0871       17.86007      773.6293       17.91675      277.4612 3.218481 278.0985 3.221295 -0.6373291     4.553610 
1 1 1 6  8  4  o 70.43150 1.862403 49.71915       2.622689      54.23198       3.817138      45.20631       3.596810      73.63476 2.591941 67.22823 2.675074 6.406525       3.724805 
1 1 1 6  8  5  o 379.4059 2.926890 1440.282       22.20996      1432.490       31.24981      1448.075       31.56861      378.3800 4.129421 380.4319 4.149049 -2.051910      5.853779 
1 1 1 6  8  6  f 84.68387 1.867304 71.76617       3.167488      73.53729       4.813221      69.94544       4.120355      85.74272 2.806781 83.62501 2.463591 2.117714       3.734608 
1 1 1 6  8  7  o 64.90714 2.079801 42.22372       2.685741      46.02103       3.705911      38.43351       3.888692      67.83006 2.731762 61.98423 3.136840 5.845825       4.159602 
1 1 1 6  8  8  o 195.8146 2.366605 383.6266       9.287803      375.7628       11.54776      391.4904       14.55160      193.8155 2.979061 197.8137 3.678107 -3.998184      4.733210 
1 1 1 6  8  9  o 262.2618 2.511740 688.1193       13.17720      699.0294       18.98651      677.2799       18.27806      264.3329 3.591401 260.1907 3.512434 4.142181       5.023481 
1 1 1 6  8  10 o 152.9845 1.908348 234.0725       5.838351      230.6719       8.246379      237.5439       8.267632      151.8615 2.715098 154.1074 2.682425 -2.245895      3.816696 
1 1 1 6  8  11 o 349.3374 3.144439 1221.371       21.96909      1219.246       31.15771      1222.788       30.98060      349.0834 4.462789 349.5915 4.430972 -0.5080566     6.288878 
1 1 1 6  8  12 o 208.2956 2.388008 434.2810       10.04585      456.8805       16.89658      411.6813       10.87473      213.7088 3.953178 202.8823 2.680059 10.82643       4.776017 
1 1 1 6  8  13 o 553.6130 4.872734 3067.596       53.81400      3033.591       90.54014      3102.311       58.21348      550.3983 8.224966 556.8277 5.227244 -6.429443      9.745468 
1 1 1 6  8  14 o 385.5351 3.230529 1487.040       24.90916      1485.623       37.81715      1488.457       32.42584      385.3381 4.907009 385.7320 4.203156 -0.3938904     6.461057 
1 1 1 6  8  15 o 213.4162 2.471721 456.0304       10.72596      483.9434       19.02193      428.1174       9.911241      219.9369 4.324407 206.8955 2.395229 13.04140       4.943442 
1 1 1 6  8  16 o 336.6237 2.774882 1133.523       18.66770      1128.564       29.63454      1138.482       22.72005      335.8731 4.411568 337.3742 3.367188 -1.501129      5.549764 
1 1 1 6  8  17 o 319.8801 3.008777 1023.713       19.24864      1030.089       27.41000      1017.337       27.03452      320.8757 4.271124 318.8845 4.238921 1.991211       6.017554 
1 1 1 6  8  18 o 128.7598 2.320355 166.2736       6.094102      183.9141       10.33631      148.7040       6.455412      135.5874 3.811680 121.9323 2.647130 13.65505       4.640711 
1 1 1 6  8  19 o 117.2193 2.496912 137.8647       5.826308      123.3415       8.253463      152.3171       8.232210      111.0394 3.716456 123.3991 3.335603 -12.35970      4.993825 
1 1 1 6  8  20 o 208.9477 2.205678 436.8314       9.266549      450.3628       15.29548      423.3000       10.46383      212.1739 3.604466 205.7215 2.543204 6.452408       4.411356 
1 1 1 6  8  21 o 476.0166 4.275472 2269.171       40.67222      2261.378       68.70565      2276.964       43.53436      475.0526 7.231374 476.9807 4.563535 -1.928131      8.550943 
1 1 1 6  8  22 o 135.9552 1.984293 184.9059       5.392026      184.4100       9.039845      185.4018       5.881567      135.7628 3.329278 136.1476 2.159996 -0.3848114     3.968586 
1 1 1 6  8  23 o 283.1239 2.849697 802.6758       16.01810      765.1279       25.63887      840.2238       19.20613      276.4611 4.636977 289.7867 3.313839 -13.32562      5.699393 
1 1 1 6  8  24 o 268.9262 2.739930 724.0377       14.70746      714.8279       24.02360      733.2476       16.96033      267.1645 4.496032 270.6880 3.132821 -3.523468      5.479860 
1 1 1 6  8  25 o 109.6537 2.998605 120.4368       6.626858      123.4832       12.10744      117.4613       5.396277      110.9608 5.455731 108.3465 2.490286 2.614220       5.997210 
1 1 1 6  8  26 o 233.4737 2.737739 546.0746       12.72379      537.7858       22.62795      554.2927       11.63986      231.5935 4.885273 235.3538 2.472843 -3.760330      5.475477 
1 1 1 6  8  27 o 103.6771 2.946684 107.7555       6.026799      104.3549       11.46984      111.1561       3.703078      101.9447 5.625515 105.4094 1.756521 -3.464699      5.893368 
1 1 1 6  8  28 o 248.4368 2.824469 618.7618       14.01318      616.4239       24.95167      621.0997       12.75922      247.7837 5.034970 249.0898 2.561168 -1.306107      5.648938 
1 1 1 6  8  29 o 115.0809 2.753106 132.9055       6.277591      130.0009       11.79572      135.7394       4.301011      113.6963 5.187380 116.4655 1.846475 -2.769112      5.506213 
1 1 1 6  8  30 o 108.9735 3.101445 119.3033       6.708330      116.3986       11.84531      122.2079       6.296011      107.5049 5.509197 110.4422 2.850366 -2.937248      6.202889 
1 1 1 6  8  31 f 82.80891 3.668118 69.44244       5.727124      59.07779       10.49217      79.84251       4.588642      76.34759 6.871318 89.27023 2.570085 -12.92265      7.336236 
1 1 1 6  8  32 o 89.72737 3.388332 81.11773       5.973666      77.64632       11.12978      84.51830       4.333600      87.59640 6.352874 91.85835 2.358849 -4.261955      6.776664 
1 1 1 6  8  33 o 43.05991 5.849436 19.61703       5.294969      23.71897       10.08127      15.50801       3.244709      46.85514 10.94493 39.26468 4.131843 7.590462       11.69887 
1 1 1 6  8  34 o 100.6780 3.375317 102.4421       6.976833      110.1643       13.24096      94.72000       4.412238      104.1307 6.357858 97.22534 2.269078 6.905365       6.750635 
1 1 1 6  8  35 o 140.1132 4.038319 199.3583       11.30689      198.5790       17.86007      200.2085       13.86440      139.5505 6.399143 140.6759 4.927782 -1.125412      8.076637 
1 1 1 6  8  36 o 151.7897 3.731368 233.9308       11.28564      227.2005       17.44917      240.6611       14.32489      149.3501 5.841701 154.2293 4.644025 -4.879242      7.462737 
1 1 1 6  8  37 o 55.97990 6.396031 34.25364       7.183701      45.19923       11.86657      23.30806       8.090520      65.55488 9.050866 46.40493 9.039839 19.14995       12.79206 
1 1 1 6  8  38 o 80.29769 4.686558 66.82825       7.622942      73.82067       12.48292      59.85709       8.763549      84.17741 7.414650 76.41798 5.733957 7.759430       9.373116 
1 1 1 6  8  39 o 72.93036 5.565123 56.49903       8.012589      53.36059       12.86548      59.63747       9.549930      70.13710 9.171669 75.72362 6.305780 -5.586517      11.13025 
1 1 1 6  8  40 o 115.4861 3.926369 138.2898       8.976085      127.3088       13.76522      149.2708       11.51234      110.3751 6.235652 120.5970 4.773064 -10.22185      7.852738 
1 1 1 6  8  41 o 59.23662 6.402941 39.82207       7.261631      38.05095       11.68237      41.60029       8.628942      56.26951 10.76485 62.20372 6.936035 -5.934208      12.80588 
1 1 1 6  8  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  8  43 o 38.77876 9.032902 23.32932       8.210957      23.71188       12.60336      22.94675       10.53468      38.23498 13.35676 39.32253 12.16430 -1.087551      18.06580 
1 1 1 6  8  44 o 17.30890 5.659960 -4.579432      4.948535      -10.91016      7.459997      1.747751       6.503587      14.86325 7.303366 19.75454 8.648783 -4.891293      11.31992 
1 1 1 6  8  45 f 55.36999 5.407866 38.44768       5.621565      28.09011       7.828392      48.80524       8.069265      45.87373 8.848310 64.86624 6.219927 -18.99251      10.81573 
1 1 1 6  9  0  o 484.1392 5.160259 2345.684       49.95294      2345.684       49.95294      2345.684       49.95294      484.1392 5.160259 484.1392 5.160259 0.000000       0.000000 
1 1 1 6  9  1  o 409.9763 3.143331 1681.865       25.77348      1691.783       36.65530      1671.946       36.24440      411.1844 4.457281 408.7681 4.433369 2.416382       6.286662 
1 1 1 6  9  2  o 74.82236 1.929870 56.32192       2.881982      47.83466       3.893651      64.80209       4.250711      69.15389 2.815207 80.49082 2.640494 -11.33693      3.859741 
1 1 1 6  9  3  o 197.7916 1.882428 391.3488       7.445828      394.9619       10.61261      387.6649       10.44966      198.7135 2.670328 196.8696 2.653956 1.843933       3.764855 
1 1 1 6  9  4  o 471.5668 4.108172 2226.664       38.74523      2250.043       55.45761      2202.577       54.13280      474.0768 5.849011 469.0568 5.770390 5.020020       8.216345 
1 1 1 6  9  5  o 293.4919 2.762595 861.4774       16.21646      857.2267       22.93967      866.4365       22.92550      292.7074 3.918533 294.2765 3.895232 -1.569092      5.525191 
1 1 1 6  9  6  o 91.84531 1.968597 84.58914       3.609562      76.15857       5.001670      93.01972       5.206412      87.25626 2.866081 96.43435 2.699460 -9.178093      3.937195 
1 1 1 6  9  7  o 230.2622 2.340312 530.4887       10.78264      539.7693       15.59302      521.1371       14.89166      232.2831 3.356471 228.2413 3.262262 4.041779       4.680625 
1 1 1 6  9  8  o 247.8350 2.444262 614.5111       12.11453      600.8380       16.93908      628.2551       17.32873      245.0705 3.455961 250.5995 3.457455 -5.529022      4.888524 
1 1 1 6  9  9  o 252.7829 2.610302 639.3069       13.23388      650.4296       21.61486      628.1841       15.27422      254.9653 4.238786 250.6005 3.047524 4.364761       5.220604 
1 1 1 6  9  10 o 173.0787 1.797563 299.8876       6.230834      319.1575       9.188620      280.6886       8.416408      178.6339 2.571913 167.5234 2.512009 11.11050       3.595125 
1 1 1 6  9  11 o 195.8248 2.126469 383.5558       8.331393      382.4931       11.73905      384.6184       11.81698      195.5536 3.001491 196.0960 3.013059 -0.5423889     4.252937 
1 1 1 6  9  12 f 26.50636 4.328569 7.240376       2.361978      10.17337       3.364437      4.308095       3.314846      31.88649 5.275647 21.12622 6.863935 10.76027       8.657139 
1 1 1 6  9  13 o 343.7536 2.731681 1181.698       18.78106      1191.616       26.75822      1172.488       26.36149      345.1439 3.876386 342.3633 3.849930 2.780640       5.463363 
1 1 1 6  9  14 o 490.5237 4.009398 2408.028       39.32616      2400.943       59.45327      2415.112       51.49028      489.7740 6.069460 491.2733 5.240492 -1.499268      8.018797 
1 1 1 6  9  15 o 323.4164 2.818355 1046.383       18.20721      1032.923       27.69338      1059.844       23.65520      321.3267 4.309225 325.5060 3.633605 -4.179321      5.636710 
1 1 1 6  9  16 o 308.9962 3.182598 954.9930       19.58869      933.7395       32.09995      976.9550       22.45792      305.4755 5.254096 312.5168 3.593074 -7.041351      6.365195 
1 1 1 6  9  17 o 620.4537 5.441490 3856.103       67.46586      3841.934       113.8482      3870.272       72.40377      619.0913 9.194783 621.8162 5.821960 -2.724854      10.88298 
1 1 1 6  9  18 o 197.5728 2.348903 390.4278       9.280719      390.7112       15.72054      390.2152       9.875818      197.6231 3.977407 197.5224 2.499923 0.1006317      4.697806 
1 1 1 6  9  19 o 249.2563 3.311339 621.6664       16.49276      619.6119       28.93317      623.7209       15.83390      248.8034 5.814466 249.7092 3.170467 -0.9058838     6.622679 
1 1 1 6  9  20 o 307.8907 3.096547 948.6169       18.95109      912.4859       30.39967      985.4564       22.64212      301.9355 5.034133 313.8460 3.607203 -11.91049      6.193093 
1 1 1 6  9  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  22 o 391.2009 3.745350 1533.090       29.53536      1596.850       49.60579      1469.329       32.07161      399.2421 6.212496 383.1597 4.185150 16.08240       7.490700 
1 1 1 6  9  23 o 58.99993 2.524720 35.21714       2.891901      27.91300       4.346352      42.52128       3.815013      52.80737 4.115289 65.19250 2.925960 -12.38513      5.049440 
1 1 1 6  9  24 o 326.9508 2.760285 1070.471       18.01593      1055.593       28.60020      1085.348       21.91241      324.6180 4.405209 329.2836 3.327286 -4.665619      5.520570 
1 1 1 6  9  25 o 338.1279 2.846273 1144.858       19.24155      1142.733       30.81765      1147.692       23.04594      337.6816 4.563122 338.5742 3.403380 -0.8926086     5.692546 
1 1 1 6  9  26 o 225.7631 2.548081 0.000000       0.000000      ?              ?             510.0853       11.50526      ?        ?        225.7631 2.548081 ?              ?        
1 1 1 6  9  27 o 173.9930 2.566072 303.4299       9.061099      316.3237       16.87532      290.5361       6.610563      177.5790 4.751496 170.4070 1.939639 7.171997       5.132145 
1 1 1 6  9  28 o 357.8226 3.463720 1285.840       24.71080      1274.505       43.63354      1297.175       23.20180      355.8145 6.131503 359.8307 3.223987 -4.016296      6.927440 
1 1 1 6  9  29 o 101.9302 2.989968 104.2841       6.113231      105.3468       11.64695      103.2923       3.709453      102.2658 5.694450 101.5947 1.825614 0.6711044      5.979935 
1 1 1 6  9  30 o 113.1551 2.962037 128.5840       6.684242      127.8755       12.28455      129.2924       5.270881      112.6773 5.451210 113.6328 2.319260 -0.9555283     5.924075 
1 1 1 6  9  31 o 133.0551 2.873647 178.1048       7.481250      166.7695       13.51017      189.3692       6.416448      128.6105 5.252361 137.4997 2.333259 -8.889221      5.747294 
1 1 1 6  9  32 o 188.8921 2.789260 358.6183       10.56302      363.0107       18.76689      354.2259       9.712874      189.7784 4.944423 188.0058 2.583132 1.772537       5.578520 
1 1 1 6  9  33 o 186.1057 2.900697 348.3457       10.79680      349.4793       19.34782      347.2122       9.585353      186.0859 5.198626 186.1255 2.574971 -0.3955078E-01 5.801395 
1 1 1 6  9  34 o 168.6312 3.114121 286.4979       10.52051      289.5442       18.39141      283.5224       10.22296      169.1850 5.435296 168.0774 3.041146 1.107574       6.228243 
1 1 1 6  9  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  36 o 44.50827 8.082111 21.92658       7.452912      23.10970       12.55377      20.73638       8.033843      45.31760 13.10728 43.69895 9.459450 1.618649       16.16422 
1 1 1 6  9  37 o 140.1504 3.704215 200.1376       10.32214      189.8651       15.85515      210.4102       13.21263      136.2563 5.818137 144.0446 4.586298 -7.788330      7.408431 
1 1 1 6  9  38 o 99.71432 4.306780 102.5130       8.558097      100.5293       13.46058      104.4258       10.57718      98.37805 6.841254 101.0506 5.233609 -2.672531      8.613561 
1 1 1 6  9  39 o 79.21754 4.850141 66.11272       7.814223      77.78800       12.66712      54.46577       9.146112      85.99928 7.364666 72.43580 6.313255 13.56348       9.700282 
1 1 1 6  9  40 o 78.17780 5.067321 64.86584       7.807138      60.74265       12.53960      68.98904       9.301972      74.86568 8.374730 81.48991 5.707438 -6.624229      10.13464 
1 1 1 6  9  41 o 52.63671 7.150641 32.24164       7.247461      27.98384       11.48400      36.49944       8.848563      47.25875 12.09829 58.01467 7.626143 -10.75591      14.30128 
1 1 1 6  9  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  9  43 o 74.79492 4.495187 61.70615       6.676449      58.16389       10.05293      65.24133       8.784801      71.92065 6.988904 77.66920 5.655268 -5.748550      8.990375 
1 1 1 6  9  44 o 17.60365 5.819508 -3.414029      5.227666      -5.778841      8.196787      -1.049217      6.492960      17.42497 8.337858 17.78233 8.120764 -0.3573608     11.63902 
1 1 1 6  9  45 o 70.87716 4.325850 58.67398       6.126691      55.95352       8.685618      61.38734       8.636027      68.92661 6.300629 72.82771 5.929080 -3.901108      8.651700 
1 1 1 6  10 0  o 380.6541 5.946810 1450.909       45.24882      1450.909       45.24882      1450.909       45.24882      380.6541 5.946810 380.6541 5.946810 0.000000       0.000000 
1 1 1 6  10 1  o 682.1276 6.510163 4666.572       88.91070      4629.024       111.4395      4704.120       138.5023      679.5875 8.199052 684.6676 10.11457 -5.080078      13.02033 
1 1 1 6  10 2  o 270.5209 2.645785 731.8307       14.31781      725.4547       20.18379      738.9152       20.30423      269.2773 3.747771 271.7645 3.735630 -2.487152      5.291570 
1 1 1 6  10 3  o 135.1099 2.008070 182.5680       5.425323      180.6552       7.736294      184.5517       7.608772      134.3885 2.878330 135.8312 2.800820 -1.442612      4.016140 
1 1 1 6  10 4  o 141.3511 2.008898 199.9251       5.680366      194.8951       8.005506      204.8842       8.055097      139.5845 2.867620 143.1177 2.814151 -3.533203      4.017796 
1 1 1 6  10 5  o 154.2784 1.796468 238.1106       5.543635      232.0888       7.750463      244.1325       7.927575      152.3272 2.544019 156.2296 2.537156 -3.902420      3.592936 
1 1 1 6  10 6  o 388.8601 3.028520 1513.253       23.55602      1545.842       33.95610      1480.664       32.66671      393.0457 4.319612 384.6746 4.246019 8.371094       6.057040 
1 1 1 6  10 7  o 389.4326 3.034500 1517.504       23.63395      1530.256       33.70813      1504.752       33.14137      391.0679 4.309755 387.7973 4.273028 3.270630       6.069000 
1 1 1 6  10 8  o 235.3876 2.106376 554.2219       9.911241      550.8212       13.96358      557.6224       14.08402      234.6655 2.975210 236.1097 2.982517 -1.444153      4.212752 
1 1 1 6  10 9  o 178.3956 1.855231 318.4491       6.624024      304.9885       9.103605      331.9097       9.620775      174.6238 2.606634 182.1674 2.640642 -7.543594      3.710462 
1 1 1 6  10 10 o 382.6796 2.994118 1465.078       22.91842      1450.909       32.13537      1479.247       32.68088      380.8296 4.219127 384.5295 4.249463 -3.699921      5.988236 
1 1 1 6  10 11 o 369.4173 2.911439 1365.187       21.50859      1374.396       30.60512      1355.977       30.23672      370.6631 4.128428 368.1715 4.106336 2.491516       5.822879 
1 1 1 6  10 12 o 525.7686 3.953847 2766.504       41.57903      2785.633       59.20531      2746.668       58.39060      527.6190 5.610613 523.9182 5.572492 3.700745       7.907695 
1 1 1 6  10 13 o 300.3589 2.863006 902.5676       17.20121      916.7366       24.38491      888.3986       24.25739      302.7173 4.027670 298.0006 4.070024 4.716736       5.726013 
1 1 1 6  10 14 o 501.5582 4.085696 2517.129       40.99102      2522.797       61.91869      2512.170       53.72898      502.0615 6.166444 501.0548 5.361588 1.006714       8.171392 
1 1 1 6  10 15 o 218.2414 2.645131 476.6464       11.50526      458.3683       17.41375      494.8536       15.04752      214.0572 4.067545 222.4256 3.382595 -8.368423      5.290262 
1 1 1 6  10 16 o 604.7796 6.396725 3665.530       77.36294      3678.990       109.4558      3652.778       109.3850      605.8627 9.033053 603.6965 9.059598 2.166260       12.79345 
1 1 1 6  10 17 o 256.2779 3.157990 657.5141       16.18104      624.7128       22.66337      690.3863       23.09553      249.8727 4.534983 262.6831 4.396082 -12.81035      6.315981 
1 1 1 6  10 18 o 269.6090 3.181613 727.5800       17.26497      763.7111       27.85633      691.7323       20.41758      276.2617 5.041656 262.9564 3.882313 13.30533       6.363226 
1 1 1 6  10 19 o 259.7573 2.592094 675.0128       13.45350      669.9828       20.84265      680.1137       17.02410      258.7707 4.027243 260.7438 3.264525 -1.973114      5.184188 
1 1 1 6  10 20 o 81.99593 2.454960 67.30292       4.051636      70.61139       6.520590      64.00153       4.811096      84.00534 3.881057 79.98653 3.007442 4.018814       4.909920 
1 1 1 6  10 21 o 553.0275 4.314981 3063.346       47.74965      3076.098       76.08772      3051.302       57.71048      554.0193 6.866883 552.0356 5.227061 1.983704       8.629963 
1 1 1 6  10 22 o 288.7654 2.662192 834.5562       15.40883      853.6844       24.23614      815.4280       19.05027      292.0532 4.149268 285.4776 3.336561 6.575562       5.324384 
1 1 1 6  10 23 o 199.2298 2.104871 397.1581       8.366816      392.1989       13.48184      402.1881       9.925409      197.9576 3.405234 200.5021 2.475138 -2.544525      4.209743 
1 1 1 6  10 24 o 73.18478 2.146153 53.66523       3.112229      50.05212       4.879108      57.28542       3.863896      70.70649 3.450254 75.66307 2.553357 -4.956581      4.292305 
1 1 1 6  10 25 f 174.9084 1.979616 306.1929       6.924408      305.9095       11.27855      306.4762       8.033843      174.8029 3.226078 175.0140 2.295200 -0.2111664     3.959232 
1 1 1 6  10 26 o 218.4831 2.159655 478.0633       9.493254      494.6411       15.62136      461.4854       10.78264      222.2304 3.514678 214.7359 2.510674 7.494476       4.319311 
1 1 1 6  10 27 o 91.97572 1.792991 84.80168       3.267380      78.28393       5.029299      91.31944       4.173490      88.42448 2.843839 95.52695 2.184456 -7.102478      3.585983 
1 1 1 6  10 28 o 70.86697 3.691618 50.56220       5.367939      53.92027       10.34340      47.19706       2.884107      73.06419 7.078295 68.66975 2.099984 4.394440       7.383237 
1 1 1 6  10 29 o 175.6448 2.713199 309.6643       9.408240      298.2582       17.14453      321.0703       7.736294      172.2030 4.978001 179.0866 2.159930 -6.883652      5.426398 
1 1 1 6  10 30 o 127.1672 3.029464 163.0856       7.927575      182.0721       14.01318      144.0991       7.410406      134.4463 5.211441 119.8881 3.090550 14.55814       6.058928 
1 1 1 6  10 31 o 157.5220 2.836466 249.4459       8.813140      238.6066       15.66387      260.2143       8.076350      153.8817 5.089581 161.1623 2.505657 -7.280624      5.672932 
1 1 1 6  10 32 o 40.98914 6.354051 17.25788       5.432408      14.77830       10.28672      19.73747       3.503294      37.67576 12.07738 44.30252 3.953832 -6.626759      12.70810 
1 1 1 6  10 33 o 40.72173 6.629885 16.97450       5.858188      15.43716       11.16520      18.51893       3.550761      38.54943 12.59723 42.89402 4.138992 -4.344589      13.25977 
1 1 1 6  10 34 o 117.1702 3.783839 139.2108       8.551013      125.1834       15.30964      153.2381       7.630026      110.7948 6.909006 123.5455 3.087942 -12.75067      7.567678 
1 1 1 6  10 35 o 30.06156 8.004413 -1.986499      8.763549      -19.18487      14.58702      15.21046       9.712874      22.70209 10.92535 37.42103 11.70125 -14.71894      16.00883 
1 1 1 6  10 36 o 87.84118 4.735405 79.20491       8.352647      82.46378       13.36140      75.94603       10.03876      89.37599 7.474827 86.30637 5.815772 3.069626       9.470810 
1 1 1 6  10 37 o 188.3638 3.587097 361.4521       13.55977      377.2506       20.92767      345.6536       17.24372      192.2278 5.443456 184.4998 4.673099 7.727936       7.174194 
1 1 1 6  10 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  10 39 o 45.24237 12.21137 24.50535       11.30689      24.50535       11.30689      ?              ?             45.24237 12.21137 ?        ?        ?              ?        
1 1 1 6  10 40 f 23.38808 7.288942 0.1494833      6.767131      -0.7870899     11.05893      1.086057       7.800055      24.53894 10.96944 22.23722 9.601361 2.301720       14.57788 
1 1 1 6  10 41 o 83.71678 5.190854 76.44194       8.480167      67.68549       13.34723      85.15590       10.45675      77.64671 8.594848 89.78685 5.823096 -12.14014      10.38171 
1 1 1 6  10 42 f 44.73288 7.408120 25.15004       6.796178      21.31023       10.84640      28.99693       8.189702      39.07365 12.38909 50.39211 8.125977 -11.31846      14.81624 
1 1 1 6  10 43 o 74.44294 4.577119 61.62113       6.742336      57.77424       10.32923      65.47511       8.671450      71.14742 7.259032 77.73846 5.577322 -6.591049      9.154239 
1 1 1 6  10 44 o 50.37329 6.129449 32.46126       5.972248      30.94518       8.976085      33.98443       7.877984      47.59787 9.764924 53.14872 7.411264 -5.550850      12.25890 
1 1 1 6  10 45 o 23.65999 6.782556 8.395153       5.025048      7.601687       7.346645      9.195704       6.861355      22.94250 9.584922 24.37747 9.599039 -1.434965      13.56511 
1 1 1 6  11 0  f 85.88376 3.943094 74.24575       6.742336      74.24575       6.742336      74.24575       6.742336      85.88376 3.943094 85.88376 3.943094 0.000000       0.000000 
1 1 1 6  11 1  o 227.4694 2.695809 517.6657       12.25622      522.8375       15.58594      512.5649       18.90858      228.6095 3.408857 226.3292 4.177228 2.280243       5.391618 
1 1 1 6  11 2  o 310.7486 2.959644 966.3282       18.39849      947.9085       25.48301      984.7480       26.54569      307.7887 4.139692 313.7085 4.230949 -5.919739      5.919289 
1 1 1 6  11 3  o 246.7526 2.549351 609.1977       12.58210      602.1132       17.56960      616.2114       18.01593      245.3256 3.580874 248.1796 3.629615 -2.853989      5.098703 
1 1 1 6  11 4  o 486.3674 3.991933 2368.354       38.75940      2447.701       52.56712      2289.716       56.98078      494.5089 5.315084 478.2260 5.957515 16.28284       7.983865 
1 1 1 6  11 5  o 332.8260 2.919260 1108.019       19.41158      1122.188       25.61762      1094.558       29.18113      334.9130 3.824518 330.7390 4.411505 4.174042       5.838520 
1 1 1 6  11 6  f 526.9991 3.969520 2779.965       41.84116      2813.970       59.84293      2745.959       58.49686      530.2198 5.643218 523.7783 5.584124 6.441528       7.939039 
1 1 1 6  11 7  f 443.7810 3.408833 1970.913       30.26506      2016.254       43.69022      1925.572       41.89075      448.8836 4.866542 438.6783 4.774655 10.20529       6.817665 
1 1 1 6  11 8  o 447.0007 3.431005 1999.251       30.67596      1999.959       43.42101      1998.542       43.33599      447.0797 4.856070 446.9218 4.848276 0.1579895      6.862011 
1 1 1 6  11 9  o 264.0168 2.306775 697.3999       12.17829      686.0647       17.07369      708.4518       17.37832      261.8976 3.259612 266.1361 3.264931 -4.238586      4.613550 
1 1 1 6  11 10 o 210.3809 2.596279 442.8532       10.95975      458.0141       17.12328      427.6924       13.68729      213.9777 4.001184 206.7841 3.309560 7.193558       5.192557 
1 1 1 6  11 11 o 208.6410 2.314612 435.4145       9.656199      432.2264       13.47475      438.6025       13.84315      207.8776 3.241031 209.4043 3.305364 -1.526718      4.629223 
1 1 1 6  11 12 o 366.4489 3.345167 1343.225       24.51243      1340.391       34.48035      1346.767       34.86291      366.0150 4.710238 366.8828 4.751234 -0.8677979     6.690333 
1 1 1 6  11 13 o 567.7261 5.506556 3228.415       62.70506      3144.818       76.93786      3311.304       99.04156      560.4908 6.863437 574.9614 8.612889 -14.47052      11.01311 
1 1 1 6  11 14 o 288.5929 2.665357 833.1393       15.37340      843.0576       20.49551      823.2209       22.91842      290.3161 3.529861 286.8696 3.994570 3.446503       5.330713 
1 1 1 6  11 15 o 208.6470 2.469468 435.4853       10.29380      438.8150       12.42624      432.1556       16.41483      209.4543 2.966338 207.8398 3.948914 1.614456       4.938935 
1 1 1 6  11 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 17 o 495.0942 4.082984 2453.369       40.40301      2425.031       60.31050      2481.707       53.77149      492.2081 6.126525 497.9804 5.398957 -5.772339      8.165969 
1 1 1 6  11 18 o 235.9473 2.218401 556.9139       10.47092      556.7723       15.76305      556.9848       13.77939      235.9200 3.340762 235.9745 2.919677 -0.5453491E-01 4.436801 
1 1 1 6  11 19 o 127.8620 2.253883 163.9357       5.850394      179.8051       9.712874      148.0664       6.527675      134.0581 3.622637 121.6659 2.682622 12.39211       4.507767 
1 1 1 6  11 20 o 395.4063 3.394145 1564.970       26.90700      1604.643       42.07495      1526.005       33.55936      400.3328 5.254997 390.4799 4.297194 9.852875       6.788290 
1 1 1 6  11 21 o 203.0457 2.167986 412.5315       8.841478      423.3000       14.46659      401.7630       10.16628      205.6819 3.516737 200.4095 2.536377 5.272369       4.335971 
1 1 1 6  11 22 o 372.1668 3.217755 1386.440       23.95984      1394.233       36.86074      1379.356       30.62637      373.1243 4.939473 371.2094 4.125215 1.914917       6.435511 
1 1 1 6  11 23 o 391.0394 3.765970 1535.215       28.94734      1409.819       47.75673      1661.319       32.72338      374.7847 6.371223 407.2942 4.017169 -32.50952      7.531940 
1 1 1 6  11 24 o 349.8654 2.949690 1226.330       20.53802      1180.281       32.08578      1273.088       25.66012      343.1653 4.674975 356.5654 3.598235 -13.40012      5.899380 
1 1 1 6  11 25 o 49.62749 2.685008 24.74622       2.682907      27.53044       4.157903      21.96909       3.391359      52.42035 3.965925 46.83463 3.620568 5.585720       5.370017 
1 1 1 6  11 26 o 139.6890 1.878182 195.3201       5.251045      196.5245       8.458915      194.1158       6.226583      140.1000 3.018884 139.2779 2.235309 0.8221130      3.756363 
1 1 1 6  11 27 o 42.26842 2.935005 17.95217       2.456911      16.40774       3.744876      19.49659       3.181657      40.43152 4.631134 44.10533 3.606885 -3.673809      5.870010 
1 1 1 6  11 28 o 32.03351 3.666522 10.59135       2.284757      12.75213       3.396318      8.423491       3.056970      35.62075 4.767330 28.44626 5.571903 7.174494       7.333044 
1 1 1 6  11 29 o 209.5766 2.823380 441.2946       12.05077      467.0822       21.95492      415.5070       9.918325      215.4569 5.094968 203.6964 2.434586 11.76051       5.646761 
1 1 1 6  11 30 o 76.18527 3.781901 58.52520       5.703745      57.61838       11.06602      59.43911       2.771463      75.31047 7.346931 77.06007 1.798249 -1.749596      7.563802 
1 1 1 6  11 31 o 211.4094 2.952747 449.3710       12.55377      459.8560       22.13912      438.8859       11.84531      213.5763 5.182953 209.2426 2.830522 4.333725       5.905494 
1 1 1 6  11 32 o 48.32906 6.150854 24.38491       5.683200      22.28789       10.71888      26.48193       3.785967      45.31595 11.73619 51.34217 3.686995 -6.026215      12.30171 
1 1 1 6  11 33 o 66.31960 5.108083 44.90876       6.529800      41.69947       12.39082      48.11805       4.121772      63.39281 9.773050 69.24639 2.976164 -5.853584      10.21617 
1 1 1 6  11 34 o 55.54450 7.059621 32.99260       7.828392      35.40842       15.01918      30.57678       4.416489      56.00937 13.53807 55.07964 4.009184 0.9297218      14.11924 
1 1 1 6  11 35 o 50.87174 7.792937 28.10428       8.097604      15.98976       13.29056      40.21881       9.252379      39.25067 13.71564 62.49281 7.402756 -23.24214      15.58587 
1 1 1 6  11 36 o 141.1171 3.849572 203.2548       10.75430      184.2683       16.22355      222.2413       14.11944      134.2120 6.044002 148.0222 4.769367 -13.81023      7.699144 
1 1 1 6  11 37 o 67.35795 5.909091 47.84175       7.778800      42.45752       12.31998      53.23307       9.507423      62.92987 9.788655 71.78602 6.622057 -8.856144      11.81818 
1 1 1 6  11 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 39 o 144.1452 3.798695 214.9443       10.87473      199.9959       16.30856      229.8218       14.39574      138.6782 5.880002 149.6122 4.811019 -10.93398      7.597389 
1 1 1 6  11 40 o 94.49141 4.716791 95.71184       8.721042      83.59731       13.45350      107.8264       11.09435      87.48298 7.689210 101.4998 5.465209 -14.01685      9.433581 
1 1 1 6  11 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  11 43 o 16.90871 5.703666 -6.052303      5.450828      -7.615856      8.501422      -4.490167      6.825933      17.26440 8.316333 16.55303 7.808063 0.7113781      11.40733 
1 1 1 6  11 44 o 57.11388 5.390763 40.01336       6.030342      36.13813       9.188620      43.88150       7.807138      52.70708 8.716685 61.52068 6.345133 -8.813606      10.78153 
1 1 1 6  12 0  o 40.79597 5.130686 17.42792       4.078557      17.42792       4.078557      17.42792       4.078557      40.79597 5.130686 40.79597 5.130686 0.000000       0.000000 
1 1 1 6  12 1  o 225.2692 2.281935 507.6057       10.28672      513.4150       15.56469      501.8672       13.46058      226.5455 3.435222 223.9928 3.004691 2.552704       4.563871 
1 1 1 6  12 2  o 204.6933 2.038587 419.1201       8.345562      425.1419       11.92324      413.0982       11.68237      206.1637 2.891693 203.2229 2.874275 2.940842       4.077173 
1 1 1 6  12 3  o 233.1268 2.333676 543.6659       10.88890      548.9084       16.54943      538.4233       14.15487      234.2454 3.532499 232.0081 3.050512 2.237320       4.667351 
1 1 1 6  12 4  o 126.1496 2.722412 159.2599       6.868440      155.5052       9.656199      162.9439       9.769550      124.6758 3.872524 127.6235 3.827488 -2.947784      5.444824 
1 1 1 6  12 5  o 306.4764 2.967524 939.4071       18.19304      953.5761       25.91516      925.9465       25.53260      308.7291 4.197072 304.2236 4.196354 4.505524       5.935049 
1 1 1 6  12 6  o 292.7374 3.184079 857.9351       18.59686      831.0139       27.82799      884.1478       24.68954      288.1912 4.828043 297.2837 4.152523 -9.092499      6.368159 
1 1 1 6  12 7  o 76.12004 3.269624 58.11430       4.939326      63.81734       6.699829      52.40418       7.261631      79.86990 4.194213 72.37018 5.017004 7.499725       6.539248 
1 1 1 6  12 8  o 393.1245 4.006854 1547.259       31.41275      1596.850       40.72181      1496.959       47.83466      399.4978 5.096625 386.7512 6.184166 12.74664       8.013707 
1 1 1 6  12 9  o 176.4815 2.590786 311.6479       9.188620      300.1710       10.78264      323.1248       14.89166      173.2374 3.112098 179.7255 4.142889 -6.488052      5.181572 
1 1 1 6  12 10 o 738.0109 6.283852 5455.788       92.73634      5477.749       131.4886      5434.534       130.8510      739.4716 8.890717 736.5501 8.882699 2.921509       12.56770 
1 1 1 6  12 11 o 379.0633 3.256983 1437.449       24.66121      1468.620       33.06344      1406.985       36.59862      383.1383 4.314819 374.9884 4.879967 8.149902       6.513966 
1 1 1 6  12 12 o 351.7191 2.850893 1237.665       20.05627      1266.003       28.98985      1209.327       27.73589      355.7449 4.074528 347.6934 3.988556 8.051514       5.701785 
1 1 1 6  12 13 o 582.6032 4.744435 3397.735       55.33009      3448.035       84.94337      3347.435       70.98687      586.8699 7.236984 578.3365 6.137160 8.533447       9.488871 
1 1 1 6  12 14 o 44.78645 3.759730 20.07752       3.367271      20.26172       4.738834      19.88624       4.785592      44.99621 5.265815 44.57669 5.367819 0.4195251      7.519461 
1 1 1 6  12 15 o 73.82655 6.352661 0.000000       0.000000      ?              ?             54.56496       9.379901      ?        ?        73.82655 6.352661 ?              ?        
1 1 1 6  12 16 o 755.8390 5.597132 5722.165       84.58914      5710.830       119.5158      5733.500       119.7992      755.0906 7.914005 756.5874 7.917076 -1.496765      11.19426 
1 1 1 6  12 17 o 327.9496 3.247416 1076.847       21.31731      1039.299       29.11028      1113.686       31.14354      322.2858 4.516222 333.6135 4.667608 -11.32767      6.494831 
1 1 1 6  12 18 o 228.7343 2.312785 523.4750       10.57718      532.6849       15.06877      514.1943       14.85623      230.7546 3.265107 226.7139 3.276428 4.040634       4.625570 
1 1 1 6  12 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 20 o 404.8247 3.793452 1640.774       30.79640      1662.736       52.53170      1619.521       32.17080      407.3681 6.447694 402.2813 3.998545 5.086823       7.586905 
1 1 1 6  12 21 o 54.67744 3.323876 29.93209       3.627982      29.63454       5.982167      30.22964       4.106186      54.39383 5.498940 54.96107 3.735541 -0.5672417     6.647752 
1 1 1 6  12 22 o 87.74833 2.301159 77.15040       4.075015      82.32210       6.607729      71.97870       4.770006      90.68328 3.643301 84.81338 2.812060 5.869904       4.602317 
1 1 1 6  12 23 o 66.49564 2.726595 44.30657       3.649944      46.21939       5.963747      42.38667       4.209620      67.91998 4.390275 65.07130 3.234622 2.848679       5.453191 
1 1 1 6  12 24 o 31.77644 4.613108 10.54176       2.856478      11.51943       4.497252      9.557014       3.523839      33.22320 6.988819 30.32969 6.023243 2.893509       9.226215 
1 1 1 6  12 25 o 350.1421 2.975489 1228.455       20.80723      1218.537       33.14846      1239.082       25.17129      348.5682 4.754946 351.7160 3.578355 -3.147797      5.950977 
1 1 1 6  12 26 f 285.5695 2.580532 816.8449       14.77122      829.5971       24.00943      804.8012       17.21538      287.6472 4.173417 283.4918 3.036310 4.155334       5.161064 
1 1 1 6  12 27 o 115.5039 1.908858 133.6140       4.419322      135.5268       7.091603      131.7012       5.271589      116.3075 3.048643 114.7004 2.297983 1.607178       3.817715 
1 1 1 6  12 28 o 147.2630 1.911090 217.3530       5.669031      227.4130       9.280719      207.2930       6.511380      150.6353 3.080527 143.8907 2.262614 6.744568       3.822181 
1 1 1 6  12 29 o 71.04727 2.067752 50.79599       2.963454      57.17206       4.645319      44.41284       3.681115      75.51840 3.075620 66.57614 2.764591 8.942261       4.135505 
1 1 1 6  12 30 o 66.18697 4.674829 44.54036       5.805054      38.51144       11.03768      50.57637       3.602477      61.32463 8.999384 71.04931 2.535195 -9.724678      9.349659 
1 1 1 6  12 31 o 104.7077 3.250698 110.5185       6.909530      115.2651       13.19846      105.7719       4.097685      106.6421 6.188205 102.7733 1.993556 3.868790       6.501395 
1 1 1 6  12 32 o 244.7358 3.146358 603.6718       15.57177      631.9390       27.38166      575.3337       14.84915      250.0277 5.475725 239.4439 3.100758 10.58385       6.292716 
1 1 1 6  12 33 o 104.5939 3.877789 110.8019       8.210957      116.6820       14.47367      104.9217       7.764632      107.0498 6.760251 102.1379 3.801053 4.911896       7.755578 
1 1 1 6  12 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 35 o 133.7398 3.991219 182.0013       10.68345      184.0558       16.66987      180.0176       13.36848      134.2372 6.209108 133.2424 5.016602 0.9947968      7.982438 
1 1 1 6  12 36 o 59.08263 6.600760 38.17138       7.764632      48.95402       12.59627      27.38166       9.089437      68.01466 9.259969 50.15059 9.409204 17.86408       13.20152 
1 1 1 6  12 37 o 115.8545 4.167531 138.5732       9.748297      152.3171       15.45842      124.7584       11.86657      121.3538 6.369155 110.3552 5.376534 10.99860       8.335062 
1 1 1 6  12 38 o 98.36652 4.513909 100.5293       8.883986      101.5211       13.90691      99.53748       11.05185      98.43797 7.063794 98.29507 5.621771 0.1428986      9.027818 
1 1 1 6  12 39 o 92.20308 4.767159 89.61916       8.706873      84.37660       13.53851      94.93254       10.95267      88.82831 7.620607 95.57786 5.729708 -6.749550      9.534318 
1 1 1 6  12 40 o 22.07479 7.176019 -3.976540      7.339560      -5.183033      11.68237      -2.770755      8.876901      23.04032 10.66984 21.10926 9.598725 1.931063       14.35204 
1 1 1 6  12 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  12 42 o 55.53899 6.235602 37.17955       6.696995      36.40025       10.35048      37.96593       8.501422      53.39194 10.06147 57.68604 7.368700 -4.294090      12.47120 
1 1 1 6  12 43 o 27.48862 7.372871 10.54176       5.622273      13.19846       8.855647      7.885069       6.926533      29.89911 11.10927 25.07814 9.696448 4.820963       14.74574 
1 1 1 6  12 44 o 25.43076 7.025695 8.806056       5.601020      4.619106       8.529759      13.00009       7.261631      21.94769 9.732694 28.91382 10.13490 -6.966131      14.05139 
1 1 1 6  13 0  o 613.8842 6.493150 3771.797       79.70082      3771.797       79.70082      3771.797       79.70082      613.8842 6.493150 613.8842 6.493150 -0.000000      0.000000 
1 1 1 6  13 1  o 592.1627 4.441333 3509.670       52.59546      3517.463       74.52913      3502.585       74.24575      592.7897 6.286304 591.5356 6.275678 1.254028       8.882667 
1 1 1 6  13 2  o 109.0746 2.247884 119.1616       4.880525      126.8129       6.527675      111.4395       7.254546      112.5996 2.898622 105.5496 3.436557 7.050011       4.495769 
1 1 1 6  13 3  o 498.0258 4.386961 2482.415       43.70439      2527.756       62.71924      2437.782       60.87726      502.5355 6.240280 493.5161 6.167708 9.019409       8.773923 
1 1 1 6  13 4  o 351.3020 3.291490 1234.832       23.13095      1256.085       33.03511      1213.578       32.37625      354.3252 4.661694 348.2787 4.648036 6.046448       6.582980 
1 1 1 6  13 5  f 562.9176 4.894541 3172.447       55.11754      3195.826       78.28393      3148.360       77.57547      565.0230 6.927499 560.8123 6.916350 4.210754       9.789083 
1 1 1 6  13 6  o 283.3306 2.832534 802.6758       16.05352      800.5505       22.46501      805.5097       22.93258      282.8940 3.970569 283.7672 4.040739 -0.8731995     5.665067 
1 1 1 6  13 7  o 978.7781 8.265762 9606.606       161.8104      9642.029       229.7509      9571.185       227.9089      980.5767 11.71509 976.9794 11.66396 3.597351       16.53152 
1 1 1 6  13 8  o 73.30553 2.779780 54.09738       4.011962      45.51094       5.891485      62.68381       5.446577      67.44800 4.367428 79.16306 3.440100 -11.71506      5.559561 
1 1 1 6  13 9  o 240.4308 2.944117 578.3800       14.19029      591.0613       22.16037      565.6987       17.72546      243.0570 4.558678 237.8046 3.726896 5.252350       5.888234 
1 1 1 6  13 10 o 193.4803 2.479635 374.5585       9.592437      386.9564       13.84315      362.1606       13.29764      196.6831 3.519150 190.2776 3.494274 6.405563       4.959270 
1 1 1 6  13 11 o 693.1208 5.962586 4811.805       82.67632      4860.688       118.0281      4762.213       115.7610      696.6627 8.470963 689.5789 8.393601 7.083740       11.92517 
1 1 1 6  13 12 o 435.0518 4.827483 1893.692       42.00410      1893.692       42.00410      ?              ?             435.0518 4.827483 ?        ?        ?              ?        
1 1 1 6  13 13 o 424.9219 3.635746 1806.552       30.89558      1810.094       40.37467      1803.718       46.77198      425.3197 4.746391 424.5241 5.508755 0.7955627      7.271493 
1 1 1 6  13 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 15 o 873.8163 6.966647 7651.279       121.8537      7587.519       157.7722      7722.125       185.6852      870.1420 9.065889 877.4905 10.58047 -7.348572      13.93329 
1 1 1 6  13 16 o 246.4246 2.530501 607.5682       12.47583      619.3994       17.76089      595.6663       17.51293      248.8317 3.568855 244.0175 3.588457 4.814224       5.061003 
1 1 1 6  13 17 o 189.2798 2.498634 358.4766       9.457831      366.6946       13.29056      350.2586       13.45350      191.4511 3.471004 187.1084 3.595109 4.342789       4.997267 
1 1 1 6  13 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 19 o 88.82481 2.490519 78.99238       4.426406      75.09589       6.087726      82.88886       6.427074      86.63286 3.513520 91.01676 3.530709 -4.383904      4.981038 
1 1 1 6  13 20 o 467.8888 3.904990 2192.658       36.51360      2165.029       54.53662      2220.288       48.56437      464.8947 5.865481 470.8830 5.156735 -5.988281      7.809980 
1 1 1 6  13 21 o 119.6579 1.937278 143.6032       4.666572      156.9221       7.261631      130.2134       5.864564      125.2313 2.899288 114.0844 2.570274 11.14686       3.874555 
1 1 1 6  13 22 o 318.6839 2.930736 1017.337       18.70313      1032.923       28.91900      1001.751       23.73314      321.0777 4.503428 316.2901 3.751799 4.787598       5.861472 
1 1 1 6  13 23 o 227.6495 2.566288 519.1535       11.60444      501.3713       19.30531      536.8647       12.87257      223.6910 4.315174 231.6080 2.778957 -7.916977      5.132575 
1 1 1 6  13 24 f 298.6278 2.691765 894.0662       15.99684      858.6436       25.07919      928.7803       19.85790      292.6958 4.284174 304.5598 3.260099 -11.86404      5.383530 
1 1 1 6  13 25 o 27.91011 5.043410 8.225125       2.867813      9.854564       4.581558      6.591435       3.449452      30.66190 7.518538 25.15833 6.724248 5.503561       10.08682 
1 1 1 6  13 26 o 149.0493 2.036309 222.5956       6.113231      232.2305       10.10961      212.9606       6.879775      152.2399 3.320287 145.8586 2.358371 6.381332       4.072618 
1 1 1 6  13 27 o 250.1092 2.422186 627.1924       12.11453      627.4757       19.57452      626.9090       14.28239      250.0654 3.913881 250.1530 2.854731 -0.8755493E-01 4.844373 
1 1 1 6  13 28 o 97.31134 3.473825 95.64099       6.429908      83.38477       11.83114      107.8264       5.031425      90.85608 6.510926 103.7666 2.424395 -12.91052      6.947651 
1 1 1 6  13 29 o 37.28828 3.382295 14.00609       2.530590      14.66495       3.864604      13.34723       3.266671      38.15065 5.064926 36.42592 4.483993 1.724735       6.764589 
1 1 1 6  13 30 o 88.23059 1.943191 78.07139       3.448035      83.17223       5.385650      73.04137       4.307387      91.07882 2.956588 85.38235 2.522411 5.696465       3.886382 
1 1 1 6  13 31 o 185.1241 2.905619 344.6618       10.77555      347.9207       19.65245      341.4738       8.855647      185.6395 5.293176 184.6087 2.398492 1.030823       5.811237 
1 1 1 6  13 32 o 43.75331 6.486468 19.83665       5.829141      17.25080       11.33523      22.41541       2.709120      40.23836 12.65247 47.26827 2.865685 -7.029907      12.97294 
1 1 1 6  13 33 o 46.15935 7.505445 21.67862       7.665448      14.96959       14.51618      28.39475       4.928699      39.29794 14.27319 53.02076 4.647895 -13.72283      15.01089 
1 1 1 6  13 34 o 68.75750 6.553148 50.83850       7.516674      36.70489       14.16195      64.97211       5.042760      57.12702 12.72546 80.38799 3.136513 -23.26097      13.10630 
1 1 1 6  13 35 o 198.8053 3.121453 399.9211       12.41208      402.8965       22.29498      396.9455       10.91724      198.8310 5.606514 198.7796 2.746068 0.5148315E-01  6.242907 
1 1 1 6  13 36 o 21.57442 6.979131 -7.892153      7.261631      -15.24588      11.82406      -0.5335351     8.423491      20.51087 9.862404 22.63796 9.877553 -2.127089      13.95826 
1 1 1 6  13 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  13 38 o 113.3706 4.298143 133.8974       9.790804      142.2571       15.31673      125.6085       12.21371      116.5211 6.572511 110.2201 5.540600 6.301033       8.596287 
1 1 1 6  13 39 o 143.5385 3.898299 215.1568       11.20062      218.8407       16.69112      211.4729       14.93416      144.4701 5.776670 142.6070 5.236126 1.863113       7.796597 
1 1 1 6  13 40 o 75.70798 6.576211 67.52254       9.089437      50.14421       13.72979      84.87252       11.92324      63.09398 11.28829 88.32197 6.749874 -25.22799      13.15242 
1 1 1 6  13 41 o 91.19307 4.734425 91.10690       8.636027      92.24043       13.10636      90.04422       11.24313      91.12939 7.191071 91.25674 6.160164 -0.1273422     9.468850 
1 1 1 6  13 42 o 28.95515 8.211443 10.92433       7.502505      2.809720       9.039845      19.04318       11.96575      22.99858 10.13176 34.91171 12.92512 -11.91313      16.42289 
1 1 1 6  13 43 o 27.01043 7.977389 10.76138       7.346645      3.693159       9.167366      17.83173       11.49109      22.39560 9.999962 31.62526 12.43204 -9.229656      15.95478 
1 1 1 6  13 44 o 45.43590 8.064388 35.02586       7.481250      32.42584       8.721042      37.61879       12.14995      47.12521 9.586127 43.74659 12.97088 3.378628       16.12878 
1 1 1 6  14 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 1  o 205.7805 3.046049 423.5833       12.53960      423.2291       17.76089      424.0084       17.69713      205.6857 4.317483 205.8753 4.298021 -0.1896210     6.092097 
1 1 1 6  14 2  o 301.5340 3.365704 909.6522       20.30423      912.4859       31.41984      906.8183       25.72388      301.9900 5.202131 301.0779 4.271965 0.9121094      6.731408 
1 1 1 6  14 3  o 245.5925 2.494771 603.3884       12.24205      593.0450       18.12928      613.6609       16.45733      243.4910 3.722783 247.6941 3.322109 -4.203125      4.989542 
1 1 1 6  14 4  o 183.5517 2.098755 336.9396       7.707955      335.0977       10.82514      338.8525       10.96683      183.0405 2.957035 184.0629 2.979099 -1.022400      4.197510 
1 1 1 6  14 5  o 465.7422 3.612929 2170.696       33.65146      2164.320       47.49461      2176.364       47.69297      465.0962 5.105891 466.3881 5.113013 -1.291931      7.225858 
1 1 1 6  14 6  o 33.78982 5.148677 11.96575       3.392067      9.450747       4.633275      14.48075       4.955620      30.14079 7.665980 37.43885 6.875192 -7.298056      10.29735 
1 1 1 6  14 7  f 450.7731 3.519472 2033.257       31.73155      2058.052       45.37634      2008.461       44.37033      453.5204 5.002678 448.0258 4.951762 5.494659       7.038944 
1 1 1 6  14 8  o 445.7300 3.487989 1987.916       31.09395      1984.373       43.93110      1991.458       44.01611      445.3329 4.932387 446.1272 4.933135 -0.7942200     6.975978 
1 1 1 6  14 9  o 600.1778 4.517653 3605.311       54.21782      3596.101       76.51279      3614.521       76.86702      599.4117 6.382323 600.9438 6.395525 -1.532104      9.035307 
1 1 1 6  14 10 o 480.3271 3.726941 2308.844       35.80515      2308.844       50.71806      2308.136       50.54803      480.3635 5.279134 480.2906 5.262234 0.7281494E-01  7.453883 
1 1 1 6  14 11 o 489.4294 4.089278 2397.401       40.02044      2392.442       60.52304      2402.360       52.38292      488.8936 6.189797 489.9651 5.345577 -1.071533      8.178556 
1 1 1 6  14 12 o 515.3847 4.592578 2659.528       47.34583      2697.784       68.11765      2621.272       65.77975      519.0854 6.561314 511.6840 6.427771 7.401398       9.185156 
1 1 1 6  14 13 f 544.6769 4.849225 2970.538       52.82216      2986.833       74.95419      2954.244       74.45828      546.1703 6.861796 543.1834 6.853880 2.986938       9.698450 
1 1 1 6  14 14 o 403.5093 3.837139 1629.439       30.96643      1635.815       43.81066      1623.063       43.77523      404.2992 5.418098 402.7193 5.434956 1.579895       7.674278 
1 1 1 6  14 15 o 50.34428 6.764663 28.30265       6.909530      10.04585       8.189702      46.55946       11.12978      32.52087 10.78886 68.16770 8.163527 -35.64683      13.52933 
1 1 1 6  14 16 o 368.9650 3.353407 1363.061       24.80290      1326.222       31.41984      1399.192       38.39100      364.0505 4.315313 373.8794 5.134142 -9.828888      6.706813 
1 1 1 6  14 17 o 149.9621 4.757135 225.7127       14.49492      245.4785       24.38491      206.0178       15.66387      156.4800 7.791704 143.4442 5.459917 13.03574       9.514270 
1 1 1 6  14 18 o 207.5359 2.251704 430.9512       9.344479      438.8150       13.23388      423.0874       13.19846      209.4304 3.159494 205.6415 3.209094 3.788864       4.503408 
1 1 1 6  14 19 o 262.2545 2.445039 688.1900       12.82298      693.2201       18.17179      683.1600       18.10094      263.2132 3.451915 261.2958 3.463688 1.917419       4.890077 
1 1 1 6  14 20 o 150.7393 2.387337 227.6256       7.183701      243.2823       10.08835      212.0396       10.22296      155.9216 3.235072 145.5570 3.511669 10.36464       4.774673 
1 1 1 6  14 21 o 167.6797 2.242538 281.4679       7.523758      279.6259       9.904156      283.2390       11.32814      167.1516 2.962627 168.2079 3.367305 -1.056290      4.485075 
1 1 1 6  14 22 o 124.4620 2.150471 155.1509       5.346686      161.1728       7.488335      149.0583       7.637110      126.8966 2.950567 122.0275 3.129259 4.869095       4.300942 
1 1 1 6  14 23 o 204.2078 2.355222 417.5615       9.627860      420.3245       15.10419      414.7986       11.93741      204.8533 3.686588 203.5624 2.932126 1.290909       4.710445 
1 1 1 6  14 24 o 65.58603 2.803683 43.24390       3.724331      48.03303       6.020423      38.44768       4.386024      69.21799 4.348886 61.95407 3.539739 7.263912       5.607367 
1 1 1 6  14 25 f 112.1596 2.171925 126.0336       4.881941      127.7339       7.913406      124.2624       5.719331      112.9061 3.504420 111.4131 2.566724 1.493027       4.343849 
1 1 1 6  14 26 o 287.9437 2.647382 831.7224       15.18921      808.3435       23.96692      855.1013       18.66062      283.7805 4.222792 292.1069 3.194142 -8.326416      5.294763 
1 1 1 6  14 27 o 48.52563 3.222335 23.66229       3.126397      23.57019       4.696327      23.75439       4.128149      48.41557 4.850018 48.63570 4.243949 -0.2201271     6.444670 
1 1 1 6  14 28 o 206.7770 2.947346 430.0302       11.93741      400.4170       20.94184      459.7144       11.46275      199.3540 5.252424 214.2000 2.675712 -14.84602      5.894692 
1 1 1 6  14 29 o 117.8144 2.025567 139.1399       4.775673      139.9901       7.559181      138.2898       5.839768      118.1391 3.199271 117.4897 2.485226 0.6494598      4.051134 
1 1 1 6  14 30 o 88.67381 2.063025 78.85069       3.647110      76.58364       5.618022      81.18858       4.653111      87.35052 3.215792 89.99710 2.585145 -2.646576      4.126050 
1 1 1 6  14 31 o 116.3039 1.913372 135.5977       4.444827      134.1099       6.947078      137.1563       5.545760      115.6145 3.004413 116.9932 2.370120 -1.378685      3.826744 
1 1 1 6  14 32 o 109.9358 1.913431 121.3578       4.236542      129.7175       6.704788      112.9981       5.180200      113.6969 2.948537 106.1748 2.439469 7.522110       3.826863 
1 1 1 6  14 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 34 o 52.62131 7.099935 29.91083       7.037052      17.28622       13.22680      42.52836       4.799760      40.27289 13.71101 64.96973 3.693844 -24.69684      14.19987 
1 1 1 6  14 35 o 50.48414 6.658333 27.36749       6.480917      25.19963       12.37665      29.54244       3.839809      46.84293 12.83555 54.12534 3.547145 -7.282413      13.31667 
1 1 1 6  14 36 o 115.6687 3.575160 137.4397       8.636027      157.7722       15.94017      117.1071       6.646695      123.5367 6.451593 107.8008 3.082860 15.73589       7.150321 
1 1 1 6  14 37 o 81.44386 5.425742 70.09422       8.827310      70.29967       13.61644      69.88168       11.25021      81.13695 8.391025 81.75077 6.880801 -0.6138229     10.85148 
1 1 1 6  14 38 o 142.2092 4.799721 213.1023       13.65895      209.9143       17.30748      216.2195       21.13312      141.8513 6.100569 142.5671 7.411636 -0.7158203     9.599442 
1 1 1 6  14 39 o 33.76730 9.288904 13.26222       9.039845      10.21588       11.83823      16.30148       13.67312      31.39369 12.53021 36.14092 13.71601 -4.747234      18.57781 
1 1 1 6  14 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  14 42 o 31.71115 8.050390 13.26930       7.948828      7.764632       13.61644      18.77397       8.196787      26.97684 12.11264 36.44547 10.60750 -9.468624      16.10078 
1 1 1 6  14 43 o 22.64919 7.170839 2.591516       7.615856      -1.577722      13.19137      6.760755       7.615856      21.89997 10.50270 23.39842 9.766114 -1.498455      14.34168 
1 1 1 6  15 0  o 1040.622 10.74895 10846.40       223.6582      10846.40       223.6582      10846.40       223.6582      1040.622 10.74895 1040.622 10.74895 -0.000000      0.000000 
1 1 1 6  15 1  o 310.5590 2.883725 964.9113       17.88841      982.6226       23.92442      947.2001       26.60945      313.4167 3.816711 307.7013 4.323909 5.715363       5.767449 
1 1 1 6  15 2  o 1174.448 9.905816 13857.32       232.7264      13545.60       321.9205      14169.04       336.2312      1161.292 13.86045 1187.603 14.15588 -26.31116      19.81163 
1 1 1 6  15 3  o 473.3956 4.258362 2243.667       40.35341      2323.013       59.11322      2164.320       54.94043      481.7613 6.135116 465.0299 5.907194 16.73132       8.516724 
1 1 1 6  15 4  o 511.5082 4.555221 2619.146       46.60196      2589.391       65.43969      2648.901       66.36776      508.6034 6.433274 514.4131 6.450823 -5.809784      9.110441 
1 1 1 6  15 5  o 306.3078 3.108285 938.6987       19.04318      945.7831       27.38166      931.6141       26.47484      307.4618 4.452856 305.1538 4.337951 2.308014       6.216570 
1 1 1 6  15 6  o 295.0997 2.864614 871.3957       16.96033      899.7338       26.40400      843.0576       21.28897      299.8893 4.402290 290.3100 3.666593 9.579315       5.729229 
1 1 1 6  15 7  o 509.7363 3.926380 2600.018       40.02753      2613.479       56.93119      2586.557       56.28649      511.0547 5.569970 508.4178 5.535457 2.636871       7.852760 
1 1 1 6  15 8  o 297.0334 2.825935 882.7309       16.76197      860.0605       24.85249      905.4014       22.50043      293.2124 4.237967 300.8545 3.739420 -7.642151      5.651870 
1 1 1 6  15 9  o 211.0535 2.263821 445.5453       9.557014      445.8995       13.58811      445.1911       13.43933      211.1371 3.217839 210.9699 3.185130 0.1672516      4.527642 
1 1 1 6  15 10 o 284.1272 2.760968 807.6351       15.65678      842.3492       21.43067      773.6293       22.83340      290.1776 3.692681 278.0768 4.105592 12.10074       5.521936 
1 1 1 6  15 11 o 283.8219 2.632525 805.5097       14.94833      803.3843       21.09769      808.3435       21.16854      283.3853 3.722440 284.2585 3.723466 -0.8732605     5.265051 
1 1 1 6  15 12 o 163.6387 2.765276 267.9365       9.068183      272.1872       14.25405      263.6149       11.20771      164.9405 4.320966 162.3368 3.451992 2.603714       5.530551 
1 1 1 6  15 13 o 403.4127 3.330144 1628.022       26.87158      1637.232       38.14305      1619.521       37.85258      404.5094 4.714729 402.3160 4.704334 2.193390       6.660288 
1 1 1 6  15 14 o 230.8346 2.816932 533.1100       13.00717      533.9601       19.63120      532.2598       17.06660      231.0108 4.248979 230.6584 3.699541 0.3523865      5.633864 
1 1 1 6  15 15 o 339.0099 4.225516 1153.359       28.83399      1261.753       44.84500      1044.966       36.27273      354.9491 6.317103 323.0707 5.613745 31.87839       8.451032 
1 1 1 6  15 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 17 o 114.6004 2.937750 131.4178       6.726750      134.2516       9.167366      128.6548       9.847479      115.8246 3.957434 113.3762 4.342835 2.448471       5.875500 
1 1 1 6  15 18 o 69.35451 3.527500 48.27390       4.941452      43.59104       5.950287      52.95677       7.892153      65.99043 4.508447 72.71858 5.426504 -6.728157      7.055001 
1 1 1 6  15 19 o 215.5995 2.502119 465.2403       10.79680      463.2566       13.85023      467.1531       16.55652      215.1629 3.218545 216.0361 3.831887 -0.8731842     5.004238 
1 1 1 6  15 20 f 341.7944 3.131702 1170.362       21.38816      1182.406       27.99801      1158.319       32.34791      343.6002 4.074214 339.9886 4.757205 3.611603       6.263403 
1 1 1 6  15 21 o 85.15375 3.465616 73.60814       5.563472      90.25676       6.310889      57.00203       9.167366      94.95003 3.323268 75.35747 6.082586 19.59256       6.931231 
1 1 1 6  15 22 o 476.1448 3.733063 2274.839       35.55011      2251.460       49.70498      2297.509       50.84558      473.7444 5.245971 478.5453 5.312516 -4.800903      7.466126 
1 1 1 6  15 23 o 218.8579 2.443122 479.7636       10.68345      487.2731       14.06277      472.2540       16.08185      220.5963 3.187445 217.1196 3.703456 3.476700       4.886245 
1 1 1 6  15 24 o 114.9066 2.368538 132.4096       5.378566      123.4832       8.678535      141.3361       6.356938      110.9933 3.909487 118.8198 2.675032 -7.826576      4.737076 
1 1 1 6  15 25 o 138.7613 2.181787 192.9114       6.056554      193.4073       9.748297      192.4155       7.190785      138.9012 3.509075 138.6214 2.593679 0.2798767      4.363574 
1 1 1 6  15 26 o 144.4105 2.150453 208.9933       6.204620      207.7180       9.975000      210.2685       7.382068      143.9238 3.465376 144.8973 2.547345 -0.9734802     4.300907 
1 1 1 6  15 27 o 77.64140 2.493308 60.71431       3.923406      68.37268       6.324349      53.05595       4.643901      82.53611 3.831262 72.74670 3.191829 9.789406       4.986616 
1 1 1 6  15 28 o 91.33349 2.339476 83.80984       4.310221      88.98154       7.012255      78.56730       5.014421      94.13491 3.724577 88.53207 2.831980 5.602844       4.678952 
1 1 1 6  15 29 o 118.7546 2.133698 141.5487       5.105812      149.4125       8.239295      133.6848       6.028216      122.0125 3.376414 115.4967 2.609693 6.515869       4.267396 
1 1 1 6  15 30 o 46.10178 3.338766 21.45900       3.084599      23.34349       4.598560      19.56744       4.112563      48.13007 4.777222 44.07348 4.665576 4.056591       6.677533 
1 1 1 6  15 31 o 102.8374 2.110440 106.1261       4.341393      106.2678       6.784134      105.9844       5.417531      102.8664 3.297545 102.8084 2.634770 0.5802917E-01  4.220879 
1 1 1 6  15 32 o 212.3950 3.340981 457.6599       14.70746      509.9436       27.21872      405.3761       11.13686      223.8238 6.080389 200.9662 2.770830 22.85767       6.681963 
1 1 1 6  15 33 o 148.1583 2.015522 220.6827       6.016881      233.6474       9.684536      207.7180       7.141194      152.4347 3.176618 143.8819 2.481617 8.552841       4.031045 
1 1 1 6  15 34 o 122.9833 3.599993 153.8049       8.551013      142.2571       16.06060      165.2818       5.864564      117.6091 6.827960 128.3576 2.284463 -10.74850      7.199986 
1 1 1 6  15 35 o 106.9436 3.912020 116.9654       8.423491      121.2161       15.26005      112.7147       7.155363      108.1592 7.054441 105.7281 3.383853 2.431129       7.824040 
1 1 1 6  15 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  15 37 o 51.11365 10.43278 32.85799       12.05785      25.76639       19.36907      39.94251       14.36032      44.73066 16.46359 57.49663 12.81882 -12.76596      20.86557 
1 1 1 6  15 38 o 35.29129 9.586514 16.45733       10.32214      32.29832       18.57561      0.6165656      9.011506      47.31976 16.24551 23.26283 10.18275 24.05692       19.17303 
1 1 1 6  15 39 f 75.85088 7.213674 68.34435       11.40607      85.58098       19.99959      51.10062       10.98809      83.60772 11.96038 68.09402 8.068319 15.51369       14.42735 
1 1 1 6  15 40 f 73.64526 7.731698 68.67023       10.81097      70.62556       18.46225      66.71490       11.24313      70.20252 13.63589 77.08801 7.292399 -6.885483      15.46340 
1 1 1 6  15 41 o 28.83362 7.367126 8.947746       6.259880      0.9833311      9.351563      16.91074       8.317224      22.35845 10.03853 35.30880 10.78546 -12.95035      14.73425 
1 1 1 6  15 42 o 16.78860 5.674240 -10.24421      5.874482      -20.63012      8.990252      0.1468620      7.559181      14.10401 7.096988 19.47318 8.855551 -5.369174      11.34848 
1 1 1 6  15 43 o 27.72412 6.537198 8.416408       5.827016      -6.468165      8.317224      23.30098       8.168448      16.53922 8.022110 38.90903 10.32403 -22.36982      13.07440 
1 1 1 6  16 0  f 805.8199 8.433303 6500.753       135.8811      6500.753       135.8811      6500.753       135.8811      805.8199 8.433303 805.8199 8.433303 0.000000       0.000000 
1 1 1 6  16 1  o 172.5763 2.428964 298.3290       8.437660      274.9501       10.55593      321.7788       13.16303      165.7975 3.183380 179.3551 3.669545 -13.55757      4.857929 
1 1 1 6  16 2  o 479.9246 3.744729 2304.594       35.95393      2354.185       51.83033      2255.711       49.83958      485.0486 5.342798 474.8007 5.248474 10.24783       7.489457 
1 1 1 6  16 3  o 120.2526 2.405811 144.6659       5.785926      148.3498       8.274716      140.9819       8.090520      121.7840 3.397291 118.7212 3.407361 3.062836       4.811621 
1 1 1 6  16 4  o 384.3901 3.151206 1477.830       24.22905      1488.457       34.50869      1467.912       34.01277      385.7252 4.473222 383.0551 4.439671 2.670135       6.302412 
1 1 1 6  16 5  o 508.1756 4.241969 2584.432       43.08804      2607.103       57.06579      2561.762       64.57539      510.4299 5.589973 505.9214 6.381958 4.508484       8.483937 
1 1 1 6  16 6  f 443.7413 4.077728 1970.913       36.19481      1979.414       51.68156      1961.703       50.67556      444.7359 5.810365 442.7468 5.722860 1.989136       8.155457 
1 1 1 6  16 7  o 410.7661 3.836147 1688.241       31.51902      1704.535       45.28424      1672.655       43.85316      412.7014 5.486320 408.8307 5.363243 3.870636       7.672293 
1 1 1 6  16 8  o 78.45676 3.703089 61.84784       5.744127      54.05487       8.473083      69.64081       7.757547      73.48775 5.764964 83.42576 4.649372 -9.938011      7.406178 
1 1 1 6  16 9  o 468.3415 4.287009 2195.492       40.16213      2230.915       58.03637      2160.778       55.54262      472.0748 6.146947 464.6083 5.977360 7.466492       8.574018 
1 1 1 6  16 10 f 349.0200 3.289084 1218.537       22.98217      1232.706       35.36591      1205.076       29.35824      350.9806 5.038158 347.0595 4.229569 3.921082       6.578168 
1 1 1 6  16 11 o 253.0269 3.062530 640.5821       15.49384      629.6719       22.37999      651.4922       21.42358      250.8683 4.460505 255.1855 4.197649 -4.317184      6.125060 
1 1 1 6  16 12 o 51.35951 6.402291 28.12554       6.284676      16.20938       8.373900      40.03461       9.372816      39.49510 10.44096 63.22393 7.412397 -23.72882      12.80458 
1 1 1 6  16 13 o 226.9303 2.567901 515.2570       11.65403      521.2080       16.56360      509.2351       16.40066      228.2488 3.628410 225.6118 3.634708 2.636993       5.135802 
1 1 1 6  16 14 o 279.4451 2.900467 781.4223       16.22355      773.6293       20.73638      789.2153       24.95876      278.0674 3.728662 280.8228 4.443862 -2.755432      5.800933 
1 1 1 6  16 15 o 184.2866 2.646316 339.9152       9.783719      328.7924       12.14995      351.0379       15.34507      181.2818 3.351122 187.2913 4.096577 -6.009476      5.292633 
1 1 1 6  16 16 o 142.0833 2.323609 201.9796       6.604187      201.2712       9.202788      202.6881       9.472000      141.8350 3.244188 142.3315 3.327442 -0.4965363     4.647217 
1 1 1 6  16 17 o 194.2810 2.494604 378.0298       9.741212      400.7712       15.18921      355.2886       12.20662      200.1205 3.795015 188.4415 3.238837 11.67902       4.989209 
1 1 1 6  16 18 o 313.7799 2.998492 986.1649       18.79523      967.7452       28.16096      1003.876       24.89499      310.8788 4.529251 316.6810 3.930611 -5.802246      5.996984 
1 1 1 6  16 19 o 209.4600 2.524230 439.3109       10.59135      449.8669       16.25897      428.7550       13.58811      211.9580 3.835423 206.9619 3.282754 4.996033       5.048460 
1 1 1 6  16 20 o 173.9762 2.651600 303.0757       9.224042      301.8713       12.77339      304.3509       13.31889      173.6251 3.678439 174.3273 3.820082 -0.7022552     5.303201 
1 1 1 6  16 21 o 136.0852 2.608926 185.5435       7.091603      190.2193       9.415324      180.7969       10.59844      137.8285 3.415593 134.3418 3.944579 3.486710       5.217852 
1 1 1 6  16 22 o 148.4824 3.011462 221.3912       8.855647      239.5984       11.37774      203.1131       13.57394      154.6551 3.678422 142.3097 4.769154 12.34543       6.022924 
1 1 1 6  16 23 o 235.5912 2.593931 556.1346       12.22079      557.6224       15.67804      554.6469       18.74563      235.9483 3.322346 235.2342 3.984462 0.7141724      5.187863 
1 1 1 6  16 24 o 93.09991 2.886856 87.28126       5.443744      76.58364       6.469582      97.97889       8.756464      87.39890 3.701180 98.80093 4.431367 -11.40202      5.773712 
1 1 1 6  16 25 o 88.44342 2.578408 78.56730       4.531257      85.36844       6.130942      71.83701       6.674324      92.27946 3.321943 84.60737 3.944293 7.672096       5.156816 
1 1 1 6  16 26 o 64.15259 3.271953 41.36650       4.194743      41.26023       6.945662      41.47277       4.704828      64.00883 5.425549 64.29634 3.658706 -0.2875061     6.543907 
1 1 1 6  16 27 o 76.69707 2.726124 59.12030       4.147277      55.98895       6.598520      62.25166       5.025757      74.61197 4.421891 78.78218 3.189654 -4.170212      5.452249 
1 1 1 6  16 28 o 272.5659 2.636423 745.9998       14.34615      736.7899       22.85465      755.2096       17.34290      270.7261 4.220993 274.4057 3.160084 -3.679596      5.272847 
1 1 1 6  16 29 o 97.26845 2.378273 95.00338       4.637525      97.27043       7.311223      92.73634       5.710830      98.38658 3.715559 96.15031 2.969740 2.236267       4.756546 
1 1 1 6  16 30 o 175.6538 2.283540 309.8059       8.012589      306.1220       12.44750      313.4899       10.08835      174.5314 3.565977 176.7762 2.853426 -2.244766      4.567081 
1 1 1 6  16 31 o 19.57008 5.494230 1.414070       3.417571      4.862104       5.089518      -2.033965      4.562429      23.52285 8.460533 15.61732 7.011821 7.905531       10.98846 
1 1 1 6  16 32 o 39.72535 5.276624 16.71238       4.055887      20.08461       5.567014      13.34723       5.899987      44.31520 6.281157 35.13550 8.480454 9.179699       10.55325 
1 1 1 6  16 33 o 107.9620 2.212007 117.4613       4.814638      127.6630       7.601687      107.1888       5.909905      112.6288 3.374664 103.2951 2.860689 9.333672       4.424014 
1 1 1 6  16 34 o 142.7713 2.034270 205.0260       5.815681      207.1513       9.401155      202.8297       6.851437      143.4047 3.277842 142.1379 2.410137 1.266769       4.068539 
1 1 1 6  16 35 o 29.99844 8.522751 8.026759       9.301972      10.70471       18.12928      5.345269       4.145860      36.96735 15.21921 23.02953 7.676242 13.93782       17.04550 
1 1 1 6  16 36 o 123.6944 3.666995 157.2763       9.266549      169.0366       17.38541      145.4451       6.397319      127.1959 6.834109 120.1930 2.661269 7.002823       7.333989 
1 1 1 6  16 37 o 68.83228 2.787192 0.000000       0.000000      ?              ?             47.80632       3.836974      ?        ?        68.83228 2.787192 ?              ?        
1 1 1 6  16 38 f 23.52625 7.533710 -1.516795      7.658363      4.424990       12.44041      -7.459997      8.947746      28.10825 12.13079 18.94424 8.937063 9.164013       15.06742 
1 1 1 6  16 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  16 41 o 102.8916 4.310866 118.1698       8.891070      128.5132       13.34015      107.8264       11.76738      107.1831 6.223066 98.60020 5.967221 8.582886       8.621733 
1 1 1 6  16 42 o 19.53537 6.575651 -1.322680      6.848603      2.714787       11.57610      -5.360855      7.325392      22.77234 10.57464 16.29841 7.818802 6.473928       13.15130 
1 1 1 6  17 0  o 206.7647 3.328933 427.9049       13.75813      427.9049       13.75813      427.9049       13.75813      206.7647 3.328933 206.7647 3.328933 0.000000       0.000000 
1 1 1 6  17 1  o 452.5778 3.590443 2049.551       32.49669      2038.216       45.75182      2060.886       46.16980      451.3268 5.068592 453.8288 5.086699 -2.502014      7.180886 
1 1 1 6  17 2  f 324.1187 2.836095 1050.634       18.38432      1064.095       26.24814      1037.882       25.75222      326.1393 4.024068 322.0981 3.997575 4.041229       5.672189 
1 1 1 6  17 3  o 477.4830 3.758052 2281.923       35.89017      2285.465       50.82433      2277.673       50.68264      477.8906 5.317570 477.0755 5.311806 0.8150940      7.516105 
1 1 1 6  17 4  o 495.5406 3.877630 2457.619       38.43351      2456.911       54.34534      2458.328       54.35242      495.4692 5.484230 495.6121 5.483363 -0.1428528     7.755260 
1 1 1 6  17 5  o 161.9749 2.357449 262.4814       7.637110      260.1435       10.73304      264.7484       10.86765      161.2644 3.327778 162.6853 3.340084 -1.420868      4.714899 
1 1 1 6  17 6  o 550.6567 4.246612 3035.716       46.77198      3056.969       66.59447      3013.754       65.68765      552.6148 6.025397 548.6985 5.985769 3.916260       8.493223 
1 1 1 6  17 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 8  o 218.3250 2.558385 476.8589       11.17229      475.0169       15.74180      478.6300       15.85515      217.9115 3.611970 218.7385 3.624225 -0.8269196     5.116770 
1 1 1 6  17 9  o 324.3444 3.380314 1052.759       21.93367      1077.555       31.64654      1027.964       30.37841      328.1630 4.821773 320.5258 4.738840 7.637115       6.760628 
1 1 1 6  17 10 o 306.9682 3.432241 942.9493       21.08352      954.9930       30.80348      930.9057       28.78440      308.9232 4.985622 305.0133 4.718548 3.909851       6.864483 
1 1 1 6  17 11 o 364.1572 4.141788 1327.639       30.13046      1345.350       39.15613      1309.927       45.80849      366.6205 5.340144 361.6939 6.332494 4.926605       8.283575 
1 1 1 6  17 12 o 254.2662 3.088980 647.0998       15.72054      662.7567       23.13095      631.3722       21.29606      257.3445 4.494160 251.1878 4.239071 6.156738       6.177961 
1 1 1 6  17 13 o 345.7159 4.009651 1196.575       27.79965      1224.205       43.98777      1169.654       33.99860      349.6029 6.291105 341.8288 4.973045 7.774109       8.019301 
1 1 1 6  17 14 o 123.2409 3.435188 152.3880       8.522675      138.0064       10.73304      166.7695       13.24096      117.4201 4.570361 129.0617 5.129703 -11.64159      6.870375 
1 1 1 6  17 15 o 206.3733 2.621105 426.2046       10.83223      433.0766       16.69821      419.3326       13.80772      208.0256 4.013499 204.7210 3.372327 3.304581       5.242210 
1 1 1 6  17 16 o 83.78084 3.002344 70.24300       5.032133      69.46369       6.886859      71.05771       7.339560      83.30770 4.133387 84.25397 4.355617 -0.9462738     6.004689 
1 1 1 6  17 17 f 447.3108 3.848726 2005.627       34.49452      2051.677       52.77966      1958.869       44.41993      452.4187 5.833055 442.2029 5.022573 10.21579       7.697453 
1 1 1 6  17 18 o 125.1829 2.405516 156.9221       6.023965      154.4425       8.203872      159.3308       8.827310      124.2116 3.302376 126.1542 3.498619 -1.942558      4.811031 
1 1 1 6  17 19 o 56.22926 3.870397 31.79531       4.310929      35.02586       5.751212      28.56478       6.424241      59.11122 4.864738 53.34731 6.021148 5.763912       7.740795 
1 1 1 6  17 20 o 161.4797 2.286430 261.2062       7.382068      273.2498       10.54885      249.1625       10.32923      165.2068 3.192619 157.7525 3.273871 7.454285       4.572860 
1 1 1 6  17 21 o 187.1040 2.763297 350.8961       10.39299      362.3022       16.97450      339.4193       11.99409      190.0998 4.464630 184.1082 3.257347 5.991547       5.526593 
1 1 1 6  17 22 o 276.9698 2.841460 769.3787       15.77014      786.3815       24.25739      751.6674       20.15545      280.0434 4.331005 273.8961 3.679397 6.147278       5.682919 
1 1 1 6  17 23 o 72.74628 3.366660 53.17639       4.900361      55.93227       7.141194      50.42051       6.714706      74.63112 4.784328 70.86144 4.737913 3.769676       6.733321 
1 1 1 6  17 24 o 181.0387 2.912818 329.0758       10.48509      342.1822       12.66712      316.0403       16.70529      184.7399 3.428365 177.3375 4.710028 7.402420       5.825636 
1 1 1 6  17 25 o 314.3181 3.054951 992.5410       19.25572      963.4944       24.25739      1021.588       29.91083      309.8414 3.914485 318.7947 4.691238 -8.953247      6.109902 
1 1 1 6  17 26 o 131.4361 2.553151 173.4290       6.712580      172.8622       8.359732      173.9249       10.50634      131.2885 3.183725 131.5836 3.992269 -0.2950287     5.106301 
1 1 1 6  17 27 o 118.0016 2.473774 139.8484       5.870940      147.3580       9.294888      132.3388       7.176617      121.1292 3.836765 114.8739 3.123693 6.255295       4.947547 
1 1 1 6  17 28 o 120.8298 2.597450 146.7204       6.251379      143.3906       10.13795      150.0501       7.318307      119.3606 4.246770 122.2989 2.991976 -2.938225      5.194900 
1 1 1 6  17 29 o 151.1999 2.937828 0.000000       0.000000      ?              ?             229.3258       8.883986      ?        ?        151.1999 2.937828 ?              ?        
1 1 1 6  17 30 o 43.10777 4.486988 18.96525       3.919864      21.50151       6.307346      16.42900       4.655945      45.94638 6.863811 40.26915 5.781033 5.677238       8.973976 
1 1 1 6  17 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 32 o 110.3143 2.402969 122.4913       5.301345      122.4913       8.317224      122.4205       6.574432      110.2505 3.771966 110.3782 2.978140 -0.1276474     4.805939 
1 1 1 6  17 33 o 64.91679 2.834484 42.61337       3.693159      45.20631       5.623690      40.02044       4.787717      66.86061 4.205533 62.97297 3.801407 3.887642       5.668968 
1 1 1 6  17 34 f 52.45154 3.130436 29.04653       3.178115      40.38884       4.823140      17.70421       4.139484      63.20913 3.815224 41.69395 4.964130 21.51517       6.260872 
1 1 1 6  17 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  17 36 f 20.33516 6.505587 -2.908903      6.434159      -6.962664      12.20662      1.144858       4.077848      23.35072 10.84923 17.31959 7.182268 6.031126       13.01117 
1 1 1 6  17 37 o 64.28017 7.593256 48.29516       9.202788      49.78999       17.90258      46.79324       4.264171      60.63498 14.85859 67.92535 3.138866 -7.290363      15.18651 
1 1 1 6  17 38 o 37.19998 6.763649 7.885069       9.521592      -6.525549      18.73146      22.30206       3.414029      27.69045 13.02429 46.70950 3.654534 -19.01904      13.52730 
1 1 1 6  17 39 o 125.2674 5.695163 179.4508       13.75813      159.9684       22.35165      198.8624       16.04643      114.7743 9.737221 135.7606 5.909829 -20.98625      11.39033 
1 1 1 6  17 40 o 66.29491 8.222949 59.31159       10.64095      65.36884       15.35923      53.24723       14.72871      70.92319 10.82808 61.66664 12.37822 9.256546       16.44590 
1 1 1 6  17 41 o 22.30177 7.438537 -0.7934660     8.579351      3.678990       13.21263      -5.265922      10.95267      24.56604 11.36520 20.03751 9.599982 4.528528       14.87707 
1 1 1 6  17 42 o 25.51406 7.798236 10.66928       7.318307      8.359732       9.124859      12.97175       11.44858      24.19920 10.41584 26.82891 11.60863 -2.629711      15.59647 
1 1 1 6  18 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  18 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  18 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  18 3  o 182.4002 2.613814 332.8307       9.535762      340.5528       13.70146      325.1794       13.26930      184.5063 3.713006 180.2942 3.679902 4.212021       5.227628 
1 1 1 6  18 4  o 88.50282 3.623932 78.42561       6.416448      76.79617       8.961915      79.98421       9.181536      87.60303 5.115071 89.40263 5.134936 -1.799599      7.247863 
1 1 1 6  18 5  o 276.1043 2.777318 763.0026       15.33798      767.2533       21.86991      758.0435       21.50859      276.9373 3.948530 275.2713 3.906799 1.665985       5.554635 
1 1 1 6  18 6  o 428.4980 3.548662 1837.724       30.42800      1893.692       44.17905      1781.756       41.84825      435.0211 5.077806 421.9748 4.958619 13.04633       7.097324 
1 1 1 6  18 7  o 327.0915 3.048882 1070.471       19.94292      1085.348       28.42308      1055.593       27.99093      329.3645 4.314837 324.8185 4.308702 4.545959       6.097765 
1 1 1 6  18 8  o 283.0572 2.898535 801.9674       16.40774      805.5097       23.15220      797.7167       23.25847      283.7458 4.079744 282.3686 4.118460 1.377228       5.797070 
1 1 1 6  18 9  o 167.8300 2.776044 281.8929       9.316141      293.2990       13.28347      270.5577       13.06385      171.2168 3.879138 164.4431 3.972149 6.773666       5.552088 
1 1 1 6  18 10 o 181.2948 2.587310 328.8633       9.379901      334.3184       13.26222      323.4082       13.26930      182.7993 3.627535 179.7903 3.690216 3.009003       5.174621 
1 1 1 6  18 11 o 224.6121 3.016012 504.9136       13.55268      507.2515       19.78706      502.5049       18.51893      225.1350 4.394488 224.0892 4.132044 1.045761       6.032023 
1 1 1 6  18 12 o 84.19107 3.355599 70.98687       5.652737      69.03154       7.750463      72.89968       8.232210      83.04499 4.666424 85.33714 4.823345 -2.292152      6.711197 
1 1 1 6  18 13 o 107.5168 3.218401 115.9027       6.916615      106.4803       9.528677      125.3251       10.03168      103.1377 4.619396 111.8960 4.482590 -8.758301      6.436803 
1 1 1 6  18 14 o 209.0370 2.598285 437.7523       10.81806      468.4283       14.84206      407.1472       15.74888      216.3700 3.429787 201.7040 3.903959 14.66602       5.196569 
1 1 1 6  18 15 o 37.03313 7.146961 14.23988       5.445160      14.70746       8.005506      13.77939       7.382068      37.64494 10.32650 36.42131 9.883298 1.223629       14.29392 
1 1 1 6  18 16 o 184.8647 2.768828 342.1822       10.23713      336.6563       14.59411      347.7081       14.35323      183.3682 3.979454 186.3611 3.850920 -2.992874      5.537657 
1 1 1 6  18 17 o 203.2519 2.795554 413.7359       11.36357      412.0356       16.33690      415.4361       15.79847      202.8285 4.027269 203.6752 3.878349 -0.8467560     5.591108 
1 1 1 6  18 18 o 74.62282 3.645636 55.86851       5.455787      58.23474       8.352647      53.49519       7.025008      76.19289 5.481250 73.05275 4.808175 3.140144       7.291272 
1 1 1 6  18 19 o 211.5979 2.642832 448.5208       11.20771      458.7934       17.35707      438.2483       14.18321      213.9910 4.055560 209.2047 3.389791 4.786301       5.285664 
1 1 1 6  18 20 o 97.73834 2.982203 95.78268       5.829850      95.57014       7.849646      95.92437       8.621859      97.65823 4.018937 97.81846 4.407072 -0.1602249     5.964406 
1 1 1 6  18 21 o 110.0579 2.734587 121.4286       6.040968      117.2488       7.481250      125.6085       9.486169      108.1872 3.457550 111.9287 4.237595 -3.741524      5.469173 
1 1 1 6  18 22 o 115.4162 2.695559 133.6848       6.184784      140.5568       7.842561      126.7420       9.564099      118.4382 3.310825 112.3941 4.254714 6.044052       5.391119 
1 1 1 6  18 23 o 30.69737 6.643937 9.287803       4.735292      4.386024       6.536176      14.18321       6.853562      24.78458 9.460630 36.61016 9.330812 -11.82558      13.28787 
1 1 1 6  18 24 o 193.1272 3.254222 375.1252       12.58919      396.9455       18.58978      353.3758       16.97450      198.7235 4.677297 187.5310 4.525786 11.19247       6.508444 
1 1 1 6  18 25 o 162.5890 4.793048 0.000000       0.000000      ?              ?             266.0237       15.58594      ?        ?        162.5890 4.793048 ?              ?        
1 1 1 6  18 26 f 44.92612 6.295978 21.15437       5.447994      26.24105       5.904946      16.06769       9.160281      50.97322 5.792204 38.87902 11.18069 12.09420       12.59196 
1 1 1 6  18 27 o 151.3212 2.675473 230.3177       8.069265      244.4159       10.95975      216.2195       11.83823      156.0079 3.512561 146.6344 4.036648 9.373535       5.350945 
1 1 1 6  18 28 o 118.6694 2.605812 141.4778       6.181951      140.9819       9.592437      141.9737       7.800055      118.4044 4.050711 118.9345 3.279140 -0.5300903     5.211623 
1 1 1 6  18 29 o 48.39209 4.303120 23.93859       4.186950      28.11845       6.460372      19.76581       5.327558      52.63954 6.136425 44.14465 6.034205 8.494888       8.606239 
1 1 1 6  18 30 o 51.21625 5.010764 29.26614       4.849352      44.36325       7.828392      14.16904       5.726415      66.04551 5.926514 36.38699 8.081302 29.65852       10.02153 
1 1 1 6  18 31 f 179.8489 2.460788 325.8170       8.784801      307.6097       13.71563      344.0950       10.98100      174.6480 3.926650 185.0498 2.967040 -10.40187      4.921575 
1 1 1 6  18 32 o 101.6324 2.549527 104.0716       5.164613      101.3086       8.005506      106.9054       6.531217      100.1772 3.995671 103.0876 3.167800 -2.910362      5.099053 
1 1 1 6  18 33 o 120.4212 2.312873 146.1536       5.592519      150.9002       8.933578      141.4070       6.728875      122.2652 3.653361 118.5773 2.837338 3.687920       4.625747 
1 1 1 6  18 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  18 35 o 117.0230 2.203403 138.3606       5.184450      146.5078       8.097604      130.2134       6.473125      120.3813 3.363315 113.6647 2.847465 6.716629       4.406806 
1 1 1 6  18 36 o 24.35628 4.881361 6.457538       2.492333      5.727833       3.395609      7.190785       3.649944      23.07264 6.860396 25.63992 6.945911 -2.567272      9.762721 
1 1 1 6  18 37 o 53.52720 8.789033 35.53594       10.19462      30.25797       18.49059      40.82099       8.579351      45.35324 16.14476 61.70116 6.952343 -16.34792      17.57807 
1 1 1 6  18 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  18 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  18 40 o 80.73691 5.000528 75.59180       8.111773      84.73083       12.34123      66.45277       10.52051      85.39783 7.225728 76.07598 6.914475 9.321846       10.00106 
1 1 1 6  18 41 o 29.56401 7.996027 14.61536       6.808222      21.04102       10.47092      8.182618       8.699788      34.38676 12.15843 24.74126 10.38838 9.645502       15.99205 
1 1 1 6  19 0  o 70.92146 7.585278 52.04287       10.54176      52.04287       10.54176      52.04287       10.54176      70.92146 7.585278 70.92146 7.585278 0.000000       0.000000 
1 1 1 6  19 1  f 443.4075 3.943274 1968.079       34.97626      1962.411       45.90767      1973.038       52.77966      442.8337 5.183399 443.9813 5.943905 -1.147614      7.886548 
1 1 1 6  19 2  o 286.2868 2.935718 819.6788       16.81156      833.1393       24.01651      806.9266       23.52768      288.5745 4.161233 283.9991 4.142210 4.575348       5.871437 
1 1 1 6  19 3  o 276.5330 2.935085 765.1279       16.23063      751.6674       22.68463      778.5886       23.23013      274.1007 4.138009 278.9652 4.163625 -4.864502      5.870170 
1 1 1 6  19 4  o 713.8438 5.408844 5104.395       77.22124      5129.191       109.7392      5079.600       108.6765      715.5746 7.667906 712.1128 7.630569 3.461853       10.81769 
1 1 1 6  19 5  o 140.9073 3.283227 198.7916       9.245295      208.1431       13.16303      189.4400       12.99301      144.2250 4.563367 137.5896 4.721653 6.635452       6.566454 
1 1 1 6  19 6  o 40.51542 7.909688 16.98867       6.622607      16.29439       9.273635      17.68296       9.457831      39.74843 11.19204 41.28242 11.17993 -1.533989      15.81938 
1 1 1 6  19 7  f 183.0826 2.722421 335.4519       9.967916      347.9207       14.22571      323.0540       13.96358      186.4772 3.814330 179.6879 3.885509 6.789276       5.444841 
1 1 1 6  19 8  o 458.3344 3.713052 2102.685       34.04111      2073.638       47.57962      2132.440       48.69189      455.1327 5.227005 461.5362 5.274981 -6.403442      7.426103 
1 1 1 6  19 9  o 214.5282 2.663946 460.5645       11.42733      471.9706       16.30148      449.1584       16.02518      217.1855 3.752892 211.8708 3.781828 5.314651       5.327891 
1 1 1 6  19 10 o 437.0224 3.842029 1912.820       33.55936      1931.948       44.47660      1892.983       50.26465      439.2867 5.062367 434.7582 5.780759 4.528442       7.684057 
1 1 1 6  19 11 o 240.7088 2.564511 579.7969       12.34832      592.4073       17.64045      567.2573       17.27914      243.3193 3.624958 238.0982 3.628574 5.221100       5.129022 
1 1 1 6  19 12 o 194.1312 2.590421 377.1797       10.03876      364.7110       14.67204      389.7193       13.71563      190.9064 3.842730 197.3559 3.474846 -6.449509      5.180842 
1 1 1 6  19 13 f 159.1784 2.666789 253.6966       8.515590      244.0616       10.75430      263.2607       13.21263      156.1754 3.443020 162.1814 4.073411 -6.005997      5.333579 
1 1 1 6  19 14 o 276.7316 2.673727 766.5449       14.79956      765.1279       20.87099      767.9618       20.98434      276.4763 3.774463 276.9869 3.787967 -0.5105591     5.347454 
1 1 1 6  19 15 o 89.99081 3.044712 81.11773       5.479167      80.90520       7.516674      81.33026       7.977167      89.87714 4.181638 90.10447 4.426621 -0.2273254     6.089424 
1 1 1 6  19 16 o 87.23759 3.201784 76.44194       5.621565      69.25824       7.081684      83.59731       8.735210      83.14694 4.258535 91.32825 4.782316 -8.181305      6.403567 
1 1 1 6  19 17 o 186.4633 2.580541 348.2041       9.606606      357.3431       12.65295      339.1359       14.45242      188.9219 3.348725 184.0046 3.927188 4.917236       5.161082 
1 1 1 6  19 18 o 234.9573 2.696095 553.1591       12.63878      571.7206       16.86824      534.5977       18.83065      238.9294 3.529962 230.9851 4.076161 7.944321       5.392191 
1 1 1 6  19 19 o 140.8659 2.925844 199.0041       8.239295      190.5027       11.62569      207.4347       11.67529      137.8616 4.216436 143.8702 4.057575 -6.008606      5.851687 
1 1 1 6  19 20 o 53.79871 5.514600 29.20238       5.935409      29.35824       9.117774      29.05361       7.601687      53.89634 8.458622 53.70108 7.077778 0.1952515      11.02920 
1 1 1 6  19 21 o 94.57878 3.654453 89.90253       6.922991      91.39028       10.64095      88.41478       8.855647      95.32252 5.581549 93.83505 4.718731 1.487465       7.308906 
1 1 1 6  19 22 o 155.8875 3.035468 244.0616       9.493254      251.5004       14.83498      236.6229       11.84531      158.2026 4.688603 153.5725 3.856587 4.630051       6.070936 
1 1 1 6  19 23 o 58.64560 3.963799 34.65038       4.648860      33.71522       6.517048      35.59262       6.631817      57.84908 5.632802 59.44213 5.578382 -1.593052      7.927598 
1 1 1 6  19 24 o 243.5670 3.097409 596.4456       15.11128      611.6064       22.75547      581.2847       19.88624      246.5939 4.613956 240.5402 4.133664 6.053741       6.194818 
1 1 1 6  19 25 o 192.0001 2.409057 369.9535       9.252379      377.6048       12.97884      362.3022       13.17720      193.9977 3.345101 190.0026 3.467638 3.995102       4.818113 
1 1 1 6  19 26 o 231.5320 2.775628 538.9193       12.88674      554.5760       19.88624      523.2625       16.38649      234.7999 4.234721 228.2641 3.589371 6.535858       5.551256 
1 1 1 6  19 27 o 85.43932 3.423207 73.60814       5.860313      76.44194       8.798972      70.76725       7.743378      87.05665 5.053589 83.82199 4.618942 3.234657       6.846415 
1 1 1 6  19 28 o 73.11091 4.343108 54.30283       6.388818      57.58296       10.11669      51.02269       7.807138      75.21434 6.725241 71.00748 5.497406 4.206863       8.686216 
1 1 1 6  19 29 o 97.41411 2.807358 95.64099       5.465705      88.91070       7.587519      102.4421       7.870899      93.95390 4.037895 100.8743 3.901340 -6.920418      5.614717 
1 1 1 6  19 30 o 117.4341 3.186166 139.5650       7.417490      131.5595       11.74613      147.6413       9.054014      113.8410 5.159009 121.0272 3.740488 -7.186188      6.372333 
1 1 1 6  19 31 o 44.95581 5.321743 21.14729       4.678616      21.26064       6.982501      21.03393       6.230125      44.65191 8.118688 45.25971 6.882639 -0.6078072     10.64349 
1 1 1 6  19 32 o 101.7065 2.837627 104.6383       5.801512      109.5975       9.238212      99.67917       7.024299      103.9942 4.441697 99.41885 3.532680 4.575310       5.675253 
1 1 1 6  19 33 o 108.0991 2.655045 118.2406       5.763964      122.7747       9.146112      113.7065       7.017923      110.0348 4.156008 106.1634 3.305245 3.871399       5.310089 
1 1 1 6  19 34 o 35.34406 5.088363 13.49601       3.519589      10.21588       5.123523      16.77614       4.827391      30.43336 8.222719 40.25476 5.996050 -9.821394      10.17673 
1 1 1 6  19 35 o 53.60030 3.169787 29.53536       3.404819      33.55936       5.122107      25.51135       4.487334      57.27172 4.471758 49.92887 4.493726 7.342850       6.339574 
1 1 1 6  19 36 o 67.44597 2.548414 46.43193       3.446618      48.64230       5.212080      44.22865       4.510004      68.98373 3.777760 65.90820 3.421428 3.075531       5.096827 
1 1 1 6  19 37 o 55.01205 12.65157 69.86043       16.16687      88.55647       25.85140      51.16439       19.41158      61.07725 19.08804 48.94687 16.61011 12.13038       25.30314 
1 1 1 6  19 38 o 29.24909 6.263465 5.970123       6.254212      -1.557177      11.78155      13.49601       4.205369      23.62834 10.85228 34.86984 6.257158 -11.24150      12.52693 
1 1 1 6  19 39 o 42.82687 6.132648 22.01868       5.522382      12.27038       10.46383      31.76698       3.537299      30.03831 11.84585 55.61543 3.180142 -25.57712      12.26530 
1 1 1 6  19 40 o 21.31649 6.852649 1.614562       6.419991      1.823555       9.755382      1.404860       8.345562      21.90273 9.986991 20.73025 9.385904 1.172483       13.70530 
1 1 1 6  19 41 o 24.07534 7.163652 7.792970       6.168490      14.21154       9.011506      1.382190       8.430575      28.33337 11.03827 19.81730 9.133902 8.516075       14.32730 
1 1 1 6  20 0  f 87.38708 5.446996 77.29209       9.443663      77.29209       9.443663      77.29209       9.443663      87.38708 5.446996 87.38708 5.446996 -0.000000      0.000000 
1 1 1 6  20 1  o 206.5096 2.712714 426.8422       11.20771      444.7661       16.15978      408.9892       15.52926      210.8385 3.832267 202.1806 3.840443 8.657852       5.425428 
1 1 1 6  20 2  o 429.4287 3.575447 1845.517       30.71138      1827.806       43.08804      1863.937       43.76815      427.3284 5.041560 431.5290 5.071288 -4.200531      7.150894 
1 1 1 6  20 3  o 392.2407 3.367839 1540.174       26.43233      1585.515       38.29890      1494.833       36.43568      398.0121 4.811275 386.4693 4.713916 11.54279       6.735679 
1 1 1 6  20 4  o 265.1840 2.791065 703.8469       14.80664      711.2856       21.11895      696.0539       20.75055      266.6185 3.960517 263.7495 3.933762 2.869080       5.582131 
1 1 1 6  20 5  o 437.4449 3.614399 1915.654       31.62529      1938.324       45.19923      1892.983       44.24281      440.0312 5.135911 434.8586 5.087035 5.172638       7.228798 
1 1 1 6  20 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  20 7  o 215.2854 2.610173 463.7525       11.23604      456.5263       15.72763      471.0496       16.06060      213.6003 3.681556 216.9706 3.701102 -3.370285      5.220346 
1 1 1 6  20 8  o 178.6549 2.560069 319.3701       9.146112      319.0158       12.90091      319.7243       12.97175      178.5561 3.612565 178.7538 3.628386 -0.1976776     5.120137 
1 1 1 6  20 9  o 123.9380 2.787810 153.7340       6.911656      150.6877       9.549930      156.7804       9.996255      122.7111 3.891224 125.1649 3.993233 -2.453804      5.575620 
1 1 1 6  20 10 o 189.2143 2.791301 358.4766       10.60552      374.7001       16.52110      342.2530       13.30472      193.4860 4.269325 184.9427 3.596987 8.543350       5.582603 
1 1 1 6  20 11 o 96.14749 3.164678 93.01972       6.072140      79.27575       8.232210      106.8345       8.926493      88.98589 4.625570 103.3091 4.320284 -14.32320      6.329357 
1 1 1 6  20 12 o 306.7107 3.084746 942.2409       18.92275      942.9493       28.55061      940.8240       24.84540      306.8576 4.652094 306.5639 4.052239 0.2937012      6.169492 
1 1 1 6  20 13 o 52.56112 5.326113 29.47159       5.094476      41.60737       7.233293      17.34290       7.176617      64.41772 5.614366 40.70452 9.052559 23.71320       10.65223 
1 1 1 6  20 14 o 155.8493 2.514584 243.2823       7.835476      252.9173       11.04476      233.6474       11.10852      158.9410 3.474486 152.7576 3.635996 6.183319       5.029167 
1 1 1 6  20 15 o 193.1117 2.467121 373.3541       9.528677      374.6293       13.17720      372.1497       13.76522      193.4380 3.406054 192.7854 3.570089 0.6525726      4.934241 
1 1 1 6  20 16 o 158.4939 2.656888 251.6421       8.423491      249.3042       10.93141      253.9091       12.83006      157.7875 3.463967 159.2003 4.029536 -1.412781      5.313777 
1 1 1 6  20 17 o 162.0033 2.783818 263.4024       9.004422      286.0020       12.85840      240.8736       12.60336      168.9643 3.805063 155.0423 4.064489 13.92200       5.567636 
1 1 1 6  20 18 o 237.8463 2.892578 567.1865       13.75813      586.0313       19.69496      548.2708       19.22029      241.8087 4.072425 233.8839 4.108939 7.924805       5.785156 
1 1 1 6  20 19 o 267.9012 3.018521 719.7870       16.17395      710.5771       22.41541      728.9969       23.32932      266.1975 4.210297 269.6048 4.326577 -3.407257      6.037042 
1 1 1 6  20 20 o 145.2616 2.753729 211.8271       7.984251      223.5874       11.10852      199.9959       11.46984      149.3286 3.719490 141.1947 4.061709 8.133926       5.507458 
1 1 1 6  20 21 o 256.4328 2.819308 659.9937       14.44533      668.5659       18.91566      651.3506       21.83448      258.1765 3.663321 254.6891 4.286498 3.487366       5.638615 
1 1 1 6  20 22 o 126.8868 3.260151 161.8104       8.274716      161.5978       12.55377      162.0229       10.77555      126.7548 4.951988 127.0188 4.241716 -0.2639694     6.520302 
1 1 1 6  20 23 o 69.80415 3.955384 49.20906       5.536551      52.74424       8.331393      45.67389       7.297054      72.29664 5.761951 67.31165 5.420350 4.984985       7.910769 
1 1 1 6  20 24 o 172.4868 2.679984 298.8250       9.245295      298.2582       13.82898      299.3209       12.27038      172.2889 4.013311 172.6847 3.552829 -0.3957977     5.359968 
1 1 1 6  20 25 o 137.6542 3.056151 191.4237       8.558097      215.5819       14.07694      167.2655       9.727042      146.2758 4.811778 129.0326 3.769220 17.24326       6.112301 
1 1 1 6  20 26 o 111.4392 2.741181 124.8292       6.113231      122.6330       8.210957      127.0254       9.061099      110.4818 3.715978 112.3967 4.030855 -1.914978      5.482361 
1 1 1 6  20 27 o 143.8919 2.678241 208.3557       7.700871      217.3530       10.98809      199.2875       10.80389      147.0238 3.736840 140.7601 3.837697 6.263687       5.356481 
1 1 1 6  20 28 o 37.01025 7.844046 13.67312       6.917324      22.68463       9.705790      4.655945       9.861650      45.65419 10.78767 28.36632 11.39045 17.28786       15.68809 
1 1 1 6  20 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  20 30 o 31.78841 5.613338 6.806805       5.109354      -6.206746      8.388069      19.82248       5.834808      19.58467 9.058671 43.99215 6.631647 -24.40748      11.22668 
1 1 1 6  20 31 o 91.45905 3.185935 84.80168       5.836226      88.41478       8.678535      81.18858       7.807138      93.36990 4.647394 89.54819 4.359182 3.821701       6.371871 
1 1 1 6  20 32 o 36.67844 6.030921 14.74288       4.363355      15.92599       6.679283      13.55977       5.615189      38.06253 8.920345 35.29434 8.118834 2.768192       12.06184 
1 1 1 6  20 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  20 34 o 50.67111 3.820532 26.72280       3.880899      31.51902       5.912030      21.93367       5.028590      55.26740 5.348569 46.07482 5.456984 9.192581       7.641065 
1 1 1 6  20 35 o 27.74449 4.948780 7.715039       3.327598      1.325513       5.011588      14.11236       4.378940      18.82346 7.893238 36.66551 5.971470 -17.84205      9.897559 
1 1 1 6  20 36 o 86.23924 2.601956 76.30025       4.527715      87.70633       7.084518      64.88709       5.636442      92.65721 3.822972 79.82127 3.530664 12.83594       5.203912 
1 1 1 6  20 37 o 51.95665 3.425456 29.17405       3.562804      29.91083       5.343852      28.43017       4.714038      52.40817 5.098300 51.50513 4.576280 0.9030342      6.850913 
1 1 1 6  20 38 o 46.24746 2.740926 22.33040       2.522797      25.51135       3.646401      19.14237       3.487708      49.65079 3.672048 42.84414 4.070228 6.806652       5.481851 
1 1 1 6  20 39 o 102.4266 3.613461 113.4940       7.247461      110.0934       12.66712      116.8945       7.035635      98.59064 6.424098 106.2626 3.310496 -7.671921      7.226923 
1 1 1 6  20 40 o 39.34306 6.218867 20.75055       5.239001      21.30314       10.01751      20.19796       3.078223      34.83535 11.93222 43.85077 3.509885 -9.015419      12.43773 
1 1 1 6  21 0  o 45.97199 10.26708 24.07319       8.232210      24.07319       8.232210      24.07319       8.232210      45.97199 10.26708 45.97199 10.26708 0.000000       0.000000 
1 1 1 6  21 1  o 402.7392 3.673296 1623.771       29.63454      1656.360       45.30549      1591.891       38.20681      406.6996 5.569896 398.7787 4.790476 7.920837       7.346591 
1 1 1 6  21 2  o 193.6839 2.616003 375.4086       10.13795      364.7818       14.04151      386.1062       14.62245      190.9339 3.677062 196.4339 3.721976 -5.500046      5.232006 
1 1 1 6  21 3  o 66.60510 4.522336 44.61829       5.973666      50.16547       8.288886      39.07111       8.607689      70.77167 5.856077 62.43854 6.892930 8.333126       9.044673 
1 1 1 6  21 4  o 395.6581 3.352375 1567.095       26.52443      1569.929       37.51960      1564.262       37.51252      396.0162 4.737130 395.3000 4.744816 0.7161560      6.704751 
1 1 1 6  21 5  o 405.1455 3.405531 1643.608       27.59420      1658.486       39.26948      1628.022       38.78065      407.0226 4.823993 403.2685 4.808291 3.754028       6.811063 
1 1 1 6  21 6  o 53.60092 5.133232 28.89066       5.467123      32.15663       7.601687      25.63179       7.856731      56.64635 6.709777 50.55549 7.770402 6.090862       10.26646 
1 1 1 6  21 7  o 160.0693 2.574908 256.5304       8.239295      267.0155       11.75322      245.9744       11.55485      163.3546 3.597454 156.7839 3.684960 6.570724       5.149816 
1 1 1 6  21 8  o 277.1890 2.752757 768.6702       15.26714      753.0842       21.09769      784.9646       22.06827      274.3186 3.845473 280.0595 3.939926 -5.740875      5.505514 
1 1 1 6  21 9  o 175.2783 2.707141 307.5389       9.472000      315.4736       12.43333      299.6043       14.28947      177.5521 3.501318 173.0045 4.129797 4.547577       5.414282 
1 1 1 6  21 10 o 222.3929 2.833669 495.2786       12.63170      508.8101       19.46825      481.6763       16.10311      225.4192 4.318233 219.3665 3.670366 6.052689       5.667339 
1 1 1 6  21 11 o 140.5755 2.639915 197.8706       7.417490      201.4128       10.36465      194.3283       10.61969      141.8375 3.653705 139.3136 3.811436 2.523972       5.279830 
1 1 1 6  21 12 o 359.5567 4.054072 1297.175       29.07486      1334.723       37.81007      1259.627       44.18614      364.8659 5.181366 354.2475 6.236620 10.61841       8.108144 
1 1 1 6  21 13 o 92.57021 3.947291 86.00604       7.325392      89.76084       11.09435      82.25125       9.571183      94.57664 5.865273 90.56377 5.284223 4.012863       7.894582 
1 1 1 6  21 14 o 21.65545 6.217361 -3.908529      5.168864      6.959831       7.076016      -14.77830      7.537927      28.19648 9.992373 15.11441 7.401001 13.08206       12.43472 
1 1 1 6  21 15 o 154.4339 2.843383 238.9608       8.784801      239.9526       12.13578      237.9690       12.69546      154.7618 3.920794 154.1060 4.119064 0.6557159      5.686767 
1 1 1 6  21 16 o 49.90604 5.845244 26.94951       5.339601      39.46785       7.417490      14.43116       7.679617      62.68100 5.916857 37.13108 10.08257 25.54992       11.69049 
1 1 1 6  21 17 o 167.8466 2.455888 282.2472       8.246379      281.2554       11.42733      283.1682       11.88782      167.5674 3.409770 168.1258 3.535394 -0.5583801     4.911776 
1 1 1 6  21 18 o 91.20139 3.044739 83.52647       5.537968      88.98154       7.658363      78.07139       7.998421      94.19825 4.065024 88.20453 4.534019 5.993721       6.089479 
1 1 1 6  21 19 o 190.6483 2.459923 364.7818       9.379901      389.3651       13.55268      340.1985       12.96467      197.0851 3.438282 184.2115 3.518963 12.87364       4.919846 
1 1 1 6  21 20 o 55.02199 4.363720 31.21438       4.728916      22.11078       6.259171      40.31091       7.091603      46.78159 6.689782 63.26239 5.604912 -16.48080      8.727441 
1 1 1 6  21 21 o 43.77832 5.339007 19.73038       4.574473      19.35490       6.058680      20.09878       6.854979      43.74499 6.924999 43.81165 8.128000 -0.6666183E-01 10.67801 
1 1 1 6  21 22 o 45.62430 5.558167 21.64320       4.899652      24.88083       6.778466      18.40558       7.076016      49.55481 6.839364 41.69380 8.763330 7.861008       11.11633 
1 1 1 6  21 23 o 201.1478 2.865173 406.7222       11.50526      422.4498       15.84807      390.9945       16.69112      205.0825 3.863827 197.2130 4.231750 7.869492       5.730346 
1 1 1 6  21 24 o 70.51678 4.495883 50.59763       6.470999      44.34908       6.971874      56.84617       10.90307      66.29241 5.258425 74.74117 7.293888 -8.448753      8.991765 
1 1 1 6  21 25 o 95.07281 3.915251 91.39028       7.374983      95.07423       8.175533      87.63548       12.27747      97.21555 4.204849 92.93007 6.605757 4.285484       7.830503 
1 1 1 6  21 26 o 138.3616 3.372407 193.1948       9.323226      187.7397       13.70854      198.6499       12.62461      136.3394 5.027359 140.3838 4.496462 -4.044449      6.744814 
1 1 1 6  21 27 o 61.70856 5.910101 39.42534       7.176617      45.83683       9.804973      33.01385       10.47800      66.96101 7.321404 56.45611 9.279776 10.50489       11.82020 
1 1 1 6  21 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  21 29 o 62.62363 4.713715 40.90601       5.594644      52.18456       7.268716      29.62037       8.508506      71.73806 5.066150 53.50920 7.950508 18.22886       9.427430 
1 1 1 6  21 30 o 154.3952 2.909417 241.1570       8.940661      228.0506       13.43933      254.1925       11.79572      150.0550 4.478135 158.7355 3.715528 -8.680496      5.818835 
1 1 1 6  21 31 o 72.47628 3.850359 54.01236       5.720748      62.13831       9.698705      45.88642       6.068598      77.71732 6.239732 67.23524 4.512959 10.48207       7.700718 
1 1 1 6  21 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  21 33 o 83.98409 3.132142 71.97870       5.275840      75.30843       8.090520      68.67023       6.778466      85.81180 4.714107 82.15639 4.125344 3.655411       6.264285 
1 1 1 6  21 34 o 104.4586 2.650653 111.0144       5.547885      114.6983       8.409323      107.4013       7.240376      106.0694 3.964068 102.8479 3.519945 3.221474       5.301306 
1 1 1 6  21 35 o 28.89774 6.003479 9.571183       3.779590      12.50417       5.783092      6.637485       4.868481      32.97115 8.658621 24.82434 8.318372 8.146809       12.00696 
1 1 1 6  21 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  21 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  21 38 o 13.99489 4.410534 -0.5327557     2.505794      0.2701327      3.770380      -1.335432      3.302094      15.16033 6.611687 12.82945 5.839248 2.330880       8.821068 
1 1 1 6  21 39 o 22.73933 4.840795 6.242877       2.436366      6.621899       2.999585      5.864564       3.841226      23.57944 6.256042 21.89922 7.388851 1.680223       9.681590 
1 1 1 6  21 40 o 33.32013 5.631738 14.74997       4.755837      10.31506       8.813140      19.17779       3.574848      24.73741 10.42450 41.90285 4.265638 -17.16544      11.26348 
1 1 1 6  22 0  o 282.9269 3.964339 801.2590       22.42250      801.2590       22.42250      801.2590       22.42250      282.9269 3.964339 282.9269 3.964339 0.000000       0.000000 
1 1 1 6  22 1  o 78.98103 3.684453 62.51378       5.820640      58.99278       8.062181      66.03479       8.395153      76.75417 5.251950 81.20790 5.168927 -4.453728      7.368906 
1 1 1 6  22 2  o 301.3458 2.865105 908.9437       17.26497      928.0718       24.68246      889.8155       24.15821      304.5169 4.052724 298.1746 4.051016 6.342285       5.730210 
1 1 1 6  22 3  f 97.19868 3.147136 94.79085       6.116773      86.43112       8.373900      103.0797       8.919409      92.91970 4.505987 101.4777 4.394764 -8.557961      6.294273 
1 1 1 6  22 4  o 66.76929 4.447518 44.71748       5.946744      47.43085       8.791886      42.00410       8.012589      68.79461 6.389954 64.74398 6.187903 4.050629       8.895036 
1 1 1 6  22 5  o 167.9260 2.583485 282.2472       8.678535      280.0510       12.07910      284.3726       12.46167      167.2846 3.610345 168.5673 3.696347 -1.282730      5.166969 
1 1 1 6  22 6  o 75.38281 3.810387 57.27832       5.694535      66.19065       8.090520      48.36600       8.019674      81.29359 4.976112 69.47204 5.771873 11.82155       7.620774 
1 1 1 6  22 7  o 202.2495 2.566238 409.4851       10.37882      417.7740       14.74997      401.1962       14.60828      204.2978 3.609919 200.2013 3.648397 4.096451       5.132476 
1 1 1 6  22 8  o 75.34634 3.777173 56.98078       5.671865      61.15356       7.856731      52.81508       8.182618      78.11675 5.028838 72.57594 5.637280 5.540810       7.554346 
1 1 1 6  22 9  o 210.3074 3.275998 443.2783       13.81481      430.5262       17.30748      456.0304       21.54402      207.3215 4.174066 213.2932 5.050330 -5.971634      6.551997 
1 1 1 6  22 10 o 53.42108 5.508498 28.71355       5.889359      27.75714       8.019674      29.67705       8.628942      52.53431 7.632797 54.30785 7.944470 -1.773544      11.01700 
1 1 1 6  22 11 o 72.84514 4.347417 53.43852       6.283967      59.37534       8.636027      47.49461       9.131943      76.93034 5.612888 68.75993 6.640454 8.170410       8.694834 
1 1 1 6  22 12 o 37.07955 7.557471 13.53143       6.272632      18.15053       7.672533      8.919409       9.925409      41.58392 9.439184 32.57518 11.80522 9.008736       15.11494 
1 1 1 6  22 13 o 314.7173 2.938735 992.5410       18.49767      980.4973       25.94350      1004.585       26.37566      312.8092 4.146857 316.6254 4.165121 -3.816162      5.877470 
1 1 1 6  22 14 o 182.4229 2.526223 333.3266       9.216957      340.4111       13.01426      326.3129       13.04968      184.3554 3.529666 180.4904 3.615062 3.864960       5.052446 
1 1 1 6  22 15 o 175.1543 2.514766 307.3972       8.806056      313.9150       12.38374      300.8086       12.52543      177.0267 3.497703 173.2819 3.614177 3.744858       5.029533 
1 1 1 6  22 16 o 42.16109 5.788904 18.55435       4.731750      23.28681       6.538302      13.81481       6.840810      48.08249 6.799047 36.23969 9.371159 11.84280       11.57781 
1 1 1 6  22 17 o 186.5999 2.483303 349.0542       9.266549      344.3784       12.83006      353.6591       13.38265      185.3656 3.460746 187.8341 3.562360 -2.468536      4.966605 
1 1 1 6  22 18 o 68.35941 4.310750 47.53712       5.700912      56.66906       7.247461      38.40517       8.806056      75.08861 4.825940 61.63021 7.144269 13.45840       8.621501 
1 1 1 6  22 19 o 96.83100 2.979253 94.15324       5.770339      94.79085       7.828392      93.51564       8.473083      97.17612 4.027940 96.48588 4.390841 0.6902466      5.958506 
1 1 1 6  22 20 o 148.1041 2.897732 220.8244       8.628942      197.8706       11.08727      243.8491       13.21971      140.3969 3.948545 155.8114 4.242216 -15.41449      5.795464 
1 1 1 6  22 21 o 136.7701 2.958097 188.1648       8.111773      179.0258       10.55593      197.2330       12.32706      133.4961 3.953649 140.0440 4.401138 -6.547928      5.916194 
1 1 1 6  22 22 o 144.5468 2.910100 210.1976       8.444746      196.7370       10.94558      223.6582       12.85840      139.9486 3.910572 149.1451 4.310703 -9.196457      5.820200 
1 1 1 6  22 23 o 99.45519 3.743851 99.89171       7.382068      103.4340       8.090520      96.34944       12.35540      101.4249 3.988430 97.48552 6.337043 3.939346       7.487702 
1 1 1 6  22 24 f 110.6512 2.906452 123.1998       6.410780      128.9382       8.621859      117.4613       9.493254      113.2744 3.805741 108.0281 4.393882 5.246284       5.812905 
1 1 1 6  22 25 f 131.1277 3.128114 173.3582       8.175533      179.3091       10.67637      167.3363       12.39082      133.4850 3.999090 128.7705 4.811202 4.714417       6.256228 
1 1 1 6  22 26 o 42.68621 7.222150 19.76581       6.185493      17.91675       7.112856      21.62195       10.12378      40.89307 8.942916 44.47935 11.34293 -3.586285      14.44430 
1 1 1 6  22 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  22 28 f 137.5749 3.356298 191.5654       9.238212      188.8733       12.57502      194.3283       13.53851      136.6458 4.601320 138.5039 4.887412 -1.858109      6.712595 
1 1 1 6  22 29 o 87.37296 3.818588 78.00054       6.690619      87.13957       10.05293      68.88277       8.827310      92.49255 5.434454 82.25337 5.365925 10.23918       7.637175 
1 1 1 6  22 30 o 100.1611 3.349116 102.0171       6.698411      98.68733       9.776634      105.2759       9.160281      98.46367 4.964590 101.8585 4.496571 -3.394844      6.698231 
1 1 1 6  22 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  22 32 o 140.7713 2.966820 201.5545       8.324308      197.5872       13.24805      205.5219       10.08127      139.0441 4.763972 142.4985 3.537324 -3.454361      5.933640 
1 1 1 6  22 33 o 65.33182 5.371318 46.09896       7.353730      54.82000       13.50309      37.38500       5.819932      70.33791 9.598730 60.32572 4.823756 10.01218       10.74264 
1 1 1 6  22 34 o 36.28399 5.658080 15.14670       4.044551      19.05027       6.199661      11.24313       5.195077      41.21833 7.804155 31.34964 8.194550 9.868685       11.31616 
1 1 1 6  22 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  22 36 f 30.91444 9.182705 12.12869       9.748297      15.61428       16.11728      8.643111       10.95975      33.44329 14.09545 28.38560 11.77313 5.057695       18.36541 
1 1 1 6  22 37 o 73.09648 2.796648 55.72681       4.099102      58.28432       6.241460      53.16930       5.316222      74.59850 4.183368 71.59445 3.712733 3.004051       5.593296 
1 1 1 6  22 38 o 22.86509 5.362490 6.400154       2.872772      6.701954       4.389567      6.098353       3.706620      23.28053 7.898652 22.44966 7.255100 0.8308620      10.72498 
1 1 1 6  22 39 o 21.33284 4.896001 5.579058       2.466829      4.230165       3.649235      6.927950       3.320513      19.10281 7.124724 23.56286 6.717261 -4.460051      9.792002 
1 1 1 6  23 0  o 162.4054 3.749426 264.3234       12.16412      264.3234       12.16412      264.3234       12.16412      162.4054 3.749426 162.4054 3.749426 0.000000       0.000000 
1 1 1 6  23 1  o 163.3039 2.650693 267.0155       8.657280      273.0373       12.29164      260.9936       12.19245      165.1469 3.721426 161.4608 3.775669 3.686020       5.301386 
1 1 1 6  23 2  o 166.6213 2.628472 277.9965       8.756464      287.9857       12.45458      268.0782       12.31289      169.6072 3.671596 163.6355 3.762293 5.971695       5.256945 
1 1 1 6  23 3  o 145.2795 2.674173 211.3312       7.771716      214.2358       11.01642      208.4265       10.95975      146.2787 3.765559 144.2803 3.798075 1.998444       5.348347 
1 1 1 6  23 4  o 113.2904 2.948256 128.5840       6.679283      128.5840       9.443663      128.5132       9.450747      113.3061 4.167322 113.2747 4.171605 0.3140259E-01  5.896513 
1 1 1 6  23 5  o 233.7621 3.017870 547.4207       14.11236      545.8621       19.89333      548.9084       20.01376      233.4375 4.260954 234.0867 4.274862 -0.6491699     6.035741 
1 1 1 6  23 6  o 49.18855 6.037587 24.78873       5.819223      26.97076       8.458915      22.60670       7.991336      51.76584 8.170363 46.61124 8.891289 5.154598       12.07517 
1 1 1 6  23 7  o 91.29610 3.742635 83.73900       6.843644      76.51279       9.188620      90.96520       10.14503      87.35116 5.259587 95.24104 5.325976 -7.889877      7.485271 
1 1 1 6  23 8  o 100.4700 3.598191 101.7337       7.183701      116.8237       10.29380      86.71449       10.02459      107.9585 4.767480 92.98138 5.390645 14.97716       7.196383 
1 1 1 6  23 9  o 110.0901 3.394371 121.4995       7.474166      121.4995       11.46275      121.4995       9.592437      110.0660 5.207216 110.1142 4.355676 -0.4821777E-01 6.788741 
1 1 1 6  23 10 o 272.5581 2.775707 743.8744       15.13253      733.2476       21.11186      755.2096       21.68571      270.5501 3.901655 274.5661 3.949087 -4.016022      5.551414 
1 1 1 6  23 11 o 67.43041 4.373053 45.90767       5.909905      52.40418       8.905238      39.41825       7.771716      72.22362 6.165046 62.63721 6.203754 9.586411       8.746105 
1 1 1 6  23 12 o 300.6853 2.892176 906.1099       17.39249      894.7746       24.32115      917.4451       24.87374      298.8077 4.069699 302.5629 4.110508 -3.755188      5.784352 
1 1 1 6  23 13 o 225.8600 2.621908 511.2188       11.84531      526.8756       16.91074      495.5620       16.58486      229.3219 3.687119 222.3982 3.728640 6.923721       5.243816 
1 1 1 6  23 14 o 135.6814 2.680480 184.5517       7.268716      190.6444       10.20170      178.4590       10.35756      137.9289 3.698176 133.4339 3.881160 4.494995       5.360961 
1 1 1 6  23 15 o 33.99685 6.608519 12.13578       4.681449      9.592437       6.334267      14.68620       6.895361      30.69081 9.419993 37.30289 9.271127 -6.612085      13.21704 
1 1 1 6  23 16 o 180.1489 2.700089 325.6044       9.719957      315.4027       14.03443      335.8062       13.44641      177.3057 3.957693 182.9921 3.674043 -5.686371      5.400178 
1 1 1 6  23 17 o 89.95719 3.662069 81.61364       6.615522      73.74983       8.607689      89.47746       10.04585      85.62921 5.026141 94.28517 5.327374 -8.655960      7.324138 
1 1 1 6  23 18 o 115.8204 3.196367 135.5977       7.438744      114.3441       9.557014      156.9221       11.39899      106.6791 4.479328 124.9617 4.560994 -18.28255      6.392734 
1 1 1 6  23 19 o 68.04202 4.526720 46.88534       6.097645      50.95185       7.885069      42.81882       9.301972      71.08987 5.545846 64.99419 7.156003 6.095680       9.053440 
1 1 1 6  23 20 o 27.59249 6.949403 6.582934       5.093060      1.459411       6.135900      11.70362       8.133026      21.38314 8.835249 33.80183 10.72917 -12.41868      13.89881 
1 1 1 6  23 21 o 62.71454 4.119124 39.73706       5.173115      38.41934       6.896070      41.05478       7.715039      61.69922 5.588458 63.72986 6.052924 -2.030640      8.238249 
1 1 1 6  23 22 o 163.8487 2.609424 269.9910       8.565183      256.1053       11.52651      283.8058       12.66712      159.6599 3.609707 168.0374 3.769136 -8.377472      5.218848 
1 1 1 6  23 23 o 33.12239 6.998110 10.65512       5.419656      15.21046       6.535468      6.093394       8.650196      37.77141 8.805473 28.47337 10.87924 9.298037       13.99622 
1 1 1 6  23 24 f 38.35223 6.908435 15.84807       5.333934      15.11836       6.932201      16.57069       8.111773      37.52235 9.277683 39.18210 10.23868 -1.659748      13.81687 
1 1 1 6  23 25 o 83.16159 4.444989 70.83101       7.523758      59.25491       8.685618      82.39294       12.29164      76.44978 5.680604 89.87341 6.838307 -13.42363      8.889978 
1 1 1 6  23 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  23 27 o 30.75777 7.281281 9.507423       5.514588      4.180574       6.850020      14.82790       8.643111      24.58222 9.614200 36.93333 10.93779 -12.35110      14.56256 
1 1 1 6  23 28 o 63.82218 4.770474 41.91909       6.115356      40.25423       7.247461      43.58395       9.854564      62.79235 5.770975 64.85201 7.597732 -2.059666      9.540948 
1 1 1 6  23 29 o 136.9883 3.289567 191.2111       8.983169      212.5355       12.87257      169.8159       12.53251      144.7560 4.446298 129.2205 4.849273 15.53549       6.579135 
1 1 1 6  23 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  23 31 o 56.32975 5.191475 33.36808       5.846852      33.25473       8.465999      33.47435       8.069265      56.16273 7.537026 56.49678 7.141351 -0.3340492     10.38295 
1 1 1 6  23 32 o 31.01954 7.013719 10.52759       5.145485      6.062930       7.169532      14.98375       7.382068      25.97866 9.910741 36.06041 9.927044 -10.08174      14.02744 
1 1 1 6  23 33 o 82.30548 3.535576 70.44136       5.813555      74.31659       8.239295      66.55904       8.203872      84.65491 4.866401 79.95606 5.130237 4.698845       7.071152 
1 1 1 6  23 34 o 37.26473 9.324842 22.28081       8.997337      23.99526       14.78539      20.55927       10.25130      37.20229 14.22075 37.32718 12.06569 -0.1248817     18.64968 
1 1 1 6  23 35 o 18.47325 5.891874 -9.712874      6.174158      -22.14620      11.08019      2.727539       5.450828      16.71853 8.325370 20.22797 8.339361 -3.509447      11.78375 
1 1 1 6  23 36 o 90.41928 2.837777 85.15590       5.134858      87.56464       7.552096      82.67632       6.962664      91.62067 4.121393 89.21790 3.902056 2.402763       5.675555 
1 1 1 6  23 37 o 49.92406 4.037805 28.09011       3.980082      35.84766       6.004128      20.33257       5.227666      57.33274 5.236214 42.51539 6.147969 14.81735       8.075609 
1 1 1 6  23 38 o 23.48321 5.626497 7.081684       3.237624      5.031425       4.558887      9.131943       4.597852      20.66621 7.897459 26.30021 8.016234 -5.634003      11.25299 
1 1 1 6  24 0  o 191.8783 3.839618 368.8908       14.72163      368.8908       14.72163      368.8908       14.72163      191.8783 3.839618 191.8783 3.839618 0.000000       0.000000 
1 1 1 6  24 1  o 182.8454 3.003660 335.1685       10.99517      351.1795       16.03226      319.0867       15.04043      187.2226 4.281605 178.4682 4.213758 8.754440       6.007320 
1 1 1 6  24 2  o 173.1110 3.007524 300.2419       10.41424      303.7133       14.73580      296.7704       14.71454      174.1134 4.231667 172.1086 4.274786 2.004852       6.015048 
1 1 1 6  24 3  o 30.37150 7.399150 8.048012       5.657696      3.621605       7.736294      12.48292       8.260548      25.65909 10.16447 35.08392 10.75515 -9.424826      14.79830 
1 1 1 6  24 4  o 76.40050 4.287512 58.59605       6.551054      57.98678       8.969000      59.21241       9.557014      76.00890 5.899967 76.79210 6.222655 -0.7831955     8.575024 
1 1 1 6  24 5  o 126.9497 2.820156 161.4562       7.162447      164.5733       10.07418      158.3390       10.17337      128.1785 3.929747 125.7209 4.046011 2.457596       5.640312 
1 1 1 6  24 6  o 145.8831 2.702270 213.1731       7.885069      207.3638       10.89599      219.0533       11.40607      143.8853 3.786344 147.8808 3.856509 -3.995483      5.404541 
1 1 1 6  24 7  o 261.7913 2.751913 686.7023       14.41699      667.2199       19.88624      706.1847       20.87099      258.0815 3.852705 265.5010 3.930491 -7.419495      5.503826 
1 1 1 6  24 8  o 139.8044 2.908979 195.8869       8.118857      200.7044       10.69054      191.0694       12.22079      141.5465 3.776333 138.0623 4.425827 3.484283       5.817958 
1 1 1 6  24 9  o 117.8749 2.932266 139.3525       6.914490      133.2598       9.542846      145.3743       10.01042      115.3118 4.137845 120.4381 4.155838 -5.126297      5.864533 
1 1 1 6  24 10 o 45.32533 5.766012 21.18271       5.067555      23.94567       6.937868      18.41975       7.389152      48.76859 7.113050 41.88206 9.077009 6.886536       11.53202 
1 1 1 6  24 11 o 233.7787 2.888145 547.8458       13.49601      552.9466       17.73963      542.7449       20.33965      234.9077 3.775873 232.6497 4.371305 2.257996       5.776290 
1 1 1 6  24 12 o 159.3987 2.816294 254.6884       8.983169      255.6803       13.36140      253.7674       12.00117      159.6771 4.183881 159.1203 3.771101 0.5568237      5.632589 
1 1 1 6  24 13 o 62.37656 5.534599 40.07003       6.731000      29.28740       9.401155      50.85267       9.634944      53.74157 8.746633 71.01155 6.784069 -17.26998      11.06920 
1 1 1 6  24 14 o 118.1259 3.312039 140.3443       7.800055      149.0583       10.73304      131.5595       11.32106      121.8436 4.404436 114.4082 4.947662 7.435394       6.624079 
1 1 1 6  24 15 o 117.6402 3.276403 139.0691       7.707955      138.9982       10.22296      139.1399       11.54068      117.6448 4.344841 117.6356 4.905265 0.9185791E-02  6.552806 
1 1 1 6  24 16 o 89.27291 3.585021 80.26759       6.428492      76.15857       8.005506      84.30576       10.06710      87.05272 4.598079 91.49310 5.501562 -4.440384      7.170043 
1 1 1 6  24 17 o 63.09075 4.592579 40.27548       5.838351      37.52669       7.031384      43.02428       9.323226      61.00545 5.762915 65.17606 7.152339 -4.170609      9.185159 
1 1 1 6  24 18 o 115.1623 2.876877 133.3306       6.631108      127.3088       9.032760      139.3525       9.712874      112.5679 4.012137 117.7567 4.124129 -5.188736      5.753754 
1 1 1 6  24 19 o 60.02226 4.345725 36.45693       5.229083      34.49452       6.866314      38.41934       7.892153      58.43420 5.875254 61.61032 6.404895 -3.176125      8.691449 
1 1 1 6  24 20 o 157.2077 2.622766 248.2415       8.246379      252.5631       11.41316      243.9199       11.89491      158.5963 3.598179 155.8190 3.816898 2.777328       5.245532 
1 1 1 6  24 21 o 91.52245 3.290202 84.37660       6.017590      86.43112       8.246379      82.39294       8.763549      92.64661 4.450448 90.39829 4.847187 2.248322       6.580404 
1 1 1 6  24 22 o 71.99266 3.950969 52.51044       5.648486      57.02328       7.580434      48.00470       8.373900      75.16468 5.042551 68.82065 6.083857 6.344032       7.901939 
1 1 1 6  24 23 o 21.70438 6.673631 -1.433198      5.509629      -4.589351      7.601687      1.723663       7.977167      19.36284 8.825390 24.04593 10.01309 -4.683088      13.34726 
1 1 1 6  24 24 o 27.70607 6.619983 -0.8310140     6.232958      15.99684       8.069265      -17.65462      9.507423      38.39927 10.29422 17.01287 8.326200 21.38640       13.23997 
1 1 1 6  24 25 o 29.66772 8.056070 1.501918       8.196787      12.44750       8.820225      -9.443663      13.81481      34.33869 11.19648 24.99676 11.58619 9.341934       16.11214 
1 1 1 6  24 26 o 22.58514 6.724186 -1.279464      5.656280      5.050553       7.318307      -7.608772      8.628942      25.90080 9.976756 19.26948 9.017930 6.631323       13.44837 
1 1 1 6  24 27 o 167.3276 2.694610 282.6723       9.025676      270.4160       12.14286      294.9993       13.36848      163.7290 3.708221 170.9263 3.910600 -7.197311      5.389221 
1 1 1 6  24 28 o 71.11114 4.070017 51.78074       5.784509      52.36876       7.800055      51.19981       8.543928      71.59963 5.446993 70.62264 6.049001 0.9769897      8.140034 
1 1 1 6  24 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  24 30 o 43.95614 6.076782 21.36691       5.169573      18.49059       6.799720      24.23614       7.785885      40.92031 8.582942 46.99198 8.604779 -6.071671      12.15356 
1 1 1 6  24 31 o 61.48363 4.821492 40.36758       6.007671      31.26398       7.212039      49.47827       9.606606      54.55143 6.610312 68.41584 7.020747 -13.86441      9.642983 
1 1 1 6  24 32 o 24.93193 6.960365 5.229083       5.217747      5.940369       6.360480      4.517797       8.274716      24.81334 9.373086 25.05052 10.29233 -0.2371788     13.92073 
1 1 1 6  24 33 o 21.99123 6.689899 0.5764673      5.589684      -5.128483      7.729208      6.281133       8.076350      18.12900 8.493248 25.85346 10.33846 -7.724457      13.37980 
1 1 1 6  24 34 o 45.70592 6.221669 25.58219       5.562763      18.97234       7.474166      32.19205       8.246379      38.57008 9.692855 52.84177 7.802898 -14.27169      12.44334 
1 1 1 6  24 35 o 50.42147 4.764399 28.40891       4.780632      30.38550       6.568057      26.42525       6.947787      52.54855 6.249512 48.29438 7.193162 4.254169       9.528797 
1 1 1 6  24 36 o 25.92238 6.394561 6.301678       5.370065      1.704535       9.627860      10.89599       4.759379      22.20796 10.06670 29.63680 7.888165 -7.428841      12.78912 
1 1 1 6  24 37 o 15.72469 5.034731 -0.7282885     3.444493      2.451952       5.376441      -3.908529      4.307387      18.68729 8.017812 12.76209 6.091696 5.925204       10.06946 
1 1 1 6  25 0  o 331.4762 6.088304 1102.351       40.33216      1102.351       40.33216      1102.351       40.33216      331.4762 6.088304 331.4762 6.088304 0.000000       0.000000 
1 1 1 6  25 1  f 183.2497 3.065825 336.5854       11.23604      332.8307       15.65678      340.3402       16.12436      182.2314 4.295853 184.2680 4.375247 -2.036636      6.131650 
1 1 1 6  25 2  o 123.0590 3.270976 151.8212       8.048012      155.5760       11.50526      148.1373       11.26438      124.5668 4.618108 121.5512 4.633596 3.015572       6.541952 
1 1 1 6  25 3  o 65.03679 4.890799 42.95343       6.346311      34.65038       8.409323      51.25649       9.507423      58.67701 7.165773 71.39656 6.658180 -12.71955      9.781598 
1 1 1 6  25 4  o 67.22947 4.431350 45.44010       5.971540      43.72564       7.743378      47.15455       9.096521      65.98129 5.867859 68.47765 6.641964 -2.496353      8.862700 
1 1 1 6  25 5  o 110.9223 3.278416 123.4123       7.261631      119.4450       10.69054      127.3796       9.826226      109.1210 4.898480 112.7236 4.358549 -3.602638      6.556833 
1 1 1 6  25 6  o 22.74196 6.459302 0.5965872E-01  4.998836      -6.654488      7.008713      6.773507       7.127024      17.46745 8.156259 28.01646 10.01827 -10.54901      12.91860 
1 1 1 6  25 7  o 249.2562 2.742921 622.6583       13.67312      632.5765       19.43991      612.6691       19.23446      251.2502 3.868638 247.2623 3.889487 3.987869       5.485842 
1 1 1 6  25 8  o 46.16817 6.857615 22.49334       6.299554      30.35007       9.216957      14.64370       8.586436      54.80843 8.408340 37.52792 10.83547 17.28051       13.71523 
1 1 1 6  25 9  o 95.48283 3.841588 91.67366       7.353730      86.36028       9.698705      96.98705       11.05893      92.72971 5.229556 98.23596 5.628760 -5.506248      7.683176 
1 1 1 6  25 10 o 112.8981 3.820309 128.0881       8.628942      130.1426       12.79464      126.1044       11.59027      113.7637 5.623341 112.0325 5.172726 1.731140       7.640618 
1 1 1 6  25 11 o 54.04271 6.397246 30.75389       6.507838      39.41117       8.820225      22.09661       9.571183      62.47319 7.059208 45.61222 10.67083 16.86097       12.79449 
1 1 1 6  25 12 o 76.33258 4.458387 58.76608       6.804679      59.03529       8.997337      58.49686       10.20879      76.54999 5.876773 76.11517 6.706147 0.4348145      8.916775 
1 1 1 6  25 13 o 58.12338 4.855028 34.70705       5.438076      43.55561       7.346645      25.85849       8.019674      65.76086 5.585879 50.48590 7.942489 15.27497       9.710055 
1 1 1 6  25 14 o 186.2534 2.630358 348.0623       9.797889      341.6863       13.55268      354.4384       14.16195      184.5551 3.671718 187.9517 3.767444 -3.396637      5.260717 
1 1 1 6  25 15 o 108.6790 3.053144 118.7365       6.628275      123.2706       9.224042      114.1316       9.521592      110.7892 4.162879 106.5687 4.467349 4.220528       6.106289 
1 1 1 6  25 16 o 80.58232 3.557761 65.40427       5.732083      66.47403       7.970083      64.34159       8.239295      81.25354 4.904452 79.91110 5.155288 1.342438       7.115521 
1 1 1 6  25 17 o 171.8579 2.652157 296.6288       9.117774      295.9911       12.66712      297.1955       13.11344      171.6952 3.688838 172.0206 3.811590 -0.3253784     5.304314 
1 1 1 6  25 18 o 144.6244 2.730397 210.0560       7.899237      210.9769       10.92433      209.2058       11.40607      144.9444 3.768455 144.3044 3.952089 0.6399994      5.460793 
1 1 1 6  25 19 o 72.43741 3.866333 53.12680       5.610938      48.65647       7.523758      57.59713       8.324308      69.39086 5.421289 75.48395 5.513959 -6.093086      7.732666 
1 1 1 6  25 20 o 108.4474 3.099529 118.3823       6.726750      116.1861       9.061099      120.5785       9.946663      107.4676 4.215734 109.4272 4.544877 -1.959602      6.199058 
1 1 1 6  25 21 o 89.25407 3.508358 80.48012       6.271215      76.65448       8.409323      84.30576       9.309056      87.15483 4.824358 91.35332 5.095084 -4.198486      7.016717 
1 1 1 6  25 22 o 49.05946 6.363266 26.26939       5.870231      37.85966       7.885069      14.68620       8.692703      61.02719 6.460290 37.09172 10.96491 23.93547       12.72653 
1 1 1 6  25 23 o 47.56021 12.25683 23.42850       16.00393      23.26556       27.65087      23.59853       16.12436      49.02441 19.28069 46.09601 15.13851 2.928398       24.51366 
1 1 1 6  25 24 o 86.11646 4.396408 75.80434       7.530843      79.70082       9.691620      71.90786       11.51943      88.53626 5.473249 83.69665 6.881653 4.839615       8.792815 
1 1 1 6  25 25 o 79.97952 4.176075 65.22007       6.665114      66.65115       8.593520      63.78901       10.18754      81.00507 5.304311 78.95398 6.451566 2.051086       8.352151 
1 1 1 6  25 26 o 68.21933 4.604908 48.01886       6.227291      54.34534       8.685618      41.69239       8.926493      72.88151 5.958726 63.55716 7.022414 9.324352       9.209816 
1 1 1 6  25 27 o 70.82767 4.137937 51.46902       5.838351      54.32409       7.856731      48.60688       8.636027      72.92925 5.386542 68.72609 6.282932 4.203163       8.275873 
1 1 1 6  25 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  25 29 o 59.69855 4.672025 37.32832       5.582600      31.75989       7.410406      42.90384       8.345562      55.17926 6.714848 64.21784 6.497854 -9.038586      9.344050 
1 1 1 6  25 30 o 55.32008 5.041807 32.45417       5.531591      35.33757       7.445828      29.56369       8.182618      58.08000 6.409976 52.56015 7.784052 5.519855       10.08361 
1 1 1 6  25 31 o 77.84026 3.828141 63.56229       5.970123      55.77641       7.927575      71.34109       8.926493      73.04909 5.426198 82.63142 5.401392 -9.582329      7.656281 
1 1 1 6  25 32 o 57.36623 5.324584 36.12396       6.073557      38.33433       8.140111      33.90651       9.011506      59.57524 6.831791 55.15721 8.168929 4.418030       10.64917 
1 1 1 6  25 33 f 26.42430 7.386172 8.104689       6.223749      10.38590       7.076016      5.818514       10.24421      27.89750 9.981698 24.95110 10.88980 2.946394       14.77234 
1 1 1 6  25 34 o 31.21077 7.087853 12.91508       5.114314      11.07310       5.841893      14.74997       8.395153      29.65982 9.034996 32.76172 10.92335 -3.101902      14.17571 
1 1 1 6  25 35 o 47.69883 5.145265 27.05577       4.640359      34.57953       6.711873      19.53910       6.410780      55.73797 6.020916 39.65969 8.345272 16.07828       10.29053 
1 1 1 6  25 36 o 32.44498 5.991651 14.20446       4.247877      8.083434       5.989960      20.31840       6.025383      24.59536 9.137043 40.29459 7.753319 -15.69922      11.98330 
1 1 1 6  25 37 f 20.02659 5.803743 0.5043468      5.180908      -6.244294      9.287803      7.254546       4.595727      17.13383 8.352969 22.91935 8.059877 -5.785511      11.60749 
1 1 1 6  26 0  o 45.93737 9.630101 23.77564       7.792970      23.77564       7.792970      23.77564       7.792970      45.93737 9.630101 45.93737 9.630101 0.000000       0.000000 
1 1 1 6  26 1  o 102.9460 3.142205 106.3386       6.469582      111.0852       9.238212      101.5920       9.054014      105.2484 4.388768 100.6436 4.498059 4.604790       6.284411 
1 1 1 6  26 2  o 131.7309 2.807145 173.9958       7.396237      165.9194       10.30089      182.1430       10.61261      128.6566 4.003249 134.8053 3.936274 -6.148636      5.614290 
1 1 1 6  26 3  o 160.2875 2.694560 257.5931       8.636027      268.0073       12.36248      247.1788       12.06493      163.5318 3.779841 157.0432 3.841279 6.488602       5.389121 
1 1 1 6  26 4  o 172.5323 2.870130 298.5416       9.918325      306.9013       14.76414      290.1110       13.24096      174.9409 4.219748 170.1237 3.891568 4.817200       5.740259 
1 1 1 6  26 5  o 211.5283 3.768336 449.5835       15.95433      441.2946       21.32440      457.8724       23.74022      209.6222 5.086389 213.4343 5.561481 -3.812164      7.536672 
1 1 1 6  26 6  o 133.8190 3.992520 180.1593       10.64095      189.4400       14.16195      170.9494       15.89057      137.3161 5.156698 130.3218 6.096666 6.994263       7.985041 
1 1 1 6  26 7  o 39.97212 8.518511 16.13144       7.622942      19.99251       9.734127      12.27038       11.73196      43.38606 11.15717 36.55819 12.87547 6.827873       17.03702 
1 1 1 6  26 8  o 125.0483 4.284673 157.5597       10.71179      161.5978       14.91999      153.5215       15.36632      126.6767 5.889007 123.4200 6.225215 3.256676       8.569346 
1 1 1 6  26 9  o 174.3383 2.728636 304.9177       9.514507      304.1384       13.21971      305.6970       13.68729      174.1245 3.796051 174.5520 3.920691 -0.4274750     5.457273 
1 1 1 6  26 10 o 143.7041 3.048941 207.4347       8.749379      200.8461       12.93633      214.0233       11.77447      141.3832 4.574917 146.0250 4.031662 -4.641785      6.097882 
1 1 1 6  26 11 o 172.2651 2.734319 297.8331       9.422408      295.2827       13.11344      300.3127       13.53143      171.5446 3.822168 172.9856 3.911144 -1.441040      5.468639 
1 1 1 6  26 12 o 106.8939 3.178113 114.9109       6.783425      121.7120       9.535762      108.1097       9.649114      110.0782 4.331357 103.7097 4.651984 6.368546       6.356226 
1 1 1 6  26 13 o 61.50796 4.714345 38.40517       5.764672      43.10221       8.154280      33.70813       8.154280      65.32619 6.241203 57.68972 7.067359 7.636475       9.428689 
1 1 1 6  26 14 o 157.7053 2.754871 249.8001       8.692703      249.2334       12.18537      250.3669       12.39082      157.5314 3.867601 157.8792 3.924146 -0.3478394     5.509742 
1 1 1 6  26 15 o 46.92294 5.867062 23.03885       5.331808      27.30373       7.594603      18.76689       7.488335      51.83905 7.325177 42.00683 9.166866 9.832214       11.73412 
1 1 1 6  26 16 o 75.79636 3.887273 58.29142       5.880150      49.58454       7.941744      66.99120       8.678535      70.08492 5.665802 81.50780 5.323745 -11.42288      7.774546 
1 1 1 6  26 17 o 128.7869 2.910489 166.8404       7.495420      164.6442       10.51342      169.0366       10.69054      127.9406 4.108714 129.6333 4.123377 -1.692680      5.820977 
1 1 1 6  26 18 o 63.70781 4.760124 43.06678       5.629357      60.81350       7.913406      25.32715       8.005506      77.63817 5.096338 49.77744 8.041298 27.86073       9.520248 
1 1 1 6  26 19 o 38.70909 7.004076 16.18812       5.493335      13.07802       7.311223      19.30531       8.196787      35.04110 9.960450 42.37709 9.849758 -7.335995      14.00815 
1 1 1 6  26 20 o 28.93881 7.343014 7.134109       5.558513      10.02459       7.403321      4.238667       8.295970      31.43363 10.25782 26.44399 10.50983 4.989639       14.68603 
1 1 1 6  26 21 o 47.27129 7.034340 23.86774       6.551054      28.86232       8.798972      18.87316       9.705790      52.94350 8.309774 41.59907 11.35233 11.34444       14.06868 
1 1 1 6  26 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  26 23 f 37.89400 7.815746 15.47967       6.427783      17.97342       8.303054      12.98592       9.812057      40.48648 10.24137 35.30152 11.80923 5.184967       15.63149 
1 1 1 6  26 24 o 30.02075 7.398346 6.466748       6.259880      13.85732       7.707955      -0.9266549     9.868733      35.65739 10.25675 24.38410 10.66495 11.27329       14.79669 
1 1 1 6  26 25 o 40.16860 6.834438 17.73963       5.460038      19.22738       7.098687      16.24480       8.295970      42.08369 8.726873 38.25350 10.52045 3.830193       13.66888 
1 1 1 6  26 26 o 21.01606 6.597343 -1.848351      5.545053      -3.429615      7.608772      -0.2673697     8.069265      19.71614 8.942517 22.31598 9.702120 -2.599844      13.19469 
1 1 1 6  26 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  26 28 o 34.96695 7.070093 13.85732       5.211371      12.02951       6.962664      15.68512       7.757547      32.80661 9.837854 37.12730 10.15684 -4.320690      14.14019 
1 1 1 6  26 29 o 38.87888 6.412344 17.02410       5.239709      24.39908       7.190785      9.642029       7.622942      47.85308 7.513399 29.90467 10.39334 17.94841       12.82469 
1 1 1 6  26 30 o 33.98259 7.023885 13.60227       5.215622      16.40066       6.946370      10.81097       7.785885      37.38148 9.314318 30.58369 10.51586 6.797791       14.04777 
1 1 1 6  26 31 o 30.19535 7.526442 10.74721       5.683200      10.20170       7.474166      11.29272       8.565183      29.55125 10.28941 30.83945 10.98715 -1.288198      15.05288 
1 1 1 6  26 32 o 53.91854 6.462105 37.61171       6.337101      51.11480       8.345562      24.10153       9.542846      67.45033 6.186450 40.38675 11.34738 27.06358       12.92421 
1 1 1 6  26 33 o 26.73061 6.639454 8.565183       4.745210      2.591516       6.060097      14.54451       7.304138      20.35268 8.613767 33.10855 10.10606 -12.75587      13.27891 
1 1 1 6  26 34 o 65.94468 3.913076 48.33767       5.173115      36.23022       6.496503      60.43802       8.055097      57.42927 5.656090 74.46009 5.409003 -17.03082      7.826153 
1 1 1 6  26 35 o 27.07338 6.656273 10.03876       4.650986      11.06602       5.444452      9.011506       7.545012      28.64764 8.721364 25.49913 10.05792 3.148514       13.31255 
1 1 1 6  26 36 o 66.74541 3.897233 51.11480       5.202870      50.32842       7.212039      51.90118       7.502505      66.35037 5.434814 67.14046 5.587171 -0.7900848     7.794465 
1 1 1 6  27 0  o 76.78673 5.618928 60.09089       8.536844      60.09089       8.536844      60.09089       8.536844      76.78673 5.618928 76.78673 5.618928 0.000000       0.000000 
1 1 1 6  27 1  o 47.65459 6.477586 23.88191       6.091977      17.76089       7.842561      30.00293       9.323226      40.94375 9.711485 54.36544 8.574588 -13.42170      12.95517 
1 1 1 6  27 2  o 28.58104 7.601193 6.120315       6.009089      3.016588       7.899237      9.224042       9.054014      25.20467 10.16384 31.95741 11.30526 -6.752741      15.20239 
1 1 1 6  27 3  o 121.7147 3.405340 148.9166       8.295970      143.8866       11.29981      153.9466       12.14995      119.6701 4.721231 123.7593 4.908700 -4.089188      6.810679 
1 1 1 6  27 4  o 58.67745 5.759351 35.74139       6.424241      43.07387       8.784801      28.40891       9.379901      65.31046 6.725418 52.04445 9.351429 13.26601       11.51870 
1 1 1 6  27 5  o 37.35265 6.054427 14.33198       5.221290      1.973038       7.162447      26.68738       7.601687      23.35867 9.582794 51.34663 7.402324 -27.98796      12.10885 
1 1 1 6  27 6  o 112.5072 3.357447 127.3088       7.580434      134.8184       11.49109      119.8700       9.882903      115.7851 4.962249 109.2293 4.523923 6.555748       6.714894 
1 1 1 6  27 7  o 119.3306 3.220704 143.1073       7.672533      146.5787       10.13795      139.6358       11.51943      120.8217 4.195415 117.8395 4.887763 2.982239       6.441408 
1 1 1 6  27 8  o 131.8444 3.134468 174.6334       8.267632      175.2001       12.27038      174.0666       11.08019      132.0284 4.646874 131.6605 4.207864 0.3679199      6.268936 
1 1 1 6  27 9  o 225.0470 3.158518 508.9517       14.21863      496.4122       19.75872      521.4914       20.45300      222.2795 4.444566 227.8145 4.488961 -5.534943      6.317035 
1 1 1 6  27 10 o 84.69975 4.272887 72.47462       7.240376      68.74816       9.946663      76.15857       10.52759      82.53479 6.025739 86.86472 6.059763 -4.329933      8.545774 
1 1 1 6  27 11 o 156.0397 3.165040 245.1243       9.875818      260.4269       14.17612      229.7509       13.74396      160.9409 4.404138 151.1385 4.546812 9.802460       6.330081 
1 1 1 6  27 12 o 150.0666 3.042524 226.7754       9.075267      244.4159       12.19245      209.1350       13.44641      155.9840 3.908240 144.1492 4.664061 11.83475       6.085048 
1 1 1 6  27 13 o 140.8635 3.224667 199.7126       9.075267      208.7807       12.82298      190.7152       12.85132      144.0707 4.450239 137.6563 4.667898 6.414337       6.449333 
1 1 1 6  27 14 o 32.95942 7.217585 11.10144       5.311263      13.14886       7.304138      9.046929       7.715039      35.24195 9.935831 30.67688 10.47155 4.565071       14.43517 
1 1 1 6  27 15 o 78.66491 3.868630 62.69090       6.089851      56.27941       8.225125      69.10947       8.983169      74.62377 5.511063 82.70605 5.430781 -8.082275      7.737260 
1 1 1 6  27 16 o 29.38054 7.309218 7.849646       5.394152      9.861650       7.488335      5.834100       7.771716      31.36757 10.31655 27.39351 10.35700 3.974066       14.61844 
1 1 1 6  27 17 o 62.78513 5.590460 40.53761       6.834435      46.97035       8.636027      34.10487       10.59135      68.04285 6.346022 57.52740 9.205486 10.51545       11.18092 
1 1 1 6  27 18 o 127.1647 3.114452 163.0148       7.927575      156.4261       10.73304      169.6034       11.67529      124.6151 4.306480 129.7143 4.500386 -5.099228      6.228904 
1 1 1 6  27 19 o 90.37553 4.045774 82.95970       7.325392      74.17490       9.762465      91.81535       10.92433      85.56306 5.704837 95.18801 5.738289 -9.624954      8.091547 
1 1 1 6  27 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  27 21 o 76.58767 5.149752 60.78516       7.899237      51.35567       10.37173      70.20757       11.92324      70.59363 7.346085 82.58171 7.219059 -11.98808      10.29950 
1 1 1 6  27 22 o 40.82829 7.433414 18.52601       6.252087      12.61044       8.260548      24.44159       9.386987      34.38163 10.79905 47.27494 10.21778 -12.89330      14.86683 
1 1 1 6  27 23 o 65.11345 4.924299 43.67605       6.405821      44.46952       8.713958      42.88259       9.394071      65.79611 6.621939 64.43079 7.290048 1.365326       9.848598 
1 1 1 6  27 24 o 80.94258 4.346485 67.43752       7.105771      60.56554       8.565183      74.31659       11.34231      76.99434 5.562215 84.89082 6.680530 -7.896484      8.692969 
1 1 1 6  27 25 o 24.47743 7.035925 2.788466       5.607396      -2.006335      7.204955      7.580434       8.593520      19.94547 8.886704 29.00940 10.91070 -9.063931      14.07185 
1 1 1 6  27 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  27 27 o 60.39373 4.749033 38.19972       5.749794      35.93976       7.608772      40.46677       8.621859      58.69483 6.481638 62.09263 6.942739 -3.397804      9.498066 
1 1 1 6  27 28 o 32.58070 7.326373 12.07910       5.383525      12.11453       7.169532      12.04368       8.033843      32.58701 10.02589 32.57439 10.68571 0.1261902E-01  14.65275 
1 1 1 6  27 29 o 61.01221 4.687895 39.78665       5.712955      40.52344       7.743378      39.04986       8.402238      61.78667 6.266221 60.23774 6.974231 1.548931       9.375790 
1 1 1 6  27 30 o 54.38565 6.021987 34.10487       6.551054      33.42476       9.018591      34.77790       9.507423      53.98287 8.353197 54.78844 8.676487 -0.8055687     12.04397 
1 1 1 6  27 31 o 31.40240 7.497161 13.62353       5.689576      9.344479       7.261631      17.90258       8.763549      27.19592 10.06882 35.60889 11.11074 -8.412962      14.99432 
1 1 1 6  27 32 o 46.66183 5.685879 25.89391       5.041343      31.32065       6.844352      20.46717       7.403321      53.11038 6.443517 40.21329 9.370056 12.89709       11.37176 
1 1 1 6  27 33 o 27.56725 6.723320 9.301972       4.921615      12.97175       6.111814      5.634317       7.715039      31.49174 9.157621 23.64276 9.846326 7.848978       13.44664 
1 1 1 6  27 34 o 20.65078 6.227957 2.696368       4.804011      -2.987541      6.400154      8.380984       7.162447      16.34814 7.671391 24.95341 9.813232 -8.605270      12.45591 
1 1 1 6  27 35 o 17.07643 5.357720 -2.966996      4.269130      6.096227       5.827016      -12.02951      6.241460      21.72991 8.743184 12.42295 6.194948 9.306960       10.71544 
1 1 1 6  28 0  o 141.1092 5.812602 200.9169       16.34398      200.9169       16.34398      200.9169       16.34398      141.1092 5.812602 141.1092 5.812602 0.000000       0.000000 
1 1 1 6  28 1  o 121.6268 3.531708 148.8457       8.579351      143.6032       12.49000      154.0883       11.76030      119.4502 5.228124 123.8034 4.749587 -4.353233      7.063416 
1 1 1 6  28 2  o 120.8969 3.483170 147.0037       8.416408      145.2326       12.21371      148.7749       11.59027      120.1462 5.082851 121.6475 4.763876 -1.501259      6.966340 
1 1 1 6  28 3  o 146.8703 3.287021 216.8571       9.656199      214.5900       14.10528      219.0533       13.17720      146.0849 4.827765 147.6556 4.462142 -1.570648      6.574042 
1 1 1 6  28 4  o 81.27502 4.156515 67.18248       6.823808      79.41744       10.76138      54.92627       8.395153      88.72453 6.064491 73.82552 5.685807 14.89901       8.313029 
1 1 1 6  28 5  o 106.9927 3.240244 115.1943       6.925116      123.8374       9.932493      106.6220       9.656199      111.0074 4.473799 102.9779 4.688479 8.029457       6.480487 
1 1 1 6  28 6  o 80.60253 3.784261 65.80808       6.082767      55.97477       8.267632      75.66265       8.926493      74.51889 5.547340 86.68617 5.148741 -12.16728      7.568521 
1 1 1 6  28 7  o 72.00684 4.670322 52.48919       6.745878      54.10446       10.54885      50.87392       8.409323      73.03112 7.222159 70.98254 5.923515 2.048576       9.340644 
1 1 1 6  28 8  o 143.0008 2.865544 205.5219       8.196787      197.1621       11.34940      213.9524       11.83114      140.0797 4.051051 145.9219 4.053930 -5.842255      5.731087 
1 1 1 6  28 9  o 116.5697 3.355497 136.9437       7.792970      127.9464       11.36357      145.9411       10.66928      112.6860 5.042139 120.4534 4.428801 -7.767448      6.710994 
1 1 1 6  28 10 o 165.7219 2.804044 276.0128       9.287803      284.2308       13.11344      267.7239       13.16303      168.2135 3.897856 163.2303 4.032044 4.983231       5.608089 
1 1 1 6  28 11 o 166.7661 2.835514 279.5551       9.450747      291.3862       13.43933      267.7239       13.29764      170.3091 3.945570 163.2231 4.073456 7.086060       5.671029 
1 1 1 6  28 12 o 20.84915 6.554780 -2.936532      5.554262      -5.204995      7.863815      -0.6681409     7.849646      19.49128 8.916086 22.20702 9.610616 -2.715734      13.10956 
1 1 1 6  28 13 o 30.89722 7.742895 8.763549       6.050178      6.349853       8.288886      11.17229       8.813140      28.35073 10.70277 33.44372 11.19198 -5.092985      15.48579 
1 1 1 6  28 14 o 37.24293 7.853155 14.67912       6.289635      14.53743       8.664365      14.82081       9.117774      37.04372 10.94585 37.44213 11.26394 -0.3984108     15.70631 
1 1 1 6  28 15 o 117.0221 3.660876 138.3606       8.565183      142.2571       11.94450      134.3933       12.27038      118.7176 5.030634 115.3265 5.319847 3.391129       7.321752 
1 1 1 6  28 16 o 101.8327 3.819558 104.9217       7.800055      101.5920       10.02459      108.2514       11.94450      100.2999 4.997310 103.3654 5.777802 -3.065514      7.639117 
1 1 1 6  28 17 o 36.87098 8.232969 14.36740       6.816723      12.68129       8.607689      16.05352       10.57718      34.85324 11.03526 38.88871 12.22089 -4.035469      16.46594 
1 1 1 6  28 18 o 24.10027 7.601706 -3.219205      7.481250      -5.664072      9.861650      -0.7743379     11.25021      21.97535 10.02579 26.22518 11.42923 -4.249834      15.20341 
1 1 1 6  28 19 o 86.00922 12.63155 89.54830       21.01976      83.17223       30.63345      95.92437       28.79856      81.82096 19.05703 90.19748 16.58475 -8.376518      25.26310 
1 1 1 6  28 20 o 34.10253 7.369399 10.43549       6.461080      20.52385       8.628942      0.3438116      9.613690      43.30585 10.13244 24.89920 10.70354 18.40666       14.73880 
1 1 1 6  28 21 o 79.28346 4.244047 64.26366       6.743752      59.60205       9.018591      68.93236       10.02459      76.42957 5.899937 82.13735 6.102335 -5.707787      8.488094 
1 1 1 6  28 22 o 51.57548 6.167147 28.62854       6.100478      34.58662       8.536844      22.67046       8.713958      57.77273 7.388299 45.37822 9.876633 12.39451       12.33429 
1 1 1 6  28 23 o 64.28931 4.955657 42.88967       6.371107      39.53869       8.728126      46.24065       9.287803      61.75527 7.066705 66.82334 6.949520 -5.068069      9.911314 
1 1 1 6  28 24 o 76.92876 10.19053 72.54546       14.79956      45.53928       22.45792      99.53748       19.29114      58.37000 17.70168 95.48752 10.10139 -37.11752      20.38106 
1 1 1 6  28 25 o 54.17982 5.967652 32.23455       6.036717      40.48802       8.104689      23.98109       8.954830      62.34902 6.499451 46.01063 10.01042 16.33839       11.93530 
1 1 1 6  28 26 o 35.57500 7.135797 13.07802       6.251379      22.24539       7.715039      3.904278       9.840395      44.56355 8.971357 26.58644 11.09924 17.97711       14.27159 
1 1 1 6  28 27 o 98.39445 3.477438 99.82085       6.817431      106.0552       9.309056      93.65733       9.960832      101.6453 4.579186 95.14359 5.234631 6.501717       6.954876 
1 1 1 6  28 28 o 17.16200 5.782735 -8.069265      5.470665      -11.33523      7.254546      -4.801178      8.189702      15.15810 7.388424 19.16590 8.897825 -4.007801      11.56547 
1 1 1 6  28 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  28 30 o 18.21742 6.097394 -5.174532      5.803638      -6.584351      6.863481      -3.764713      9.358648      16.07770 7.677965 20.35715 9.474265 -4.279455      12.19479 
1 1 1 6  28 31 o 31.30581 7.566560 13.26222       5.750503      10.00334       7.389152      16.52110       8.813140      28.12543 10.18652 34.48620 11.19135 -6.360769      15.13312 
1 1 1 6  28 32 o 35.71240 6.933135 17.18704       5.296385      20.00668       6.763589      14.36032       8.154280      39.77618 8.739394 31.64863 10.76552 8.127546       13.86627 
1 1 1 6  28 33 o 14.41125 4.971099 -8.012589      4.633983      -9.649114      6.495085      -6.383859      6.610563      13.74901 6.772573 15.07350 7.278707 -1.324487      9.942199 
1 1 1 6  28 34 o 24.95852 6.538517 9.238212       4.335725      8.536844       5.899278      9.939578       6.356230      24.28325 9.058347 25.63379 9.431605 -1.350540      13.07703 
1 1 1 6  29 0  o 26.90513 12.88309 10.90307       7.913406      10.90307       7.913406      10.90307       7.913406      26.90513 12.88309 26.90513 12.88309 0.000000       0.000000 
1 1 1 6  29 1  f 23.29946 6.859548 1.460828       5.294969      1.578431       7.644195      1.342516       7.325392      23.61034 9.814905 22.98858 9.585470 0.6217670      13.71910 
1 1 1 6  29 2  o 63.23563 4.561916 40.60846       5.744836      45.17089       8.147196      36.04602       8.097604      66.84074 6.094483 59.63052 6.789816 7.210228       9.123833 
1 1 1 6  29 3  f 100.5425 3.348203 101.7337       6.732417      100.5293       9.450747      103.0089       9.592437      99.93094 4.728639 101.1540 4.741501 -1.223076      6.696406 
1 1 1 6  29 4  o 31.71181 7.552891 9.705790       5.776716      6.313014       7.771716      13.10636       8.551013      27.92334 10.40081 35.50029 10.95481 -7.576950      15.10578 
1 1 1 6  29 5  o 123.0748 3.519708 152.6714       8.650196      147.2163       12.48292      158.0556       11.98701      120.8547 5.164432 125.2949 4.783516 -4.440170      7.039416 
1 1 1 6  29 6  o 80.91806 4.601568 66.29691       7.445828      67.28167       10.81097      65.31217       10.25130      81.49976 6.632519 80.33636 6.380235 1.163406       9.203135 
1 1 1 6  29 7  o 34.52288 8.016099 11.49817       6.611980      7.615856       9.826226      15.38049       8.848563      30.96067 11.66260 38.08509 11.00068 -7.124426      16.03220 
1 1 1 6  29 8  o 115.8741 3.535968 135.3143       8.189702      134.4642       12.39791      136.1644       10.70471      115.4416 5.369775 116.3066 4.601933 -0.8650742     7.071935 
1 1 1 6  29 9  o 78.75839 4.399287 62.97428       6.958413      57.64672       8.990252      68.29475       10.62678      75.46611 5.956484 82.05068 6.475740 -6.584572      8.798574 
1 1 1 6  29 10 o 41.58825 6.624983 18.61811       5.933992      6.655196       8.118857      30.58386       8.657280      28.48446 10.62644 54.69203 7.914572 -26.20757      13.24997 
1 1 1 6  29 11 o 74.39032 4.386779 56.06687       6.523424      56.47069       8.961915      55.65597       9.486169      74.69172 5.999269 74.08892 6.401882 0.6027985      8.773559 
1 1 1 6  29 12 o 23.67442 7.113891 0.5322598      5.891485      0.9471999      8.076350      0.1171071      8.579351      23.63524 9.970563 23.71359 10.14976 -0.7835197E-01 14.22778 
1 1 1 6  29 13 o 35.80840 7.339620 13.14178       5.951704      19.50368       8.147196      6.779175       8.678535      42.57194 9.770351 29.04486 10.95538 13.52708       14.67924 
1 1 1 6  29 14 o 92.24577 3.917434 86.21858       7.226208      81.33026       9.982086      91.03606       10.45675      89.64108 5.567808 94.85046 5.512229 -5.209381      7.834867 
1 1 1 6  29 15 o 157.5285 3.199276 250.4377       10.08835      237.8272       13.75105      262.9773       14.76414      153.5844 4.476709 161.4727 4.571712 -7.888351      6.398552 
1 1 1 6  29 16 o 97.48529 5.009468 98.54564       9.719957      119.6575       14.53743      77.43378       12.90091      108.1690 6.719777 86.80157 7.431264 21.36744       10.01894 
1 1 1 6  29 17 o 38.19317 16.03306 0.000000       0.000000      ?              ?             7.877984       20.71513      ?        ?        38.19317 16.03306 ?              ?        
1 1 1 6  29 18 o 69.01298 5.905856 49.93168       8.104689      39.81499       10.87473      60.04837       12.01534      61.81200 8.796620 76.21395 7.882640 -14.40195      11.81171 
1 1 1 6  29 19 o 23.01880 7.218354 -2.777131      6.731000      0.2198326E-01  8.997337      -5.576224      10.01751      23.91034 10.31771 22.12726 10.09769 1.783081       14.43671 
1 1 1 6  29 20 o 63.73453 5.657128 42.61337       6.987460      50.71098       9.089437      34.52285       10.61969      70.27426 6.467116 57.19479 9.283792 13.07947       11.31426 
1 1 1 6  29 21 o 101.1203 3.859135 104.4966       7.736294      112.2188       10.01751      96.84536       11.79572      105.0910 4.766113 97.14967 6.070902 7.941299       7.718270 
1 1 1 6  29 22 o 41.56168 6.892566 19.07152       5.994919      27.03452       8.267632      11.10852       8.685618      50.66092 8.159774 32.46244 11.11071 18.19847       13.78513 
1 1 1 6  29 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  29 24 o 39.77926 7.590548 18.20721       6.178408      17.69004       8.678535      18.72438       8.798972      39.21914 10.74895 40.33937 10.72034 -1.120228      15.18110 
1 1 1 6  29 25 o 20.79334 6.421218 -3.693159      5.613063      4.563846       7.615856      -11.95158      8.253463      25.00111 10.02198 16.58557 8.030441 8.415537       12.84244 
1 1 1 6  29 26 o 55.35891 5.662159 33.63020       6.300971      29.03235       8.083434      38.22806       9.670367      51.66227 7.823346 59.05555 8.187518 -7.393284      11.32432 
1 1 1 6  29 27 o 66.31628 5.509284 48.09679       7.311223      41.01228       9.719957      55.17422       10.91724      61.31443 7.926322 71.31812 7.653905 -10.00368      11.01857 
1 1 1 6  29 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  29 29 o 31.10189 7.868045 12.23496       6.240043      13.60227       8.628942      10.87473       9.011506      32.40797 11.07441 29.79582 11.17953 2.612143       15.73609 
1 1 1 6  29 30 o 18.39607 5.933055 -1.619521      4.842268      -2.402360      6.604896      -0.8366815     7.083100      17.64802 8.113955 19.14412 8.658424 -1.496103      11.86611 
1 1 1 6  29 31 o 20.01849 6.098855 1.340391       4.684283      5.071806       6.161405      -2.391025      7.056888      22.22872 8.971216 17.80826 8.264465 4.420458       12.19771 
1 1 1 6  29 32 o 18.57372 5.822417 0.5508212      4.458287      -4.081390      5.967289      5.183033       6.624732      15.22830 7.233122 21.91914 9.126013 -6.690842      11.64483 
1 1 1 6  29 33 o 22.56894 6.368940 7.053346       4.347060      5.680366       5.810721      8.423491       6.466748      21.24057 8.658730 23.89730 9.342377 -2.656734      12.73788 
1 1 1 6  30 0  o 109.9910 4.821719 122.1371       10.56302      122.1371       10.56302      122.1371       10.56302      109.9910 4.821719 109.9910 4.821719 0.000000       0.000000 
1 1 1 6  30 1  o 70.33397 4.406992 50.17255       6.198953      46.54528       8.529759      53.79982       8.997337      67.77957 6.292279 72.88837 6.171998 -5.108803      8.813985 
1 1 1 6  30 2  o 126.4900 3.086301 161.0311       7.807138      162.3063       11.00934      159.7559       11.07310      126.9964 4.334508 125.9836 4.394661 1.012856       6.172602 
1 1 1 6  30 3  o 61.56287 4.876570 38.87983       5.938243      46.36108       8.536844      31.39858       8.253463      67.62218 6.312163 55.50356 7.435076 12.11862       9.753140 
1 1 1 6  30 4  o 107.8417 3.377051 117.2488       7.282885      116.0444       10.19462      118.4531       10.40716      107.2923 4.750863 108.3910 4.800748 -1.098663      6.754101 
1 1 1 6  30 5  o 133.1704 3.060893 179.0966       8.133026      198.5082       11.70362      159.6142       11.29272      140.4561 4.166294 125.8848 4.485340 14.57125       6.121787 
1 1 1 6  30 6  o 70.24737 5.435478 50.39926       7.615856      47.70714       11.15103      53.09137       10.36465      68.27854 8.165839 72.21619 7.176126 -3.937653      10.87096 
1 1 1 6  30 7  o 38.84709 7.476649 16.18812       5.964456      15.63553       8.210957      16.74072       8.657280      38.20990 10.44787 39.48428 10.69781 -1.274372      14.95330 
1 1 1 6  30 8  o 33.49188 8.211750 10.61261       6.799720      13.58811       9.649114      7.644195       9.578268      36.30662 11.70298 30.67715 11.52266 5.629475       16.42350 
1 1 1 6  30 9  o 68.01041 6.216424 49.13113       7.934660      34.74956       11.23604      63.50562       11.19354      57.06565 10.21412 78.95517 7.088540 -21.88952      12.43285 
1 1 1 6  30 10 o 91.26668 4.679341 84.80168       8.543928      90.68183       12.49000      78.99238       11.66820      94.41500 6.614418 88.11835 6.620755 6.296646       9.358682 
1 1 1 6  30 11 o 44.80312 8.357498 21.86991       7.644195      20.09878       11.32106      23.64812       10.27255      42.98853 12.45150 46.61772 11.15129 -3.629185      16.71500 
1 1 1 6  30 12 o 83.09248 5.610007 72.89968       9.068183      98.04973       13.58811      47.83466       12.02243      98.07954 6.927084 68.10542 8.826336 29.97412       11.22001 
1 1 1 6  30 13 o 21.15716 7.148273 -15.86932      8.706873      -20.55219      13.70854      -11.18645      10.74013      21.49242 10.39637 20.82190 9.813598 0.6705227      14.29655 
1 1 1 6  30 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  30 15 o 36.70444 8.620468 13.39682       7.955913      4.513546       10.79680      22.27372       11.68946      28.89138 11.79440 44.51749 12.57545 -15.62611      17.24094 
1 1 1 6  30 16 o 51.11263 7.028882 28.38058       6.925824      25.97893       9.507423      30.78931       10.07418      48.84389 10.07648 53.38137 9.802310 -4.537483      14.05776 
1 1 1 6  30 17 o 101.5336 3.813959 104.8509       7.736294      106.7637       10.58427      102.8672       11.29272      102.5476 5.160663 100.5195 5.617179 2.028069       7.627918 
1 1 1 6  30 18 o 47.95336 6.800313 24.98001       6.414322      19.89333       8.791886      30.07378       9.344479      42.35300 10.43369 53.55373 8.724397 -11.20073      13.60063 
1 1 1 6  30 19 o 37.68298 7.572321 15.81973       5.990668      14.01318       8.140111      17.62628       8.791886      35.66714 10.62540 39.69883 10.79172 -4.031681      15.14464 
1 1 1 6  30 20 o 22.14838 6.926581 -2.715496      6.256337      2.555386       9.160281      -7.984251      8.522675      25.52946 10.68666 18.76730 8.815070 6.762163       13.85316 
1 1 1 6  30 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  30 22 o 41.90519 7.748069 20.31131       6.731000      25.72388       9.386987      14.89874       9.649114      47.64703 10.15199 36.16335 11.70758 11.48368       15.49614 
1 1 1 6  30 23 o 48.03510 8.272142 27.44542       7.927575      27.26122       10.05293      27.63671       12.25622      48.48109 10.65692 47.58911 12.65478 0.8919830      16.54428 
1 1 1 6  30 24 o 26.80392 7.785240 2.745251       7.275800      8.600604       8.685618      -3.107270      11.68237      29.30479 10.97944 24.30304 11.04046 5.001751       15.57048 
1 1 1 6  30 25 f 32.09950 7.624927 10.13086       7.169532      -6.094102      8.494337      26.36149       11.55485      18.93079 8.875113 45.26821 12.40123 -26.33742      15.24985 
1 1 1 6  30 26 o 21.59158 6.902891 -1.893692      6.390944      -2.668029      8.820225      -1.119354      9.245295      20.95005 9.537450 22.23311 9.981817 -1.283058      13.80578 
1 1 1 6  30 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  30 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  30 29 o 30.20623 7.249909 11.98701       5.231916      11.57610       7.190785      12.40499       7.601687      29.80666 10.10952 30.60579 10.39435 -0.7991333     14.49982 
1 1 1 6  30 30 o 27.06765 6.965171 9.797889       4.908154      10.33631       6.718248      9.259464       7.155363      27.66195 9.743188 26.47336 9.956139 1.188587       13.93034 
1 1 1 6  30 31 o 26.69735 6.825401 10.48509       4.791259      6.157155       5.673282      14.82081       7.722124      22.39715 8.751586 30.99755 10.47636 -8.600399      13.65080 
1 1 1 6  30 32 o 21.14054 6.272955 5.459329       4.534800      3.185908       6.320098      7.736294       6.504296      19.25232 8.476649 23.02876 9.249124 -3.776432      12.54591 
1 1 1 6  31 0  o 61.68344 7.420517 40.04170       8.933578      40.04170       8.933578      40.04170       8.933578      61.68344 7.420517 61.68344 7.420517 0.000000       0.000000 
1 1 1 6  31 1  o 47.30137 6.902410 24.16529       6.453288      33.41059       9.231127      14.92708       9.025676      57.12364 8.079953 37.47909 11.19318 19.64455       13.80482 
1 1 1 6  31 2  o 128.7640 3.266697 167.1946       8.416408      161.8104       11.61152      172.5080       12.18537      126.7116 4.581872 130.8163 4.657435 -4.104713      6.533395 
1 1 1 6  31 3  o 70.47325 4.653956 50.49136       6.556721      52.06412       9.287803      48.92568       9.259464      71.58482 6.487271 69.36168 6.674770 2.223137       9.307913 
1 1 1 6  31 4  o 94.13937 3.879234 89.68999       7.297054      92.87803       10.27255      86.50197       10.37173      95.83791 5.359335 92.44082 5.609932 3.397095       7.758467 
1 1 1 6  31 5  o 27.24356 7.623283 4.526299       6.214540      2.184157       8.458915      6.869148       9.103605      24.99553 10.35358 29.49159 11.19201 -4.496059      15.24657 
1 1 1 6  31 6  o 104.1441 4.225783 110.0226       8.806056      110.5185       13.53851      109.4558       11.25730      104.2655 6.492327 104.0228 5.410977 0.2426834      8.451567 
1 1 1 6  31 7  o 76.08562 4.990008 59.80750       7.410406      73.89152       10.41424      45.75182       10.55593      85.34123 6.101530 66.83001 7.897598 18.51122       9.980016 
1 1 1 6  31 8  o 59.39003 6.994444 39.47493       7.814223      20.19088       10.22296      58.75191       11.82406      43.04287 11.60843 75.73720 7.805980 -32.69433      13.98889 
1 1 1 6  31 9  o 41.72734 8.400708 18.87316       7.452912      22.55002       10.30797      15.18921       10.76847      45.39317 11.36822 38.06151 12.37139 7.331657       16.80142 
1 1 1 6  31 10 o 86.15096 5.257187 76.58364       9.018591      65.70890       12.45458      87.42295       13.04260      79.90211 7.793650 92.39980 7.057698 -12.49768      10.51437 
1 1 1 6  31 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  31 12 o 72.40692 7.196497 56.52737       9.755382      67.36668       12.46875      45.68097       15.00501      80.71007 7.724409 64.10378 12.14462 16.60629       14.39299 
1 1 1 6  31 13 o 31.27390 8.464972 7.502505       7.637110      1.994292       10.09544      13.01426       11.46984      26.51683 11.16492 36.03098 12.72665 -9.514141      16.92994 
1 1 1 6  31 14 o 77.17888 5.593479 61.76283       8.565183      55.49303       12.53251      68.02554       11.67529      73.02670 8.580773 81.33106 7.177630 -8.304359      11.18696 
1 1 1 6  31 15 o 81.37740 5.287131 68.71274       8.515590      59.42493       12.29164      78.00054       11.78864      75.61541 8.127734 87.13939 6.764242 -11.52398      10.57426 
1 1 1 6  31 16 o 62.64762 6.356729 41.31691       7.955913      40.71472       11.71071      41.92618       10.77555      62.02705 9.440001 63.26820 8.515773 -1.241146      12.71346 
1 1 1 6  31 17 o 43.62864 7.956708 21.14729       7.417490      13.32598       11.34231      28.96859       9.564099      35.79645 12.65450 51.46083 9.648856 -15.66438      15.91342 
1 1 1 6  31 18 o 82.86249 4.404754 71.05771       7.219123      80.90520       9.967916      61.16772       10.44258      88.87385 5.607902 76.85113 6.794032 12.02272       8.809508 
1 1 1 6  31 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  31 20 o 32.14362 8.277301 10.47800       7.005171      12.28455       9.231127      8.678535       10.53468      33.43512 11.45431 30.85211 11.95214 2.583002       16.55460 
1 1 1 6  31 21 o 27.27586 7.904143 4.872023       6.893944      3.881608       9.202788      5.863147       10.26547      26.11341 10.80686 28.43831 11.53749 -2.324898      15.80829 
1 1 1 6  31 22 o 36.61983 8.424425 15.80556       7.063973      15.78431       9.889987      15.82681       10.08835      36.59932 11.85321 36.64034 11.97435 -0.4102325E-01 16.84885 
1 1 1 6  31 23 o 27.28357 7.301392 6.173449       5.954537      -0.9394071     8.069265      13.28347       8.763549      21.16178 9.417317 33.40535 11.16044 -12.24356      14.60278 
1 1 1 6  31 24 o 25.33559 7.577780 3.219205       6.679992      1.231998       9.755382      5.206412       9.124859      24.29038 10.61390 26.38080 10.81833 -2.090424      15.15556 
1 1 1 6  31 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  31 26 o 52.52999 7.331981 35.59262       7.488335      47.36709       10.54885      23.81815       10.64095      63.90691 8.253292 41.15307 12.12085 22.75383       14.66396 
1 1 1 6  31 27 o 25.47305 7.152105 6.278300       5.875899      -0.9500339     7.750463      13.51017       8.827310      19.69040 8.957681 31.25571 11.15215 -11.56531      14.30421 
1 1 1 6  31 28 o 51.98105 5.676781 32.25581       5.941785      28.05469       7.495420      36.45693       9.224042      48.95231 7.655839 55.00978 8.384002 -6.057468      11.35356 
1 1 1 6  31 29 o 19.62733 6.304401 -0.7247461E-01 5.477749      2.132440       7.197870      -2.276964      8.260548      20.37846 9.000888 18.87620 8.829832 1.502268       12.60880 
1 1 1 6  31 30 o 21.78942 6.518794 4.176323       5.185159      8.699788       7.080976      -0.3490542     7.580434      24.86012 9.763375 18.71871 8.640324 6.141411       13.03759 
1 1 1 6  32 0  o 125.1813 5.220628 158.4098       13.02134      158.4098       13.02134      158.4098       13.02134      125.1813 5.220628 125.1813 5.220628 0.000000       0.000000 
1 1 1 6  32 1  o 37.48717 8.514886 14.18321       7.651280      21.62195       11.09435      6.745878       10.54176      44.38375 12.14836 30.59060 11.93442 13.79315       17.02977 
1 1 1 6  32 2  o 96.34862 4.392831 94.36578       8.465999      90.75267       11.81698      98.04973       12.12161      94.47550 6.253989 98.22174 6.170533 -3.746239      8.785663 
1 1 1 6  32 3  o 56.08852 7.091956 33.85691       7.644195      25.39800       10.83223      42.30874       10.78972      48.12725 11.41218 64.04978 8.422918 -15.92253      14.18391 
1 1 1 6  32 4  o 41.64037 8.565561 18.67479       7.885069      25.34840       11.02351      12.00826       11.27855      47.96635 11.60098 35.31440 12.60526 12.65196       17.13112 
1 1 1 6  32 5  o 47.46701 9.066444 25.54677       9.110690      16.03226       11.71071      35.05420       13.95650      38.92146 12.90129 56.01257 12.74199 -17.09111      18.13289 
1 1 1 6  32 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  32 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  32 8  o 36.97317 9.348950 11.89491       9.443663      20.50968       12.56793      3.275172       14.09819      42.84441 13.29304 31.10193 13.14940 11.74248       18.69790 
1 1 1 6  32 9  o 33.72668 8.776549 10.41424       7.870899      12.91508       11.06602      7.920490       11.18645      35.73491 12.51257 31.71846 12.31043 4.016449       17.55310 
1 1 1 6  32 10 o 97.27249 4.354367 97.55381       8.373900      117.3905       12.10744      77.71716       11.56902      107.4244 5.635329 87.12054 6.639661 20.30389       8.708734 
1 1 1 6  32 11 o 65.72986 5.734055 45.30549       7.467082      35.39425       10.08127      55.21673       11.02351      58.29547 8.646701 73.16425 7.533399 -14.86879      11.46811 
1 1 1 6  32 12 o 70.85060 5.097747 52.04995       7.169532      60.20423       10.30797      43.88859       9.975000      76.57243 6.730865 65.12877 7.657907 11.44366       10.19549 
1 1 1 6  32 13 o 94.23688 4.129368 91.17775       7.764632      78.00054       10.55593      104.4258       11.38482      87.30367 6.045526 101.1701 5.626575 -13.86640      8.258737 
1 1 1 6  32 14 o 98.12554 3.954807 98.40395       7.757547      101.1669       11.01642      95.57014       10.93141      99.54333 5.533483 96.70776 5.651776 2.835571       7.909614 
1 1 1 6  32 15 o 22.86737 7.157742 -4.522757      6.931493      -12.07910      10.50634      3.032882       9.046929      19.91565 9.508095 25.81909 10.70183 -5.903440      14.31548 
1 1 1 6  32 16 o 25.36085 7.641294 0.5042760      7.049803      5.197202       9.535762      -4.188367      10.37882      27.78139 11.18194 22.94032 10.41738 4.841072       15.28259 
1 1 1 6  32 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  32 18 o 43.97850 9.786827 23.62687       9.734127      29.00401       14.33198      18.24263       13.19137      48.45409 14.00175 39.50292 13.67768 8.951168       19.57365 
1 1 1 6  32 19 o 29.12880 8.813295 2.750918       9.344479      8.976085       13.67312      -3.476373      12.73088      32.80498 13.31282 25.45263 11.55272 7.352356       17.62659 
1 1 1 6  32 20 o 38.72914 8.162591 17.65462       7.169532      10.41424       9.996255      24.88791       10.28672      31.65355 11.79469 45.80473 11.28702 -14.15118      16.32518 
1 1 1 6  32 21 o 57.79131 6.801950 38.38392       7.410406      29.54244       10.93850      47.23248       10.01042      49.42292 11.30626 66.15970 7.565350 -16.73677      13.60390 
1 1 1 6  32 22 o 28.91391 7.926801 7.417490       6.923699      2.672280       10.47092      12.17120       9.061099      25.66134 11.10265 32.16648 11.31671 -6.505146      15.85360 
1 1 1 6  32 23 o 41.86136 8.117612 23.05302       7.003754      21.82031       9.479085      24.28573       10.31506      40.92451 11.24149 42.79821 11.71373 -1.873699      16.23522 
1 1 1 6  32 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  32 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  32 26 o 44.49434 7.359871 25.90808       6.450453      23.97401       8.664365      27.84924       9.557014      42.95549 10.21976 46.03318 10.59374 -3.077690      14.71974 
1 1 1 6  32 27 o 25.85629 7.585911 8.033843       6.443369      8.522675       9.549930      7.545012       8.657280      26.32678 10.95888 25.38579 10.49224 0.9409943      15.17182 
1 1 1 6  32 28 o 42.66505 7.313612 26.53860       6.339935      32.63129       8.735210      20.43883       9.195704      49.62199 9.144754 35.70811 11.41618 13.91388       14.62722 
1 1 1 6  32 29 o 20.65099 6.531850 3.266671       5.555679      3.195117       7.587519      3.337516       8.118857      20.46626 9.119140 20.83573 9.354227 -0.3694630     13.06370 
1 1 1 6  33 0  o 37.40784 15.33755 20.47426       11.27147      20.47426       11.27147      20.47426       11.27147      37.40784 15.33755 37.40784 15.33755 0.000000       0.000000 
1 1 1 6  33 1  o 46.49101 8.452559 24.17237       7.920490      22.41541       11.11561      25.93642       11.28564      44.77248 12.11801 48.20955 11.78715 -3.437065      16.90512 
1 1 1 6  33 2  o 74.81276 5.467533 57.80258       8.182618      58.21348       11.54776      57.39876       11.59027      75.08952 7.689332 74.53600 7.774949 0.5535202      10.93507 
1 1 1 6  33 3  o 69.02869 5.799592 49.40034       8.012589      48.74857       10.95975      50.05212       11.68237      68.63737 7.983805 69.42001 8.414268 -0.7826309     11.59918 
1 1 1 6  33 4  o 28.42705 7.552387 0.5673990      7.240376      15.59302       10.27963      -14.45950      10.19462      37.99196 12.06259 18.86214 9.091106 19.12982       15.10477 
1 1 1 6  33 5  o 79.67419 5.594688 66.24732       8.997337      78.85069       14.16904      53.66523       11.10144      87.24578 8.120184 72.10262 7.698361 15.14317       11.18938 
1 1 1 6  33 6  o 105.4013 4.104274 113.2106       8.650196      110.4476       12.13578      115.9027       12.33415      104.1233 5.827600 106.6793 5.780946 -2.556007      8.208549 
1 1 1 6  33 7  o 37.26699 8.689716 14.72871       7.559181      13.39682       11.10852      16.06769       10.25130      36.14524 12.54800 38.38875 12.02466 -2.243511      17.37943 
1 1 1 6  33 8  o 80.43175 4.865645 66.79284       7.778800      75.66265       11.05185      57.92301       10.94558      85.93483 6.430366 74.92867 7.303999 11.00616       9.731291 
1 1 1 6  33 9  o 30.74505 8.111528 8.033843       6.864190      11.79572       9.684536      4.275506       9.727042      33.91547 11.72171 27.57462 11.21557 6.340847       16.22306 
1 1 1 6  33 10 o 60.50132 5.983315 38.60354       7.176617      31.95118       9.967916      45.25590       10.32214      55.05274 9.053062 65.94991 7.825745 -10.89717      11.96663 
1 1 1 6  33 11 o 27.86280 7.765958 5.224123       6.497211      8.409323       9.075267      2.038924       9.294888      30.29437 11.24816 25.43123 10.71071 4.863138       15.53192 
1 1 1 6  33 12 o 27.66827 7.855502 4.337142       6.830893      7.934660       9.089437      0.7431660      10.19462      29.81158 11.21939 25.52496 10.99823 4.286621       15.71100 
1 1 1 6  33 13 o 24.66282 7.655799 -0.7026425     7.268716      -1.555052      9.840395      0.1497667      10.69054      23.70398 10.48993 25.62165 11.15376 -1.917673      15.31160 
1 1 1 6  33 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  33 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  33 16 o 26.57818 7.641686 4.019756       6.526966      0.1013086      9.089437      7.941744       9.365732      23.57508 10.27374 29.58128 11.31511 -6.006201      15.28337 
1 1 1 6  33 17 f 28.75389 7.776702 7.247461       6.427074      3.018713       8.820225      11.48400       9.351563      25.03510 10.48350 32.47268 11.48933 -7.437584      15.55340 
1 1 1 6  33 18 o 35.86575 7.463465 14.19737       6.417156      23.27973       8.933578      5.119273       9.209873      44.89001 10.18247 26.84149 10.91469 18.04852       14.92693 
1 1 1 6  33 19 o 76.54277 4.849462 62.47836       7.424574      59.10613       10.20170      65.85768       10.79680      74.48009 6.848613 78.60544 6.867722 -4.125343      9.698923 
1 1 1 6  33 20 o 55.32220 6.708569 35.21006       7.190785      38.05803       9.741212      32.36208       10.57718      58.63875 8.306122 52.00566 10.53698 6.633083       13.41714 
1 1 1 6  33 21 o 55.84957 7.100278 37.39917       7.877984      28.09720       9.549930      46.70114       12.52543      48.34881 10.19441 63.35033 9.885841 -15.00153      14.20056 
1 1 1 6  33 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  33 23 o 22.26486 7.478984 -8.019674      9.103605      -12.69546      12.88674      -3.344601      12.86548      20.75667 10.04730 23.77304 11.08118 -3.016365      14.95797 
1 1 1 6  33 24 o 24.10426 7.570960 2.545467       7.445828      -0.6815306E-01 11.15103      5.159654       9.875818      23.15499 10.60257 25.05352 10.81033 -1.898529      15.14192 
1 1 1 6  33 25 o 42.41525 7.771557 25.19963       6.887568      23.64812       11.13686      26.74405       8.104689      38.80858 12.57918 46.02190 9.129772 -7.213322      15.54311 
1 1 1 6  33 26 o 27.91188 7.417299 11.04476       5.763256      15.49384       8.713958      6.604187       7.545012      31.88005 11.10913 23.94370 9.831203 7.936354       14.83460 
1 1 1 6  33 27 o 17.78341 5.789042 -4.859271      5.345269      4.026131       6.852854      -13.74396      8.203872      20.98785 9.029947 14.57897 7.246520 6.408881       11.57808 
1 1 1 6  33 28 o 18.20527 5.829174 1.041424       4.642484      3.519589       6.439118      -1.436740      6.688493      19.61026 8.595559 16.80028 7.876130 2.809980       11.65835 
1 1 1 6  34 0  o 20.84619 12.63779 5.027174       9.542846      5.027174       9.542846      5.027174       9.542846      20.84619 12.63779 20.84619 12.63779 0.000000       0.000000 
1 1 1 6  34 1  o 53.68129 6.559506 30.91683       6.852854      26.92117       9.564099      34.91959       9.819141      49.57919 9.995890 57.78338 8.496511 -8.204185      13.11901 
1 1 1 6  34 2  o 21.14498 6.880102 -6.434867      6.777050      -3.606728      9.564099      -9.259464      9.606606      22.42623 10.10631 19.86374 9.338399 2.562492       13.76020 
1 1 1 6  34 3  o 56.32496 6.673792 34.40242       7.212039      42.01119       10.24421      26.80073       10.15920      63.48811 8.067821 49.16181 10.63336 14.32629       13.34758 
1 1 1 6  34 4  o 90.32726 4.607367 83.95154       8.345562      79.27575       11.00226      88.62732       12.54668      87.90549 6.258003 92.74902 6.763781 -4.843536      9.214734 
1 1 1 6  34 5  o 55.04020 6.370193 31.97243       7.015798      30.60512       9.627860      33.33974       10.20879      53.88661 8.933443 56.19379 9.083557 -2.307182      12.74039 
1 1 1 6  34 6  o 38.42186 8.257361 16.45025       6.921574      14.76414       9.727042      18.13637       9.854564      36.68528 11.74266 40.15844 11.61232 -3.473167      16.51472 
1 1 1 6  34 7  o 34.34848 8.281029 12.00117       7.247461      4.211746       9.323226      19.78706       11.09435      26.98604 10.97891 41.71091 12.40021 -14.72487      16.56206 
1 1 1 6  34 8  o 62.55189 6.534379 42.42209       7.743378      33.69397       11.34231      51.15730       10.54176      55.02900 10.68714 70.07478 7.521796 -15.04577      13.06876 
1 1 1 6  34 9  o 21.47308 7.050067 -7.658363      7.360813      -5.771757      10.23004      -9.542846      10.58427      22.05527 10.12252 20.89090 9.815718 1.164366       14.10013 
1 1 1 6  34 10 o 101.2677 4.637318 106.3386       9.394071      100.1751       12.97175      112.5730       13.58811      98.29256 6.598542 104.2429 6.517523 -5.950317      9.274635 
1 1 1 6  34 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  34 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  34 13 o 22.40468 7.047490 -2.267754      6.462497      1.080389       8.990252      -5.615189      9.287803      24.07786 10.35057 20.73151 9.567345 3.346348       14.09498 
1 1 1 6  34 14 o 36.75668 8.151257 15.67095       6.672198      14.36032       9.181536      16.98867       9.684536      35.40828 11.41615 38.10508 11.63801 -2.696808      16.30251 
1 1 1 6  34 15 o 72.15187 4.933030 55.11047       7.098687      49.64830       9.946663      60.57263       10.12378      68.40228 7.270710 75.90145 6.669027 -7.499168      9.866060 
1 1 1 6  34 16 o 32.02246 7.972526 10.98809       6.533343      14.86332       9.004422      7.105771       9.472000      35.55067 11.28984 28.49426 11.25984 7.056416       15.94505 
1 1 1 6  34 17 o 44.64956 7.612470 24.54785       6.902445      16.45025       9.330310      32.64546       10.17337      36.53798 11.47716 52.76114 10.00368 -16.22316      15.22494 
1 1 1 6  34 18 o 29.07971 8.177959 7.204955       7.431659      13.65187       10.91016      0.7615856      10.10252      33.87095 12.36694 24.28847 10.70397 9.582485       16.35592 
1 1 1 6  34 19 o 24.53748 7.801994 -4.016213      8.586436      -19.50368      10.76847      11.46984       13.37557      17.16179 8.486639 31.91317 13.09433 -14.75138      15.60399 
1 1 1 6  34 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  34 21 o 27.14318 7.946594 6.818140       7.141194      2.766504       9.712874      10.86765       10.47800      24.20529 10.58362 30.08106 11.85666 -5.875771      15.89319 
1 1 1 6  34 22 o 28.93398 7.675998 10.83931       6.124566      13.31181       8.473083      8.359732       8.848563      31.14161 10.94466 26.72635 10.76561 4.415255       15.35200 
1 1 1 6  34 23 o 22.21492 6.688566 3.007378       5.384233      -1.724372      7.112856      7.736294       8.083434      18.51765 8.474449 25.91220 10.35043 -7.394554      13.37713 
1 1 1 6  34 24 o 23.32992 6.811896 3.613812       5.790176      9.649114       7.183701      -2.422905      9.082352      26.89882 10.00350 19.76103 9.248659 7.137789       13.62379 
1 1 1 6  34 25 o 29.66370 7.719010 13.82898       6.102604      14.87040       8.161365      12.79464       9.075267      30.88379 10.75216 28.44361 11.07807 2.440184       15.43802 
1 1 1 6  34 26 o 20.74816 6.635970 2.923780       5.932575      3.356645       8.104689      2.490916       8.664365      20.82968 9.348916 20.66665 9.420307 0.1630287      13.27194 
1 1 1 6  35 0  o 14.13490 9.816566 -5.683908      9.075267      -5.683908      9.075267      -5.683908      9.075267      14.13490 9.816566 14.13490 9.816566 0.000000       0.000000 
1 1 1 6  35 1  o 64.97861 5.809962 45.01502       7.424574      34.85583       10.30089      55.18131       10.69054      57.22121 9.000937 72.73600 7.348863 -15.51479      11.61992 
1 1 1 6  35 2  o 53.52995 6.940821 31.51194       7.219123      26.15604       10.15920      36.87492       10.25130      48.10655 10.82160 58.95334 8.694416 -10.84679      13.88164 
1 1 1 6  35 3  f 119.2148 3.713651 145.4451       8.848563      138.2898       12.49000      152.6005       12.53251      116.2184 5.373508 122.2112 5.127399 -5.992851      7.427302 
1 1 1 6  35 4  o 40.70012 7.803229 13.14886       9.082352      -8.628942      14.45242      34.91959       10.99517      25.43087 11.81163 55.96936 10.20034 -30.53849      15.60646 
1 1 1 6  35 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  35 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  35 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  35 8  o 74.31730 6.260667 59.60205       9.309056      59.21948       12.79464      59.99170       13.51726      74.21909 8.619508 74.41551 9.082286 -0.1964264     12.52133 
1 1 1 6  35 9  o 29.09792 7.885035 6.485876       6.826642      -0.3661279     9.224042      13.34015       10.06710      23.44827 10.28274 34.74758 11.95661 -11.29931      15.77007 
1 1 1 6  35 10 o 54.13097 6.658666 32.35499       7.066806      28.43725       9.500339      36.27273       10.46383      50.33144 9.787016 57.93049 9.031369 -7.599056      13.31733 
1 1 1 6  35 11 o 49.50949 6.950551 27.71463       6.752253      32.54628       9.677451      22.89008       9.415324      54.71698 8.843188 44.30201 10.72561 10.41497       13.90110 
1 1 1 6  35 12 o 45.79344 7.445329 24.53369       6.751545      30.01002       9.358648      19.06444       9.734127      51.60144 9.417645 39.98544 11.53428 11.61600       14.89066 
1 1 1 6  35 13 o 46.62598 7.556362 25.67429       6.952037      20.43883       9.705790      30.90266       9.953747      41.29945 11.38864 51.95251 9.934455 -10.65305      15.11272 
1 1 1 6  35 14 o 56.12562 6.270521 35.08961       7.035635      35.74848       9.783719      34.43076       10.10961      56.81715 8.609829 55.43409 9.118585 1.383064       12.54104 
1 1 1 6  35 15 o 30.88727 8.440267 8.891070       8.083434      -2.116146      10.26547      19.89333       12.48292      22.84324 10.36984 38.93130 13.31986 -16.08806      16.88053 
1 1 1 6  35 16 o 34.33609 9.115496 13.84315       8.494337      12.00117       11.17229      15.68512       12.80881      32.73647 12.40587 35.93571 13.35902 -3.199242      18.23099 
1 1 1 6  35 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  35 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  35 19 o 37.54883 8.097372 18.90149       6.689201      21.10478       9.351563      16.69821       9.564099      39.90451 11.23993 35.19316 11.65906 4.711349       16.19474 
1 1 1 6  35 20 o 24.15687 7.017006 3.083182       6.129525      -5.345269      8.919409      11.51234       8.409323      18.85859 8.904388 29.45514 10.84737 -10.59655      14.03401 
1 1 1 6  35 21 o 17.96710 5.938605 -4.096268      5.358021      -6.873399      7.516674      -1.319137      7.637110      16.58885 7.948964 19.34536 8.825084 -2.756506      11.87721 
1 1 1 6  35 22 o 24.58342 6.802544 5.707288       5.442327      -1.811511      7.594603      13.22680       7.792970      18.67403 8.630630 30.49281 10.51716 -11.81878      13.60509 
1 1 1 6  35 23 o 26.85703 7.016483 9.627860       5.374315      14.43825       7.282885      4.815347       7.906322      31.33279 10.17400 22.38128 9.665089 8.951513       14.03297 
1 1 1 6  35 24 o 19.14380 6.066002 0.5058346      5.005920      -5.181617      6.812472      6.193285       7.339560      15.63557 7.510335 22.65203 9.527874 -7.016457      12.13200 
1 1 1 6  36 0  o 53.96534 14.93913 37.37791       13.92816      37.37791       13.92816      37.37791       13.92816      53.96534 14.93913 53.96534 14.93913 0.000000       0.000000 
1 1 1 6  36 1  o 85.11330 5.338499 76.72533       9.025676      86.99788       12.81589      66.41736       12.70963      91.13926 7.030940 79.08735 8.035182 12.05191       10.67700 
1 1 1 6  36 2  o 30.40670 8.513226 7.743378       7.672533      6.957705       10.54176      8.529759       11.15103      29.62317 11.82399 31.19024 12.25126 -1.567076      17.02645 
1 1 1 6  36 3  o 39.00288 8.539341 16.90366       8.196787      5.246085       11.22188      28.56478       11.94450      28.91671 11.94828 49.08905 12.20328 -20.17234      17.07868 
1 1 1 6  36 4  o 41.11058 8.634336 20.35382       8.097604      30.64054       12.68129      10.07418       10.06001      50.52690 12.58214 31.69427 11.82780 18.83263       17.26867 
1 1 1 6  36 5  o 26.64843 7.542408 3.154736       6.664406      -4.579432      9.429493      10.88890       9.422408      21.28679 9.748262 32.01006 11.51187 -10.72327      15.08482 
1 1 1 6  36 6  o 49.18088 7.810844 28.35224       7.523758      31.54028       10.09544      25.16421       11.16520      52.66692 9.947253 45.69484 12.04530 6.972084       15.62169 
1 1 1 6  36 7  o 23.23571 7.220409 -1.323388      6.675033      4.065096       9.557014      -6.711164      9.323226      26.39525 10.97362 20.07617 9.387056 6.319075       14.44082 
1 1 1 6  36 8  o 40.68368 8.083455 19.75164       6.947078      15.61428       9.656199      23.89608       9.989170      36.43176 11.70368 44.93561 11.15316 -8.503853      16.16691 
1 1 1 6  36 9  o 22.84738 7.161935 -1.131397      6.579392      1.406277       9.259464      -3.668363      9.344479      24.22588 10.46056 21.46887 9.785192 2.757011       14.32387 
1 1 1 6  36 10 o 30.19862 7.599882 7.226208       6.886859      -5.290009      9.266549      19.73747       10.18754      20.43265 9.477774 39.96458 11.88296 -19.53193      15.19976 
1 1 1 6  36 11 o 22.98947 7.443252 -6.727458      8.225125      2.762962       10.86765      -16.21646      12.34123      26.02986 11.28721 19.94908 9.706018 6.080778       14.88650 
1 1 1 6  36 12 o 40.00442 9.197918 20.50259       8.756464      25.17838       11.56193      15.81973       13.14178      44.22257 12.51134 35.78627 13.48604 8.436295       18.39584 
1 1 1 6  36 13 o 33.10167 9.040101 12.22788       8.529759      11.38482       11.04476      13.07802       13.00009      32.17768 12.29358 34.02567 13.25751 -1.847984      18.08020 
1 1 1 6  36 14 o 30.10458 14.55216 10.30797       26.68029      10.30797       26.68029      ?              ?             30.10458 14.55216 ?        ?        ?              ?        
1 1 1 6  36 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  36 16 o 28.32060 7.900706 8.976085       6.794761      13.03551       9.493254      4.918072       9.727042      31.39832 11.52894 25.24289 10.80593 6.155424       15.80141 
1 1 1 6  36 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  36 18 o 35.74655 7.729468 17.44917       6.040260      16.76905       8.345562      18.13637       8.735210      35.13971 10.81812 36.35339 11.04296 -1.213684      15.45894 
1 1 1 6  36 19 o 17.99572 5.971457 -3.951036      5.460038      -4.519922      7.601687      -3.382149      7.842561      17.59626 8.282442 18.39518 8.604323 -0.7989178     11.94291 
1 1 1 6  36 20 o 25.61892 7.086560 7.920490       5.486959      3.455828       7.537927      12.38374       7.977167      21.75149 9.415729 29.48634 10.59346 -7.734842      14.17312 
1 1 1 6  36 21 o 22.95835 6.823577 5.861730       5.318347      5.814972       7.396237      5.908488       7.644195      22.87442 9.590323 23.04229 9.709299 -0.1678677     13.64715 
1 1 1 6  36 22 o 23.38966 6.831992 7.055471       5.191535      6.828058       7.297054      7.282885       7.382068      23.19697 9.612905 23.58235 9.710638 -0.3853722     13.66398 
1 1 1 6  36 23 o 20.00565 6.087881 1.635815       5.000961      -6.996669      7.058305      10.26547       7.084518      14.82116 7.235584 25.19015 9.792624 -10.36899      12.17576 
1 1 1 6  37 0  o 19.85884 12.39312 4.329349       9.755382      4.329349       9.755382      4.329349       9.755382      19.85884 12.39312 19.85884 12.39312 0.000000       0.000000 
1 1 1 6  37 1  o 26.32182 7.948281 2.652443       7.530843      6.944952       10.99517      -1.640774      10.30089      29.19942 11.90823 23.44422 10.53066 5.755207       15.89656 
1 1 1 6  37 2  o 42.68067 8.600064 22.72005       8.182618      12.90799       11.17229      32.53210       11.95867      33.72135 12.48827 51.63999 11.82741 -17.91864      17.20013 
1 1 1 6  37 3  o 34.32841 8.537303 10.56302       8.813140      -7.053346      11.49109      28.18221       13.36848      22.18153 10.38537 46.47530 13.55309 -24.29377      17.07461 
1 1 1 6  37 4  o 31.17299 8.687406 9.918325       7.998421      8.487252       11.14395      11.35648       11.46275      30.06316 12.09319 32.28283 12.47553 -2.219666      17.37481 
1 1 1 6  37 5  o 34.11908 8.582207 12.49709       8.239295      1.062678       11.22896      23.93150       12.06493      25.43947 11.23848 42.79869 12.97357 -17.35922      17.16441 
1 1 1 6  37 6  o 26.59837 7.806670 4.978291       6.885443      7.112856       9.542846      2.846559       9.925409      27.93707 11.21033 25.25966 10.86761 2.677416       15.61334 
1 1 1 6  37 7  o 49.10958 8.988720 31.17896       8.919409      29.87541       11.84531      32.48960       13.34015      48.49580 12.21147 49.72336 13.19349 -1.227566      17.97744 
1 1 1 6  37 8  o 22.68553 7.517724 -7.155363      8.536844      -13.42516      10.74721      -0.8798972     13.26930      19.07475 9.223144 26.29630 11.87427 -7.221554      15.03545 
1 1 1 6  37 9  o 17.54649 6.183105 -28.07594      8.820225      -19.07861      11.18645      -37.07328      13.63770      18.00890 8.870694 17.08409 8.615912 0.9248161      12.36621 
1 1 1 6  37 10 f 27.55945 8.481804 6.022548       8.919409      11.25730       12.78047      0.7863815      12.44041      30.32481 12.65383 24.79410 11.29799 5.530712       16.96361 
1 1 1 6  37 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  37 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  37 13 o 22.42337 7.124137 -0.5618023     6.795470      3.547926       9.457831      -4.671531      9.762465      24.40795 10.55600 20.43880 9.569958 3.969152       14.24827 
1 1 1 6  37 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  37 15 o 30.37010 7.796109 12.24205       6.230125      15.12545       8.685618      9.365732       8.940661      33.05771 11.11072 27.68249 10.93934 5.375225       15.59222 
1 1 1 6  37 16 o 23.95130 6.992733 4.194035       5.802928      -2.063012      8.026759      10.44966       8.380984      19.41557 8.934246 28.48704 10.75976 -9.071468      13.98547 
1 1 1 6  37 17 o 19.50640 6.231678 -1.982248      5.494043      4.976873       7.856731      -8.940661      7.686701      23.18861 9.810625 15.82419 7.686797 7.364427       12.46336 
1 1 1 6  37 18 o 23.12771 6.922284 5.396277       5.535842      5.112188       7.693786      5.680366       7.962997      22.85264 9.690406 23.40278 9.887774 -0.5501442     13.84457 
1 1 1 6  37 19 o 22.34990 6.713408 4.719706       5.404778      0.5712955      7.545012      8.869816       7.736294      19.38325 8.823347 25.31654 10.12067 -5.933292      13.42682 
1 1 1 6  37 20 o 17.29182 5.745441 -2.375439      5.129899      -2.449118      7.176617      -2.301051      7.332476      17.18169 8.075729 17.40195 8.174532 -0.2202606     11.49088 
1 1 1 6  38 0  o 28.74941 14.97808 14.99793       11.10144      14.99793       11.10144      14.99793       11.10144      28.74941 14.97808 28.74941 14.97808 0.000000       0.000000 
1 1 1 6  38 1  o 18.41401 6.344560 -14.25405      7.580434      -15.51509      10.79680      -12.98592      10.64095      18.14412 8.878205 18.68389 9.065939 -0.5397701     12.68912 
1 1 1 6  38 2  f 32.67452 9.168627 14.18321       9.082352      13.49601       11.07310      14.87040       14.39574      32.10217 12.29637 33.24687 13.60346 -1.144699      18.33725 
1 1 1 6  38 3  o 31.23687 10.42793 14.90582       16.91783      27.21163       27.99093      2.605685       19.01485      34.88625 16.29365 27.58750 13.01859 7.298754       20.85586 
1 1 1 6  38 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  38 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  38 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  38 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  38 8  o 26.26008 8.009910 4.446243       8.253463      14.26822       11.51943      -5.377149      11.82406      31.16946 12.38555 21.35069 10.16035 9.818764       16.01982 
1 1 1 6  38 9  o 25.69969 7.609195 -1.419737      7.877984      -18.47642      11.03059      15.63553       11.23604      17.49603 8.636751 33.90335 12.53020 -16.40732      15.21839 
1 1 1 6  38 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  38 11 o 28.86204 7.605957 9.124859       6.745169      -1.288674      9.344479      19.53910       9.734127      21.04111 9.664367 36.68298 11.74744 -15.64187      15.21191 
1 1 1 6  38 12 o 28.70919 7.282346 9.054014       6.056554      17.52001       8.522675      0.5851103      8.607689      35.88694 10.90909 21.53145 9.649974 14.35549       14.56469 
1 1 1 6  38 13 o 63.90030 5.345606 47.77090       6.713998      58.87943       9.797889      36.66238       9.181536      72.27574 6.778130 55.52486 8.267949 16.75088       10.69121 
1 1 1 6  38 14 o 21.58288 6.756615 1.797342       5.882984      -1.596850      8.331393      5.190826       8.310139      19.58777 9.047844 23.57799 10.03713 -3.990215      13.51323 
1 1 1 6  38 15 o 29.32378 7.642648 12.51126       5.971540      14.72163       8.508506      10.30089       8.380984      31.37502 10.97315 27.27254 10.64097 4.102484       15.28530 
1 1 1 6  38 16 o 35.60766 7.280157 18.73855       5.644944      22.74839       7.906322      14.72871       8.062181      40.25832 9.879896 30.95700 10.69534 9.301315       14.56031 
1 1 1 6  38 17 o 20.38606 6.443540 2.337182       5.420364      0.5446577      7.622942      4.128857       7.707955      19.27945 8.802222 21.49268 9.412637 -2.213228      12.88708 
1 1 1 6  38 18 o 18.54632 6.033547 0.2723997      5.204995      2.198326       7.261631      -1.653526      7.459997      19.49183 8.793847 17.60080 8.263353 1.891031       12.06709 
1 1 1 6  39 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  39 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  39 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  39 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  39 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 6  39 5  o 30.73452 7.701030 11.70362       6.700537      20.64428       9.394071      2.763670       9.557014      38.14030 11.42515 23.32874 10.32905 14.81156       15.40206 
1 1 1 6  39 6  o 21.47392 6.920432 -1.369437      6.760755      -4.795510      10.23004      2.055927       8.841478      20.43202 9.614587 22.51583 9.956366 -2.083811      13.84086 
1 1 1 6  39 7  f 24.73344 7.357759 4.955620       6.327183      1.083931       8.876901      8.827310       9.018591      22.05337 9.843894 27.41351 10.93820 -5.360134      14.71552 
1 1 1 6  39 8  o 32.83253 7.909844 15.02626       6.246420      13.34015       8.600604      16.70529       9.061099      31.23501 11.02170 34.43007 11.34834 -3.195059      15.81969 
1 1 1 6  39 9  o 26.49400 7.377734 7.275800       6.305221      -0.2773589     8.862731      14.82790       8.969000      20.92305 9.534591 32.06494 11.26123 -11.14189      14.75547 
1 1 1 6  39 10 o 22.96309 7.074646 3.659862       6.198245      1.373688       9.160281      5.946036       8.345562      21.79320 9.852048 24.13299 10.15577 -2.339787      14.14929 
1 1 1 6  39 11 o 19.59540 6.501637 -2.942200      6.484459      -3.371522      9.139028      -2.512878      9.202788      19.38513 9.111919 19.80567 9.276747 -0.4205379     13.00327 
1 1 1 6  39 12 o 19.05631 6.365381 -3.924114      6.470999      -0.5272298     8.855647      -7.318307      9.436578      20.15746 9.317540 17.95516 8.675008 2.202303       12.73076 
1 1 1 6  39 13 o 29.09935 7.873094 13.37557       6.625441      17.61211       9.309056      9.139028       9.429493      32.58239 11.46975 25.61632 10.78829 6.966068       15.74619 
1 1 1 6  39 14 o 19.80948 6.443031 0.5882275      5.905654      1.157610       7.736294      0.1904318E-01  8.926493      19.66756 8.947877 19.95140 9.272869 -0.2838440     12.88606 
1 1 1 6  39 15 o 20.45262 6.495237 2.444159       5.732083      5.798677       7.637110      -0.9110690     8.551013      22.06403 9.513241 18.84121 8.845942 3.222816       12.99047 
1 1 1 6  40 0  o 11.47286 8.289542 -10.35048      8.671450      -10.35048      8.671450      -10.35048      8.671450      11.47286 8.289542 11.47286 8.289542 0.000000       0.000000 
1 1 1 6  40 1  o 33.38078 7.967813 16.54235       6.317973      17.51293       9.131943      15.57177       8.735210      34.21999 11.39260 32.54157 11.14239 1.678421       15.93563 
1 1 1 6  40 2  o 18.51787 6.276159 -7.025008      6.780592      -9.153197      10.44966      -4.900361      8.643111      18.63891 9.026601 18.39683 8.722451 0.2420807      12.55232 
1 1 1 6  40 3  o 30.70477 8.105191 14.17612       6.742336      10.96683       8.912323      17.39249       10.11669      28.10134 10.97131 33.30819 11.93344 -5.206848      16.21038 
1 1 1 6  40 4  o 20.86822 6.859643 -3.472831      7.176617      -12.14995      10.01751      5.205703       10.27255      17.32536 8.497067 24.41108 10.77120 -7.085724      13.71929 
1 1 1 6  40 5  o 21.89440 7.014068 1.343933       6.693452      -1.125730      9.741212      3.813596       9.181536      20.83236 9.684047 22.95644 10.14928 -2.124075      14.02814 
1 1 1 6  40 6  o 21.53617 6.975534 -0.8551012     7.081684      -8.133026      10.15920      6.419991       9.875818      18.44835 8.928380 24.62399 10.71990 -6.175640      13.95107 
1 1 1 6  40 7  o 20.46131 6.644030 -1.007418      6.478083      -5.671157      9.967916      3.655611       8.274716      18.95103 9.098443 21.97159 9.684568 -3.020561      13.28806 
1 1 1 6  40 8  o 21.64245 6.735413 3.278006       5.772465      6.519882       8.140111      0.3642859E-01  8.182618      23.60905 9.987120 19.67584 9.039944 3.933210       13.47083 
1 1 1 6  40 9  o 22.26484 6.923760 3.587600       6.219499      11.37774       9.500339      -4.205369      8.026759      27.04985 11.05662 17.47983 8.336963 9.570024       13.84752 
1 1 1 6  40 10 o 25.91961 7.305671 9.804973       5.839768      6.264839       8.218040      13.34723       8.303054      23.04403 9.900762 28.79519 10.74552 -5.751162      14.61134 
1 1 1 6  40 11 o 23.73390 6.870549 6.828767       5.618022      13.57394       8.069265      0.8551013E-01  7.821308      28.60834 10.60955 18.85946 8.732424 9.748880       13.74110 
1 1 1 6  40 12 o 24.68107 6.735777 8.373900       5.331100      15.79847       7.523758      0.9493253      7.552096      30.64359 10.34093 18.71856 8.634120 11.92502       13.47155 
1 1 1 6  41 0  o 15.78214 10.37092 2.497293       7.941744      2.497293       7.941744      2.497293       7.941744      15.78214 10.37092 15.78214 10.37092 0.000000       0.000000 
1 1 1 6  41 1  o 20.56759 6.594805 1.992166       5.915572      -1.817887      7.913406      5.801512       8.791886      18.24120 8.554405 22.89398 10.03932 -4.652777      13.18961 
1 1 1 6  41 2  o 20.17343 6.469679 1.814345       5.689576      0.2056636      7.970083      3.422530       8.118857      19.24227 8.873460 21.10460 9.417468 -1.862328      12.93936 
1 1 1 6  41 3  o 25.12288 7.241472 9.252379       5.780259      7.523758       8.253463      10.98100       8.090520      23.74957 10.05198 26.49620 10.42657 -2.746628      14.48294 
1 1 1 6  41 4  o 17.65864 5.986909 -3.974414      6.038135      -4.447660      7.778800      -3.501168      9.231127      16.85302 8.078158 18.46426 8.838307 -1.611240      11.97382 
1 1 1 6  41 5  o 17.37712 5.781932 -2.488791      5.263797      0.5393443      7.247461      -5.517423      7.637110      18.56925 8.521526 16.18498 7.817067 2.384275       11.56386 
1 1 1 6  41 6  o 26.19695 7.111269 10.83931       5.554970      16.34398       7.998421      5.341726       7.715039      30.86969 10.65414 21.52421 9.421772 9.345480       14.22254 
1 1 1 7  0  1  o 695.7344 7.170394 4843.685       99.75002      4843.685       99.75002      4843.685       99.75002      695.7344 7.170394 695.7344 7.170394 0.000000       0.000000 
1 1 1 7  0  2  o 103.2757 1.847639 106.7637       3.813596      106.7637       3.813596      106.7637       3.813596      103.2757 1.847639 103.2757 1.847639 0.000000       0.000000 
1 1 1 7  0  3  o 549.3995 5.709365 3020.130       62.71924      3020.130       62.71924      3020.130       62.71924      549.3995 5.709365 549.3995 5.709365 0.000000       0.000000 
1 1 1 7  0  4  o 637.5800 6.590745 4067.930       84.02238      4067.930       84.02238      4067.930       84.02238      637.5800 6.590745 637.5800 6.590745 0.000000       0.000000 
1 1 1 7  0  5  o 334.2741 3.616602 1117.937       24.17237      1117.937       24.17237      1117.937       24.17237      334.2741 3.616602 334.2741 3.616602 0.000000       0.000000 
1 1 1 7  0  6  o 240.9366 2.763329 580.7888       13.31181      580.7888       13.31181      580.7888       13.31181      240.9366 2.763329 240.9366 2.763329 0.000000       0.000000 
1 1 1 7  0  7  o 240.7292 2.765712 579.7969       13.31181      579.7969       13.31181      579.7969       13.31181      240.7292 2.765712 240.7292 2.765712 0.000000       0.000000 
1 1 1 7  0  8  f 189.2265 2.365123 358.2641       8.947746      358.2641       8.947746      358.2641       8.947746      189.2265 2.365123 189.2265 2.365123 0.000000       0.000000 
1 1 1 7  0  9  o 284.8611 3.168083 811.8857       18.04427      811.8857       18.04427      811.8857       18.04427      284.8611 3.168083 284.8611 3.168083 0.000000       0.000000 
1 1 1 7  0  10 o 161.9175 2.203922 262.3397       7.134109      262.3397       7.134109      262.3397       7.134109      161.9175 2.203922 161.9175 2.203922 0.000000       0.000000 
1 1 1 7  0  11 o 497.4683 5.212832 2476.747       51.85158      2476.747       51.85158      2476.747       51.85158      497.4683 5.212832 497.4683 5.212832 0.000000       0.000000 
1 1 1 7  0  12 o 104.6603 2.024625 109.6683       4.234416      109.6683       4.234416      109.6683       4.234416      104.6603 2.024625 104.6603 2.024625 0.000000       0.000000 
1 1 1 7  0  13 o 260.3683 2.977604 678.2717       15.50093      678.2717       15.50093      678.2717       15.50093      260.3683 2.977604 260.3683 2.977604 0.000000       0.000000 
1 1 1 7  0  14 o 44.15424 4.669532 20.14837       4.041717      20.14837       4.041717      20.14837       4.041717      44.15424 4.669532 44.15424 4.669532 0.000000       0.000000 
1 1 1 7  0  15 o 361.9340 3.921717 1310.636       28.38058      1310.636       28.38058      1310.636       28.38058      361.9340 3.921717 361.9340 3.921717 0.000000       0.000000 
1 1 1 7  0  16 o 971.4861 9.971143 9450.747       193.6907      9450.747       193.6907      9450.747       193.6907      971.4861 9.971143 971.4861 9.971143 0.000000       0.000000 
1 1 1 7  0  17 o 419.0823 5.162804 1757.669       43.25806      1757.669       43.25806      1757.669       43.25806      419.0823 5.162804 419.0823 5.162804 0.000000       0.000000 
1 1 1 7  0  18 o 133.8474 2.225486 179.3091       5.953829      179.3091       5.953829      179.3091       5.953829      133.8474 2.225486 133.8474 2.225486 0.000000       0.000000 
1 1 1 7  0  19 o 164.9191 3.517490 272.3997       11.59027      272.3997       11.59027      272.3997       11.59027      164.9191 3.517490 164.9191 3.517490 0.000000       0.000000 
1 1 1 7  0  20 o 121.5727 2.478647 147.9956       6.021132      147.9956       6.021132      147.9956       6.021132      121.5727 2.478647 121.5727 2.478647 0.000000       0.000000 
1 1 1 7  0  21 o 608.7855 6.372898 3709.454       77.57547      3709.454       77.57547      3709.454       77.57547      608.7855 6.372898 608.7855 6.372898 0.000000       0.000000 
1 1 1 7  0  22 o 185.1229 3.007826 343.0323       11.12978      343.0323       11.12978      343.0323       11.12978      185.1229 3.007826 185.1229 3.007826 0.000000       0.000000 
1 1 1 7  0  23 o 50.78228 3.949783 26.26231       3.963788      26.26231       3.963788      26.26231       3.963788      50.78228 3.949783 50.78228 3.949783 0.000000       0.000000 
1 1 1 7  0  24 o 151.5529 2.813949 229.9635       8.522675      229.9635       8.522675      229.9635       8.522675      151.5529 2.813949 151.5529 2.813949 0.000000       0.000000 
1 1 1 7  0  25 o 365.4701 4.014683 1336.849       29.33699      1336.849       29.33699      1336.849       29.33699      365.4701 4.014683 365.4701 4.014683 0.000000       0.000000 
1 1 1 7  0  26 o 543.9227 5.736930 2964.162       62.39335      2964.162       62.39335      2964.162       62.39335      543.9227 5.736930 543.9227 5.736930 0.000000       0.000000 
1 1 1 7  0  27 o 73.68438 2.871284 54.56496       4.217413      54.56496       4.217413      54.56496       4.217413      73.68438 2.871284 73.68438 2.871284 0.000000       0.000000 
1 1 1 7  0  28 o 130.6028 2.407581 170.8077       6.283967      170.8077       6.283967      170.8077       6.283967      130.6028 2.407581 130.6028 2.407581 0.000000       0.000000 
1 1 1 7  0  29 o 150.4187 2.818708 226.6337       8.473083      226.6337       8.473083      226.6337       8.473083      150.4187 2.818708 150.4187 2.818708 0.000000       0.000000 
1 1 1 7  0  30 o 116.3248 3.107912 135.7394       7.219123      135.7394       7.219123      135.7394       7.219123      116.3248 3.107912 116.3248 3.107912 0.000000       0.000000 
1 1 1 7  0  31 o 37.30941 4.653717 14.59411       3.384274      14.59411       3.384274      14.59411       3.384274      37.30941 4.653717 37.30941 4.653717 0.000000       0.000000 
1 1 1 7  0  32 o 12.53361 7.506269 1.739958       3.282965      1.739958       3.282965      1.739958       3.282965      12.53361 7.506269 12.53361 7.506269 0.000000       0.000000 
1 1 1 7  0  33 o 249.2543 3.093474 622.4457       15.41591      622.4457       15.41591      622.4457       15.41591      249.2543 3.093474 249.2543 3.093474 0.000000       0.000000 
1 1 1 7  0  34 o 16.83230 8.630064 4.228749       3.649944      4.228749       3.649944      4.228749       3.649944      16.83230 8.630064 16.83230 8.630064 0.000000       0.000000 
1 1 1 7  0  35 o 145.9527 2.652230 213.5274       7.736294      213.5274       7.736294      213.5274       7.736294      145.9527 2.652230 145.9527 2.652230 0.000000       0.000000 
1 1 1 7  0  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  0  37 f 8.236814 5.891780 -4.969789      4.001336      -4.969789      4.001336      -4.969789      4.001336      8.236814 5.891780 8.236814 5.891780 0.000000       0.000000 
1 1 1 7  0  38 o 245.7978 3.158678 606.4348       15.52218      606.4348       15.52218      606.4348       15.52218      245.7978 3.158678 245.7978 3.158678 0.000000       0.000000 
1 1 1 7  0  39 o 43.18887 4.828693 19.51076       4.080682      19.51076       4.080682      19.51076       4.080682      43.18887 4.828693 43.18887 4.828693 0.000000       0.000000 
1 1 1 7  0  40 o 225.9937 2.999648 513.2025       13.55268      513.2025       13.55268      513.2025       13.55268      225.9937 2.999648 225.9937 2.999648 0.000000       0.000000 
1 1 1 7  0  41 o 90.41582 2.870229 82.39294       5.178782      82.39294       5.178782      82.39294       5.178782      90.41582 2.870229 90.41582 2.870229 0.000000       0.000000 
1 1 1 7  0  42 o 25.25746 8.522382 8.501422       3.839809      8.501422       3.839809      8.501422       3.839809      25.25746 8.522382 25.25746 8.522382 0.000000       0.000000 
1 1 1 7  0  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  0  44 o 69.48499 2.862264 49.02486       3.963080      49.02486       3.963080      49.02486       3.963080      69.48499 2.862264 69.48499 2.862264 0.000000       0.000000 
1 1 1 7  0  45 o 103.9223 2.338523 109.1724       4.855020      109.1724       4.855020      109.1724       4.855020      103.9223 2.338523 103.9223 2.338523 0.000000       0.000000 
1 1 1 7  0  46 o 21.90605 7.897143 6.936451       3.161112      6.936451       3.161112      6.936451       3.161112      21.90605 7.897143 21.90605 7.897143 0.000000       0.000000 
1 1 1 7  1  0  o 1697.735 17.33003 28890.67       588.2983      28890.67       588.2983      28890.67       588.2983      1697.735 17.33003 1697.735 17.33003 0.000000       0.000000 
1 1 1 7  1  1  o 849.8243 6.164364 7233.293       104.7800      7155.363       146.6495      7304.138       149.6959      845.4568 8.672798 854.1919 8.762426 -8.735107      12.32873 
1 1 1 7  1  2  o 578.4072 4.240266 3347.435       49.06029      3392.776       70.29259      3302.094       68.45061      582.3228 6.035535 574.4918 5.957493 7.830994       8.480532 
1 1 1 7  1  3  o 448.1852 3.332977 2009.878       29.88250      2041.050       42.88259      1977.997       41.62154      451.6999 4.746800 444.6704 4.680045 7.029541       6.665953 
1 1 1 7  1  4  o 638.7462 4.666419 4083.516       59.62330      4090.601       84.44745      4075.723       84.16407      639.3277 6.604395 638.1648 6.594227 1.162903       9.332838 
1 1 1 7  1  5  o 577.9172 4.241351 3342.476       49.02486      3354.519       69.57705      3330.432       69.08113      578.9576 6.008821 576.8768 5.987512 2.080811       8.482701 
1 1 1 7  1  6  o 512.1001 3.777858 2624.105       38.69564      2654.569       55.31592      2594.351       54.12572      515.0358 5.370103 509.1644 5.315151 5.871429       7.555716 
1 1 1 7  1  7  o 332.3340 3.035166 1105.185       20.27589      1079.681       20.99143      1130.689       34.69997      328.5375 3.194678 336.1304 5.161682 -7.592957      6.070332 
1 1 1 7  1  8  o 505.6562 3.869444 2558.928       39.20572      2522.797       47.18998      2595.767       62.62006      502.1105 4.699162 509.2020 6.148842 -7.091492      7.738888 
1 1 1 7  1  9  o 134.1261 1.566954 180.1593       4.227332      168.1864       5.282216      192.0613       6.601354      129.6783 2.036661 138.5739 2.381889 -8.895599      3.133909 
1 1 1 7  1  10 o 274.9923 2.354678 756.6265       12.92925      777.1716       17.42792      736.0814       19.10695      278.7325 3.126279 271.2520 3.521991 7.480499       4.709357 
1 1 1 7  1  11 f 431.1437 3.349417 1861.103       29.05361      1785.299       33.86399      1936.907       47.21832      422.4081 4.008446 439.8793 5.367190 -17.47125      6.698833 
1 1 1 7  1  12 o 182.7915 1.806673 334.3184       6.621899      323.9041       8.444746      344.6618       10.20170      179.9564 2.346331 185.6267 2.747910 -5.670273      3.613347 
1 1 1 7  1  13 o 345.8945 2.658680 1196.575       18.39141      1195.867       26.04269      1197.992       25.97893      345.7408 3.766216 346.0483 3.753656 -0.3075867     5.317360 
1 1 1 7  1  14 o 270.9888 2.349627 734.6645       12.70963      707.3182       18.71021      762.2941       17.20121      265.9139 3.518095 276.0637 3.115443 -10.14972      4.699253 
1 1 1 7  1  15 o 174.3114 2.172028 304.0675       7.608772      316.4654       12.14995      291.5987       9.167366      177.8730 3.415343 170.7497 2.684445 7.123291       4.344055 
1 1 1 7  1  16 o 507.6862 4.644391 2580.181       47.36000      2519.963       52.98511      2640.400       78.49645      501.8434 5.279047 513.5289 7.642848 -11.68549      9.288781 
1 1 1 7  1  17 o 366.1250 3.036009 1341.808       22.29498      1296.467       28.28139      1386.440       34.47326      359.9975 3.927999 372.2525 4.630360 -12.25504      6.072019 
1 1 1 7  1  18 o 259.8358 2.494670 676.0756       12.98592      630.9471       17.41375      721.2039       19.26989      251.1552 3.466731 268.5164 3.588215 -17.36124      4.989339 
1 1 1 7  1  19 o 653.8258 5.547101 4282.591       72.54546      4235.125       101.6628      4329.349       103.5048      650.2330 7.817416 657.4187 7.872061 -7.185730      11.09420 
1 1 1 7  1  20 o 260.8754 2.682291 680.8221       13.99901      681.0347       22.85465      680.6096       16.15978      260.8993 4.379976 260.8514 3.097508 0.4791260E-01  5.364583 
1 1 1 7  1  21 o 149.8741 2.534225 224.8626       7.651280      238.1815       12.32706      211.6145       9.075267      154.2977 3.994570 145.4505 3.119711 8.847244       5.068450 
1 1 1 7  1  22 o 655.8657 5.228886 4310.221       68.62772      4343.518       104.5675      4276.923       88.91070      658.2992 7.942246 653.4323 6.803360 4.866943       10.45777 
1 1 1 7  1  23 o 289.3282 2.573329 837.3900       14.86332      815.4280       22.17454      860.0605       19.80123      285.4622 3.883972 293.1942 3.376811 -7.732025      5.146658 
1 1 1 7  1  24 o 370.7932 3.109968 1375.813       23.08136      1386.440       35.24548      1365.895       29.79748      372.1498 4.735388 369.4365 4.032828 2.713318       6.219936 
1 1 1 7  1  25 o 403.1536 3.345765 1627.314       26.98493      1633.690       41.08312      1621.646       34.99752      403.8545 5.086377 402.4528 4.348027 1.401642       6.691529 
1 1 1 7  1  26 o 140.3127 1.889024 197.3038       5.343852      211.4729       8.543928      183.0639       6.422824      145.3608 2.938869 135.2645 2.374171 10.09628       3.778048 
1 1 1 7  1  27 o 196.6902 1.883019 387.1689       7.410406      386.8855       10.62678      387.4523       10.32214      196.6159 2.702420 196.7644 2.622970 -0.1484985     3.766039 
1 1 1 7  1  28 o 136.4348 1.708635 186.2520       4.663030      187.9523       6.752253      184.6225       6.433450      137.0425 2.463562 135.8272 2.368249 1.215347       3.417271 
1 1 1 7  1  29 o 157.1082 2.156344 248.1706       6.639610      216.2903       10.36465      280.1219       8.303054      146.9273 3.527136 167.2890 2.481650 -20.36171      4.312687 
1 1 1 7  1  30 o 107.9239 1.756662 116.6820       3.787383      110.1643       5.356604      123.2706       5.355187      104.8879 2.553490 110.9600 2.413117 -6.072067      3.513324 
1 1 1 7  1  31 o 222.6636 2.032788 496.7664       9.054014      491.9489       12.80881      501.5839       12.79464      221.5815 2.890315 223.7456 2.859194 -2.164063      4.065576 
1 1 1 7  1  32 f 101.6550 1.961748 103.7173       3.969455      112.5730       5.484834      94.93254       5.740584      105.9984 2.587225 97.31158 2.949590 8.686798       3.923495 
1 1 1 7  1  33 o 264.2175 2.453029 701.0131       13.00717      670.7621       16.48567      731.1223       20.12712      258.6001 3.187484 269.8348 3.729525 -11.23468      4.906059 
1 1 1 7  1  34 o 254.7496 2.410535 652.4132       12.24913      699.3127       17.15162      605.4429       17.49167      263.9714 3.248765 245.5278 3.562056 18.44362       4.821070 
1 1 1 7  1  35 o 260.7737 2.465279 683.5143       12.83006      709.1602       17.52710      657.8683       18.75272      265.7329 3.297879 255.8145 3.665296 9.918396       4.930558 
1 1 1 7  1  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  1  37 o 212.5502 2.276455 454.3301       9.670367      458.7934       12.88674      449.8669       14.42408      213.6672 3.015609 211.4332 3.411025 2.234055       4.552910 
1 1 1 7  1  38 f 81.70280 2.405543 67.26041       3.930490      67.23208       5.205703      67.28875       5.890777      81.72363 3.184944 81.68199 3.605922 0.4163361E-01  4.811085 
1 1 1 7  1  39 o 34.73464 4.569585 12.84423       3.061929      12.27747       4.092017      13.40391       4.555345      34.01282 6.249033 35.45647 6.668883 -1.443645      9.139170 
1 1 1 7  1  40 o 115.5579 2.050506 134.6767       4.733875      138.7857       6.522007      130.4968       6.862064      117.3747 2.778285 113.7411 3.016527 3.633568       4.101012 
1 1 1 7  1  41 o 113.1388 2.002563 129.2924       4.529132      133.6140       6.383859      124.9001       6.425658      115.0678 2.773955 111.2098 2.888981 3.858025       4.005126 
1 1 1 7  1  42 o 28.22642 5.007987 8.862731       2.830973      9.776634       4.023298      7.955913       3.984333      29.72067 6.895978 26.73216 7.263968 2.988514       10.01597 
1 1 1 7  1  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  1  44 o 76.38390 1.968513 59.49578       3.008086      60.91977       4.349894      58.07888       4.156487      77.27960 2.814387 75.48819 2.753071 1.791412       3.937026 
1 1 1 7  1  45 o 34.10477 4.348212 13.30472       2.829556      14.79247       3.336099      11.80989       4.570931      37.19394 4.484735 31.01560 7.450835 6.178341       8.696424 
1 1 1 7  1  46 o 71.11299 3.222208 56.05979       4.720414      45.57470       4.830225      66.55196       8.111773      65.47193 3.688775 76.75405 5.284264 -11.28212      6.444417 
1 1 1 7  2  0  o 939.8305 9.635941 8841.479       181.0803      8841.479       181.0803      8841.479       181.0803      939.8305 9.635941 939.8305 9.635941 0.000000       0.000000 
1 1 1 7  2  1  o 487.1814 3.605336 2374.022       35.13212      2388.191       49.94585      2360.561       49.41451      488.5982 5.111138 485.7646 5.086262 2.833618       7.210672 
1 1 1 7  2  2  o 701.0571 5.110913 4918.781       71.69532      4894.694       100.8835      4942.868       101.8045      699.3418 7.212749 702.7725 7.243064 -3.430725      10.22183 
1 1 1 7  2  3  o 593.9069 4.352377 3529.507       51.70281      3523.131       72.97054      3535.883       73.25391      593.3708 6.148814 594.4429 6.161561 -1.072083      8.704754 
1 1 1 7  2  4  o 275.9039 2.519426 761.5857       13.90691      784.2562       20.20504      738.9152       19.12111      280.0104 3.607910 271.7974 3.517531 8.213013       5.038853 
1 1 1 7  2  5  o 308.4109 2.472718 951.4508       15.26714      945.0746       18.57561      957.8268       24.22905      307.3884 3.021520 309.4333 3.915069 -2.044861      4.945437 
1 1 1 7  2  6  o 1040.425 7.771180 10860.57       161.3145      11080.19       202.5464      10640.95       251.1462      1051.331 9.632855 1029.519 12.19726 21.81177       15.54236 
1 1 1 7  2  7  o 247.3378 2.167517 611.8898       10.71888      612.3149       14.06277      611.5355       16.18812      247.4212 2.841867 247.2543 3.273577 0.1668854      4.335034 
1 1 1 7  2  8  o 278.4805 2.277908 775.7547       12.68837      775.0463       15.52926      776.4632       20.07044      278.3642 2.789379 278.5969 3.602057 -0.2327271     4.555815 
1 1 1 7  2  9  o 146.1223 1.612789 213.5274       4.716872      210.5519       6.118898      216.5737       7.183701      145.0939 2.108600 147.1506 2.440935 -2.056717      3.225578 
1 1 1 7  2  10 o 372.3383 2.829043 1387.149       21.06936      1372.271       29.52119      1402.026       30.06669      370.3423 3.985662 374.3344 4.016021 -3.992004      5.658085 
1 1 1 7  2  11 o 341.9168 2.627325 1169.654       17.96634      1176.738       25.54677      1162.569       25.27047      342.9519 3.724542 340.8817 3.706635 2.070190       5.254651 
1 1 1 7  2  12 o 197.5717 1.886507 390.4278       7.445828      396.5913       9.897071      384.3351       11.12978      199.1253 2.485137 196.0181 2.838967 3.107224       3.773014 
1 1 1 7  2  13 o 244.6657 2.020828 598.7834       9.889987      590.3528       13.81481      607.2140       14.15487      242.9436 2.843214 246.3879 2.872476 -3.444366      4.041656 
1 1 1 7  2  14 o 267.6623 2.164504 716.9532       11.59735      686.4189       15.79847      747.4167       16.98159      261.9673 3.015353 273.3574 3.106115 -11.39014      4.329007 
1 1 1 7  2  15 o 470.7835 3.639705 2218.163       34.35991      2262.087       55.18131      2173.530       40.96976      475.4487 5.803077 466.1184 4.394781 9.330322       7.279410 
1 1 1 7  2  16 o 382.5870 3.156207 1464.370       24.14404      1458.702       36.42859      1470.037       31.69613      381.8348 4.770203 383.3392 4.134215 -1.504364      6.312414 
1 1 1 7  2  17 o 845.8645 7.291720 7176.616       123.0581      7112.856       207.2222      7233.293       132.9764      841.8605 12.30739 849.8686 7.823351 -8.008118      14.58344 
1 1 1 7  2  18 o 348.5606 2.803571 1215.703       19.54619      1217.120       31.05144      1213.578       23.75439      348.7995 4.451188 348.3217 3.409835 0.4778137      5.607142 
1 1 1 7  2  19 o 251.0013 2.445501 630.3095       12.28455      641.1489       17.89549      619.3994       16.82573      253.1650 3.534353 248.8376 3.380865 4.327377       4.891002 
1 1 1 7  2  20 o 540.0250 4.786610 2920.947       52.06412      3014.462       89.54830      2826.723       53.17639      548.5569 8.162171 531.4930 5.002548 17.06384       9.573219 
1 1 1 7  2  21 o 531.2147 4.125016 2824.597       43.96651      2889.775       70.82392      2760.128       52.11371      537.2405 6.591454 525.1888 4.961427 12.05176       8.250031 
1 1 1 7  2  22 o 417.6416 3.479812 1747.751       29.28740      1863.937       46.81450      1631.564       35.21006      431.4987 5.424639 403.7845 4.360006 27.71426       6.959624 
1 1 1 7  2  23 o 453.6240 3.567128 2060.178       32.49669      2120.396       52.61671      2000.668       38.15722      460.1415 5.717449 447.1064 4.267130 13.03519       7.134257 
1 1 1 7  2  24 o 321.8063 2.671497 1036.465       17.25788      1061.969       27.94842      1010.961       20.24755      325.7342 4.290066 317.8784 3.184795 7.855835       5.342994 
1 1 1 7  2  25 o 185.4020 2.295239 344.1659       8.416408      328.0840       14.38866      360.2477       8.721042      181.0356 3.973986 189.7685 2.297811 -8.732941      4.590479 
1 1 1 7  2  26 f 132.2478 1.877694 175.0584       4.957037      172.5080       7.828392      177.5380       6.083476      131.2858 2.981432 133.2097 2.283420 -1.923950      3.755389 
1 1 1 7  2  27 o 189.6449 2.018281 360.0352       7.679617      369.3159       12.13578      350.7545       9.408240      192.0704 3.159200 187.2193 2.512625 4.851089       4.036561 
1 1 1 7  2  28 o 282.1393 2.534714 797.0083       14.28947      789.9238       21.81323      804.8012       18.46934      280.7824 3.884365 283.4961 3.257424 -2.713623      5.069428 
1 1 1 7  2  29 o 265.3413 2.439708 705.5471       12.92925      691.8032       19.63828      719.0786       16.81156      262.7333 3.737304 267.9492 3.137079 -5.215942      4.879416 
1 1 1 7  2  30 o 177.4342 2.122029 315.6153       7.516674      301.7296       10.78972      329.4301       10.47800      173.5264 3.108957 181.3421 2.889015 -7.815704      4.244057 
1 1 1 7  2  31 o 93.85075 2.014575 88.34394       3.817847      95.14508       6.172740      81.61364       4.495126      97.42717 3.167874 90.27434 2.489703 7.152832       4.029150 
1 1 1 7  2  32 o 53.79729 2.866210 29.27323       2.989666      24.43450       4.725374      34.11904       3.663404      49.26670 4.795708 58.32788 3.140354 -9.061180      5.732420 
1 1 1 7  2  33 o 50.37212 3.054632 25.52552       3.084599      26.27648       4.742376      24.76748       3.945368      51.09518 4.640728 49.64906 3.973255 1.446117       6.109264 
1 1 1 7  2  34 o 141.8552 2.017818 201.8379       5.711539      197.7289       8.919409      205.8761       7.134109      140.3766 3.176956 143.3337 2.488636 -2.957092      4.035635 
1 1 1 7  2  35 o 151.9466 2.077892 231.6637       6.305221      229.4675       9.939578      233.8599       7.764632      151.1618 3.287728 152.7314 2.541924 -1.569595      4.155783 
1 1 1 7  2  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  2  37 o 90.83943 2.140012 83.03055       3.875231      78.28393       5.664072      87.70633       5.291427      88.23099 3.209797 93.44788 2.831218 -5.216896      4.280023 
1 1 1 7  2  38 o 94.54782 2.035951 89.97337       3.834849      84.23491       5.618022      95.71184       5.221290      91.49429 3.070149 97.60134 2.674804 -6.107048      4.071903 
1 1 1 7  2  39 o 32.85874 4.323945 11.77447       2.694242      6.519882       3.929073      17.03827       3.688200      24.77865 7.382089 40.93883 4.504526 -16.16018      8.647889 
1 1 1 7  2  40 o 57.69433 2.612569 33.73647       2.997460      31.99368       4.585100      35.48635       3.861770      56.11771 4.085252 59.27095 3.257726 -3.153236      5.225138 
1 1 1 7  2  41 o 101.3510 2.406438 104.4258       4.780632      93.16142       7.637110      115.6902       5.751920      95.60646 3.994035 107.0955 2.685417 -11.48902      4.812876 
1 1 1 7  2  42 o 43.50478 2.966380 19.40449       2.573805      19.23446       4.174906      19.57452       3.011629      43.13662 4.839168 43.87296 3.432215 -0.7363396     5.932760 
1 1 1 7  2  43 o 42.17928 3.420967 20.09169       2.829556      28.82690       4.510713      11.35648       3.417571      52.11261 4.327852 32.24596 5.299223 19.86664       6.841935 
1 1 1 7  2  44 o 50.82032 3.250737 27.26831       3.226998      30.47051       3.956703      24.06610       5.098727      54.29343 3.643814 47.34721 5.384402 6.946220       6.501474 
1 1 1 7  2  45 o 29.32312 4.842740 10.16628       2.911737      12.12161       3.522423      8.203872       4.638234      33.22114 5.301478 25.42510 8.105730 7.796034       9.685480 
1 1 1 7  2  46 o 16.60198 4.976368 1.646442       2.953535      -0.1021587     4.352019      3.394901       3.994251      15.10285 6.811090 18.10111 7.257135 -2.998255      9.952737 
1 1 1 7  3  0  o 183.0901 2.665358 335.4519       9.755382      335.4519       9.755382      335.4519       9.755382      183.0901 2.665358 183.0901 2.665358 0.000000       0.000000 
1 1 1 7  3  1  o 502.3630 3.841522 2524.922       38.62479      2510.045       46.97035      2539.800       61.33067      500.9138 4.688467 503.8122 6.086660 -2.898407      7.683043 
1 1 1 7  3  2  o 459.9052 3.541538 2116.146       32.63129      2087.099       39.30490      2145.192       52.10663      456.7748 4.302438 463.0356 5.626633 -6.260834      7.083076 
1 1 1 7  3  3  o 708.4797 5.326775 5025.049       75.30843      5129.899       94.50746      4920.906       117.2488      715.9355 6.600278 701.0239 8.362680 14.91168       10.65355 
1 1 1 7  3  4  o 220.0461 2.000314 484.2976       8.813140      479.9052       11.43441      488.6900       13.40391      219.0511 2.609988 221.0411 3.031994 -1.990036      4.000628 
1 1 1 7  3  5  o 483.6899 3.590207 2341.433       34.72831      2342.850       49.16656      2339.308       49.06738      483.8727 5.080526 483.5072 5.074110 0.3655090      7.180413 
1 1 1 7  3  6  o 759.5499 5.536726 5779.550       84.09322      5843.310       120.2243      5715.081       117.6738      763.7565 7.870589 755.3432 7.789429 8.413330       11.07345 
1 1 1 7  3  7  o 274.7076 2.191486 755.2096       12.04368      753.7927       16.98867      755.9181       17.06660      274.5144 3.094314 274.9009 3.104138 -0.3864746     4.382973 
1 1 1 7  3  8  o 303.4092 2.375774 920.9873       14.41699      940.1155       20.76472      901.8591       20.01376      306.5595 3.386735 300.2590 3.332750 6.300568       4.751547 
1 1 1 7  3  9  o 562.1042 4.142248 3163.237       46.57362      3202.911       66.67240      3123.564       65.04295      565.6255 5.893687 558.5829 5.822140 7.042603       8.284495 
1 1 1 7  3  10 o 502.8311 3.729660 2530.590       37.51252      2495.167       52.33333      2566.721       53.75732      499.2800 5.240880 506.3822 5.307979 -7.102173      7.459321 
1 1 1 7  3  11 o 417.4805 3.143161 1744.208       26.24814      1719.412       36.60571      1769.004       37.62588      414.5148 4.415488 420.4462 4.474518 -5.931366      6.286322 
1 1 1 7  3  12 o 413.4954 3.117460 1710.911       25.78056      1693.200       36.10270      1728.622       36.81824      411.3563 4.388252 415.6345 4.429161 -4.278198      6.234920 
1 1 1 7  3  13 o 584.9917 4.308199 3426.073       50.40635      3455.828       71.90786      3395.609       70.66098      587.5599 6.119194 582.4234 6.066118 5.136536       8.616398 
1 1 1 7  3  14 f 365.4642 2.799009 1336.140       20.46009      1327.639       28.77731      1344.641       29.08903      364.3018 3.949653 366.6266 3.967120 -2.324768      5.598017 
1 1 1 7  3  15 o 326.8083 2.547585 1068.345       16.64862      1057.719       23.36474      1078.972       23.73314      325.1832 3.592550 328.4335 3.613080 -3.250336      5.095171 
1 1 1 7  3  16 o 663.9603 5.261200 4413.655       69.83917      4396.652       105.2759      4431.366       91.81535      662.5963 7.944198 665.3243 6.900045 -2.727966      10.52240 
1 1 1 7  3  17 o 431.1603 3.388736 1860.395       29.35116      1916.362       47.57254      1804.427       34.38825      437.6148 5.435435 424.7058 4.048479 12.90900       6.777472 
1 1 1 7  3  18 o 620.1844 4.934825 3850.436       61.25274      3875.231       93.30310      3825.640       79.34660      622.1304 7.498678 618.2386 6.417150 3.891785       9.869650 
1 1 1 7  3  19 o 536.3484 4.123562 2879.148       44.19322      2859.312       69.68332      2899.693       54.37368      534.4034 6.519730 538.2935 5.050561 -3.890076      8.247124 
1 1 1 7  3  20 o 516.2034 4.183677 2668.030       43.30766      2745.959       67.25333      2589.391       54.58620      523.7374 6.420521 508.6695 5.365587 15.06784       8.367353 
1 1 1 7  3  21 o 472.4641 3.702730 2234.457       34.93376      2204.702       54.91918      2263.503       43.18014      469.3082 5.851079 475.6199 4.539353 -6.311768      7.405461 
1 1 1 7  3  22 o 337.6550 3.375537 1142.024       23.12387      1218.537       39.67330      1066.220       23.76147      348.8617 5.686108 326.4482 3.639394 22.41345       6.751074 
1 1 1 7  3  23 o 243.0506 2.287715 591.0613       11.10144      580.8596       17.00284      601.2630       14.28239      240.9419 3.528412 245.1592 2.912880 -4.217316      4.575430 
1 1 1 7  3  24 o 270.8871 2.450213 734.6645       13.33306      763.7111       21.10478      705.3346       16.30148      276.2543 3.819810 265.5199 3.069727 10.73434       4.900426 
1 1 1 7  3  25 o 105.5381 1.903810 111.5103       3.990001      105.9135       6.295302      117.1071       4.904612      102.8799 3.059539 108.1962 2.266536 -5.316254      3.807619 
1 1 1 7  3  26 o 207.0090 2.094527 428.8967       8.671450      429.3926       13.55268      428.4008       10.82514      207.1091 3.271871 206.9090 2.615920 0.2001343      4.189054 
1 1 1 7  3  27 o 284.8296 2.556960 812.5942       14.60828      832.4308       22.93967      792.7576       18.07969      288.2627 3.978952 281.3965 3.212493 6.866150       5.113919 
1 1 1 7  3  28 o 275.4083 2.748380 760.1688       15.23880      782.1308       26.29065      738.2068       15.41591      279.2604 4.707191 271.5561 2.838439 7.704315       5.496761 
1 1 1 7  3  29 o 170.8411 2.223040 292.3781       7.608772      294.9993       12.68129      289.6859       8.409323      171.5651 3.695766 170.1172 2.471627 1.447906       4.446080 
1 1 1 7  3  30 o 121.2891 2.104916 147.4997       5.050553      139.4233       8.331393      155.5760       5.708704      117.9187 3.532687 124.6595 2.289719 -6.740822      4.209833 
1 1 1 7  3  31 o 214.3288 2.383257 460.6354       10.27255      471.1913       17.70421      450.1502       10.40716      216.6414 4.086064 212.0162 2.454330 4.625137       4.766514 
1 1 1 7  3  32 o 216.6601 2.483472 0.000000       0.000000      ?              ?             470.2703       10.76138      ?        ?        216.6601 2.483472 ?              ?        
1 1 1 7  3  33 o 117.1020 2.118345 137.5813       5.011588      143.6740       8.706873      131.4886       4.970498      119.6190 3.639419 114.5850 2.168912 5.033943       4.236691 
1 1 1 7  3  34 o 27.63599 4.765266 7.601687       2.845851      4.898944       4.783466      10.30089       3.083890      23.30241 8.219983 31.96956 4.823166 -8.667154      9.530533 
1 1 1 7  3  35 o 239.0778 2.594097 574.7670       12.49709      593.6826       21.63612      555.8513       12.50417      242.7151 4.457102 235.4406 2.655484 7.274506       5.188194 
1 1 1 7  3  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  3  37 o 77.56079 2.484043 60.56554       3.858937      61.13231       6.523424      59.99878       4.123189      77.81326 4.191717 77.30833 2.666718 0.5049362      4.968085 
1 1 1 7  3  38 o 22.45665 4.818666 4.040300       2.850101      0.5030007      4.838017      7.580434       3.013754      18.18451 7.696279 26.72880 5.800470 -8.544294      9.637332 
1 1 1 7  3  39 o 163.9496 2.273382 271.1245       7.410406      265.5986       12.53960      276.7213       7.913406      161.9483 3.871480 165.9508 2.384263 -4.002457      4.546764 
1 1 1 7  3  40 o 51.76621 3.247999 27.34624       3.324764      26.24105       5.610230      28.45142       3.569888      50.48095 5.556779 53.05148 3.364551 -2.570530      6.495998 
1 1 1 7  3  41 o 31.64745 5.715179 11.21479       3.692451      10.52759       4.274089      11.90199       6.021840      30.94163 7.059970 32.35327 8.989433 -1.411642      11.43036 
1 1 1 7  3  42 o 151.4376 2.907644 234.9226       8.798972      232.6556       13.34723      237.1897       11.46275      150.4109 4.436924 152.4643 3.759159 -2.053421      5.815288 
1 1 1 7  3  43 o 87.87015 3.107271 80.97604       5.382816      78.63815       9.309056      83.31393       5.409029      85.49501 5.444211 90.24528 2.996849 -4.750267      6.214542 
1 1 1 7  3  44 o 53.92853 2.865068 30.36424       3.080348      27.69338       4.360521      33.03511       4.351311      51.44984 4.237643 56.40722 3.857052 -4.957382      5.730137 
1 1 1 7  3  45 o 61.96074 2.544611 0.000000       0.000000      ?              ?             39.28365       3.153319      ?        ?        61.96074 2.544611 ?              ?        
1 1 1 7  3  46 o 90.48204 4.568327 98.33311       8.182618      93.79901       12.50417      102.8672       10.55593      86.46517 7.230758 94.49890 5.585214 -8.033730      9.136655 
1 1 1 7  4  0  o 486.8799 5.118804 2371.897       49.83250      2371.897       49.83250      2371.897       49.83250      486.8799 5.118804 486.8799 5.118804 0.000000       0.000000 
1 1 1 7  4  1  o 523.4403 3.993158 2741.708       41.74198      2705.577       65.39010      2777.839       51.88701      519.9523 6.288086 526.9283 4.923536 -6.975952      7.986316 
1 1 1 7  4  2  o 216.6331 1.919948 469.4201       8.331393      474.5919       13.29764      464.1776       10.03876      217.8304 3.052292 215.4358 2.329873 2.394623       3.839895 
1 1 1 7  4  3  o 233.5180 2.006726 545.6496       9.323226      520.9954       14.33906      570.3745       11.93033      228.2278 3.141393 238.8083 2.497888 -10.58051      4.013452 
1 1 1 7  4  4  o 440.8969 3.413572 1945.409       30.12337      1956.035       47.84175      1934.073       36.61279      442.1084 5.410636 439.6853 4.163522 2.423065       6.827144 
1 1 1 7  4  5  o 960.9762 6.980124 9259.465       134.1808      9273.634       190.0776      9245.296       189.3692      961.7086 9.882288 960.2438 9.860474 1.464783       13.96025 
1 1 1 7  4  6  o 325.5943 2.531677 1060.552       16.48567      1047.092       23.06011      1074.013       23.57019      323.5285 3.563844 327.6600 3.596745 -4.131531      5.063355 
1 1 1 7  4  7  o 277.2619 2.221819 768.6702       12.31998      782.1308       17.66170      755.9181       17.18704      279.6244 3.158113 274.8995 3.126059 4.724854       4.443638 
1 1 1 7  4  8  o 512.3926 3.800087 2627.648       38.95068      2669.446       55.91101      2586.557       54.23906      516.4298 5.413225 508.3555 5.334758 8.074310       7.600174 
1 1 1 7  4  9  o 565.2999 4.172291 3199.368       47.16872      3214.954       67.03371      3183.782       66.38902      566.6753 5.914649 563.9245 5.886339 2.750793       8.344583 
1 1 1 7  4  10 o 628.2419 4.616863 3952.453       58.00095      3946.077       81.96787      3959.537       82.10956      627.7071 6.529150 628.7767 6.529310 -1.069580      9.233726 
1 1 1 7  4  11 o 90.76102 1.621242 82.60548       2.959203      74.88335       3.764713      90.25676       4.568097      86.52805 2.175429 94.99400 2.404413 -8.465950      3.242483 
1 1 1 7  4  12 o 111.1603 1.604417 123.6248       3.576973      128.0172       5.496169      119.2324       4.578724      113.1344 2.429043 109.1862 2.096750 3.948212       3.208833 
1 1 1 7  4  13 o 58.69673 2.084264 34.48743       2.459745      36.40025       3.858228      32.57461       3.052010      60.32460 3.197890 57.06886 2.673971 3.255737       4.168528 
1 1 1 7  4  14 o 503.4567 3.747754 2536.258       37.73923      2539.800       53.45977      2532.715       53.27557      503.8079 5.305572 503.1054 5.294673 0.7024841      7.495509 
1 1 1 7  4  15 o 382.4933 3.167891 1463.661       24.25739      1445.950       31.29231      1481.373       37.07328      380.1912 4.115339 384.7955 4.817271 -4.604279      6.335781 
1 1 1 7  4  16 o 786.9490 5.746610 6202.495       90.46929      6259.880       129.1508      6145.819       126.6712      790.5604 8.168305 783.3375 8.085351 7.222839       11.49322 
1 1 1 7  4  17 f 400.8589 3.054593 1607.477       24.49826      1652.110       35.52885      1563.553       33.74356      406.3777 4.371409 395.3401 4.267662 11.03754       6.109187 
1 1 1 7  4  18 o 416.2828 3.850852 1734.290       31.96535      1768.296       37.95176      1700.284       51.44069      420.4100 4.513660 412.1557 6.240443 8.254333       7.701705 
1 1 1 7  4  19 o 143.0529 2.414098 205.4510       6.956996      229.4675       10.79680      181.3637       8.770633      151.4546 3.564369 134.6511 3.256799 16.80351       4.828196 
1 1 1 7  4  20 o 602.3855 5.145701 3633.649       62.00370      3620.189       87.91887      3647.110       87.42295      601.2659 7.311147 603.5051 7.242934 -2.239197      10.29140 
1 1 1 7  4  21 o 633.8665 5.072908 4024.006       64.32034      4045.968       98.12057      4002.752       83.24309      635.4878 7.720098 632.2452 6.583134 3.242615       10.14582 
1 1 1 7  4  22 o 223.7930 2.524283 501.1588       11.37065      515.9655       19.24155      486.4230       12.10744      227.0687 4.236945 220.5174 2.745235 6.551346       5.048566 
1 1 1 7  4  23 o 361.7740 3.476872 1310.636       25.13587      1303.551       41.30982      1317.012       28.63562      360.7726 5.725188 362.7753 3.946743 -2.002686      6.953744 
1 1 1 7  4  24 o 369.6884 3.417086 1368.020       25.19254      1350.309       42.52128      1386.440       27.02035      367.1522 5.790688 372.2245 3.629577 -5.072296      6.834171 
1 1 1 7  4  25 o 71.02229 2.521577 50.95185       3.414029      41.28857       5.655571      60.61513       3.824931      64.20731 4.404149 77.83727 2.457005 -13.62997      5.043154 
1 1 1 7  4  26 o 298.0451 2.908068 889.8155       17.34290      893.3577       29.62037      886.2732       18.06552      298.5238 4.961140 297.5663 3.035545 0.9574585      5.816137 
1 1 1 7  4  27 o 400.7455 3.679796 1611.019       29.53536      1623.063       50.34258      1598.976       30.89558      401.9637 6.262081 399.5273 3.866517 2.436432       7.359593 
1 1 1 7  4  28 o 329.8513 3.289343 0.000000       0.000000      ?              ?             1089.599       21.69988      ?        ?        329.8513 3.289343 ?              ?        
1 1 1 7  4  29 o 139.0083 2.278476 194.0449       6.291052      175.6252       9.216957      212.3938       8.565183      132.3867 3.481074 145.6299 2.940737 -13.24316      4.556952 
1 1 1 7  4  30 o 123.3043 1.820250 152.2463       4.468914      148.8457       7.353730      155.7177       5.083141      121.8792 3.016812 124.7294 2.037668 -2.850189      3.640501 
1 1 1 7  4  31 o 174.0592 1.928407 303.5007       6.733126      309.2392       11.14395      297.8331       7.566265      175.6397 3.172388 172.4787 2.193391 3.160965       3.856813 
1 1 1 7  4  32 o 81.46044 2.101644 66.67948       3.359478      60.57971       5.513880      72.75800       3.839809      77.68710 3.548775 85.23379 2.252516 -7.546692      4.203288 
1 1 1 7  4  33 o 100.6873 1.937943 101.6628       3.900735      101.4503       6.488001      101.8045       4.331474      100.5522 3.226187 100.8225 2.148070 -0.2702942     3.875885 
1 1 1 7  4  34 o 158.3935 1.949060 251.5712       6.150070      245.9744       10.08835      257.1680       7.031384      156.5555 3.221974 160.2315 2.194133 -3.676010      3.898119 
1 1 1 7  4  35 o 28.46337 4.500977 8.961915       2.787049      14.62953       4.655237      3.287216       3.066888      37.96922 6.130277 18.95752 6.592031 19.01171       9.001953 
1 1 1 7  4  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  4  37 o 142.4956 2.274039 204.2466       6.505713      208.6391       10.87473      199.8542       7.141194      143.8727 3.779292 141.1186 2.530210 2.754044       4.548078 
1 1 1 7  4  38 o 44.53056 4.145894 20.31131       3.698827      19.16362       4.959163      21.46609       5.488376      43.29123 5.727677 45.76989 5.995619 -2.478661      8.291787 
1 1 1 7  4  39 o 70.60351 3.797956 0.000000       0.000000      ?              ?             50.49136       5.362980      ?        ?        70.60351 3.797956 ?              ?        
1 1 1 7  4  40 o 161.8529 3.861828 269.9201       12.61044      281.9638       23.84649      257.8764       8.203872      163.6435 7.286108 160.0622 2.562713 3.581314       7.723657 
1 1 1 7  4  41 o 104.3005 4.354497 114.2024       9.032760      117.2488       17.30748      111.0852       5.188701      103.6255 8.350978 104.9755 2.471388 -1.350006      8.708995 
1 1 1 7  4  42 o 52.08616 7.539689 32.45417       8.104689      36.13104       15.81264      28.77731       3.581932      50.98817 14.69856 53.18415 3.367481 -2.195976      15.07938 
1 1 1 7  4  43 f 45.32816 8.864476 29.74081       8.607689      39.85041       14.70746      19.63828       8.954830      52.04427 13.87316 38.61204 11.03862 13.43223       17.72895 
1 1 1 7  4  44 o 97.23339 4.519618 104.8509       8.692703      96.34944       13.11344      113.4231       11.40607      92.12498 7.117202 102.3418 5.572540 -10.21681      9.039235 
1 1 1 7  4  45 o 23.63926 6.348683 6.252087       4.663738      -1.642900      5.720748      14.14778       7.367898      16.29940 7.516900 30.97912 10.23325 -14.67972      12.69737 
1 1 1 7  4  46 o 36.23991 6.689187 19.80123       4.959163      18.34182       6.071432      21.26772       7.842561      36.23408 8.513129 36.24575 10.32025 -0.1166916E-01 13.37837 
1 1 1 7  5  0  o 86.38138 2.514754 74.81251       4.336433      74.81251       4.336433      74.81251       4.336433      86.38138 2.514754 86.38138 2.514754 0.000000       0.000000 
1 1 1 7  5  1  o 148.1873 1.555466 219.6201       4.609896      219.4784       6.507838      219.7617       6.531217      148.1395 2.196523 148.2350 2.202993 -0.9555054E-01 3.110931 
1 1 1 7  5  2  o 306.4478 2.610830 939.4071       15.96850      975.5381       21.69988      903.9844       23.43558      312.2892 3.474325 300.6065 3.898050 11.68265       5.221660 
1 1 1 7  5  3  o 174.6829 1.663994 305.2010       5.812847      300.8795       8.133026      309.5226       8.310139      173.4462 2.344538 175.9196 2.361914 -2.473389      3.327987 
1 1 1 7  5  4  o 365.4436 2.893415 1336.140       21.12603      1324.096       33.23347      1348.184       26.08519      363.7756 4.567854 367.1116 3.552760 -3.336060      5.786830 
1 1 1 7  5  5  o 354.5382 2.816345 1257.502       19.90041      1218.537       30.82474      1297.175       25.17838      348.9769 4.416443 360.0994 3.496031 -11.12250      5.632691 
1 1 1 7  5  6  o 132.8716 1.586818 176.6170       4.199702      171.1620       6.618357      182.0721       5.171698      130.8164 2.529635 134.9267 1.916484 -4.110291      3.173636 
1 1 1 7  5  7  o 302.5857 2.479577 916.0281       14.96959      896.9000       23.41433      935.1564       18.65354      299.4121 3.910051 305.7593 3.050363 -6.347198      4.959155 
1 1 1 7  5  8  o 576.3909 4.394719 3326.181       50.59054      3292.884       79.48829      3360.187       62.62714      573.3869 6.931470 579.3950 5.404530 -6.008057      8.789438 
1 1 1 7  5  9  f 200.3001 1.875076 401.4088       7.545012      414.6568       12.23496      388.1607       8.841478      203.5995 3.004665 197.0008 2.244021 6.598663       3.750152 
1 1 1 7  5  10 o 355.0265 2.602537 1261.044       18.48351      1262.461       27.65087      1259.627       24.52660      355.2159 3.892122 354.8371 3.456036 0.3787537      5.205074 
1 1 1 7  5  11 o 430.6714 3.249300 1856.144       27.99093      1878.814       40.07712      1833.473       39.08529      433.2997 4.624643 428.0432 4.565577 5.256439       6.498601 
1 1 1 7  5  12 o 432.9437 3.519648 1875.980       30.43509      1919.904       40.92017      1832.056       45.06462      438.0311 4.670921 427.8564 5.266325 10.17474       7.039296 
1 1 1 7  5  13 o 379.3842 2.906586 1440.282       22.05410      1449.492       31.41275      1430.364       30.96643      380.6435 4.126269 378.1248 4.094737 2.518768       5.813172 
1 1 1 7  5  14 o 713.6214 5.224509 5098.728       74.59997      5078.183       105.0634      5118.564       105.8427      712.2097 7.375875 715.0331 7.401245 -2.823364      10.44902 
1 1 1 7  5  15 o 217.5307 2.431955 473.3166       10.58427      471.4038       13.21971      475.2294       16.53526      217.0970 3.044655 217.9644 3.793112 -0.8673248     4.863910 
1 1 1 7  5  16 o 963.4630 7.562774 9309.057       145.5869      9443.662       193.6907      9174.450       217.4239      970.6034 9.977851 956.3226 11.36770 14.28082       15.12555 
1 1 1 7  5  17 o 99.25878 1.761266 98.68733       3.508253      91.88619       4.573056      105.4176       5.321890      95.85163 2.385487 102.6659 2.591848 -6.814301      3.522531 
1 1 1 7  5  18 o 204.3788 2.393456 418.2699       9.741212      445.3328       13.12053      391.2071       14.39574      211.0024 3.109094 197.7552 3.639787 13.24715       4.786911 
1 1 1 7  5  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  5  20 o 20.32546 5.431210 0.8806056      3.529507      -3.778173      5.666906      5.540093       4.209620      16.74558 7.629106 23.90535 7.732329 -7.159765      10.86242 
1 1 1 7  5  21 o 415.9420 4.881861 1732.873       40.56595      1728.622       73.82067      1737.124       33.65146      415.2110 8.889539 416.6730 4.038114 -1.461975      9.763722 
1 1 1 7  5  22 o 388.9276 3.611349 1513.961       28.01927      1497.667       47.37417      1530.964       29.93917      386.6979 6.125475 391.1573 3.827000 -4.459320      7.222699 
1 1 1 7  5  23 o 78.81413 2.530004 62.35084       3.892942      55.28049       6.387401      69.42828       4.451202      74.31861 4.297309 83.30966 2.671480 -8.991051      5.060007 
1 1 1 7  5  24 f 30.61096 4.260466 9.571183       2.763670      1.327639       4.653111      17.81048       2.984707      19.03382 7.751981 42.18810 3.537380 -23.15428      8.520931 
1 1 1 7  5  25 o 47.47865 3.306878 23.10261       2.853644      16.23771       4.828099      29.96751       3.044926      40.23312 6.000155 54.72418 2.782066 -14.49107      6.613755 
1 1 1 7  5  26 o 180.1684 1.928403 324.8960       6.937160      321.8496       11.34231      327.8715       7.991336      179.3098 3.162770 181.0270 2.207222 -1.717239      3.856805 
1 1 1 7  5  27 o 82.91341 1.997425 68.81192       3.312012      68.82609       5.595352      68.79775       3.545801      82.90507 3.374554 82.92175 2.138041 -0.1668549E-01 3.994850 
1 1 1 7  5  28 o 253.3508 2.789395 643.5576       14.30364      672.5333       25.41925      614.6528       13.13470      258.9002 4.909082 247.8013 2.650248 11.09897       5.578791 
1 1 1 7  5  29 o 135.8234 1.820231 184.6934       4.920906      180.2301       8.118857      189.2275       5.564889      134.1380 3.026308 137.5087 2.023468 -3.370712      3.640461 
1 1 1 7  5  30 o 194.0907 2.217591 377.6756       8.664365      388.3733       15.00501      366.9072       8.671450      196.7453 3.813308 191.4361 2.264843 5.309235       4.435181 
1 1 1 7  5  31 o 174.2016 2.145079 304.1384       7.445828      299.3917       12.74505      308.9558       7.693786      172.7367 3.689155 175.6665 2.189885 -2.929764      4.290158 
1 1 1 7  5  32 o 299.5712 2.911455 902.5676       17.30748      870.6873       28.96859      933.7395       18.94400      294.0099 4.926465 305.1325 3.104225 -11.12262      5.822909 
1 1 1 7  5  33 o 83.56482 2.182952 70.20757       3.570597      63.49854       5.926908      76.93786       3.982916      79.49408 3.727892 87.63557 2.272431 -8.141487      4.365905 
1 1 1 7  5  34 o 93.06950 4.250086 88.06055       8.281801      98.19141       16.21646      78.00054       3.363021      97.87926 8.283912 88.25976 1.905184 9.619499       8.500172 
1 1 1 7  5  35 f 43.55043 7.146544 17.57669       7.552096      6.606313       14.48075      28.54352       4.285425      33.84811 13.71504 53.25274 4.023666 -19.40463      14.29309 
1 1 1 7  5  36 f 50.35577 9.758292 27.16204       11.51234      19.05735       20.09878      35.27382       11.22896      43.74913 16.62185 56.96241 10.22796 -13.21328      19.51658 
1 1 1 7  5  37 o 41.56662 7.653632 15.73471       8.508506      9.301972       16.52110      22.16037       4.075015      36.31163 14.67568 46.82161 4.351639 -10.50998      15.30726 
1 1 1 7  5  38 o 209.5123 2.968912 444.4118       12.45458      448.6625       21.89116      440.1611       11.86657      209.8160 5.216753 209.2086 2.836061 0.6073456      5.937823 
1 1 1 7  5  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  5  40 o 60.52315 4.897218 38.80191       6.201787      44.74582       11.83114      32.85091       3.717247      64.05179 9.235609 56.99450 3.261057 7.057285       9.794436 
1 1 1 7  5  41 o 24.97781 6.859423 8.076350       5.570556      14.85623       10.81097      1.297884       2.682907      35.08032 12.35927 14.87529 5.954418 20.20502       13.71885 
1 1 1 7  5  42 o 33.59953 8.023917 13.63061       7.459997      27.45959       11.66820      -0.1981540     9.309056      44.84719 12.53037 22.35188 10.02611 22.49532       16.04783 
1 1 1 7  5  43 o 41.55018 7.763541 22.58544       6.696995      18.89441       10.02459      26.26939       8.883986      37.13366 11.92441 45.96670 9.944787 -8.833038      15.52708 
1 1 1 7  5  44 o 43.01119 6.603279 23.74730       5.690285      16.87532       8.253463      30.62637       7.835476      34.77649 10.76882 51.24590 7.644979 -16.46941      13.20656 
1 1 1 7  5  45 o 84.08348 3.679661 78.07139       6.182659      78.00054       9.351563      78.07139       8.083434      83.43156 5.604332 84.73540 4.769810 -1.303833      7.359323 
1 1 1 7  6  0  o 417.9316 4.478862 1747.751       37.42751      1747.751       37.42751      1747.751       37.42751      417.9316 4.478862 417.9316 4.478862 0.000000       0.000000 
1 1 1 7  6  1  o 192.7469 1.921611 371.7955       7.389152      390.7820       10.05293      352.8798       10.82514      197.6644 2.542929 187.8294 2.881643 9.835007       3.843222 
1 1 1 7  6  2  o 238.9355 2.645273 572.0748       12.78755      525.6004       14.70746      618.5493       20.92058      229.2265 3.208062 248.6446 4.206925 -19.41801      5.290546 
1 1 1 7  6  3  o 205.0204 1.834982 420.3953       7.523758      415.2944       10.54176      425.5670       10.74013      203.7681 2.586705 206.2726 2.603382 -2.504517      3.669965 
1 1 1 7  6  4  o 156.8215 1.629095 245.9744       5.110063      239.5984       7.112856      252.4214       7.339560      154.7777 2.297765 158.8653 2.309995 -4.087631      3.258190 
1 1 1 7  6  5  o 305.5735 2.429136 933.7395       14.84915      940.8240       21.13312      927.3634       20.85682      306.6740 3.445534 304.4729 3.425070 2.201111       4.858273 
1 1 1 7  6  6  o 288.8282 2.522766 834.5562       14.57994      840.2238       22.22413      828.8886       18.88024      289.8000 3.834391 287.8563 3.279456 1.943787       5.045531 
1 1 1 7  6  7  o 196.9395 1.874758 387.9482       7.374983      384.4768       11.68946      391.4196       8.997337      196.0525 2.981206 197.8266 2.274046 -1.774185      3.749516 
1 1 1 7  6  8  o 337.3859 2.717816 1139.899       18.24972      1083.931       27.92008      1195.158       23.49935      329.1297 4.241502 345.6422 3.399374 -16.51248      5.435631 
1 1 1 7  6  9  o 263.6535 2.361312 695.4163       12.45458      700.5880       19.01485      690.2446       16.10311      264.6257 3.592782 262.6813 3.065142 1.944366       4.722624 
1 1 1 7  6  10 o 214.8835 1.975727 461.9106       8.487252      459.6435       13.48184      464.1068       10.30797      214.3567 3.144721 215.4102 2.392638 -1.053558      3.951453 
1 1 1 7  6  11 o 217.4679 2.359107 473.1749       10.31506      486.3522       17.26497      459.9977       11.29272      220.4827 3.915266 214.4530 2.632912 6.029663       4.718213 
1 1 1 7  6  12 f 765.1221 6.043342 5865.272       92.45296      5833.392       139.3525      5897.153       121.4995      762.9398 9.132599 767.3043 7.917294 -4.364502      12.08668 
1 1 1 7  6  13 o 425.8434 3.957039 1814.345       33.67979      1807.261       55.05379      1822.138       38.80191      424.9201 6.478134 426.7668 4.546032 -1.846649      7.914078 
1 1 1 7  6  14 o 327.8119 3.168537 1074.721       20.81431      1086.765       34.37408      1063.386       23.47809      329.5706 5.214981 326.0533 3.600346 3.517303       6.337075 
1 1 1 7  6  15 o 367.7531 3.477668 1353.851       25.45467      1312.053       41.00519      1394.942       30.16588      362.0879 5.662326 373.4184 4.039153 -11.33051      6.955335 
1 1 1 7  6  16 o 698.6886 6.289693 4890.443       87.84802      4889.734       143.6740      4891.151       101.2378      698.4263 10.28555 698.9508 7.242124 -0.5244751     12.57939 
1 1 1 7  6  17 o 502.4105 5.915408 2528.464       59.13447      2492.333       107.8972      2563.887       48.44393      498.5986 10.82005 506.2224 4.784847 -7.623840      11.83082 
1 1 1 7  6  18 o 306.7651 2.947302 941.5324       18.12220      950.7424       30.85307      932.3226       19.01485      308.2323 5.004842 305.2979 3.114147 2.934448       5.894603 
1 1 1 7  6  19 o 377.2275 3.608843 1423.988       27.21163      1419.737       44.58287      1428.239       31.21438      376.6197 5.918818 377.8353 4.130687 -1.215576      7.217686 
1 1 1 7  6  20 o 137.6221 2.921965 189.5817       8.161365      197.9414       14.99793      181.2220       6.438409      140.6362 5.332172 134.6080 2.391540 6.028137       5.843930 
1 1 1 7  6  21 o 471.5273 4.228133 2226.664       39.92126      2240.833       67.67132      2211.786       42.38667      472.9327 7.154434 470.1220 4.508050 2.810730       8.456266 
1 1 1 7  6  22 o 342.3878 3.352448 1173.905       22.85465      1151.234       38.91526      1195.867       23.97401      339.0536 5.738805 345.7220 3.467238 -6.668304      6.704896 
1 1 1 7  6  23 o 133.6220 2.512931 178.7424       6.621190      170.8077       11.88782      186.6770       5.831267      130.6291 4.550220 136.6150 2.134197 -5.985916      5.025863 
1 1 1 7  6  24 o 327.9481 3.183823 1077.555       21.09769      1116.520       37.71089      1037.882       18.93692      333.8193 5.648399 322.0769 2.939812 11.74234       6.367645 
1 1 1 7  6  25 o 491.8522 4.395601 2428.573       43.42809      2474.622       76.51279      2381.815       41.16105      496.0733 7.711843 487.6310 4.220511 8.442291       8.791203 
1 1 1 7  6  26 o 91.07777 4.172887 84.44745       6.833017      64.20699       12.78755      104.7092       4.819597      79.85816 8.006417 102.2974 2.355680 -22.43923      8.345774 
1 1 1 7  6  27 o 91.09550 3.883113 83.45561       7.311223      90.54014       13.97775      76.37110       4.280466      94.83303 7.369666 87.35798 2.449957 7.475052       7.766225 
1 1 1 7  6  28 o 29.86274 6.439489 7.459997       5.575515      7.112856       10.91016      7.807138       2.302468      31.81875 12.20041 27.90674 4.125291 3.912006       12.87898 
1 1 1 7  6  29 o 149.9289 3.211817 225.7836       9.734127      232.2305       18.68896      219.2658       5.446577      151.8304 6.154552 148.0273 1.839720 3.803024       6.423634 
1 1 1 7  6  30 f 147.0172 3.416328 217.4239       9.847479      208.2848       18.89441      226.4920       5.550012      143.5975 6.578946 150.4368 1.844632 -6.839279      6.832657 
1 1 1 7  6  31 o 38.84961 5.291870 17.59086       4.838017      28.16096       9.365732      7.019340       2.429989      51.70157 9.405091 25.99764 4.853844 25.70393       10.58374 
1 1 1 7  6  32 o 128.5910 2.688270 166.0611       6.908822      166.3445       12.96467      165.7777       4.784883      128.4929 5.044896 128.6891 1.859087 -0.1961670     5.376540 
1 1 1 7  6  33 o 135.7512 2.753468 185.2601       7.495420      187.2438       13.78647      183.3473       5.875899      136.2113 5.060692 135.2912 2.171576 0.9201660      5.506936 
1 1 1 7  6  34 o 178.8127 2.940547 321.9205       10.41424      310.7269       17.84590      333.1849       10.75430      175.3985 5.087245 182.2268 2.950800 -6.828323      5.881095 
1 1 1 7  6  35 o 124.8378 3.525079 157.5597       8.643111      149.9084       15.60011      165.2110       7.438744      121.3712 6.426608 128.3044 2.898866 -6.933121      7.050158 
1 1 1 7  6  36 o 138.3580 3.634082 194.4700       9.748297      178.4590       17.55543      210.5519       8.480167      131.9601 6.651799 144.7559 2.929126 -12.79587      7.268164 
1 1 1 7  6  37 o 66.76572 5.074153 45.92893       6.594269      43.83900       12.36957      48.01886       4.567389      64.46112 9.594596 69.07033 3.306332 -4.609207      10.14831 
1 1 1 7  6  38 o 45.28551 6.462526 21.97617       5.805762      19.69496       10.95267      24.25739       3.853978      41.59367 12.31167 48.97735 3.934449 -7.383686      12.92505 
1 1 1 7  6  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  6  40 o 184.2949 3.485568 349.1959       12.78755      331.5555       19.14945      366.8363       16.96033      179.2045 5.342906 189.3853 4.477733 -10.18086      6.971136 
1 1 1 7  6  41 o 43.29597 7.500893 23.42141       6.671490      31.54736       11.18645      15.29548       7.275800      50.72039 11.31799 35.87154 9.846654 14.84885       15.00179 
1 1 1 7  6  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  6  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  6  44 o 72.22855 4.340848 58.09305       6.245002      57.40585       9.670367      58.78732       7.906322      70.93734 6.816133 73.51977 5.377004 -2.582428      8.681696 
1 1 1 7  6  45 o 35.74704 6.398112 18.47642       4.983250      28.13262       7.849646      8.813140       6.141568      46.17614 8.815455 25.31795 9.275295 20.85819       12.79622 
1 1 1 7  7  0  o 39.53515 3.789782 16.06060       2.945743      16.06060       2.945743      16.06060       2.945743      39.53515 3.789782 39.53515 3.789782 0.000000       0.000000 
1 1 1 7  7  1  o 14.06427 4.133650 0.3842643      1.925572      0.7516674      2.699910      0.1686115E-01  2.747376      14.48939 5.903673 13.63915 5.787478 0.8502388      8.267301 
1 1 1 7  7  2  o 667.5677 4.909344 4463.247       65.53887      4376.815       90.96520      4549.677       94.43663      661.1119 6.879713 674.0234 7.005440 -12.91150      9.818688 
1 1 1 7  7  3  o 130.8017 1.604489 171.1620       4.198285      178.6007       6.069307      163.7941       5.802928      133.6312 2.270916 127.9722 2.267262 5.659065       3.208977 
1 1 1 7  7  4  o 160.3912 1.680959 257.4514       5.393443      246.3995       7.424574      268.4324       7.828392      156.9577 2.365151 163.8247 2.389258 -6.867004      3.361918 
1 1 1 7  7  5  o 307.1279 2.455974 943.6578       15.09002      952.8677       21.52985      934.4479       21.14020      308.6262 3.488014 305.6296 3.458467 2.996552       4.911948 
1 1 1 7  7  6  f 615.7980 4.545382 3797.302       55.98186      3764.004       78.49645      3830.599       79.84251      613.1016 6.401587 618.4945 6.454586 -5.392944      9.090764 
1 1 1 7  7  7  o 478.3713 3.593733 2290.425       34.38116      2291.133       48.64230      2289.716       48.60688      478.4452 5.083373 478.2974 5.081240 0.1477966      7.187467 
1 1 1 7  7  8  o 477.6630 3.868655 2284.049       36.94576      2292.550       48.67772      2275.547       55.59929      478.5864 5.085573 476.7397 5.831202 1.846741       7.737310 
1 1 1 7  7  9  o 81.20758 2.249732 66.02770       3.621605      62.23040       5.765380      69.81792       4.384608      78.86800 3.655082 83.54716 2.624032 -4.679161      4.499463 
1 1 1 7  7  10 o 25.97905 4.998171 7.134109       2.792717      10.37882       4.506462      3.887983       3.299968      31.56367 7.281805 20.39442 6.848516 11.16925       9.996343 
1 1 1 7  7  11 o 390.1794 3.685773 1523.880       28.77023      1527.422       47.28916      1519.629       32.79423      390.6282 6.052963 389.7306 4.207296 0.8976440      7.371547 
1 1 1 7  7  12 o 365.6702 3.482753 1337.557       25.45467      1334.015       41.69239      1341.808       29.22364      365.1020 5.709691 366.2385 3.989701 -1.136536      6.965507 
1 1 1 7  7  13 o 590.5917 5.192983 3491.959       61.47945      3526.673       104.5675      3457.245       64.63914      593.3832 8.811127 587.8002 5.498394 5.583008       10.38597 
1 1 1 7  7  14 o 192.6093 2.282896 371.0870       8.820225      376.6838       14.58702      365.4903       9.911241      194.0542 3.758491 191.1643 2.592336 2.889938       4.565793 
1 1 1 7  7  15 o 712.2245 5.417547 5080.308       77.36294      5165.322       123.9082      4995.293       92.59465      718.0469 8.628142 706.4021 6.553962 11.64478       10.83509 
1 1 1 7  7  16 o 548.3192 4.227663 3008.795       46.32566      2994.626       73.18307      3022.964       56.84617      546.9767 6.689779 549.6617 5.171014 -2.684998      8.455325 
1 1 1 7  7  17 o 382.7489 3.429394 1466.495       26.28356      1528.839       38.94360      1404.151       35.32341      390.8821 4.981501 374.6157 4.714619 16.26642       6.858789 
1 1 1 7  7  18 o 473.0383 3.719082 2239.416       35.15338      2223.830       55.50719      2255.002       43.15180      471.3457 5.888163 474.7310 4.544869 -3.385284      7.438165 
1 1 1 7  7  19 o 370.9661 3.170706 1376.522       23.51352      1371.563       35.91851      1382.189       30.36424      370.2339 4.850785 371.6982 4.084529 -1.464294      6.341411 
1 1 1 7  7  20 o 560.2590 4.342864 3142.692       48.59979      3110.103       76.51279      3175.281       59.94211      557.2716 6.864946 563.2465 5.321126 -5.974854      8.685728 
1 1 1 7  7  21 o 270.6220 2.515382 732.5391       13.58102      710.5771       20.46009      755.2096       17.86716      266.4899 3.838811 274.7541 3.251481 -8.264191      5.030765 
1 1 1 7  7  22 o 192.2363 2.221538 369.7410       8.508506      363.6483       14.27530      375.8337       9.273635      190.6339 3.744166 193.8387 2.392101 -3.204742      4.443076 
1 1 1 7  7  23 o 383.3846 3.505608 1471.454       26.75114      1438.866       44.71039      1504.752       29.39366      378.9964 5.898524 387.7729 3.790062 -8.776520      7.011216 
1 1 1 7  7  24 o 70.98330 5.598316 52.84342       6.366856      34.75665       12.26330      70.91602       3.428906      57.76757 11.00993 84.19903 2.036191 -26.43146      11.19663 
1 1 1 7  7  25 o 170.8823 3.331076 292.8031       11.54776      304.4217       21.69279      281.1136       7.927575      174.1460 6.228334 167.6185 2.364767 6.527527       6.662152 
1 1 1 7  7  26 o 174.3961 3.309837 304.8468       11.54776      305.7678       21.89116      303.9966       7.367898      174.4805 6.273238 174.3117 2.113427 0.1688690      6.619674 
1 1 1 7  7  27 o 243.6051 2.778823 594.6744       13.46058      582.7724       23.73314      606.5764       12.69546      241.0286 4.923304 246.1817 2.578473 -5.153122      5.557647 
1 1 1 7  7  28 o 156.6344 2.503569 245.8328       7.906322      252.0671       14.59411      239.6692       6.094810      158.5032 4.603725 154.7655 1.969046 3.737686       5.007138 
1 1 1 7  7  29 o 134.5826 2.630988 181.6470       7.134109      186.2520       13.05677      177.1129       5.764672      136.1467 4.795109 133.0184 2.166870 3.128311       5.261977 
1 1 1 7  7  30 o 135.4142 2.766055 184.8351       7.155363      160.5352       12.81589      209.0641       6.378900      126.3207 5.072759 144.5077 2.207114 -18.18699      5.532110 
1 1 1 7  7  31 o 254.1719 2.896496 649.1544       14.70037      647.3124       26.15604      650.9255       13.42516      253.4633 5.159729 254.8805 2.633619 -1.417252      5.792992 
1 1 1 7  7  32 o 175.8462 2.649625 310.5144       9.351563      314.3401       17.05243      306.6888       7.665448      176.6908 4.825503 175.0016 2.190108 1.689148       5.299250 
1 1 1 7  7  33 o 196.0115 2.815039 386.3188       11.04476      388.3733       19.37616      384.2642       10.59844      196.2449 4.936729 195.7782 2.706746 0.4666748      5.630077 
1 1 1 7  7  34 o 38.26267 6.510100 14.35323       5.691702      10.08835       10.75430      18.61103       3.731416      33.54464 12.27530 42.98070 4.340804 -9.436062      13.02020 
1 1 1 7  7  35 o 138.3572 3.604345 194.0449       9.656199      178.0339       17.62628      210.0560       7.877984      132.0364 6.674781 144.6780 2.722592 -12.64163      7.208690 
1 1 1 7  7  36 o 173.3606 3.184996 303.8550       11.02351      304.4926       19.99251      303.2174       9.301972      172.9288 5.780562 173.7923 2.676174 -0.8635712     6.369993 
1 1 1 7  7  37 o 134.1371 3.185500 182.2846       8.614774      187.9523       15.95433      176.6170       6.495794      135.6269 5.881699 132.6473 2.448522 2.979645       6.371000 
1 1 1 7  7  38 o 196.4653 2.953631 391.0654       11.56902      389.7902       20.61595      392.3406       10.49926      195.3824 5.275795 197.5483 2.657389 -2.165955      5.907261 
1 1 1 7  7  39 o 26.68207 8.202761 -4.670823      9.542846      -15.95433      16.43608      6.612689       9.712874      24.70964 11.81955 28.65450 11.37714 -3.944868      16.40552 
1 1 1 7  7  40 o 84.25424 4.644541 74.52913       7.743378      70.91602       12.46167      78.14223       9.181536      81.50069 7.645129 87.00778 5.276272 -5.507088      9.289083 
1 1 1 7  7  41 o 69.46244 5.378730 52.58129       7.339560      48.93277       11.77447      56.23690       8.763549      65.96336 8.925007 72.96152 6.005596 -6.998154      10.75746 
1 1 1 7  7  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  7  43 o 37.31171 11.78346 0.000000       0.000000      ?              ?             20.27589       9.819141      ?        ?        37.31171 11.78346 ?              ?        
1 1 1 7  7  44 o 35.88263 7.261352 18.08677       5.537259      21.16146       8.848563      15.00501       6.659447      38.27111 10.98324 33.49416 9.501443 4.776955       14.52270 
1 1 1 7  7  45 o 26.78658 6.478717 8.855647       5.014421      2.008461       7.736294      15.70638       6.381733      20.14106 9.082269 33.43209 9.241616 -13.29102      12.95743 
1 1 1 7  8  0  o 77.41856 2.615012 60.14756       4.038883      60.14756       4.038883      60.14756       4.038883      77.41856 2.615012 77.41856 2.615012 0.000000       0.000000 
1 1 1 7  8  1  o 64.09891 2.036081 41.09729       2.610645      41.15396       3.704495      41.04061       3.678282      64.14305 2.887682 64.05476 2.871201 0.8829498E-01  4.072162 
1 1 1 7  8  2  o 275.2621 2.283851 758.0435       12.57502      740.3321       17.44917      775.7547       18.11511      272.0466 3.207019 278.4775 3.252527 -6.430969      4.567701 
1 1 1 7  8  3  o 27.75335 3.933922 8.097604       2.136691      11.41316       3.028632      4.782758       3.015171      33.77253 4.483869 21.73418 6.465128 12.03835       7.867844 
1 1 1 7  8  4  o 190.2406 1.837954 362.0189       6.995253      356.1387       9.755382      367.8990       10.02459      188.6957 2.584950 191.7855 2.613491 -3.089752      3.675909 
1 1 1 7  8  5  o 512.0586 4.423417 2625.522       45.29841      2614.896       63.90944      2636.149       64.22115      511.0226 6.253093 513.0945 6.258218 -2.071960      8.846833 
1 1 1 7  8  6  o 258.4117 2.516279 668.0700       13.00717      672.8167       18.59686      663.3234       18.18596      259.3288 3.585575 257.4945 3.531329 1.834290       5.032557 
1 1 1 7  8  7  o 101.2678 1.914693 102.5838       3.877357      101.0961       5.485542      104.0716       5.482000      100.5333 2.728223 102.0024 2.687191 -1.469139      3.829386 
1 1 1 7  8  8  o 377.2566 3.369838 1424.697       25.42633      1419.029       35.94684      1429.656       35.96810      376.5525 4.773152 377.9607 4.758179 -1.408264      6.739677 
1 1 1 7  8  9  o 160.2354 2.213995 256.8846       7.084518      260.9936       9.082352      252.7047       10.87473      161.5330 2.811299 158.9378 3.421067 2.595215       4.427991 
1 1 1 7  8  10 o 350.3501 2.982447 1228.455       20.92058      1243.333       31.91575      1212.870       27.04869      352.5098 4.526932 348.1904 3.884181 4.319366       5.964895 
1 1 1 7  8  11 o 143.9186 2.140314 208.4265       6.353395      240.1652       11.00934      176.6170       6.347020      154.9491 3.552567 132.8882 2.388105 22.06088       4.280629 
1 1 1 7  8  12 o 246.7747 2.217270 609.1268       10.91724      597.2249       17.21538      621.0997       13.42516      244.3498 3.522691 249.1996 2.693656 -4.849823      4.434539 
1 1 1 7  8  13 o 470.4664 3.681107 2214.620       34.65038      2220.996       55.04670      2208.244       42.09620      471.1098 5.842237 469.8230 4.480007 1.286774       7.362215 
1 1 1 7  8  14 o 396.6048 3.326664 1574.180       26.40400      1588.349       40.36758      1559.302       34.05528      398.4180 5.065984 394.7917 4.313070 3.626312       6.653327 
1 1 1 7  8  15 o 239.1408 2.667947 572.4291       12.63878      542.1073       20.59469      602.8216       14.65078      232.7816 4.423609 245.5001 2.983865 -12.71849      5.335894 
1 1 1 7  8  16 o 846.5919 6.398425 7176.616       108.3931      7204.955       171.9413      7155.363       131.9846      847.8584 10.13974 845.3253 7.806732 2.533081       12.79685 
1 1 1 7  8  17 o 388.4576 3.533158 1510.419       27.45251      1502.626       38.73814      1517.504       38.90108      387.5007 4.998461 389.4146 4.994817 -1.913818      7.066315 
1 1 1 7  8  18 o 397.4949 3.677118 1581.264       29.33699      1606.769       50.01670      1555.760       30.66888      400.6378 6.242134 394.3521 3.888515 6.285797       7.354236 
1 1 1 7  8  19 o 33.28754 5.586150 11.61861       3.735666      13.38974       6.140152      9.840395       4.257087      35.83715 8.652294 30.73793 7.068103 5.099226       11.17230 
1 1 1 7  8  20 o 430.6607 4.054649 1856.852       34.92667      1859.686       57.08704      1854.018       40.26840      430.9054 6.624082 430.4160 4.677846 0.4893188      8.109298 
1 1 1 7  8  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  8  22 o 294.0501 2.967960 865.7281       17.46334      867.1450       28.69938      863.6028       19.89333      294.3084 4.875732 293.7918 3.385616 0.5166016      5.935921 
1 1 1 7  8  23 o 358.7857 3.476361 1289.382       24.75331      1227.039       39.60954      1352.434       29.69830      349.9822 5.658793 367.5893 4.039604 -17.60706      6.952722 
1 1 1 7  8  24 o 236.5905 2.843458 560.5979       13.38265      548.5542       22.84757      572.6416       13.94941      233.9701 4.882584 239.2110 2.915714 -5.240875      5.686916 
1 1 1 7  8  25 o 344.6040 3.524179 1190.907       24.22905      1178.155       40.51636      1202.951       26.59528      342.6323 5.912514 346.5757 3.836864 -3.943451      7.048357 
1 1 1 7  8  26 o 285.4824 3.044858 816.8449       17.29331      801.9674       30.19422      831.7224       16.87532      282.7147 5.340051 288.2502 2.927201 -5.535522      6.089716 
1 1 1 7  8  27 o 30.00146 5.635935 7.346645       4.478124      3.528798       8.621859      11.17229       2.437783      26.60824 10.66456 33.39469 3.649956 -6.786446      11.27187 
1 1 1 7  8  28 o 221.5362 2.670313 492.0906       11.73905      480.8262       21.15437      503.2841       10.18754      218.8331 4.833447 224.2393 2.271577 -5.406143      5.340625 
1 1 1 7  8  29 o 86.07297 3.106762 74.74166       5.613063      83.88069       10.78972      65.52470       3.087433      91.23144 5.913379 80.91451 1.907836 10.31693       6.213524 
1 1 1 7  8  30 o 140.0389 2.690799 196.8079       7.467082      192.4155       14.00609      201.2003       5.164613      138.2892 5.064059 141.7887 1.821236 -3.499512      5.381598 
1 1 1 7  8  31 o 176.6797 2.635200 313.4899       9.188620      302.5797       16.92491      324.4709       7.148279      173.3343 4.882159 180.0252 1.985355 -6.690857      5.270400 
1 1 1 7  8  32 o 68.01493 3.920393 47.14038       5.677533      55.81183       10.71179      38.46893       3.763296      74.09697 7.228224 61.93290 3.038204 12.16407       7.840785 
1 1 1 7  8  33 o 133.3595 3.083859 179.0258       8.267632      183.3473       14.53743      174.7042       7.892153      134.7430 5.394503 131.9760 2.989997 2.767059       6.167717 
1 1 1 7  8  34 o 164.9485 3.002153 274.0291       9.868733      271.7621       17.75380      276.2253       8.607689      163.9148 5.415558 165.9822 2.592955 -2.067429      6.004306 
1 1 1 7  8  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  8  36 f 164.1191 3.094085 273.1082       10.51342      303.5007       19.49659      242.7156       7.892153      172.7179 5.644056 155.5204 2.537337 17.19756       6.188170 
1 1 1 7  8  37 o 66.70964 5.016347 45.99269       6.359772      41.94743       12.17120      50.03795       3.701661      62.84251 9.683892 70.57677 2.622435 -7.734268      10.03269 
1 1 1 7  8  38 o 92.93913 4.337716 89.05238       8.090520      92.24043       12.87965      85.86436       9.797889      94.27267 6.831064 91.60558 5.347867 2.667084       8.675431 
1 1 1 7  8  39 o 73.14960 5.260098 56.35026       7.707955      57.90885       12.61753      54.79875       8.862731      73.55317 8.577147 72.74603 6.091557 0.8071365      10.52020 
1 1 1 7  8  40 o 26.73048 7.783833 5.089518       6.792635      7.424574       11.25730      2.753752       7.601687      29.98577 12.11621 23.47519 9.774954 6.510574       15.56767 
1 1 1 7  8  41 o 37.99664 7.820191 17.25788       6.664406      14.72871       10.87473      19.79414       7.715039      34.85966 12.38409 41.13362 9.552793 -6.273960      15.64038 
1 1 1 7  8  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  8  43 o 31.49953 7.283798 12.78047       5.584017      9.975000       8.713958      15.58594       6.981084      28.21737 10.88295 34.78168 9.683813 -6.564318      14.56760 
1 1 1 7  8  44 o 57.87570 5.354378 39.79374       6.126691      37.65421       9.386987      41.94035       7.870899      55.08683 8.520172 60.66457 6.487229 -5.577740      10.70876 
1 1 1 7  8  45 o 17.50196 5.787657 -1.711619      5.040634      2.748793       7.792970      -6.172032      6.400154      20.35407 9.150287 14.64986 7.089441 5.704213       11.57531 
1 1 1 7  9  0  o 364.6963 4.688211 1331.181       34.18280      1331.181       34.18280      1331.181       34.18280      364.6963 4.688211 364.6963 4.688211 0.000000       0.000000 
1 1 1 7  9  1  o 133.9901 2.237777 179.6634       5.975791      186.7479       7.792970      172.5788       9.061099      136.6371 2.851703 131.3431 3.449401 5.294037       4.475553 
1 1 1 7  9  2  o 330.3479 3.049420 1091.724       20.14837      1112.269       29.03235      1071.888       27.95551      333.4000 4.353982 327.2958 4.270679 6.104156       6.098841 
1 1 1 7  9  3  f 166.9788 2.053063 278.9174       6.854979      274.5251       9.712874      283.3099       9.677451      165.6635 2.931507 168.2942 2.875160 -2.630692      4.106127 
1 1 1 7  9  4  o 305.0082 2.862222 930.9057       17.46334      947.2001       25.17838      914.6113       24.20780      307.6759 4.091704 302.3405 4.003400 5.335388       5.724444 
1 1 1 7  9  5  o 280.0308 2.694958 784.2562       15.09711      794.8829       21.69988      774.3378       20.99143      281.8626 3.849372 278.1990 3.772735 3.663544       5.389916 
1 1 1 7  9  6  o 269.5467 2.460482 726.8716       13.25513      721.9124       19.92875      731.8307       17.49167      268.6193 3.709478 270.4740 3.233522 -1.854675      4.920965 
1 1 1 7  9  7  o 369.7290 3.136649 1368.020       23.23013      1394.233       35.67764      1341.808       29.76206      373.2520 4.779296 366.2060 4.063569 7.046021       6.273297 
1 1 1 7  9  8  o 357.3086 2.815916 1277.339       20.12712      1265.295       28.24597      1289.382       28.67104      355.6245 3.971320 358.9926 3.993264 -3.368103      5.631833 
1 1 1 7  9  9  o 238.1934 2.117561 567.6824       10.08835      588.0858       14.67912      547.2791       13.85732      242.4747 3.026939 233.9121 2.962078 8.562576       4.235123 
1 1 1 7  9  10 o 168.5213 2.306910 284.3726       7.743378      266.8029       11.46275      301.8713       10.40716      163.3169 3.509359 173.7257 2.995284 -10.40884      4.613819 
1 1 1 7  9  11 o 308.6382 2.523474 952.8677       15.57885      941.5324       21.79906      964.2029       22.25956      306.8028 3.552618 310.4737 3.584773 -3.670898      5.046949 
1 1 1 7  9  12 o 309.0612 2.523781 955.7015       15.60719      987.5818       22.72005      923.8211       21.40941      314.2165 3.615350 303.9060 3.522374 10.31046       5.047562 
1 1 1 7  9  13 o 69.69930 2.286231 48.67064       3.229832      52.67339       5.362980      44.67497       3.599643      72.56490 3.695299 66.83369 2.692986 5.731209       4.572462 
1 1 1 7  9  14 o 298.2487 2.565641 889.8155       15.28131      881.3140       24.22905      898.3169       18.63937      296.8117 4.081552 299.6856 3.109820 -2.873871      5.131281 
1 1 1 7  9  15 o 534.2747 4.733465 2857.186       50.50553      2842.309       85.15590      2872.063       54.38076      532.7773 7.991697 535.7721 5.074990 -2.994751      9.466929 
1 1 1 7  9  16 o 507.1963 6.028952 2577.348       61.50778      2624.105       113.1397      2531.298       48.28807      511.4269 11.06118 502.9656 4.800335 8.461273       12.05790 
1 1 1 7  9  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  9  18 o 256.9716 2.807169 660.7021       14.48784      676.0046       23.99526      645.3996       16.23771      259.9295 4.615725 254.0137 3.196228 5.915802       5.614337 
1 1 1 7  9  19 o 478.2267 5.704088 2291.842       54.76332      2323.722       98.12057      2259.961       48.67064      481.2599 10.19414 475.1935 5.121140 6.066437       11.40818 
1 1 1 7  9  20 o 353.0167 3.576003 1247.584       25.06503      1197.992       40.85641      1297.884       29.05361      345.8858 5.906056 360.1476 4.033569 -14.26187      7.152005 
1 1 1 7  9  21 o 158.1239 2.044788 250.2252       6.507838      261.7729       10.47800      238.7483       7.715039      161.7551 3.238849 154.4927 2.496895 7.262344       4.089575 
1 1 1 7  9  22 f 350.7906 3.332099 1231.998       23.47809      1256.085       40.12671      1207.910       24.38491      354.1355 5.665446 347.4456 3.509170 6.689880       6.664199 
1 1 1 7  9  23 o 279.7090 2.795671 783.5477       15.64262      784.9646       26.46776      781.4223       16.69112      279.9623 4.727022 279.4557 2.986363 0.5066528      5.591341 
1 1 1 7  9  24 o 113.1053 1.889839 128.0172       4.278340      128.7965       6.904571      127.2379       5.055512      113.4381 3.043321 112.7726 2.241463 0.6655121      3.779678 
1 1 1 7  9  25 o 244.3233 2.284299 597.6500       11.13686      587.6608       17.78922      607.6390       13.39682      242.2413 3.671798 246.4053 2.718452 -4.163986      4.568597 
1 1 1 7  9  26 o 145.4386 1.877820 211.6854       5.449411      208.7807       8.806056      214.6609       6.423533      144.4083 3.049013 146.4689 2.192797 -2.060638      3.755641 
1 1 1 7  9  27 o 68.66556 3.394431 48.30933       5.189409      61.98244       10.00334      34.64329       2.756586      78.49617 6.371864 58.83494 2.342644 19.66123       6.788861 
1 1 1 7  9  28 o 147.3932 2.631987 217.9906       7.885069      227.8381       14.78539      208.0723       5.479167      150.5899 4.909156 144.1964 1.899897 6.393524       5.263974 
1 1 1 7  9  29 o 113.5866 2.847932 129.5050       6.449745      128.9382       12.22079      130.0717       4.135233      113.1678 5.399414 114.0054 1.813613 -0.8376083     5.695864 
1 1 1 7  9  30 o 151.7141 2.619324 231.0261       7.941744      231.1678       14.84206      230.8136       5.659113      151.5711 4.896074 151.8571 1.863302 -0.2859802     5.238648 
1 1 1 7  9  31 o 41.47954 5.805473 17.85299       4.940743      18.53310       9.606606      17.17287       2.304594      41.56654 11.27228 41.39254 2.783827 0.1739960      11.61095 
1 1 1 7  9  32 o 42.11773 6.153791 18.34890       5.161071      12.56085       9.592437      24.14404       3.813596      35.23054 11.67632 49.00492 3.891034 -13.77438      12.30758 
1 1 1 7  9  33 o 137.3208 3.104846 190.0068       8.366816      180.4427       15.18921      199.5708       7.034926      133.5339 5.687396 141.1078 2.492749 -7.573853      6.209692 
1 1 1 7  9  34 o 141.7459 3.221102 202.9714       9.365732      219.1950       17.38541      186.7479       6.981084      147.0165 5.912740 136.4753 2.557637 10.54121       6.442204 
1 1 1 7  9  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  9  36 o 107.0237 3.918918 117.6738       7.644195      92.87803       14.11944      142.4697       5.877316      94.89243 7.439710 119.1549 2.466250 -24.26247      7.837836 
1 1 1 7  9  37 o 108.7750 4.137657 121.1453       9.004422      122.2079       14.36032      120.0826       10.86765      108.9107 6.592702 108.6394 5.001710 0.2713623      8.275314 
1 1 1 7  9  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  9  39 o 98.76688 4.415362 101.3794       8.699788      101.0252       13.95650      101.7337       10.40007      98.03387 7.118204 99.49990 5.226172 -1.466034      8.830725 
1 1 1 7  9  40 o 70.38049 5.432195 53.41727       7.658363      55.23799       12.31998      51.59655       9.110690      70.86635 8.692403 69.89462 6.517447 0.9717255      10.86439 
1 1 1 7  9  41 o 62.20669 6.421118 43.81066       7.559181      38.95068       11.88782      48.67064       9.337394      57.04571 10.81183 67.36768 6.930174 -10.32197      12.84224 
1 1 1 7  9  42 o 74.60640 4.999946 62.08163       7.502505      66.21899       11.97992      57.94427       9.025676      76.19702 7.861146 73.01579 6.180633 3.181236       9.999892 
1 1 1 7  9  43 o 94.78461 3.961774 97.27043       7.537927      102.3713       11.73905      92.16957       9.457831      96.64539 6.073257 92.92384 5.089024 3.721550       7.923548 
1 1 1 7  9  44 o 59.63009 5.244863 42.95343       6.293177      50.34258       9.727042      35.56428       7.984251      64.65849 7.521862 54.60170 7.311358 10.05679       10.48973 
1 1 1 7  9  45 o 47.07942 6.142131 31.30648       5.532300      18.77397       7.637110      43.83191       8.005506      34.11303 10.31820 60.04582 6.666164 -25.93279      12.28426 
1 1 1 7  10 0  o 15.22645 9.249215 2.270588       5.134150      2.270588       5.134150      2.270588       5.134150      15.22645 9.249215 15.22645 9.249215 0.000000       0.000000 
1 1 1 7  10 1  o 103.2727 2.620473 106.7637       5.409029      101.7337       7.573349      111.7937       7.729208      100.8379 3.755210 105.7075 3.655942 -4.869591      5.240946 
1 1 1 7  10 2  o 280.7600 3.061613 788.5069       17.22955      773.6293       21.31731      804.0928       27.06994      278.0694 3.833092 283.4506 4.775072 -5.381195      6.123227 
1 1 1 7  10 3  o 415.9341 3.717880 1732.165       30.93100      1759.086       44.31366      1704.535       43.16597      419.2076 5.285408 412.6606 5.230201 6.546967       7.435761 
1 1 1 7  10 4  o 459.4672 3.789781 2113.312       34.79207      2143.067       46.16980      2083.557       52.06412      462.7325 4.988822 456.2018 5.706260 6.530762       7.579561 
1 1 1 7  10 5  o 136.1936 1.799140 185.6144       4.901069      191.7779       7.091603      179.3800       6.770674      138.4687 2.560723 133.9185 2.527908 4.550217       3.598281 
1 1 1 7  10 6  o 416.8187 3.220310 1738.541       26.84324      1754.127       38.27765      1722.955       37.65421      418.6861 4.571163 414.9512 4.537185 3.734863       6.440620 
1 1 1 7  10 7  o 421.5181 3.252472 1778.214       27.41709      1770.421       38.65313      1785.299       38.90108      420.6365 4.594600 422.3996 4.604774 -1.763123      6.504944 
1 1 1 7  10 8  o 68.23585 2.217661 46.58779       3.026506      44.75290       4.224498      48.42977       4.334308      66.88895 3.157844 69.58274 3.114499 -2.693787      4.435323 
1 1 1 7  10 9  o 378.6318 2.974844 1434.615       22.52877      1417.612       31.52611      1450.909       32.19205      376.4349 4.187458 380.8286 4.226580 -4.393768      5.949687 
1 1 1 7  10 10 o 316.3929 2.589034 1001.042       16.38649      1018.045       23.53477      984.7480       22.80506      319.0226 3.688574 313.7634 3.634118 5.259186       5.178069 
1 1 1 7  10 11 o 642.3534 5.136329 4130.982       66.00645      4149.402       100.0334      4111.854       86.14774      643.7635 7.769420 640.9432 6.720388 2.820374       10.27266 
1 1 1 7  10 12 o 358.6481 3.068092 1286.548       21.99034      1269.546       32.70213      1304.260       29.40783      356.2201 4.590158 361.0762 4.072248 -4.856079      6.136184 
1 1 1 7  10 13 o 509.7090 4.967000 2601.435       50.63305      2606.394       63.94485      2595.767       78.49645      510.2906 6.265533 509.1274 7.708921 1.163208       9.934001 
1 1 1 7  10 14 o 208.0648 2.311868 433.0766       9.620775      425.2128       13.36140      440.8696       13.85023      206.1844 3.240157 209.9453 3.298534 -3.760818      4.623737 
1 1 1 7  10 15 o 477.4095 4.458441 2281.923       42.66296      2310.970       70.29967      2252.168       48.35892      480.4033 7.316735 474.4157 5.096682 5.987518       8.916882 
1 1 1 7  10 16 o 430.4823 3.876637 1854.727       33.37516      1857.561       47.55837      1851.893       46.84283      430.8087 5.519662 430.1559 5.444867 0.6527100      7.753273 
1 1 1 7  10 17 o 321.2095 2.926976 1032.214       18.80231      1032.214       28.86232      1032.214       24.10861      321.1968 4.492935 321.2222 3.752638 -0.2542114E-01 5.853952 
1 1 1 7  10 18 o 282.9423 2.648762 801.2590       14.96250      792.7576       23.95275      809.0520       17.95217      281.4867 4.254686 284.3979 3.156171 -2.911194      5.297525 
1 1 1 7  10 19 o 358.4429 3.053976 1285.840       21.96201      1313.470       35.62804      1258.210       25.69555      362.2581 4.917493 354.6276 3.622892 7.630585       6.107953 
1 1 1 7  10 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  10 21 o 409.1066 3.330977 1675.488       27.29665      1693.908       43.81774      1657.069       32.56044      411.2958 5.326792 406.9174 4.000867 4.378418       6.661955 
1 1 1 7  10 22 o 187.1353 2.150016 350.6836       8.111773      371.4413       13.09927      329.9260       9.564099      192.6667 3.399466 181.6039 2.633231 11.06277       4.300031 
1 1 1 7  10 23 o 166.0048 2.177278 275.8711       7.282885      284.6559       12.40499      267.0863       7.615856      168.6198 3.678391 163.3898 2.330580 5.230042       4.354557 
1 1 1 7  10 24 o 225.1375 2.225392 507.3932       10.00334      501.4422       16.08894      513.3442       11.88782      223.7829 3.594766 226.4921 2.624334 -2.709274      4.450783 
1 1 1 7  10 25 o 134.5475 1.889431 181.2220       5.109354      186.6770       8.366816      175.7669       5.864564      136.5555 3.063521 132.5395 2.212383 4.016037       3.778863 
1 1 1 7  10 26 o 172.2530 1.970500 296.9830       6.784134      296.2037       10.95267      297.8331       8.012589      171.9895 3.184108 172.5164 2.322268 -0.5269012     3.940999 
1 1 1 7  10 27 o 178.4160 2.710939 320.0785       9.982086      354.4384       18.15053      285.6478       8.324308      187.9052 4.829706 168.9268 2.463880 18.97833       5.421878 
1 1 1 7  10 28 o 166.8888 2.769128 279.4842       9.266549      282.8139       16.40774      276.0836       8.628942      167.7402 4.890819 166.0373 2.598496 1.702988       5.538257 
1 1 1 7  10 29 o 117.8209 2.852410 139.5650       6.912364      150.1209       13.14886      129.0091       4.281883      122.1073 5.384146 113.5346 1.885717 8.572670       5.704819 
1 1 1 7  10 30 o 101.2631 3.178979 103.2214       6.228708      95.71184       11.85240      110.8019       3.844768      97.31423 6.089756 105.2119 1.827154 -7.897675      6.357957 
1 1 1 7  10 31 o 177.6114 2.724470 317.0322       9.500339      301.8005       17.52710      332.1930       7.332476      173.0701 5.063584 182.1527 2.012728 -9.082642      5.448941 
1 1 1 7  10 32 o 55.59282 3.500663 0.000000       0.000000      ?              ?             31.03727       3.892234      ?        ?        55.59282 3.500663 ?              ?        
1 1 1 7  10 33 o 184.2363 2.703276 0.000000       0.000000      ?              ?             340.4111       9.960832      ?        ?        184.2363 2.703276 ?              ?        
1 1 1 7  10 34 o 45.97938 7.490448 21.69279       7.573349      16.72655       14.40991      26.65904       4.682158      40.57034 14.27141 51.38842 4.555655 -10.81808      14.98090 
1 1 1 7  10 35 o 69.62649 5.597967 50.13713       7.474166      46.53112       14.16195      53.74315       4.804011      66.16014 10.70278 73.09283 3.286240 -6.932693      11.19593 
1 1 1 7  10 36 o 124.3548 3.282885 156.7095       8.239295      162.2355       15.38757      151.2545       5.907779      125.9414 6.109023 122.7682 2.406070 3.173134       6.565770 
1 1 1 7  10 37 o 67.15194 9.162660 47.87717       12.30581      47.87717       12.30581      ?              ?             67.15194 9.162660 ?        ?        ?              ?        
1 1 1 7  10 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  10 39 o 37.72377 8.149589 16.40774       7.059722      14.57285       11.58319      18.24263       8.069265      35.73057 12.77231 39.71698 10.12577 -3.986412      16.29918 
1 1 1 7  10 40 o 106.3116 4.267455 119.3033       9.075267      120.5785       14.21863      118.0281       11.27147      106.2372 6.691924 106.3860 5.297439 -0.1487885     8.534910 
1 1 1 7  10 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  10 42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  10 43 o 33.89860 6.831225 14.82790       5.619440      7.047678       8.607689      22.61378       7.226208      25.27423 10.45511 42.52297 8.795071 -17.24874      13.66245 
1 1 1 7  10 44 o 43.19984 6.748227 25.68846       5.695952      26.96367       8.706873      24.42033       7.346645      43.40212 10.19307 42.99757 8.846221 0.4045486      13.49645 
1 1 1 7  11 0  o 726.0330 7.569056 5277.966       109.8809      5277.966       109.8809      5277.966       109.8809      726.0330 7.569056 726.0330 7.569056 0.000000       0.000000 
1 1 1 7  11 1  o 245.5686 2.207180 603.3175       10.83931      592.4073       15.13253      614.1568       15.52926      243.3554 3.109142 247.7817 3.133658 -4.426331      4.414360 
1 1 1 7  11 2  o 76.45858 2.328116 58.53228       3.548635      55.13881       5.190826      61.91869       4.839434      74.24080 3.495939 78.67636 3.075532 -4.435562      4.656231 
1 1 1 7  11 3  o 35.13311 4.646247 12.63170       3.190867      11.04476       4.471039      14.22571       4.553220      32.57084 7.062223 37.69539 6.039492 -5.124554      9.292495 
1 1 1 7  11 4  o 288.4478 2.821286 832.4308       16.28022      826.0548       22.76256      838.8069       23.27264      287.3441 3.960853 289.5515 4.018739 -2.207428      5.642572 
1 1 1 7  11 5  o 171.2549 2.212414 293.3699       7.580434      296.1328       10.64803      290.6069       10.78264      172.0619 3.094244 170.4479 3.163030 1.613953       4.424828 
1 1 1 7  11 6  o 287.6351 2.820750 828.1802       16.23063      806.2181       22.37291      849.4337       23.52768      283.8820 3.940530 291.3882 4.037172 -7.506195      5.641501 
1 1 1 7  11 7  o 210.9596 2.230366 445.1911       9.394071      454.1176       12.46167      436.2646       14.06985      213.0783 2.924198 208.8409 3.368558 4.237473       4.460731 
1 1 1 7  11 8  o 333.8667 3.504327 1115.103       23.33640      1144.150       29.92500      1086.765       35.82641      338.1797 4.424424 329.5537 5.435596 8.626007       7.008654 
1 1 1 7  11 9  o 201.4504 2.635670 405.9429       10.61261      408.7767       13.08510      403.1091       16.70529      202.1606 3.236314 200.7402 4.160924 1.420425       5.271339 
1 1 1 7  11 10 o 544.9299 4.725114 2972.664       51.49736      2941.492       71.97870      3003.127       73.67899      542.1082 6.638777 547.7517 6.725583 -5.643555      9.450229 
1 1 1 7  11 11 o 321.4283 3.033654 1033.631       19.50368      1024.421       27.20455      1042.841       27.95551      319.9976 4.250743 322.8591 4.329367 -2.861511      6.067308 
1 1 1 7  11 12 o 320.5734 3.082597 1028.672       19.80831      1089.599       29.62037      968.4536       26.30482      330.0124 4.487766 311.1343 4.227244 18.87808       6.165195 
1 1 1 7  11 13 o 381.6345 3.709135 1457.285       28.28848      1462.953       32.85091      1451.618       46.07062      382.4125 4.295219 380.8566 6.048290 1.555939       7.418269 
1 1 1 7  11 14 o 853.2037 6.260394 7289.969       106.8345      7289.969       150.9711      7297.054       151.1836      852.9973 8.849447 853.4101 8.857618 -0.4128418     12.52079 
1 1 1 7  11 15 o 198.9157 2.095348 395.8120       8.338477      398.0790       11.93033      393.4741       11.64695      199.4939 2.990149 198.3375 2.936143 1.156311       4.190695 
1 1 1 7  11 16 o 266.7369 2.660209 711.9940       14.17612      721.2039       18.58269      702.3591       21.41650      268.5101 3.460333 264.9637 4.041403 3.546448       5.320417 
1 1 1 7  11 17 o 391.0039 3.291359 1530.256       25.81598      1561.428       41.72781      1498.376       30.40675      395.0000 5.282001 387.0078 3.928442 7.992218       6.582718 
1 1 1 7  11 18 o 658.2922 5.085014 4341.393       66.83534      4288.967       105.0634      4393.818       82.67632      654.1722 8.030256 662.4123 6.240549 -8.240112      10.17003 
1 1 1 7  11 19 o 525.7401 4.151480 2767.921       43.62646      2755.877       69.08113      2779.965       53.29683      524.5011 6.585413 526.9791 5.056825 -2.478027      8.302960 
1 1 1 7  11 20 o 211.0709 2.563285 446.0412       10.92433      467.4365       18.42683      424.6460       11.73196      216.1113 4.263274 206.0305 2.847142 10.08078       5.126571 
1 1 1 7  11 21 o 448.2226 3.600621 2011.295       32.26998      2007.752       51.25649      2015.545       39.21281      447.7117 5.724274 448.7335 4.369276 -1.021759      7.201241 
1 1 1 7  11 22 o 160.6448 2.119846 258.3723       6.854979      271.8329       10.99517      244.9826       8.189702      164.8085 3.335742 156.4812 2.616833 8.327316       4.239693 
1 1 1 7  11 23 o 429.7436 3.490600 1851.185       29.96043      1834.890       47.50878      1867.479       36.52777      427.7178 5.553753 431.7694 4.230010 -4.051605      6.981200 
1 1 1 7  11 24 f 148.7529 2.006197 221.4620       5.945328      216.2195       9.564099      226.7754       7.068224      146.9600 3.253981 150.5458 2.347532 -3.585846      4.012393 
1 1 1 7  11 25 o 189.4508 2.094157 359.3267       7.913406      354.2967       12.71671      364.3568       9.436578      188.0933 3.380427 190.8083 2.472790 -2.715042      4.188314 
1 1 1 7  11 26 o 159.2114 1.959239 253.9091       6.279717      264.3234       10.30089      243.4240       7.183701      162.4622 3.170242 155.9607 2.303048 6.501480       3.918478 
1 1 1 7  11 27 o 261.1702 2.421349 683.5851       12.64586      683.5143       20.33965      683.7268       15.03335      261.0644 3.895524 261.2760 2.876909 -0.2116699     4.842697 
1 1 1 7  11 28 o 319.2223 2.770496 1023.004       17.66170      1013.086       28.16804      1032.214       21.31731      317.5714 4.434916 320.8733 3.321765 -3.301910      5.540993 
1 1 1 7  11 29 f 103.2033 1.855857 106.6928       3.832016      107.1179       6.044511      106.2678       4.712621      103.3876 2.923229 103.0190 2.287258 0.3685608      3.711713 
1 1 1 7  11 30 o 195.8445 2.754918 385.3269       10.74721      381.9264       19.71621      388.6566       8.558097      194.6841 5.063642 197.0048 2.172053 -2.320679      5.509835 
1 1 1 7  11 31 o 314.1476 3.277529 993.9578       20.48134      980.4973       36.46401      1007.418       18.67479      311.3547 5.855702 316.9404 2.946104 -5.585693      6.555058 
1 1 1 7  11 32 o 134.4311 2.987722 181.8596       8.083434      185.9686       15.22463      177.7505       5.465705      135.6357 5.612322 133.2265 2.051283 2.409225       5.975443 
1 1 1 7  11 33 o 66.11433 3.528097 0.000000       0.000000      ?              ?             43.92401       4.665155      ?        ?        66.11433 3.528097 ?              ?        
1 1 1 7  11 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 35 o 58.33752 6.286093 36.06728       7.148279      38.32016       13.58811      33.80732       4.426406      58.76140 11.97729 57.91363 3.821558 0.8477707      12.57219 
1 1 1 7  11 36 o 35.50709 7.144485 16.49984       6.458955      28.98276       12.41208      4.014087       3.583349      50.41277 12.38345 20.60142 7.129152 29.81135       14.28897 
1 1 1 7  11 37 o 42.39371 7.954846 21.16854       7.134109      29.51410       11.80989      12.82298       8.005506      50.68278 11.85082 34.10464 10.61492 16.57814       15.90969 
1 1 1 7  11 38 o 28.64829 7.680372 4.195451       7.042011      -3.802261      11.49817      12.19245       8.133026      24.16583 10.97146 33.13075 10.75079 -8.964914      15.36074 
1 1 1 7  11 39 o 52.95715 7.357383 31.98660       7.622942      31.25689       12.49000      32.72338       8.742295      50.68412 12.40509 55.23018 7.914419 -4.546055      14.71477 
1 1 1 7  11 40 o 106.0161 4.312829 118.8074       9.089437      113.9190       13.97775      123.6957       11.62569      103.1665 6.774365 108.8656 5.339469 -5.699104      8.625657 
1 1 1 7  11 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  11 42 o 27.73921 7.533258 9.691620       5.908488      9.783719       9.046929      9.592437       7.601687      27.90702 11.01172 27.57140 10.28309 0.3356171      15.06652 
1 1 1 7  11 43 o 18.23617 5.995356 -3.316971      5.337476      4.069347       8.458915      -10.70471      6.512797      22.81762 9.927122 13.65471 6.725281 9.162908       11.99071 
1 1 1 7  11 44 o 49.03073 6.175850 31.66780       5.803638      27.71463       8.664365      35.61387       7.729208      43.80215 10.09133 54.25931 7.122472 -10.45716      12.35170 
1 1 1 7  12 0  o 198.8054 2.875345 395.5286       11.42733      395.5286       11.42733      395.5286       11.42733      198.8054 2.875345 198.8054 2.875345 0.000000       0.000000 
1 1 1 7  12 1  o 319.8385 2.640716 1023.004       16.89658      1026.547       23.95275      1020.171       23.82524      320.3365 3.738686 319.3404 3.730382 0.9960938      5.281432 
1 1 1 7  12 2  o 34.72041 4.207767 12.26330       2.855061      11.75322       4.110437      12.77339       3.963080      33.71567 6.328996 35.72516 5.546622 -2.009495      8.415534 
1 1 1 7  12 3  o 142.6617 1.904170 203.5382       5.430991      200.4919       7.658363      206.6554       7.707955      141.5817 2.704573 143.7417 2.681182 -2.160004      3.808340 
1 1 1 7  12 4  o 394.4266 3.585624 1556.469       28.28848      1530.964       39.24114      1582.681       40.76431      391.1534 5.016081 397.6998 5.125011 -6.546387      7.171248 
1 1 1 7  12 5  o 220.1963 2.447375 485.0061       10.77555      481.6763       15.05460      488.3358       15.43008      219.4410 3.430216 220.9516 3.491732 -1.510651      4.894750 
1 1 1 7  12 6  o 404.0823 4.078969 1633.690       32.99260      1646.442       51.16439      1621.646       41.65696      405.5864 6.307459 402.5782 5.173773 3.008148       8.157939 
1 1 1 7  12 7  o 101.3439 2.595626 102.7963       5.254587      99.46662       7.630026      106.0552       7.226208      99.71786 3.825807 102.9700 3.508890 -3.252144      5.191253 
1 1 1 7  12 8  o 275.7065 3.399358 760.8772       18.74563      769.3787       26.24814      751.6674       26.75822      277.3138 4.732570 274.0993 4.881118 3.214447       6.798716 
1 1 1 7  12 9  o 86.22439 3.062818 74.38744       5.263797      76.15857       6.371107      72.61631       8.380984      87.25614 3.650807 85.19263 4.918844 2.063507       6.125636 
1 1 1 7  12 10 o 109.0926 2.473758 119.1616       5.391318      126.5295       7.637110      111.7937       7.608772      112.4695 3.395192 105.7158 3.598692 6.753677       4.947516 
1 1 1 7  12 11 o 187.4494 2.246894 351.5338       8.444746      340.9070       10.68345      362.1606       13.08510      184.6191 2.893376 190.2796 3.438388 -5.660507      4.493789 
1 1 1 7  12 12 o 340.1392 3.039787 1157.610       20.64428      1189.491       27.60837      1125.730       30.69721      344.8325 4.003157 335.4460 4.575583 9.386505       6.079574 
1 1 1 7  12 13 o 377.1462 3.539515 1423.280       26.70155      1424.697       37.90217      1421.863       37.61171      377.3332 5.022374 376.9593 4.988829 0.3739014      7.079029 
1 1 1 7  12 14 o 515.0978 3.936310 2655.277       40.55178      2675.823       57.80258      2635.441       56.89576      517.0541 5.589606 513.1415 5.543867 3.912659       7.872621 
1 1 1 7  12 15 o 166.3022 2.749692 276.9338       9.124859      293.8658       12.68837      260.0018       13.11344      171.3941 3.701520 161.2104 4.067182 10.18365       5.499384 
1 1 1 7  12 16 o 686.4203 5.128308 4718.998       70.43428      4833.767       101.9462      4604.229       97.19958      694.7574 7.336822 678.0831 7.167233 16.67426       10.25662 
1 1 1 7  12 17 o 362.8939 3.014879 1317.720       21.88408      1321.971       31.14354      1313.470       30.74681      363.4781 4.284101 362.3096 4.243168 1.168549       6.029759 
1 1 1 7  12 18 o 301.6881 2.625987 911.0690       15.84807      925.9465       22.72713      895.4830       22.08953      304.2102 3.735433 299.1660 3.691851 5.044159       5.251973 
1 1 1 7  12 19 f 179.6028 2.404489 323.2665       8.678535      349.2667       13.27639      297.2664       11.17229      186.8328 3.553013 172.3727 3.240735 14.46010       4.808977 
1 1 1 7  12 20 o 473.9431 4.342031 2250.043       41.26731      2278.381       70.33509      2222.413       43.17305      476.6995 7.377298 471.1867 4.581311 5.512848       8.684062 
1 1 1 7  12 21 o 551.2357 4.330982 3045.634       47.70006      3019.421       75.30843      3071.847       58.53937      548.7023 6.862411 553.7692 5.285540 -5.066833      8.661964 
1 1 1 7  12 22 o 217.9171 2.375673 475.3712       10.35756      477.1423       16.05352      473.6000       13.09219      218.3008 3.676926 217.5334 3.009237 0.7674408      4.751346 
1 1 1 7  12 23 o 158.4018 2.395019 251.2170       7.573349      248.0998       12.04368      254.3342       9.188620      157.3932 3.825985 159.4104 2.882065 -2.017181      4.790038 
1 1 1 7  12 24 o 117.3428 3.112535 138.2898       7.073183      125.6085       12.81589      150.9711       5.984292      111.8584 5.728621 122.8272 2.436061 -10.96879      6.225070 
1 1 1 7  12 25 o 112.1744 2.053396 126.1753       4.671531      137.0854       7.785885      115.3360       5.168156      116.9962 3.327409 107.3527 2.407092 9.643532       4.106792 
1 1 1 7  12 26 o 410.8737 3.383627 1694.617       27.77839      1685.407       44.20031      1703.827       33.66563      409.5451 5.396268 412.2023 4.083630 -2.657166      6.767255 
1 1 1 7  12 27 o 37.58066 3.833049 14.53035       2.722580      11.90199       4.150819      17.16579       3.525256      33.81039 6.371753 41.35093 4.262608 -7.540543      7.666099 
1 1 1 7  12 28 o 66.79918 2.319929 44.75999       3.112937      47.02703       4.839434      42.50002       3.916321      68.47562 3.533691 65.12273 3.006877 3.352890       4.639858 
1 1 1 7  12 29 o 110.5728 1.927322 122.5622       4.282591      126.9546       6.890402      118.1698       5.087392      112.5243 3.061739 108.6213 2.341802 3.903015       3.854645 
1 1 1 7  12 30 o 136.7502 1.928970 187.4563       5.297802      192.9114       8.551013      182.0013       6.254212      138.6991 3.082577 134.8013 2.319789 3.897781       3.857940 
1 1 1 7  12 31 o 30.79393 6.470742 8.742295       5.404070      8.947746       10.46383      8.543928       2.713370      32.46997 12.07365 29.11788 4.659286 3.352095       12.94148 
1 1 1 7  12 32 o 43.58648 6.288560 20.29006       5.935409      24.85957       11.56193      15.72054       2.687157      47.61288 12.10988 39.56007 3.396300 8.052803       12.57712 
1 1 1 7  12 33 o 39.75066 7.095161 14.11944       7.183701      6.275465       13.62353      21.96201       4.586517      32.87726 13.31061 46.62407 4.918616 -13.74681      14.19032 
1 1 1 7  12 34 o 77.71893 5.587811 62.54212       8.310139      57.49086       15.60719      67.58630       5.723582      73.50996 10.61570 81.92790 3.493060 -8.417938      11.17562 
1 1 1 7  12 35 o 86.99657 4.373413 77.50462       7.254546      69.47079       13.51726      85.51013       5.263797      81.73959 8.268491 92.25356 2.852896 -10.51398      8.746825 
1 1 1 7  12 36 o 101.3066 3.702204 104.7800       7.658363      112.0771       14.46659      97.48296       5.042760      104.1073 6.947919 98.50592 2.559623 5.601418       7.404408 
1 1 1 7  12 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  12 38 o 104.4346 4.360531 113.8482       9.238212      128.7965       15.02626      98.89986       10.76138      110.9191 6.773526 97.95020 5.493293 12.96886       8.721062 
1 1 1 7  12 39 o 127.6529 4.097043 170.1701       10.41424      164.1483       15.86224      176.2628       13.50309      124.8318 6.353445 130.4740 5.174630 -5.642227      8.194086 
1 1 1 7  12 40 o 65.00687 6.313441 47.22540       8.182618      47.61504       13.04260      46.82866       9.882903      64.27779 10.14549 65.73594 7.517123 -1.458145      12.62688 
1 1 1 7  12 41 o 71.02812 5.725077 58.55354       8.104689      58.95736       12.73088      58.15680       10.02459      69.97321 9.096966 72.08303 6.953504 -2.109818      11.45015 
1 1 1 7  12 42 o 35.83308 6.435046 14.82081       6.077100      1.298592       9.167366      28.34516       7.984251      22.39428 9.999651 49.27189 8.102238 -26.87761      12.87009 
1 1 1 7  12 43 o 19.49355 6.270125 -0.4980416E-01 5.405487      5.682492       8.600604      -5.782383      6.552470      23.57734 10.12920 15.40976 7.393054 8.167580       12.54025 
1 1 1 7  12 44 f 54.06808 5.673392 37.93759       6.132358      38.15722       8.947746      37.72506       8.388069      53.74857 8.323707 54.38759 7.711381 -0.6390266     11.34678 
1 1 1 7  13 0  o 803.7346 9.703528 6469.582       155.9302      6469.582       155.9302      6469.582       155.9302      803.7346 9.703528 803.7346 9.703528 0.000000       0.000000 
1 1 1 7  13 1  o 254.4306 2.679849 647.5249       13.63770      645.2579       19.00068      649.8628       19.56744      253.9794 3.740594 254.8819 3.838530 -0.9025269     5.359697 
1 1 1 7  13 2  o 504.3743 4.441649 2546.176       44.80249      2562.470       63.56229      2529.881       63.16556      505.9883 6.281005 502.7604 6.281875 3.227875       8.883298 
1 1 1 7  13 3  o 172.5089 2.321264 298.0457       8.005506      318.3782       11.50526      277.6422       11.12978      178.4116 3.224357 166.6060 3.340148 11.80559       4.642529 
1 1 1 7  13 4  o 320.3892 3.090070 1027.255       19.80123      1025.130       27.77131      1028.672       28.23180      320.1138 4.337724 320.6645 4.402078 -0.5506897     6.180140 
1 1 1 7  13 5  o 237.7574 2.433572 565.4863       11.55485      577.6007       15.38049      553.3716       17.25080      240.3083 3.200158 235.2065 3.667162 5.101837       4.867143 
1 1 1 7  13 6  o 491.3077 3.764285 2415.821       36.99535      2463.287       53.28266      2367.646       51.34150      496.1691 5.369405 486.4464 5.277201 9.722748       7.528569 
1 1 1 7  13 7  o 360.8805 2.924791 1302.843       21.11186      1295.758       29.70539      1309.927       30.00293      359.8996 4.126899 361.8614 4.145639 -1.961792      5.849583 
1 1 1 7  13 8  o 114.7587 2.092230 131.8429       4.801886      123.9082       6.633943      139.7775       6.944952      111.3022 2.980149 118.2153 2.937417 -6.913101      4.184460 
1 1 1 7  13 9  o 395.2951 3.412007 1563.553       27.01326      1588.349       41.43734      1538.757       34.65746      398.4120 5.200314 392.1783 4.418585 6.233673       6.824013 
1 1 1 7  13 10 o 540.3248 4.444228 2921.655       48.05429      2945.034       73.18307      2898.985       62.30125      542.4192 6.745988 538.2305 5.787599 4.188721       8.888456 
1 1 1 7  13 11 o 268.9059 2.635649 723.3293       14.16904      718.3701       21.40941      728.2885       18.56144      267.9781 3.994619 269.8338 3.439421 -1.855621      5.271299 
1 1 1 7  13 12 o 630.2233 6.128629 3979.374       77.15040      4012.671       98.47480      3946.785       118.8782      632.9526 7.779003 627.4939 9.472460 5.458740       12.25726 
1 1 1 7  13 13 o 743.1211 7.164802 5539.384       106.8345      5390.610       130.7094      5688.160       168.9658      733.3839 8.911387 752.8583 11.22162 -19.47443      14.32960 
1 1 1 7  13 14 o 295.4076 3.334116 872.8126       19.69496      873.5211       22.20288      872.8126       32.53919      295.4991 3.756845 295.3161 5.509213 0.1829224      6.668231 
1 1 1 7  13 15 o 192.2195 2.647279 369.7410       10.20879      358.5474       12.73796      380.8637       15.95433      189.3251 3.364046 195.1140 4.088465 -5.788940      5.294559 
1 1 1 7  13 16 o 532.7513 4.442104 2841.600       47.31041      2860.020       62.15247      2823.889       71.34109      534.4942 5.814139 531.0084 6.717511 3.485779       8.884209 
1 1 1 7  13 17 o 370.5192 3.319589 1374.396       24.58328      1385.732       32.30540      1362.353       37.06620      372.1183 4.340744 368.9202 5.023607 3.198090       6.639178 
1 1 1 7  13 18 f 447.5928 3.515449 2005.627       31.46943      1999.251       44.46952      2012.003       44.54036      446.8809 4.975544 448.3047 4.967644 -1.423798      7.030898 
1 1 1 7  13 19 o 514.3107 3.943439 2649.610       40.57304      2694.242       58.36934      2604.269       56.36443      518.6710 5.626819 509.9505 5.526461 8.720490       7.886879 
1 1 1 7  13 20 o 278.9207 2.532999 778.5886       14.16195      792.0491       22.62086      765.1279       17.04535      281.3057 4.020690 276.5356 3.081945 4.770142       5.065998 
1 1 1 7  13 21 o 298.8803 3.055529 894.7746       18.19304      878.4802       30.59095      911.0690       19.69496      296.0574 5.166388 301.7032 3.263963 -5.645752      6.111057 
1 1 1 7  13 22 o 298.6703 2.710965 893.3577       16.18104      887.6901       25.86557      899.0253       19.43991      297.6606 4.344810 299.6800 3.243446 -2.019409      5.421929 
1 1 1 7  13 23 o 458.3456 4.194290 2109.770       38.23514      2055.927       63.73941      2162.903       42.25915      452.1614 7.048302 464.5299 4.548594 -12.36844      8.388579 
1 1 1 7  13 24 o 147.8889 2.106022 218.9825       6.210288      214.5900       9.946663      223.3748       7.438744      146.3802 3.397545 149.3977 2.489578 -3.017548      4.212043 
1 1 1 7  13 25 o 153.9046 2.122788 237.1897       6.540427      238.6774       10.65512      235.7019       7.587519      154.3537 3.451525 153.4554 2.472223 0.8983459      4.245575 
1 1 1 7  13 26 o 258.4247 2.475391 669.4161       12.78047      665.0237       20.55219      673.8793       15.19629      257.4768 3.991075 259.3727 2.929432 -1.895844      4.950782 
1 1 1 7  13 27 o 141.3701 2.212909 200.3502       6.266256      202.1921       10.53468      198.4373       6.793344      141.9676 3.710242 140.7727 2.412878 1.194901       4.425819 
1 1 1 7  13 28 o 113.9843 2.004549 130.2134       4.585100      133.7557       7.339560      126.6712       5.499711      115.5054 3.177151 112.4633 2.445115 3.042130       4.009099 
1 1 1 7  13 29 o 95.06515 2.054327 90.61098       3.883733      86.57281       6.054429      94.72000       4.866355      92.89710 3.258675 97.23319 2.502415 -4.336090      4.108654 
1 1 1 7  13 30 o 94.74274 2.035843 89.97337       3.858228      90.18591       5.945328      89.83168       4.918780      94.81181 3.135331 94.67368 2.597755 0.1381378      4.071687 
1 1 1 7  13 31 o 112.9167 1.961519 128.0172       4.398777      119.3033       6.682117      136.6604       5.722874      109.0513 3.063751 116.7821 2.450236 -7.730820      3.923038 
1 1 1 7  13 32 o 73.17511 5.163013 54.79166       7.127024      48.28099       13.51726      61.29525       4.525590      68.18694 9.911914 78.16329 2.894958 -9.976357      10.32603 
1 1 1 7  13 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 34 o 185.5975 3.330319 348.9125       12.49709      366.4113       21.78489      331.3429       12.25622      189.7279 5.741089 181.4671 3.376980 8.260788       6.660638 
1 1 1 7  13 35 f 141.7583 3.288020 203.8924       9.422408      212.3938       17.27205      195.3201       7.545012      144.0866 5.993637 139.4300 2.705663 4.656631       6.576039 
1 1 1 7  13 36 o 71.78548 4.822336 53.36768       6.937160      55.05379       13.11344      51.68156       4.525590      71.95335 9.112461 71.61759 3.159552 0.3357620      9.644672 
1 1 1 7  13 37 o 50.98156 12.56405 0.000000       0.000000      ?              ?             31.16479       12.74505      ?        ?        50.98156 12.56405 ?              ?        
1 1 1 7  13 38 o 96.41333 4.771518 97.83719       9.131943      94.08241       14.43825      101.5920       11.17937      93.84080 7.692948 98.98586 5.646953 -5.145058      9.543036 
1 1 1 7  13 39 o 32.22142 8.350013 12.41916       7.346645      20.15545       12.11453      4.687117       8.317224      39.24559 13.12184 25.19725 10.32997 14.04834       16.70003 
1 1 1 7  13 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  13 42 o 41.60480 8.607616 26.28356       7.764632      25.83724       9.535762      26.73697       12.25622      42.87542 11.05294 40.33419 13.19836 2.541222       17.21523 
1 1 1 7  13 43 o 31.00877 8.282797 16.22355       7.396237      18.02301       9.061099      14.41699       11.68946      33.20137 11.34834 28.81617 12.06790 4.385199       16.56559 
1 1 1 7  14 0  o 669.5780 9.987743 4490.876       133.6848      4490.876       133.6848      4490.876       133.6848      669.5780 9.987743 669.5780 9.987743 0.000000       0.000000 
1 1 1 7  14 1  o 227.8450 2.875539 519.5786       13.04968      495.8454       19.73038      543.3116       17.08786      222.6314 4.431177 233.0586 3.666000 -10.42720      5.751077 
1 1 1 7  14 2  o 446.8160 4.031098 1997.834       36.02477      1976.581       50.61179      2019.088       51.27774      444.4396 5.693889 449.1924 5.707770 -4.752777      8.062196 
1 1 1 7  14 3  o 335.0141 3.233264 1122.896       21.66446      1106.602       30.44217      1139.190       30.83182      332.5831 4.576627 337.4450 4.568421 -4.861938      6.466528 
1 1 1 7  14 4  o 641.3442 5.190651 4118.230       66.53779      4068.639       99.67917      4167.822       88.13139      637.4316 7.818814 645.2568 6.829173 -7.825195      10.38130 
1 1 1 7  14 5  o 221.4375 2.245907 490.4612       9.946663      490.1070       14.14070      490.8154       13.99192      221.3572 3.194090 221.5178 3.158194 -0.1605377     4.491815 
1 1 1 7  14 6  o 273.4119 2.469368 748.1251       13.50309      752.3758       19.24155      743.1660       18.95109      274.2534 3.507988 272.5703 3.476366 1.683014       4.938735 
1 1 1 7  14 7  o 280.3463 2.505366 786.3815       14.05568      811.8857       20.44592      760.8772       19.29114      284.8926 3.588355 275.8000 3.497306 9.092590       5.010733 
1 1 1 7  14 8  o 144.2103 2.129535 208.0723       6.141568      217.2822       8.855647      198.9332       8.515590      147.3906 3.004142 141.0299 3.019073 6.360764       4.259069 
1 1 1 7  14 9  o 284.6487 2.531611 810.4688       14.41699      807.6351       20.36799      813.3027       20.39633      284.1510 3.584008 285.1465 3.576465 -0.9954529     5.063222 
1 1 1 7  14 10 o 422.9976 3.348255 1790.258       28.33099      1803.718       40.35341      1776.797       39.76540      424.5870 4.752078 421.4082 4.718157 3.178833       6.696510 
1 1 1 7  14 11 o 193.3807 2.195463 374.0626       8.494337      373.2124       12.03660      374.9127       11.97992      193.1608 3.115693 193.6007 3.093977 -0.4398804     4.390927 
1 1 1 7  14 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 13 o 286.8591 3.429117 823.9294       19.58161      781.4223       29.57078      866.4365       25.68138      279.4379 5.291118 294.2803 4.363421 -14.84238      6.858234 
1 1 1 7  14 14 o 467.6337 4.017610 2189.116       37.51252      2131.023       55.84726      2247.209       50.09462      461.4002 6.051932 473.8673 5.285723 -12.46710      8.035220 
1 1 1 7  14 15 o 231.3471 2.966591 535.8021       13.72979      559.8894       19.83665      511.7147       18.98651      236.5500 4.192908 226.1442 4.197876 10.40581       5.933182 
1 1 1 7  14 16 o 285.1841 3.076568 814.0111       17.54835      833.1393       25.18546      794.8829       24.44867      288.5346 4.364375 281.8335 4.337431 6.701080       6.153135 
1 1 1 7  14 17 o 278.2174 2.785130 774.3378       15.47259      792.7576       20.38924      756.6265       23.27264      281.4767 3.621834 274.9581 4.232034 6.518646       5.570260 
1 1 1 7  14 18 o 167.4469 2.408930 280.6177       8.033843      292.0238       10.41424      269.2825       12.24205      170.8495 3.047783 164.0443 3.731325 6.805222       4.817859 
1 1 1 7  14 19 o 169.9893 2.397376 289.1900       8.133026      296.5579       10.49926      281.8221       12.41916      172.1652 3.049181 167.8133 3.700290 4.351883       4.794753 
1 1 1 7  14 20 o 200.6516 2.793205 403.1091       11.20062      404.6677       12.47583      401.5504       18.60394      201.0870 3.102099 200.2163 4.645961 0.8706512      5.586410 
1 1 1 7  14 21 o 91.16109 2.735898 83.31393       4.975457      87.49380       6.802555      79.06322       7.261631      93.47743 3.638608 88.84475 4.086697 4.632683       5.471797 
1 1 1 7  14 22 o 183.7373 2.303662 338.2149       8.515590      354.3676       13.63770      321.9913       10.20170      188.1122 3.624883 179.3623 2.843882 8.749878       4.607325 
1 1 1 7  14 23 o 276.1646 2.703893 763.7111       14.94125      768.6702       23.16637      759.4603       18.88024      276.9476 4.182447 275.3817 3.428013 1.565887       5.407785 
1 1 1 7  14 24 o 98.63867 2.327102 97.41212       4.583683      96.42028       7.389152      98.47480       5.423907      98.09536 3.766311 99.18198 2.734321 -1.086617      4.654203 
1 1 1 7  14 25 o 264.4458 2.536773 700.9422       13.41808      702.4300       21.52985      699.4545       16.02518      264.6389 4.067779 264.2527 3.032169 0.3861389      5.073547 
1 1 1 7  14 26 o 142.0895 2.295430 202.3338       6.524841      202.1921       9.783719      202.5464       8.628942      142.0063 3.444820 142.1727 3.034670 -0.1664124     4.590861 
1 1 1 7  14 27 o 90.64247 2.298101 82.46378       4.211038      89.05238       6.857813      75.94603       4.888317      94.21941 3.639278 87.06554 2.807263 7.153877       4.596202 
1 1 1 7  14 28 o 59.01506 2.766537 35.01168       3.243292      33.09887       5.034258      36.91742       4.089892      57.37083 4.387472 60.65929 3.371200 -3.288456      5.533073 
1 1 1 7  14 29 o 122.4694 2.072943 150.6169       5.025757      138.2898       7.757547      162.9439       6.388818      117.4075 3.303684 127.5313 2.504804 -10.12381      4.145886 
1 1 1 7  14 30 o 123.3424 2.058483 152.6714       5.045594      144.0283       7.764632      161.3853       6.443369      119.7909 3.240910 126.8939 2.538881 -7.102974      4.116967 
1 1 1 7  14 31 o 123.7272 2.065336 153.7340       5.144777      162.8022       8.210957      144.6659       6.203204      127.3344 3.224171 120.1200 2.582086 7.214394       4.130672 
1 1 1 7  14 32 o 64.39465 2.672533 41.72073       3.441658      41.22481       4.863521      42.21664       4.871314      64.00991 3.799038 64.77940 3.759926 -0.7694855     5.345066 
1 1 1 7  14 33 o 63.26045 7.037782 42.83300       8.423491      42.35125       16.12436      43.32183       4.862104      60.95768 13.57839 65.56322 3.707951 -4.605549      14.07556 
1 1 1 7  14 34 o 77.58898 4.747894 61.76991       7.054762      57.34209       13.68729      66.19065       3.434574      73.92463 9.257597 81.25333 2.113497 -7.328705      9.495788 
1 1 1 7  14 35 o 121.2124 3.647142 149.6250       8.749379      147.2163       16.11019      152.0338       6.840102      119.4540 6.743261 122.9708 2.781189 -3.516800      7.294284 
1 1 1 7  14 36 o 85.13058 6.742864 79.91336       11.44150      57.35626       14.49492      102.5130       17.70421      72.55122 9.989442 97.70993 9.059576 -25.15871      13.48573 
1 1 1 7  14 37 o 22.79013 7.017596 2.938658       6.310889      5.282216       12.09327      0.5954537      3.618063      29.63936 12.33460 15.94090 6.696584 13.69847       14.03519 
1 1 1 7  14 38 o 38.85664 9.332776 18.24972       9.018591      10.19462       12.08619      26.30482       13.39682      32.27802 12.73046 45.43525 13.65058 -13.15723      18.66555 
1 1 1 7  14 39 o 67.82407 9.033165 58.48978       12.17120      74.95419       19.26280      42.02536       14.87749      78.45387 12.27652 57.19426 13.25441 21.25961       18.06633 
1 1 1 7  14 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  14 41 o 28.75238 8.350183 11.00226       7.885069      15.15378       13.56685      6.847187       8.048012      32.15051 13.18898 25.35426 10.24466 6.796244       16.70037 
1 1 1 7  14 42 o 32.59026 8.557709 18.48351       7.750463      27.58711       13.69437      9.379901       7.247461      38.57266 13.87766 26.60786 10.01738 11.96480       17.11542 
1 1 1 7  14 43 o 17.56131 6.123127 -7.346645      7.488335      -7.601687      13.25513      -7.098687      6.960539      20.05920 9.820401 15.06342 7.316450 4.995778       12.24625 
1 1 1 7  15 0  o 553.8976 5.965032 3070.430       66.06313      3070.430       66.06313      3070.430       66.06313      553.8976 5.965032 553.8976 5.965032 0.000000       0.000000 
1 1 1 7  15 1  o 210.0652 2.237575 441.6488       9.408240      463.3275       13.78647      419.9702       12.80881      215.2233 3.202829 204.9072 3.125515 10.31615       4.475149 
1 1 1 7  15 2  o 261.8008 2.454989 685.5688       12.85132      689.3944       18.29222      681.8140       18.06552      262.5242 3.483913 261.0773 3.459802 1.446838       4.909978 
1 1 1 7  15 3  o 381.5001 3.345119 1455.868       25.51135      1465.078       33.75773      1447.367       38.26348      382.6735 4.410774 380.3266 5.030345 2.346954       6.690239 
1 1 1 7  15 4  o 522.0936 4.636540 2728.956       48.41560      2755.169       69.37868      2702.035       67.55797      524.6309 6.612142 519.5563 6.501506 5.074646       9.273080 
1 1 1 7  15 5  o 545.8521 4.820473 2982.582       52.63088      2993.917       75.02505      2971.247       73.82067      546.8859 6.859295 544.8183 6.774798 2.067627       9.640945 
1 1 1 7  15 6  o 367.9225 3.509406 1354.560       25.83015      1321.971       36.05311      1387.149       36.98827      363.4962 4.959214 372.3489 4.966883 -8.852692      7.018813 
1 1 1 7  15 7  o 224.2166 2.677293 503.0716       12.02243      524.2543       17.88132      481.9598       16.08185      228.9287 3.905434 219.5044 3.663220 9.424347       5.354586 
1 1 1 7  15 8  o 540.5809 4.484586 2925.198       48.53603      2957.078       74.17490      2893.317       62.59172      543.4856 6.823999 537.6763 5.820576 5.809265       8.969172 
1 1 1 7  15 9  o 842.9130 7.680355 7127.025       130.0717      7318.307       216.2195      6940.702       144.6659      853.5840 12.66539 832.2419 8.691335 21.34216       15.36071 
1 1 1 7  15 10 o 89.21884 2.866164 79.70082       5.111480      76.65448       7.204955      82.67632       7.254546      87.53159 4.115631 90.90608 3.990133 -3.374489      5.732328 
1 1 1 7  15 11 o 521.9591 4.047003 2726.831       42.24498      2747.376       60.19715      2706.286       59.29741      523.9238 5.744838 519.9945 5.701735 3.929260       8.094007 
1 1 1 7  15 12 o 501.7559 4.265430 2519.963       42.79049      2510.045       64.78791      2529.881       55.91810      500.7332 6.469306 502.7787 5.560906 -2.045532      8.530861 
1 1 1 7  15 13 o 355.9563 3.092990 1267.420       22.01868      1278.755       31.24981      1256.793       31.03019      357.4981 4.370626 354.4146 4.377669 3.083527       6.185981 
1 1 1 7  15 14 o 189.8004 2.659641 360.4603       10.10961      367.9698       15.49384      352.9507       13.00009      191.7705 4.039683 187.8303 3.460594 3.940155       5.319282 
1 1 1 7  15 15 o 107.6553 2.891579 116.3278       6.272632      128.4423       9.776634      104.1424       7.856731      113.2904 4.314854 102.0201 3.850580 11.27033       5.783159 
1 1 1 7  15 16 o 356.3840 3.256135 1271.671       23.20888      1270.963       35.21006      1271.671       30.24380      356.3085 4.940951 356.4596 4.242249 -0.1510620     6.512271 
1 1 1 7  15 17 o 216.5212 2.536476 469.1368       10.96683      460.8479       16.50693      477.4256       14.45242      214.5984 3.846004 218.4440 3.308036 -3.845612      5.072953 
1 1 1 7  15 18 o 398.6308 3.504653 1591.183       27.92717      1582.681       42.23081      1599.684       36.56320      397.5267 5.311696 399.7349 4.573431 -2.208252      7.009306 
1 1 1 7  15 19 o 141.1378 2.460656 199.5000       6.981084      210.4810       10.88182      188.5899       8.742295      145.0011 3.752324 137.2744 3.184240 7.726624       4.921313 
1 1 1 7  15 20 f 308.5392 2.948806 953.5761       18.19304      957.1183       23.71897      950.0338       27.58711      309.1523 3.836129 307.9261 4.479502 1.226196       5.897612 
1 1 1 7  15 21 o 108.1871 3.269614 117.1779       7.074599      117.1779       7.074599      ?              ?             108.1871 3.269614 ?        ?        ?              ?        
1 1 1 7  15 22 o 179.4142 2.408151 322.4872       8.607689      335.9478       11.22188      309.0266       13.05677      183.1843 3.063001 175.6440 3.716826 7.540283       4.816302 
1 1 1 7  15 23 o 147.2014 2.212870 216.9988       6.507838      221.7454       8.763549      212.2522       9.620775      148.8229 2.944288 145.5800 3.304292 3.242889       4.425741 
1 1 1 7  15 24 o 107.6592 2.503913 116.4695       5.494043      128.5840       9.280719      104.3549       5.876608      113.2352 4.097983 102.0832 2.878341 11.15198       5.007825 
1 1 1 7  15 25 o 230.7930 2.415918 534.1018       11.20771      552.0965       18.29222      516.1780       12.95758      234.5876 3.898805 226.9985 2.854112 7.589050       4.831836 
1 1 1 7  15 26 o 152.0418 2.192081 231.7346       6.636776      225.0751       10.59844      238.3940       7.991336      149.8050 3.537412 154.2786 2.589904 -4.473618      4.384163 
1 1 1 7  15 27 o 140.9440 2.188458 199.5000       6.243586      215.5819       10.30089      183.4182       7.062556      146.5813 3.513712 135.3067 2.609831 11.27454       4.376916 
1 1 1 7  15 28 o 27.22214 5.621925 7.750463       3.280132      9.089437       5.127066      6.407238       4.091309      29.44757 8.331580 24.99670 7.550426 4.450876       11.24385 
1 1 1 7  15 29 o 105.3850 2.202116 111.4395       4.641068      111.5812       7.268716      111.2978       5.774590      105.4115 3.447781 105.3585 2.740449 0.5300903E-01  4.404232 
1 1 1 7  15 30 o 157.9088 2.175405 250.2252       6.847187      243.8491       10.83223      256.6012       8.373900      155.8237 3.475796 159.9939 2.616944 -4.170181      4.350811 
1 1 1 7  15 31 o 39.68742 4.231162 16.00393       3.372939      17.41375       5.146194      14.59411       4.361938      41.41752 6.212582 37.95731 5.745847 3.460209       8.462324 
1 1 1 7  15 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 33 o 137.7092 2.139869 190.6444       5.902112      194.9659       8.997337      186.2520       7.644195      139.2356 3.230976 136.1828 2.806592 3.052750       4.279739 
1 1 1 7  15 34 o 51.32870 6.822810 28.30973       6.711873      24.97293       12.74505      31.64654       4.219539      46.65738 13.11523 56.00001 3.767445 -9.342628      13.64562 
1 1 1 7  15 35 o 100.7276 5.294361 107.2596       11.50526      129.5050       22.60670      85.01421       4.296760      109.4428 10.32808 92.01239 2.334881 17.43044       10.58872 
1 1 1 7  15 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  15 37 o 41.84453 8.909675 23.89608       10.05293      36.62696       19.74455      11.17229       3.777465      51.41233 16.75195 32.27673 6.074653 19.13560       17.81935 
1 1 1 7  15 38 o 35.39856 6.272677 3.382149       8.933578      -14.63661      17.55543      21.40233       3.304219      24.98825 12.01578 45.80887 3.606528 -20.82062      12.54535 
1 1 1 7  15 39 o 51.26512 17.23487 55.99603       20.89933      55.99603       20.89933      ?              ?             51.26512 17.23487 ?        ?        ?              ?        
1 1 1 7  15 40 o 93.41742 4.751735 96.27859       8.912323      106.6928       13.54560      85.86436       11.59027      98.26511 6.892375 88.56974 6.543020 9.695366       9.503470 
1 1 1 7  15 41 o 26.17672 7.074190 6.072848       5.963747      -2.843017      8.586436      14.99084       8.281801      19.52099 9.081197 32.83245 10.84936 -13.31146      14.14838 
1 1 1 7  15 42 o 37.73210 7.541957 21.60069       6.090560      27.68630       9.316141      15.51509       7.849646      43.41191 10.76838 32.05228 10.56250 11.35963       15.08391 
1 1 1 7  15 43 f 18.11871 6.008362 -0.6455413     5.499711      1.163278       8.175533      -2.454077      7.360813      19.26950 8.924462 16.96793 8.047089 2.301569       12.01672 
1 1 1 7  16 0  o 351.6981 4.184177 1237.665       29.42200      1237.665       29.42200      1237.665       29.42200      351.6981 4.184177 351.6981 4.184177 0.000000       0.000000 
1 1 1 7  16 1  o 466.0060 3.656573 2172.822       34.08361      2175.655       48.28099      2169.988       48.11096      466.3096 5.176924 465.7025 5.165419 0.6071777      7.313145 
1 1 1 7  16 2  o 379.7437 3.126005 1443.116       23.75439      1495.542       34.59370      1390.691       32.56753      386.6418 4.473611 372.8456 4.367428 13.79614       6.252009 
1 1 1 7  16 3  o 642.0504 4.833563 4126.732       62.08163      4120.355       87.70633      4132.399       87.84802      641.5820 6.835161 642.5189 6.836221 -0.9368896     9.667127 
1 1 1 7  16 4  o 200.5920 2.283162 402.5423       9.160281      410.7603       13.12053      394.2534       12.78755      202.6487 3.237260 198.5353 3.220474 4.113358       4.566323 
1 1 1 7  16 5  f 255.4266 2.468398 652.7675       12.61753      674.7295       18.32765      630.8763       17.34290      259.7166 3.528393 251.1365 3.452883 8.580139       4.936797 
1 1 1 7  16 6  o 152.2316 2.294593 231.8763       6.986042      241.6529       10.06001      222.1705       9.698705      155.4303 3.236183 149.0329 3.253881 6.397400       4.589185 
1 1 1 7  16 7  o 136.6818 2.482313 187.3147       6.820265      170.0993       8.735210      204.4592       10.47800      130.4015 3.349353 142.9621 3.664608 -12.56067      4.964627 
1 1 1 7  16 8  o 304.7264 3.209863 929.4888       19.56035      921.6958       27.93425      936.5732       27.38875      303.5042 4.601956 305.9487 4.476035 -2.444580      6.419727 
1 1 1 7  16 9  o 235.2556 2.960455 553.7259       13.92108      543.2408       20.09169      564.2819       19.27697      233.0174 4.311201 237.4939 4.058415 -4.476501      5.920911 
1 1 1 7  16 10 o 194.7444 2.958774 379.5885       11.54776      393.4741       17.32873      365.6320       15.26005      198.3131 4.369034 191.1758 3.991104 7.137253       5.917548 
1 1 1 7  16 11 o 351.8985 3.616657 1239.791       25.44759      1205.785       35.91142      1273.088       36.06728      347.1176 5.172803 356.6794 5.055981 -9.561768      7.233314 
1 1 1 7  16 12 o 169.8292 3.213615 288.8358       10.92433      304.9177       16.06060      272.7539       14.82081      174.5594 4.600326 165.0990 4.488461 9.460342       6.427229 
1 1 1 7  16 13 o 227.9071 2.961072 519.7911       13.49601      518.4450       19.61703      521.0663       18.54018      227.6154 4.309249 228.1989 4.062286 -0.5834503     5.922144 
1 1 1 7  16 14 o 195.1264 5.052165 0.000000       0.000000      ?              ?             381.1471       19.71621      ?        ?        195.1264 5.052165 ?              ?        
1 1 1 7  16 15 o 240.7650 2.453099 580.0095       11.80989      575.4045       16.51401      584.6144       16.89658      239.8102 3.443142 241.7198 3.495075 -1.909561      4.906198 
1 1 1 7  16 16 o 207.8954 2.848508 433.0057       11.80989      405.6595       17.13037      460.2812       16.25188      201.3228 4.254452 214.4680 3.788882 -13.14525      5.697016 
1 1 1 7  16 17 o 301.5723 2.695465 910.3606       16.25897      935.1564       23.40725      885.5648       22.57836      305.6790 3.828730 297.4656 3.795121 8.213379       5.390929 
1 1 1 7  16 18 o 52.27452 4.003856 27.42417       4.166405      29.32990       5.641402      25.52552       6.132358      54.09938 5.213925 50.44967 6.077699 3.649704       8.007711 
1 1 1 7  16 19 o 214.1157 2.537897 459.0768       10.88182      468.3575       16.74072      449.7960       13.92108      216.2584 3.870536 211.9730 3.283692 4.285400       5.075793 
1 1 1 7  16 20 o 141.0458 2.718539 199.5000       7.594603      186.3228       11.95158      212.6064       9.379901      136.3613 4.382322 145.7303 3.218241 -9.368958      5.437078 
1 1 1 7  16 21 o 234.5299 2.926234 551.1755       13.72979      552.0965       22.41541      550.2545       15.85515      234.6459 4.776435 234.4140 3.381870 0.2318726      5.852467 
1 1 1 7  16 22 o 179.2803 2.627277 322.0622       9.422408      326.4546       13.59519      317.5989       13.04968      180.5083 3.765807 178.0522 3.664566 2.456131       5.254555 
1 1 1 7  16 23 o 127.5735 2.513720 163.0856       6.422115      161.3145       7.920490      164.8567       10.10961      126.9104 3.120504 128.2366 3.941778 -1.326210      5.027441 
1 1 1 7  16 24 o 62.26434 3.723828 39.07820       4.682158      35.38717       5.634317      42.76923       7.481250      59.35019 4.746672 65.17849 5.739049 -5.828304      7.447656 
1 1 1 7  16 25 o 80.88559 2.928879 65.70182       4.726081      63.90944       7.268716      67.48711       6.037426      79.75024 4.557175 82.02094 3.680418 -2.270699      5.857757 
1 1 1 7  16 26 o 148.6312 2.376042 221.6037       7.073891      225.8544       10.98100      217.2822       8.926493      150.0293 3.659619 147.2330 3.031416 2.796280       4.752084 
1 1 1 7  16 27 o 198.9748 2.339474 397.2997       9.344479      406.5096       15.16087      388.0191       10.91724      201.1940 3.767723 196.7556 2.774316 4.438477       4.678949 
1 1 1 7  16 28 o 85.27396 2.585603 73.11222       4.436325      77.00871       7.061139      69.15199       5.372899      87.52839 4.033628 83.01952 3.235925 4.508873       5.171205 
1 1 1 7  16 29 f 83.68788 2.685858 70.45553       4.513546      74.74166       6.930784      66.14814       5.784509      86.21823 4.019326 81.15753 3.563753 5.060699       5.371715 
1 1 1 7  16 30 o 109.5947 2.421338 120.6493       5.319056      123.6248       8.182618      117.7447       6.794053      110.8892 3.689548 108.3001 3.136678 2.589043       4.842676 
1 1 1 7  16 31 o 26.81412 8.733496 0.000000       0.000000      ?              ?             7.247461       5.366522      ?        ?        26.81412 8.733496 ?              ?        
1 1 1 7  16 32 o 25.97206 5.720745 6.092685       3.740625      0.7219123      5.348103      11.46275       5.231916      19.30388 8.127026 32.64025 8.053516 -13.33637      11.44149 
1 1 1 7  16 33 o 21.58898 5.355528 3.583349       3.124272      0.2084265      4.539051      6.958413       4.294635      17.42314 7.417544 25.75482 7.727015 -8.331680      10.71106 
1 1 1 7  16 34 o 17.97525 4.877627 0.9181535      2.811845      -3.245418      3.957411      5.081016       3.995668      13.35631 6.194752 22.59419 7.535916 -9.237878      9.755254 
1 1 1 7  16 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 36 o 57.93086 6.816473 37.08745       7.112856      30.74681       13.29056      43.42809       5.070390      50.44282 13.07054 65.41890 3.875324 -14.97608      13.63295 
1 1 1 7  16 37 o 31.40158 5.837084 3.971580       6.401570      -8.954830      12.12161      16.89658       4.130982      22.34038 10.49898 40.46279 5.104668 -18.12241      11.67417 
1 1 1 7  16 38 o 140.8925 3.561813 205.7344       9.939578      203.3965       17.64045      208.0723       9.167366      138.5995 6.363822 143.1855 3.201219 -4.586075      7.123625 
1 1 1 7  16 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  16 40 o 39.23561 8.727107 22.74130       8.558097      20.69388       14.56577      24.78873       8.983169      35.25850 13.95344 43.21273 10.48575 -7.954235      17.45421 
1 1 1 7  16 41 o 29.03831 8.142515 13.16303       7.516674      25.19254       12.90091      1.126438       7.707955      37.66245 13.47761 20.41418 9.140911 17.24827       16.28503 
1 1 1 7  16 42 o 26.70249 7.702612 10.36465       7.079559      7.679617       11.59027      13.04968       8.133026      24.71270 11.13168 28.69227 10.64925 -3.979572      15.40522 
1 1 1 7  17 0  o 61.63465 5.533158 38.91526       6.716832      38.91526       6.716832      38.91526       6.716832      61.63465 5.533158 61.63465 5.533158 0.000000       0.000000 
1 1 1 7  17 1  o 448.7105 3.574227 2014.837       32.07161      2020.505       45.51094      2009.169       45.21339      449.3411 5.064187 448.0800 5.045237 1.261047       7.148454 
1 1 1 7  17 2  o 190.0994 2.329525 361.4521       8.855647      361.2396       12.49709      361.7355       12.55377      190.0343 3.288114 190.1645 3.300765 -0.1301727     4.659050 
1 1 1 7  17 3  o 397.6500 3.265242 1582.681       25.97184      1555.052       36.20897      1609.602       37.24331      394.2238 4.592439 401.0761 4.642923 -6.852386      6.530485 
1 1 1 7  17 4  o 265.1506 2.585473 703.4218       13.71563      713.4109       19.58869      693.2909       19.19196      267.0466 3.667655 263.2545 3.645133 3.792023       5.170947 
1 1 1 7  17 5  o 300.4034 3.293923 903.2760       19.80123      936.5732       28.75606      869.9788       27.22580      305.9405 4.699617 294.8662 4.616636 11.07422       6.587847 
1 1 1 7  17 6  o 477.9466 3.803611 2286.174       36.37191      2347.809       52.63797      2225.247       50.20798      484.3486 5.433893 471.5446 5.323779 12.80405       7.607221 
1 1 1 7  17 7  o 220.2296 2.561136 485.2186       11.28564      497.4749       16.25188      473.0333       15.65678      223.0028 3.643874 217.4565 3.599981 5.546310       5.122273 
1 1 1 7  17 8  o 111.6194 3.124790 124.6875       6.977541      124.1916       9.812057      125.1126       9.918325      111.4134 4.403446 111.8254 4.434739 -0.4119492     6.249579 
1 1 1 7  17 9  o 93.95317 3.739589 88.34394       7.029967      87.13957       9.613690      89.54830       10.25838      93.31457 5.151227 94.59177 5.422450 -1.277206      7.479177 
1 1 1 7  17 10 o 89.22920 3.884881 79.91336       6.915907      71.55363       9.613690      88.27309       9.946663      84.54623 5.685464 93.91217 5.295726 -9.365944      7.769763 
1 1 1 7  17 11 o 245.0439 3.076544 600.9088       15.09002      609.9061       22.16037      591.9114       20.47426      246.8731 4.488210 243.2146 4.209092 3.658508       6.153088 
1 1 1 7  17 12 o 224.8504 2.690301 505.8346       12.09327      508.2433       15.98976      503.4967       18.15053      225.3863 3.547189 224.3145 4.045778 1.071808       5.380601 
1 1 1 7  17 13 o 233.1618 3.362704 544.1618       15.66387      539.6986       24.87374      548.6959       19.04318      232.1667 5.356871 234.1569 4.066330 -1.990173      6.725407 
1 1 1 7  17 14 o 237.0912 3.255684 562.6524       15.42300      566.5489       19.82957      558.8268       23.64104      237.9260 4.167171 236.2565 5.003257 1.669495       6.511367 
1 1 1 7  17 15 o 318.4509 3.098624 1015.211       19.77289      1039.299       30.51302      991.1240       25.16421      322.2042 4.735044 314.6977 3.998156 7.506500       6.197249 
1 1 1 7  17 16 o 220.4078 2.975531 486.4938       13.19846      503.4258       21.94784      469.4910       14.66495      224.2120 4.894439 216.6036 3.385204 7.608322       5.951063 
1 1 1 7  17 17 o 215.4617 2.610034 464.8152       11.25730      469.7744       17.33581      459.7852       14.36740      216.5979 4.001842 214.3255 3.351772 2.272476       5.220068 
1 1 1 7  17 18 o 166.3900 2.445818 278.3507       8.076350      314.4109       11.29272      242.2905       11.54776      177.2282 3.185927 155.5518 3.711870 21.67638       4.891636 
1 1 1 7  17 19 o 79.56848 2.924211 63.43477       4.648152      65.14214       6.334976      61.73449       6.802555      80.64429 3.927727 78.49266 4.333242 2.151634       5.848421 
1 1 1 7  17 20 o 186.2937 2.290534 347.4956       8.536844      349.8335       12.00826      345.1577       12.12869      186.9224 3.212098 185.6651 3.266283 1.257294       4.581067 
1 1 1 7  17 21 o 91.07173 2.806225 83.10139       5.109354      80.48012       7.212039      85.79351       7.240376      89.61354 4.023967 92.52992 3.912452 -2.916382      5.612450 
1 1 1 7  17 22 o 56.66959 4.304240 32.83674       4.735292      24.46993       6.806805      41.20356       6.584351      49.28231 6.905931 64.05687 5.139457 -14.77456      8.608479 
1 1 1 7  17 23 o 98.18005 2.878721 97.27043       5.693827      112.4313       8.869816      82.18040       7.148279      105.8478 4.189891 90.51227 3.948790 15.33556       5.757441 
1 1 1 7  17 24 f 79.67781 3.481270 63.88110       5.580475      66.97704       8.919409      60.78516       6.706204      81.55782 5.468150 77.79780 4.310022 3.760017       6.962539 
1 1 1 7  17 25 o 122.1225 2.637095 149.6959       6.432742      152.6005       8.614774      146.7204       9.557014      123.3477 3.492070 120.8973 3.952535 2.450378       5.274191 
1 1 1 7  17 26 o 50.81059 4.347532 26.11353       4.423573      26.66612       6.698411      25.55386       5.780259      51.31604 6.526625 50.30514 5.745197 1.010906       8.695064 
1 1 1 7  17 27 o 37.37899 5.859780 14.97667       4.506462      22.04702       6.798304      7.899237       5.917697      46.58543 7.296598 28.17254 9.171028 18.41289       11.71956 
1 1 1 7  17 28 o 134.0982 2.722136 180.7969       7.304138      182.2138       11.34940      179.3091       9.202788      134.5676 4.216988 133.6288 3.443415 0.9387970      5.444272 
1 1 1 7  17 29 o 33.89304 5.756787 12.27747       3.892942      13.49601       6.155738      11.05185       4.767881      35.52184 8.717928 32.26423 7.520645 3.257610       11.51357 
1 1 1 7  17 30 o 141.2761 2.556710 200.7044       7.183701      194.6117       11.61861      206.7971       8.458915      139.0042 4.179229 143.5480 2.946371 -4.543793      5.113419 
1 1 1 7  17 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 32 o 23.45225 5.987495 4.881233       3.618063      4.796926       5.479167      4.965539       4.726081      23.73302 8.754280 23.17147 8.170860 0.5615501      11.97499 
1 1 1 7  17 33 o 75.72987 2.694999 58.12847       4.101936      65.34759       6.276883      50.91643       5.282216      80.43063 3.902047 71.02911 3.718346 9.401520       5.389997 
1 1 1 7  17 34 o 191.0483 2.322423 368.1115       8.869816      368.3950       14.14070      367.8282       10.71888      190.9021 3.703652 191.1945 2.803134 -0.2924347     4.644846 
1 1 1 7  17 35 o 88.80383 2.302640 79.77167       4.098393      83.38477       6.166365      76.08772       5.401237      90.79614 3.395719 86.81152 3.110898 3.984619       4.605279 
1 1 1 7  17 36 o 71.76176 2.267437 52.13497       3.261003      54.52953       4.903903      49.74749       4.301011      73.37181 3.341817 70.15171 3.065507 3.220100       4.534873 
1 1 1 7  17 37 o 33.07332 7.151074 6.776341       8.728126      -1.384315      16.88949      14.93416       4.411529      28.49261 13.04743 37.65403 5.857978 -9.161415      14.30215 
1 1 1 7  17 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  17 39 o 91.35713 10.41075 103.6465       19.02193      103.6465       19.02193      ?              ?             91.35713 10.41075 ?        ?        ?              ?        
1 1 1 7  17 40 f 34.98823 8.437364 17.13037       8.076350      25.44050       10.26547      8.820225       12.46875      42.02381 11.75683 27.95265 12.10510 14.07117       16.87473 
1 1 1 7  17 41 o 29.66446 8.444604 14.91291       7.934660      5.919114       9.712874      23.91025       12.55377      23.91558 10.51923 35.41334 13.21330 -11.49777      16.88921 
1 1 1 7  17 42 f 23.69162 7.259442 6.948495       6.871274      12.82298       8.969000      1.070471       10.41424      26.86597 10.83168 20.51727 9.668130 6.348700       14.51888 
1 1 1 7  18 0  o 207.4791 3.650993 430.9512       15.13961      430.9512       15.13961      430.9512       15.13961      207.4791 3.650993 207.4791 3.650993 0.000000       0.000000 
1 1 1 7  18 1  o 85.43648 3.604168 73.11222       6.151486      69.11655       8.699788      77.07955       8.699788      83.10638 5.234128 87.76656 4.956209 -4.660179      7.208335 
1 1 1 7  18 2  o 170.7734 2.846639 292.0947       9.776634      312.9231       15.18212      271.3370       12.31998      176.8537 4.292283 164.6930 3.740286 12.16074       5.693279 
1 1 1 7  18 3  o 109.6017 3.359390 120.4368       7.382068      131.2053       11.09435      109.6683       9.748297      114.5101 4.844270 104.6933 4.655647 9.816811       6.718780 
1 1 1 7  18 4  o 387.4714 3.311976 1501.918       25.66721      1479.956       35.96101      1524.588       36.63404      384.5937 4.675195 390.3491 4.692472 -5.755371      6.623952 
1 1 1 7  18 5  o 246.2387 2.763806 606.5764       13.60936      607.5682       19.40449      605.5846       19.09278      246.4393 3.936973 246.0381 3.880045 0.4011993      5.527613 
1 1 1 7  18 6  o 254.9170 2.831294 650.3588       14.44533      675.7213       21.09769      624.9962       19.73747      259.8880 4.058998 249.9461 3.948345 9.941895       5.662587 
1 1 1 7  18 7  f 231.5347 2.791614 536.2980       12.92925      535.2354       18.30639      537.4315       18.25680      231.2974 3.957328 231.7720 3.938526 -0.4745636     5.583228 
1 1 1 7  18 8  o 300.5037 2.898043 903.2760       17.42083      922.4042       24.99418      884.8563       24.27156      303.6250 4.115962 297.3825 4.080866 6.242523       5.796086 
1 1 1 7  18 9  o 165.4191 2.628361 273.8875       8.692703      286.7104       12.39082      261.1353       12.19245      169.2836 3.659781 161.5546 3.773478 7.729050       5.256723 
1 1 1 7  18 10 o 212.6361 2.529041 452.4173       10.75430      456.9514       15.33090      447.8124       15.09002      213.7097 3.586850 211.5625 3.566329 2.147293       5.058082 
1 1 1 7  18 11 o 298.0493 5.842949 891.2324       34.80624      860.7689       49.44993      921.6958       49.00361      292.9348 8.440433 303.1638 8.082036 -10.22897      11.68590 
1 1 1 7  18 12 o 38.19402 6.215457 15.32381       4.697035      11.47692       6.583642      19.16362       6.701245      33.37524 9.440644 43.01278 8.087141 -9.637539      12.43091 
1 1 1 7  18 13 o 45.68227 5.735384 21.33857       5.090934      19.58869       7.481250      23.08136       6.910948      43.38077 8.928564 47.98378 7.201337 -4.603008      11.47077 
1 1 1 7  18 14 o 298.5159 2.960389 891.9408       17.67587      890.5239       23.14512      893.3577       26.72280      298.2982 3.879527 298.7335 4.472682 -0.4352722     5.920779 
1 1 1 7  18 15 o 345.7470 3.597602 1198.700       24.68954      1262.461       30.48468      1134.231       38.85150      355.0899 4.292529 336.4041 5.774527 18.68579       7.195204 
1 1 1 7  18 16 o 208.0202 2.573606 433.2891       10.71888      428.8967       13.87857      437.6107       16.32981      206.9930 3.352425 209.0473 3.905770 -2.054245      5.147212 
1 1 1 7  18 17 o 227.6642 2.846627 519.1535       12.96467      522.4124       18.75980      515.8946       17.89549      228.3712 4.107305 226.9571 3.942483 1.414063       5.693253 
1 1 1 7  18 18 o 178.5858 2.755073 319.5117       9.847479      327.9423       14.26822      311.0811       13.56685      180.9387 3.942832 176.2328 3.849127 4.705856       5.510146 
1 1 1 7  18 19 f 86.64833 3.577484 75.37926       6.162114      72.26208       9.797889      78.42561       7.474166      84.83469 5.774694 88.46197 4.224508 -3.627281      7.154968 
1 1 1 7  18 20 o 87.34423 3.235869 76.79617       5.686742      85.51013       8.756464      68.00429       7.254546      92.33158 4.741858 82.35688 4.404335 9.974701       6.471738 
1 1 1 7  18 21 o 174.9588 2.585927 306.7596       9.039845      303.9966       13.70146      309.5226       11.80281      174.1419 3.933993 175.7758 3.357347 -1.633957      5.171854 
1 1 1 7  18 22 o 17.80064 5.570019 -2.789883      4.112563      0.4201119      5.011588      -6.000587      6.522007      18.67850 7.865626 16.92279 7.888749 1.755713       11.14004 
1 1 1 7  18 23 o 56.09507 4.212444 31.72447       4.727499      31.43401       6.247837      32.01493       7.098687      55.86530 5.591876 56.32484 6.301559 -0.4595413     8.424888 
1 1 1 7  18 24 o 128.3116 2.978430 165.5652       7.566265      177.8922       9.507423      153.2381       11.77447      133.1719 3.569607 123.4514 4.768867 9.720421       5.956860 
1 1 1 7  18 25 o 139.0836 3.151291 194.6117       8.798972      202.3338       13.82898      186.9604       10.88890      141.7514 4.877900 136.4158 3.991070 5.335510       6.302582 
1 1 1 7  18 26 o 171.5980 2.941249 296.3454       9.975000      274.3834       15.81973      318.3074       12.15703      165.0890 4.791272 178.1070 3.412845 -13.01797      5.882499 
1 1 1 7  18 27 o 113.7192 3.606503 130.5677       8.076350      125.0417       14.53743      136.0936       7.035635      110.9700 6.550161 116.4684 3.020404 -5.498405      7.213006 
1 1 1 7  18 28 o 89.01056 3.086639 80.05505       5.499003      89.33577       8.175533      70.77434       7.360813      94.19105 4.339868 83.83006 4.390319 10.36098       6.173277 
1 1 1 7  18 29 o 18.78447 5.663161 -1.166112      3.997085      3.647819       6.170615      -5.980042      5.083141      23.41438 9.131611 14.15456 6.700692 9.259817       11.32632 
1 1 1 7  18 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  18 31 o 153.0754 2.454521 235.9853       7.559181      246.7538       12.12869      225.2168       9.018591      156.4469 3.876298 149.7038 3.012144 6.743042       4.909042 
1 1 1 7  18 32 o 51.91265 3.902591 27.55169       3.988584      24.26447       6.073557      30.84599       5.172406      48.66636 6.239996 55.15894 4.688638 -6.492588      7.805182 
1 1 1 7  18 33 o 96.33985 3.203628 0.000000       0.000000      ?              ?             93.51564       6.172740      ?        ?        96.33985 3.203628 ?              ?        
1 1 1 7  18 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  18 35 o 41.18809 3.957961 17.61920       3.244001      20.24047       4.696327      15.00501       4.475998      44.33327 5.296617 38.04291 5.882829 6.290359       7.915922 
1 1 1 7  18 36 o 27.45576 4.278194 7.807138       2.844434      15.85515       4.002044      -0.2410153     4.043134      39.14437 5.111903 15.76716 6.861505 23.37722       8.556389 
1 1 1 7  18 37 o 76.26820 5.488979 63.13014       7.509589      51.85867       14.12653      74.38744       5.089518      66.83132 10.56879 85.70507 2.969205 -18.87375      10.97796 
1 1 1 7  18 38 o 25.30077 9.270336 0.000000       0.000000      ?              ?             8.883986       6.135192      ?        ?        25.30077 9.270336 ?              ?        
1 1 1 7  18 39 o 112.7541 3.522168 135.1726       7.764632      129.7884       13.66603      140.4860       7.382068      108.4812 6.298806 117.0271 3.154000 -8.545914      7.044336 
1 1 1 7  18 40 o 43.04095 6.321069 23.54185       5.457912      24.63995       10.03876      22.45084       4.288259      40.28974 11.74307 45.79217 4.682306 -5.502426      12.64214 
1 1 1 7  18 41 o 36.68897 7.986767 22.57127       6.720373      30.44926       10.23004      14.68620       8.713958      43.55671 11.55197 29.82123 11.03203 13.73548       15.97353 
1 1 1 7  19 0  f 156.1717 4.442236 244.5576       13.85023      244.5576       13.85023      244.5576       13.85023      156.1717 4.442236 156.1717 4.442236 0.000000       0.000000 
1 1 1 7  19 1  o 110.4218 3.764527 122.1371       8.310139      127.9464       11.80281      116.2569       11.69654      113.0679 5.219343 107.7757 5.426334 5.292252       7.529053 
1 1 1 7  19 2  o 147.2191 3.158431 216.9279       9.301972      224.2959       13.42516      209.5600       12.87965      149.7197 4.483433 144.7186 4.449895 5.001038       6.316862 
1 1 1 7  19 3  o 439.0551 3.658398 1929.823       32.13537      1895.109       44.70331      1963.828       46.16272      435.1481 5.136562 442.9621 5.210685 -7.813995      7.316796 
1 1 1 7  19 4  o 330.9482 3.087135 1095.975       20.43883      1087.474       28.67813      1104.476       29.11737      329.6654 4.349581 332.2310 4.382096 -2.565613      6.174271 
1 1 1 7  19 5  o 300.2771 2.930351 901.8591       17.59794      896.9000       24.71788      907.5267       25.05794      299.3936 4.127992 301.1606 4.160229 -1.767029      5.860701 
1 1 1 7  19 6  o 108.0764 3.217988 116.8945       6.955580      116.6112       9.769550      117.1779       9.904156      107.9458 4.525209 108.2069 4.576489 -0.2610779     6.435975 
1 1 1 7  19 7  o 372.3413 3.221915 1387.857       23.99526      1391.399       33.99152      1383.606       33.87108      372.8640 4.558166 371.8186 4.554786 1.045441       6.443830 
1 1 1 7  19 8  o 242.2491 2.905969 587.4482       14.11944      608.5601       21.65737      566.3363       18.11511      246.5914 4.391347 237.9067 3.807189 8.684753       5.811937 
1 1 1 7  19 9  o 269.6411 2.697508 727.5800       14.55160      716.2448       20.26880      738.9152       20.87807      267.5418 3.787970 271.7404 3.841547 -4.198639      5.395016 
1 1 1 7  19 10 o 264.3728 3.248471 699.8795       17.28622      674.9420       19.24864      724.7462       28.71355      259.7132 3.705748 269.0323 5.336450 -9.319092      6.496942 
1 1 1 7  19 11 o 231.0673 2.708419 534.3852       12.49709      545.3661       16.57777      523.3334       18.71021      233.4608 3.550441 228.6738 4.091026 4.786957       5.416837 
1 1 1 7  19 12 o 277.4608 2.693321 770.7955       14.94833      761.5857       20.78598      779.2970       21.48734      275.8684 3.767372 279.0533 3.850043 -3.184845      5.386643 
1 1 1 7  19 13 o 311.1306 3.083244 969.1620       19.19904      962.7860       24.88791      975.5381       29.23072      310.1349 4.012434 312.1263 4.682514 -1.991455      6.166487 
1 1 1 7  19 14 o 309.3944 2.828573 958.5353       17.49876      946.4916       24.46993      970.5789       25.03669      307.4527 3.979462 311.3362 4.020844 -3.883453      5.657146 
1 1 1 7  19 15 o 23.61839 6.381781 3.053427       4.417905      6.400154       5.970831      -0.2930157     6.513506      26.56761 9.201754 20.66917 8.845125 5.898445       12.76356 
1 1 1 7  19 16 f 234.8550 2.508747 552.3799       11.78155      567.0448       16.76197      537.7149       16.56360      237.9753 3.521788 231.7347 3.573829 6.240616       5.017494 
1 1 1 7  19 17 o 182.5192 2.542208 333.7516       9.266549      320.3619       13.41808      347.1414       12.78047      178.8447 3.751321 186.1937 3.432037 -7.348984      5.084416 
1 1 1 7  19 18 o 239.9234 3.185066 577.3882       15.35923      553.2300       18.60394      601.4756       24.44159      234.9781 3.958655 244.8686 4.990755 -9.890533      6.370132 
1 1 1 7  19 19 o 183.6835 2.975862 338.6400       11.02351      314.0567       13.19846      363.2941       17.66170      177.0468 3.727392 190.3202 4.639996 -13.27344      5.951724 
1 1 1 7  19 20 o 49.44644 5.417809 24.74622       5.411155      22.23122       6.525549      27.26831       8.636027      46.96562 6.947155 51.92726 8.315505 -4.961636      10.83562 
1 1 1 7  19 21 o 43.29740 6.860567 19.85082       5.805054      17.85299       8.366816      21.84157       8.048012      41.02187 10.22299 45.57294 9.152049 -4.551075      13.72113 
1 1 1 7  19 22 o 37.47395 7.267582 14.59411       5.904237      20.70096       8.239295      8.487252       8.458915      44.19802 9.590175 30.74988 10.92243 13.44814       14.53516 
1 1 1 7  19 23 o 107.1914 2.917945 115.4068       6.255630      114.8400       9.415324      115.9027       8.232210      106.9142 4.403214 107.4685 3.830055 -0.5542984     5.835890 
1 1 1 7  19 24 o 102.2686 3.239133 105.3468       6.611272      112.5022       9.330310      98.19141       9.372816      105.7683 4.410731 98.76883 4.744825 6.999466       6.478265 
1 1 1 7  19 25 o 66.89262 3.577020 45.10004       4.772131      46.74364       6.315140      43.44935       7.155363      68.15486 4.632934 65.63037 5.451259 2.524490       7.154040 
1 1 1 7  19 26 o 96.35941 2.858793 93.37395       5.502545      95.78268       7.410406      91.03606       8.133026      97.61700 3.795653 95.10181 4.275958 2.515190       5.717587 
1 1 1 7  19 27 o 164.7873 2.771764 273.0373       9.146112      276.7213       14.09111      269.3534       11.66112      165.8212 4.248886 163.7534 3.560572 2.067810       5.543528 
1 1 1 7  19 28 o 51.05955 4.804862 26.60945       4.971914      29.18113       8.175533      24.03777       5.661238      53.41133 7.653369 48.70776 5.811434 4.703579       9.609725 
1 1 1 7  19 29 o 110.1165 6.603129 128.9382       15.81264      160.6060       30.49177      97.34127       8.402238      122.0231 12.49426 98.21004 4.277688 23.81301       13.20626 
1 1 1 7  19 30 o 157.9011 2.789940 251.7838       8.919409      269.2825       14.90582      234.2850       9.783719      163.1676 4.567641 152.6345 3.204951 10.53314       5.579880 
1 1 1 7  19 31 o 29.51345 6.351190 8.458915       4.493710      3.358061       6.748003      13.55268       5.936118      23.64576 9.452395 35.38114 8.485440 -11.73539      12.70238 
1 1 1 7  19 32 o 38.34780 5.803832 16.17395       4.498669      22.98217       6.787676      9.372816       5.907071      47.08369 7.208097 29.61190 9.098417 17.47179       11.60766 
1 1 1 7  19 33 o 105.9239 6.130061 120.2951       13.09219      105.7719       16.25897      134.7475       20.53093      99.91799 8.136156 111.9298 9.171345 -12.01179      12.26012 
1 1 1 7  19 34 o 14.35509 4.743710 -4.680741      3.430324      -6.901029      4.952786      -2.461161      4.748044      13.25687 6.376501 15.45331 7.025054 -2.196442      9.487420 
1 1 1 7  19 35 o 20.09014 5.536171 2.931573       3.242584      4.442701       4.804720      1.421154       4.356270      22.13206 8.190981 18.04822 7.450140 4.083843       11.07234 
1 1 1 7  19 36 o 20.49311 5.433669 3.770380       3.016588      3.572722       4.381066      3.968747       4.147985      20.35424 7.752475 20.63197 7.615652 -0.2777290     10.86734 
1 1 1 7  19 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  19 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  19 39 o 38.17355 6.446135 19.01485       5.384233      23.96692       10.08127      14.06277       3.783841      40.27773 11.77702 36.06938 5.245226 4.208355       12.89227 
1 1 1 7  19 40 o 33.53436 6.456463 15.14670       5.240418      14.11944       9.379901      16.18104       4.675073      29.51425 11.31374 37.55446 6.224392 -8.040207      12.91293 
1 1 1 7  19 41 o 22.90339 7.009787 7.452912       5.952412      7.105771       8.961915      7.807138       7.842561      22.72528 10.03968 23.08151 9.785359 -0.3562279     14.01957 
1 1 1 7  20 0  o 15.12646 10.08659 -1.880940      7.948828      -1.880940      7.948828      -1.880940      7.948828      15.12646 10.08659 15.12646 10.08659 0.000000       0.000000 
1 1 1 7  20 1  f 529.4679 4.184511 2807.594       44.31366      2784.924       62.20206      2829.556       63.13014      527.3658 5.897431 531.5699 5.938084 -4.204102      8.369021 
1 1 1 7  20 2  o 39.33583 7.217783 16.11019       5.751212      14.36032       8.196787      17.86007       8.069265      37.31832 10.52684 41.35334 9.877816 -4.035015      14.43557 
1 1 1 7  20 3  o 453.6317 3.708772 2060.178       33.65146      2035.382       47.09787      2084.974       48.07554      450.9038 5.222608 456.3595 5.267288 -5.455719      7.417544 
1 1 1 7  20 4  o 410.5901 10.23190 0.000000       0.000000      ?              ?             1693.200       84.02238      ?        ?        410.5901 10.23190 ?              ?        
1 1 1 7  20 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  20 6  o 115.9496 2.930987 134.6058       6.800429      129.0091       9.330310      140.2026       9.897071      113.5388 4.108865 118.3604 4.180906 -4.821587      5.861974 
1 1 1 7  20 7  o 207.7815 2.518178 432.0139       10.46383      425.1419       14.62245      438.8859       14.97667      206.1293 3.546910 209.4337 3.575516 -3.304367      5.036356 
1 1 1 7  20 8  f 99.14642 3.113495 98.61649       6.156446      107.2596       8.721042      89.90253       8.692703      103.5229 4.212132 94.76994 4.586213 8.752953       6.226990 
1 1 1 7  20 9  o 95.18976 3.112550 90.96520       5.909905      80.48012       8.182618      101.5211       8.529759      89.66553 4.562856 100.7140 4.234645 -11.04845      6.225100 
1 1 1 7  20 10 o 133.5645 2.971955 178.5298       7.927575      176.6170       12.19245      180.5135       10.14503      132.8239 4.589705 134.3051 3.776860 -1.481125      5.943911 
1 1 1 7  20 11 o 299.3932 2.814787 896.9000       16.85407      903.9844       23.90316      890.5239       23.76856      300.5164 3.977015 298.2701 3.984402 2.246338       5.629575 
1 1 1 7  20 12 o 95.30200 3.347888 91.24860       6.327891      80.83435       9.216957      101.7337       8.671450      89.81456 5.131104 100.7895 4.301764 -10.97489      6.695776 
1 1 1 7  20 13 o 111.8787 2.841809 126.4586       6.303804      149.5542       9.110690      103.2923       8.713958      122.2125 3.727396 101.5449 4.290690 20.66759       5.683617 
1 1 1 7  20 14 f 46.80214 5.576371 24.38491       4.777799      38.92942       6.774924      9.840395       6.738085      62.30113 5.437241 31.30314 9.737559 30.99800       11.15274 
1 1 1 7  20 15 o 162.6147 2.765091 264.8901       8.990252      272.5414       12.68837      257.3097       12.73796      164.9569 3.845966 160.2725 3.973846 4.684418       5.530181 
1 1 1 7  20 16 o 134.2853 2.868858 181.0094       7.686701      196.5245       10.93141      165.4943       10.81097      140.0608 3.902381 128.5098 4.206283 11.55092       5.737717 
1 1 1 7  20 17 o 122.0100 2.914918 149.3416       7.127024      139.9192       9.549930      158.7640       10.57718      118.1624 4.041018 125.8576 4.202044 -7.695190      5.829836 
1 1 1 7  20 18 o 109.9545 3.010920 121.2869       6.607729      127.2379       9.160281      115.3360       9.528677      112.6662 4.065229 107.2428 4.442574 5.423477       6.021840 
1 1 1 7  20 19 o 183.6329 2.764779 338.0732       10.15211      341.6863       13.86440      334.5309       14.82790      184.6233 3.754781 182.6426 4.059266 1.980743       5.529559 
1 1 1 7  20 20 f 79.21952 3.453153 63.09472       5.449411      65.48220       6.955580      60.70015       8.388069      80.76485 4.306068 77.67419 5.399521 3.090652       6.906305 
1 1 1 7  20 21 o 71.12749 3.697092 50.99436       5.204287      55.24507       6.633234      46.75073       8.019674      74.15463 4.472569 68.10034 5.888131 6.054291       7.394184 
1 1 1 7  20 22 o 68.92950 3.896288 48.05429       5.407613      42.09620       6.830184      54.00528       8.388069      64.66252 5.281409 73.19649 5.729831 -8.533966      7.792576 
1 1 1 7  20 23 o 128.7404 2.718676 166.6279       6.954871      176.2628       8.933578      156.9221       10.66220      132.5443 3.370036 124.9366 4.267044 7.607628       5.437352 
1 1 1 7  20 24 f 72.98977 4.167777 54.27449       6.084183      44.34200       7.991336      64.20699       9.174451      66.23681 6.032399 79.74273 5.752532 -13.50592      8.335553 
1 1 1 7  20 25 o 154.0279 2.939599 239.1733       8.961915      218.4865       13.72979      259.7893       11.51943      147.2434 4.662280 160.8124 3.581634 -13.56903      5.879197 
1 1 1 7  20 26 o 92.18512 3.614327 85.79351       6.672198      87.06872       10.44966      84.44745       8.303054      92.80121 5.630133 91.56904 4.533768 1.232170       7.228655 
1 1 1 7  20 27 o 61.13966 5.227160 38.48310       6.354104      31.60404       8.657280      45.36217       9.301972      55.56036 7.790880 66.71896 6.971011 -11.15860      10.45432 
1 1 1 7  20 28 o 30.44282 7.849524 6.796178       6.777050      11.33523       7.622942      2.257128       11.20771      32.88329 10.38213 28.00235 11.77589 4.880941       15.69905 
1 1 1 7  20 29 o 47.80591 6.235336 24.78873       6.025383      32.28415       10.01042      17.29331       6.709747      55.57253 9.006630 40.03929 8.625444 15.53324       12.47067 
1 1 1 7  20 30 o 33.13079 8.021599 10.56302       7.084518      10.32214       12.82298      10.79680       6.038135      34.57674 13.23579 31.68483 9.066319 2.891912       16.04320 
1 1 1 7  20 31 o 90.86391 4.728175 85.29759       8.260548      74.38744       14.09111      96.27859       8.607689      84.25462 8.362217 97.47321 4.415413 -13.21859      9.456349 
1 1 1 7  20 32 o 62.70060 3.668387 40.31799       4.634692      44.97252       7.204955      35.66346       5.827016      66.26602 5.436387 59.13519 4.926860 7.130836       7.336774 
1 1 1 7  20 33 o 81.67574 3.231949 68.33018       5.297094      76.86702       8.012589      59.82875       6.928658      86.76910 4.617191 76.58238 4.523664 10.18671       6.463899 
1 1 1 7  20 34 f 77.66220 2.954291 61.53612       4.591476      62.53504       6.745169      60.53720       6.230125      78.24313 4.310391 77.08127 4.041271 1.161858       5.908582 
1 1 1 7  20 35 o 20.18102 5.640816 2.943617       3.411904      4.581558       5.049136      1.305677       4.589351      22.26221 8.365191 18.09984 7.569596 4.162365       11.28163 
1 1 1 7  20 36 o 30.68232 5.792186 11.28564       3.747001      15.14670       5.528049      7.424574       5.059054      36.00426 7.892645 25.36038 8.479613 10.64388       11.58437 
1 1 1 7  20 37 o 22.55710 5.132242 4.410821       3.268796      11.29981       4.943576      -2.478873      4.277632      30.99808 7.939074 14.11611 6.506206 16.88197       10.26448 
1 1 1 7  20 38 o 37.76739 3.691422 15.30256       2.757294      13.36848       4.009837      17.24372       3.784549      35.12781 5.707497 40.40696 4.683042 -5.279156      7.382845 
1 1 1 7  20 39 o 34.80831 6.340953 16.42191       5.122815      21.12603       9.762465      11.71779       3.119313      36.61431 11.76846 33.00231 4.725901 3.611996       12.68191 
1 1 1 7  20 40 o 27.72663 6.708202 13.61644       5.044885      23.81107       9.472000      3.416155       3.469997      37.53086 11.51919 17.92241 6.878100 19.60844       13.41640 
1 1 1 7  21 0  o 173.5206 3.653640 301.5879       12.66712      301.5879       12.66712      301.5879       12.66712      173.5206 3.653640 173.5206 3.653640 0.000000       0.000000 
1 1 1 7  21 1  o 124.8660 2.822351 156.0719       7.047678      154.2299       9.889987      157.8430       10.04585      124.1433 3.983294 125.5887 3.999504 -1.445343      5.644702 
1 1 1 7  21 2  o 288.8996 2.799524 835.2646       16.17395      843.7661       23.01760      826.7632       22.73422      290.3696 3.963500 287.4296 3.954746 2.940033       5.599049 
1 1 1 7  21 3  o 384.0879 3.275616 1476.414       25.16421      1460.828       35.29507      1492.708       35.87600      382.0160 4.619580 386.1598 4.645227 -4.143768      6.551232 
1 1 1 7  21 4  o 290.9702 2.801507 847.3083       16.30148      835.2646       22.79089      859.3521       23.32223      288.9031 3.944383 293.0373 3.979397 -4.134155      5.603013 
1 1 1 7  21 5  o 170.8228 2.535939 291.9530       8.664365      294.2200       12.38374      289.7568       12.12161      171.4749 3.610948 170.1707 3.561602 1.304138       5.071878 
1 1 1 7  21 6  o 136.7004 2.647838 187.1021       7.240376      197.3038       10.38590      176.9713       10.08127      140.4174 3.698225 132.9833 3.790426 7.434082       5.295677 
1 1 1 7  21 7  o 97.70432 3.121692 95.64099       6.094102      99.82085       8.572267      91.39028       8.664365      99.86201 4.292056 95.54662 4.534104 4.315399       6.243384 
1 1 1 7  21 8  o 64.45358 4.078208 41.65696       5.253878      39.18447       7.367898      44.13654       7.488335      62.53381 5.891132 66.37336 5.641070 -3.839546      8.156416 
1 1 1 7  21 9  o 286.4919 2.978074 821.8041       17.07369      815.4280       22.31623      828.1802       25.84432      285.4049 3.909573 287.5788 4.493433 -2.173889      5.956148 
1 1 1 7  21 10 o 95.30424 3.527684 91.03606       6.740210      93.37395       10.48509      88.69817       8.473083      96.50959 5.432148 94.09891 4.502222 2.410683       7.055369 
1 1 1 7  21 11 o 260.2375 2.876594 678.2717       14.97667      674.8003       19.60286      681.8140       22.64920      259.5932 3.775688 260.8819 4.340892 -1.288727      5.753188 
1 1 1 7  21 12 o 198.1648 2.937505 393.4033       11.64695      386.3896       16.01101      400.4170       16.91783      196.4046 4.076028 199.9250 4.231044 -3.520432      5.875010 
1 1 1 7  21 13 o 121.3136 3.066120 147.4997       7.438744      147.6413       10.25130      147.2871       10.78264      121.3927 4.222370 121.2345 4.447018 0.1582413      6.132240 
1 1 1 7  21 14 o 173.1626 2.857495 301.0920       9.889987      329.5717       14.33906      272.6122       13.61644      181.3776 3.952821 164.9476 4.127506 16.42999       5.714990 
1 1 1 7  21 15 o 208.1830 2.685083 434.2101       11.19354      444.2701       16.88241      424.2209       14.70746      210.5648 4.008839 205.8013 3.573218 4.763458       5.370166 
1 1 1 7  21 16 o 156.0764 2.489054 243.9908       7.771716      239.9526       10.73304      248.0998       11.24313      154.7775 3.467251 157.3752 3.572077 -2.597794      4.978108 
1 1 1 7  21 17 o 22.29131 6.052489 1.194450       4.337850      -5.624399      5.738459      8.012589       6.507129      15.70761 7.351549 28.87502 9.616922 -13.16742      12.10498 
1 1 1 7  21 18 o 187.3615 2.464189 351.8880       9.231127      356.1387       12.97884      347.5664       13.13470      188.5079 3.442519 186.2152 3.526752 2.292694       4.928379 
1 1 1 7  21 19 o 179.1214 2.465875 321.7079       8.834394      325.6044       12.36248      317.8115       12.61753      180.2139 3.429947 178.0289 3.543673 2.185028       4.931750 
1 1 1 7  21 20 o 225.4776 2.541294 509.9436       11.45567      512.0689       16.07477      507.8182       16.33690      225.9544 3.557082 225.0008 3.630409 0.9536591      5.082589 
1 1 1 7  21 21 o 105.7785 2.795387 112.7855       5.937534      97.97889       7.700871      127.6630       9.039845      98.79612 3.897355 112.7609 4.008413 -13.96478      5.590774 
1 1 1 7  21 22 o 17.50360 5.647171 -6.962664      4.723248      0.3362312      6.791219      -14.26113      6.565931      21.41738 9.094145 13.58982 6.697662 7.827555       11.29434 
1 1 1 7  21 23 o 156.1243 2.863334 244.9826       8.961915      237.4730       11.66112      252.4922       13.60227      153.7770 3.791567 158.4716 4.291707 -4.694595      5.726668 
1 1 1 7  21 24 o 32.27591 7.504394 9.953747       5.913447      11.58319       6.459663      8.317224       9.904156      33.05675 9.351581 31.49508 11.73932 1.561668       15.00879 
1 1 1 7  21 25 o 221.7698 3.293976 495.7037       14.67204      480.1178       17.17287      511.2188       23.79690      218.5298 3.929182 225.0097 5.287971 -6.479874      6.587952 
1 1 1 7  21 26 o 80.45037 4.333870 65.78683       7.078850      60.74265       7.311223      70.83101       12.12161      77.60040 4.710814 83.30034 7.275846 -5.699936      8.667740 
1 1 1 7  21 27 o 204.8387 3.065483 423.3000       12.53960      411.4688       18.45517      435.1311       16.98159      201.8773 4.570887 207.8000 4.086041 -5.922699      6.130965 
1 1 1 7  21 28 o 189.9437 3.061057 364.6401       11.61861      358.2641       17.17287      371.0162       15.64970      188.1721 4.563077 191.7153 4.081495 -3.543213      6.122114 
1 1 1 7  21 29 o 69.24854 4.297862 48.98236       5.957372      51.42651       8.735210      46.53820       8.104689      70.95934 6.155082 67.53773 6.000120 3.421608       8.595724 
1 1 1 7  21 30 o 83.35403 3.667665 70.78851       6.107563      66.55904       8.558097      75.02505       8.721042      80.82899 5.293952 85.87907 5.077513 -5.050079      7.335330 
1 1 1 7  21 31 o 104.0060 4.142732 111.0852       8.373900      103.0089       14.94833      119.2324       7.537927      99.32630 7.524861 108.6857 3.467764 -9.359413      8.285464 
1 1 1 7  21 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  21 33 o 30.63422 6.416474 10.40716       4.280466      9.585353       6.650945      11.22188       5.389901      29.57632 9.722624 31.69212 8.375868 -2.115799      12.83295 
1 1 1 7  21 34 o 36.35578 5.799704 15.12545       4.165697      19.21321       6.218790      11.04476       5.542927      41.59179 7.764544 31.11977 8.617314 10.47202       11.59941 
1 1 1 7  21 35 o 51.83225 4.081229 28.19638       4.225206      29.99585       6.002712      26.39691       5.947453      53.55651 5.604092 50.10800 5.934634 3.448505       8.162458 
1 1 1 7  21 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  21 37 o 14.70761 4.735396 -2.733207      3.208578      1.329764       4.753712      -6.796178      4.310929      17.77074 7.578990 11.64448 5.679333 6.126259       9.470793 
1 1 1 7  21 38 o 19.69797 5.177866 4.006295       2.798384      5.994210       4.187658      2.017670       3.712996      22.51502 7.714842 16.88091 6.908142 5.634115       10.35573 
1 1 1 7  21 39 o 53.63191 2.928363 30.76097       3.110103      33.26889       4.087767      28.25306       4.687826      56.21497 3.635834 51.04885 4.591509 5.166119       5.856727 
1 1 1 7  22 0  o 221.9382 3.681173 493.1533       16.32981      493.1533       16.32981      493.1533       16.32981      221.9382 3.681173 221.9382 3.681173 0.000000       0.000000 
1 1 1 7  22 1  o 154.4534 2.633657 238.7483       8.140111      241.6529       11.55485      235.8436       11.45567      155.3932 3.717939 153.5136 3.731157 1.879593       5.267314 
1 1 1 7  22 2  o 190.7152 2.556438 364.0733       9.748297      375.1960       13.99901      352.9507       13.58102      193.6291 3.614902 187.8012 3.615796 5.827881       5.112876 
1 1 1 7  22 3  o 181.9099 2.547996 331.2012       9.273635      328.9342       13.07094      333.3974       13.14886      181.2969 3.604842 182.5229 3.601978 -1.225937      5.095992 
1 1 1 7  22 4  o 95.11040 3.183924 90.54014       6.056554      91.39028       8.607689      89.76084       8.522675      95.53811 4.504846 94.68270 4.500650 0.8554077      6.367848 
1 1 1 7  22 5  o 179.1525 2.555035 321.2121       9.153197      318.5908       12.86548      323.9041       13.02843      178.4121 3.605553 179.8930 3.621161 -1.480896      5.110071 
1 1 1 7  22 6  o 208.0273 2.539962 433.2183       10.57010      433.7850       14.91291      432.5807       14.97667      208.1725 3.581864 207.8821 3.602203 0.2903442      5.079923 
1 1 1 7  22 7  o 112.1220 3.121654 125.9627       6.988169      121.6412       10.28672      130.2843       9.457831      110.1870 4.667848 114.0571 4.146094 -3.870163      6.243309 
1 1 1 7  22 8  o 144.9858 2.942985 210.5519       8.529759      210.1268       11.97992      210.9769       12.15703      144.8409 4.135543 145.1307 4.188306 -0.2897186     5.885969 
1 1 1 7  22 9  o 21.15676 6.659464 -3.070430      5.705162      -4.847227      7.282885      -1.293633      8.784801      18.93070 8.631091 23.38281 10.14387 -4.452112      13.31893 
1 1 1 7  22 10 o 167.5049 2.932467 281.1845       9.819141      292.3781       14.00609      269.9910       13.77230      170.8437 4.099095 164.1662 4.194623 6.677551       5.864933 
1 1 1 7  22 11 o 147.7726 2.983181 218.8407       8.820225      214.8734       12.34123      222.7372       12.59627      146.4451 4.213604 149.1000 4.224101 -2.654968      5.966363 
1 1 1 7  22 12 o 144.8851 2.849679 210.6227       8.310139      194.5409       10.37173      226.7046       12.98592      139.3659 3.721045 150.4044 4.317002 -11.03853      5.699358 
1 1 1 7  22 13 o 268.1716 2.725049 720.4955       14.61536      722.6208       20.58052      718.3701       20.75764      268.5699 3.831501 267.7732 3.875974 0.7967834      5.450099 
1 1 1 7  22 14 o 45.48369 5.616206 21.26064       4.963413      23.38599       6.867732      19.13528       7.169532      48.19559 7.124855 42.77179 8.683520 5.423805       11.23241 
1 1 1 7  22 15 o 157.9239 2.530177 249.8709       7.991336      248.6666       11.03768      251.0753       11.56193      157.5495 3.502924 158.2983 3.651944 -0.7488403     5.060354 
1 1 1 7  22 16 o 278.2001 2.751508 776.4632       15.30964      796.2998       21.89824      755.9181       21.40233      281.8206 3.885139 274.5796 3.897291 7.241028       5.503016 
1 1 1 7  22 17 o 244.1122 2.621887 597.6500       12.80881      581.8514       17.64045      613.5193       18.56852      240.8866 3.661568 247.3378 3.753677 -6.451187      5.243774 
1 1 1 7  22 18 f 118.2845 2.743961 140.4151       6.485876      143.9574       8.976085      136.8729       9.365732      119.7904 3.746578 116.7785 4.010042 3.011955       5.487922 
1 1 1 7  22 19 o 97.38510 3.476615 95.49931       6.725333      102.3713       8.827310      88.62732       10.14503      100.9512 4.372066 93.81898 5.406704 7.132240       6.953231 
1 1 1 7  22 20 o 81.36069 3.695706 66.70074       5.999878      69.05988       8.033843      64.33451       8.912323      82.84315 4.848828 79.87822 5.578694 2.964928       7.391411 
1 1 1 7  22 21 o 86.78347 3.595726 76.08772       6.176991      83.24309       8.069265      68.87569       9.351563      90.97045 4.435102 82.59649 5.660993 8.373962       7.191452 
1 1 1 7  22 22 o 55.41037 4.965793 31.15062       5.498294      31.17896       6.521298      31.12937       8.855647      55.55349 5.869387 55.26726 8.011659 0.2862320      9.931585 
1 1 1 7  22 23 o 158.9410 2.777690 254.4050       8.898154      234.0725       10.83223      274.8085       14.12653      152.6497 3.548068 165.2323 4.274748 -12.58264      5.555381 
1 1 1 7  22 24 o 80.49126 3.538141 65.48928       5.717206      59.91377       7.417490      71.05771       8.706873      77.08743 4.811090 83.89510 5.189143 -6.807671      7.076283 
1 1 1 7  22 25 o 77.98987 3.953720 62.04621       6.153612      51.00853       8.203872      73.11222       9.174451      70.95737 5.780845 85.02237 5.395316 -14.06499      7.907440 
1 1 1 7  22 26 o 185.1892 2.835016 345.5119       10.51342      338.4274       14.04860      352.6673       15.63553      183.3407 3.831283 187.0378 4.179778 -3.697144      5.670033 
1 1 1 7  22 27 o 67.09917 5.323969 46.54528       7.204955      43.13763       8.565183      49.95294       11.58319      64.88154 6.600631 69.31680 8.355252 -4.435265      10.64794 
1 1 1 7  22 28 o 37.55368 7.237505 15.71346       5.715081      11.03768       6.704079      20.38924       9.259464      32.14256 9.656417 42.96481 10.78330 -10.82225      14.47501 
1 1 1 7  22 29 o 63.79173 4.604710 41.87658       5.795844      45.02919       7.036344      38.72398       9.209873      66.49142 5.291166 61.09203 7.537704 5.399384       9.209420 
1 1 1 7  22 30 o 31.81882 7.222937 10.64095       5.379274      14.46659       7.651280      6.820265       7.559181      36.06731 10.16941 27.57034 10.25994 8.496977       14.44587 
1 1 1 7  22 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  22 32 o 93.91673 3.377554 90.68183       6.314431      78.77983       8.806056      102.6547       9.046929      87.59177 5.026760 100.2417 4.512558 -12.64992      6.755109 
1 1 1 7  22 33 o 58.56831 5.854732 38.80899       7.481250      52.68756       13.79356      24.93042       5.788759      68.28628 10.09980 48.85035 5.924993 19.43593       11.70946 
1 1 1 7  22 34 o 31.43600 7.782366 11.04476       6.779883      11.85948       12.39791      10.23004       5.490501      32.95002 12.92456 29.92199 8.672754 3.028023       15.56473 
1 1 1 7  22 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  22 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  22 37 o 19.37639 5.501049 2.797676       3.389233      0.4733166      4.976165      5.121398       4.603519      17.16735 7.540310 21.58543 8.011859 -4.418089      11.00210 
1 1 1 7  22 38 o 26.92666 5.194471 9.252379       3.076098      13.68020       4.683574      4.830933       3.988584      33.41272 7.213740 20.44059 7.476100 12.97213       10.38894 
1 1 1 7  22 39 o 14.47401 4.538837 0.2826723      2.625522      -0.6989586E-01 3.923406      0.6352687      3.490542      14.46893 6.499098 14.47910 6.337656 -0.1016712E-01 9.077674 
1 1 1 7  23 0  f 99.91910 4.479115 100.5293       8.912323      100.5293       8.912323      100.5293       8.912323      99.91910 4.479115 99.91910 4.479115 0.000000       0.000000 
1 1 1 7  23 1  o 113.1253 2.965222 128.2298       6.707621      125.3960       9.479085      130.9927       9.493254      111.8885 4.235950 114.3620 4.150529 -2.473434      5.930444 
1 1 1 7  23 2  o 200.2973 2.594857 401.6922       10.39299      400.6295       14.73580      402.7549       14.66495      200.0314 3.683371 200.5632 3.655943 -0.5317383     5.189715 
1 1 1 7  23 3  o 159.2278 2.832187 254.0508       9.039845      263.8275       13.71563      244.2033       11.78155      162.2906 4.225638 156.1650 3.772150 6.125641       5.664374 
1 1 1 7  23 4  o 130.6740 3.139859 171.0911       8.203872      173.5707       11.63278      168.6115       11.57610      131.6222 4.419003 129.7259 4.461755 1.896317       6.279717 
1 1 1 7  23 5  o 44.41374 6.696413 20.66554       5.770339      19.86499       8.019674      21.46609       8.295970      43.53584 9.474465 45.29165 9.465848 -1.755814      13.39283 
1 1 1 7  23 6  o 126.0116 3.171563 159.4016       7.991336      145.0201       10.93141      173.8541       11.66112      120.2993 4.543422 131.7238 4.426350 -11.42454      6.343127 
1 1 1 7  23 7  o 103.2302 3.477018 106.9054       7.169532      113.7774       10.10252      100.1042       10.16628      106.5423 4.741086 99.91803 5.087311 6.624260       6.954037 
1 1 1 7  23 8  o 159.0388 2.611148 253.4132       8.303054      261.9146       11.80281      244.8410       11.68237      161.7215 3.649114 156.3562 3.735820 5.365372       5.222297 
1 1 1 7  23 9  o 101.4615 3.430822 103.2214       6.966206      103.9299       10.64803      102.5130       8.983169      101.7877 5.230508 101.1353 4.441164 0.6524429      6.861644 
1 1 1 7  23 10 o 18.28264 5.904574 -4.538342      4.816764      -5.734918      6.444077      -3.341767      7.162447      16.97469 7.885258 19.59059 8.790830 -2.615896      11.80915 
1 1 1 7  23 11 o 184.6960 2.760218 341.7571       10.19462      339.7026       15.23880      343.8825       13.53851      184.1091 4.138524 185.2829 3.653470 -1.173828      5.520437 
1 1 1 7  23 12 o 20.02699 6.113821 -2.194783      4.728208      -7.148279      6.472415      2.759420       6.895361      16.27808 7.656313 23.77591 9.533942 -7.497829      12.22764 
1 1 1 7  23 13 o 79.22667 3.538660 63.02387       5.613772      60.60097       7.615856      65.44677       8.246379      77.70921 4.900228 80.74414 5.106488 -3.034935      7.077320 
1 1 1 7  23 14 o 183.8591 2.537028 338.8525       9.330310      346.0787       13.20554      331.5555       13.17720      185.8334 3.553059 181.8847 3.622405 3.948700       5.074056 
1 1 1 7  23 15 o 50.02312 5.238438 25.87266       5.050553      20.92058       7.061847      30.82474       7.219123      44.75841 8.193981 55.28783 6.528674 -10.52942      10.47688 
1 1 1 7  23 16 o 47.53272 6.053147 23.56311       5.665489      18.92275       7.254546      28.19638       8.706873      42.36255 8.850378 52.70288 8.260338 -10.34033      12.10629 
1 1 1 7  23 17 o 96.85262 3.526290 94.36578       6.842227      92.09874       8.820225      96.63282       10.46383      95.73022 4.606813 97.97503 5.340051 -2.244812      7.052579 
1 1 1 7  23 18 o 29.48742 7.323261 7.970083       5.409029      5.494043       6.944952      10.44258       8.295970      26.35641 9.829078 32.61844 10.85863 -6.262030      14.64652 
1 1 1 7  23 19 o 49.83288 5.201905 25.37674       5.260254      21.48734       6.218790      29.25906       8.487252      46.05410 6.751614 53.61166 7.915491 -7.557564      10.40381 
1 1 1 7  23 20 o 116.8541 2.769503 137.1563       6.475249      133.8265       8.791886      140.5568       9.514507      115.4353 3.808146 118.2730 4.022264 -2.837784      5.539005 
1 1 1 7  23 21 o 23.79733 6.640550 2.992500       4.804011      -0.3757628     6.370398      6.360480       7.190785      20.19678 8.698118 27.39789 10.03645 -7.201107      13.28110 
1 1 1 7  23 22 f 123.9533 2.811125 154.5842       6.981792      147.1454       9.309056      162.0229       10.40716      120.9909 3.847008 126.9158 4.100026 -5.924904      5.622249 
1 1 1 7  23 23 o 42.02395 6.887709 19.10695       5.749794      16.00393       6.934327      22.20996       9.174451      38.66479 9.106882 45.38310 10.33571 -6.718307      13.77542 
1 1 1 7  23 24 o 86.89462 3.654320 76.30025       6.342061      77.64632       8.295970      74.95419       9.592437      87.73441 4.727889 86.05482 5.573445 1.679581       7.308640 
1 1 1 7  23 25 o 86.27966 4.783939 76.30025       8.380984      68.33726       9.351563      84.30576       13.91399      82.02448 5.700471 90.53484 7.684331 -8.510361      9.567879 
1 1 1 7  23 26 o 83.49306 4.254826 71.48279       6.975416      82.39294       9.273635      60.64347       10.42133      90.10076 5.146257 76.88537 6.777184 13.21539       8.509652 
1 1 1 7  23 27 o 147.2084 2.809021 218.6282       8.267632      221.2495       11.26438      216.0069       12.10036      148.1453 3.801803 146.2716 4.136264 1.873688       5.618041 
1 1 1 7  23 28 o 33.36793 6.947449 11.79572       5.164613      15.43008       6.827350      8.154280       7.750463      37.53818 9.161695 29.19768 10.44661 8.340496       13.89490 
1 1 1 7  23 29 o 43.75813 6.622642 21.09061       5.681075      19.75164       6.806805      22.42958       9.096521      42.72748 8.260169 44.78878 10.35409 -2.061298      13.24528 
1 1 1 7  23 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  23 31 o 22.67191 6.696842 2.216037       5.112188      -0.2629773     6.305221      4.694910       8.048012      19.64951 8.559962 25.69432 10.30135 -6.044809      13.39368 
1 1 1 7  23 32 o 82.62975 3.399951 70.31384       5.549303      63.89526       8.515590      76.72533       7.119940      78.54788 5.420637 86.71162 4.105528 -8.163742      6.799902 
1 1 1 7  23 33 o 22.20092 6.601142 2.361269       4.986792      2.794842       6.786260      1.926989       7.311223      22.26130 9.250524 22.14053 9.419561 0.1207752      13.20228 
1 1 1 7  23 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  23 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  23 36 o 26.45284 6.051845 8.586436       3.660570      8.876901       5.507504      8.288886       4.823140      26.79082 8.847469 26.11486 8.259637 0.6759682      12.10369 
1 1 1 7  23 37 o 21.57088 5.632092 5.116439       3.353811      3.314137       5.105103      6.918032       4.351311      19.53503 8.064560 23.60674 7.864143 -4.071705      11.26418 
1 1 1 7  23 38 o 46.95518 4.357467 25.77348       4.093434      25.22797       5.486251      26.31898       6.077100      46.77863 5.864057 47.13174 6.446929 -0.3531075     8.714933 
1 1 1 7  24 0  f 80.71600 6.976510 66.76450       11.10144      66.76450       11.10144      66.76450       11.10144      80.71600 6.976510 80.71600 6.976510 0.000000       0.000000 
1 1 1 7  24 1  f 159.2915 3.353064 254.5467       10.73304      240.3777       13.57394      268.7158       16.62028      154.8825 4.382010 163.7005 5.076429 -8.817978      6.706128 
1 1 1 7  24 2  o 177.5919 2.980821 316.0403       10.59135      320.0077       15.14670      312.0022       14.79956      178.7149 4.237671 176.4689 4.193248 2.246033       5.961643 
1 1 1 7  24 3  o 152.8740 3.053016 234.3559       9.337394      245.7619       13.56685      222.8789       12.83715      156.6076 4.331481 149.1405 4.303710 7.467072       6.106033 
1 1 1 7  24 4  o 72.99397 3.898243 53.46686       5.688868      54.49411       8.104689      52.43960       7.991336      73.69588 5.498740 72.29205 5.527120 1.403824       7.796486 
1 1 1 7  24 5  o 81.75261 3.535948 67.05496       5.781674      64.14323       8.026759      69.97379       8.324308      79.97390 5.018362 83.53133 4.982747 -3.557426      7.071897 
1 1 1 7  24 6  o 110.5179 2.961919 122.4205       6.548220      119.0199       9.054014      125.8210       9.464915      108.9845 4.153807 112.0512 4.223476 -3.066696      5.923839 
1 1 1 7  24 7  o 295.8467 2.885752 877.0634       17.07369      870.6873       23.96692      883.4393       24.32824      294.7737 4.065309 296.9198 4.096769 -2.146088      5.771503 
1 1 1 7  24 8  o 53.34135 5.520680 29.51410       5.547885      36.60571       7.559181      22.42250       8.125941      60.35103 6.262678 46.33168 9.093431 14.01934       11.04136 
1 1 1 7  24 9  o 149.4873 2.653978 223.8708       7.934660      219.6909       11.02351      228.1215       11.42024      148.0824 3.722088 150.8922 3.784239 -2.809860      5.307956 
1 1 1 7  24 10 o 203.4690 2.583500 414.7986       10.51342      420.2536       14.85623      409.3434       14.87749      204.8098 3.626836 202.1282 3.680210 2.681595       5.167000 
1 1 1 7  24 11 o 214.3666 2.840957 460.7062       12.19954      450.2919       15.81973      471.1913       18.57561      211.9721 3.731559 216.7611 4.284811 -4.788956      5.681913 
1 1 1 7  24 12 o 136.1031 3.134457 186.0394       8.515590      195.6035       11.71071      176.4045       12.35540      139.6423 4.193110 132.5640 4.660162 7.078232       6.268915 
1 1 1 7  24 13 o 111.4083 3.358733 124.9001       7.509589      115.2651       9.833311      134.4642       11.34940      107.1360 4.589170 115.6805 4.905494 -8.544426      6.717466 
1 1 1 7  24 14 o 62.03212 4.810793 39.49619       5.956663      29.62745       7.651280      49.36492       9.131943      54.13296 7.067117 69.93128 6.529226 -15.79832      9.621587 
1 1 1 7  24 15 o 19.47366 6.243211 -3.893651      5.238293      -5.921240      6.466748      -1.866770      8.246379      16.84772 7.854337 22.09959 9.706706 -5.251873      12.48642 
1 1 1 7  24 16 o 39.59332 5.985200 16.77614       4.791968      9.103605       6.417156      24.45576       7.119940      30.04109 9.529893 49.14554 7.243730 -19.10445      11.97040 
1 1 1 7  24 17 o 162.6269 2.610164 265.4569       8.487252      266.5196       11.70362      264.3942       12.29872      162.9686 3.590760 162.2853 3.789230 0.6833344      5.220327 
1 1 1 7  24 18 o 150.7699 2.630503 228.4048       7.948828      215.5110       10.64803      241.3695       11.79572      146.5141 3.633790 155.0257 3.804440 -8.511642      5.261007 
1 1 1 7  24 19 o 88.53053 3.383027 79.13406       6.002712      70.44136       7.970083      87.84802       8.976085      83.65051 4.763917 93.41056 4.804641 -9.760048      6.766054 
1 1 1 7  24 20 o 133.5886 2.737234 179.4508       7.297054      187.5272       10.04585      171.4453       10.59135      136.6167 3.676653 130.5606 4.056108 6.056152       5.474467 
1 1 1 7  24 21 o 85.76799 3.464754 74.17490       5.932575      76.51279       7.955913      71.83701       8.798972      87.16566 4.563674 84.37032 5.214495 2.795341       6.929508 
1 1 1 7  24 22 o 34.03618 7.073712 12.26330       5.158237      12.12161       6.656613      12.41208       7.885069      33.73091 9.477261 34.34145 10.50386 -0.6105385     14.14742 
1 1 1 7  24 23 o 91.87248 4.056645 85.51013       7.452912      85.22675       9.783719      85.79351       11.25021      91.80167 5.328726 91.94330 6.118018 -0.1416245     8.113290 
1 1 1 7  24 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  24 25 o 76.50503 5.155853 60.39551       7.679617      67.15415       8.827310      53.62980       12.57502      81.28712 5.429709 71.72293 8.766387 9.564194       10.31171 
1 1 1 7  24 26 o 67.40280 4.423103 46.58779       5.987126      41.46568       7.771716      51.70990       9.110690      63.72256 6.098089 71.08304 6.408484 -7.360481      8.846206 
1 1 1 7  24 27 o 109.9214 3.159601 122.4913       6.959122      117.3905       9.195704      127.5922       10.44966      107.6945 4.269346 112.1482 4.658863 -4.453705      6.319202 
1 1 1 7  24 28 o 130.0620 3.182114 171.9413       8.303054      182.7806       12.58210      161.1019       10.83931      134.0800 4.692014 126.0440 4.299813 8.035988       6.364227 
1 1 1 7  24 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  24 30 f 28.97029 7.064259 8.742295       4.998127      9.649114       6.815306      7.842561       7.311223      29.85485 9.842023 28.08573 10.13655 1.769114       14.12852 
1 1 1 7  24 31 o 107.7093 3.041456 118.5948       6.557429      115.2651       8.763549      121.9245       9.762465      106.2915 4.122414 109.1271 4.472978 -2.835655      6.082912 
1 1 1 7  24 32 o 36.50471 7.259795 16.08185       5.610938      14.70037       6.567348      17.47042       9.096521      35.42701 9.191761 37.58241 11.23966 -2.155403      14.51959 
1 1 1 7  24 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  24 34 o 57.41409 4.223752 35.54303       4.865647      37.81715       7.417490      33.27598       6.301678      59.03169 6.282635 55.79650 5.647019 3.235188       8.447504 
1 1 1 7  24 35 o 20.86666 6.145181 3.178115       4.254253      2.400943       5.647069      3.955995       6.365439      19.84269 8.352347 21.89063 9.016168 -2.047939      12.29036 
1 1 1 7  24 36 o 29.72374 7.472163 13.68729       5.858188      21.49443       10.12378      5.882275       5.895027      36.71458 11.99535 22.73289 8.913155 13.98170       14.94433 
1 1 1 7  24 37 o 42.80771 6.509827 25.06503       5.628649      24.64704       10.13795      25.48301       4.886192      37.67054 11.98106 47.94488 5.095635 -10.27434      13.01965 
1 1 1 7  25 0  o 18.79091 11.21315 3.986458       7.282885      3.986458       7.282885      3.986458       7.282885      18.79091 11.21315 18.79091 11.21315 0.000000       0.000000 
1 1 1 7  25 1  o 209.1939 3.045976 438.6734       12.74505      433.5725       17.83882      443.7742       18.20721      207.9798 4.288594 210.4080 4.326644 -2.428192      6.091952 
1 1 1 7  25 2  o 73.80853 4.393801 55.41510       6.380316      43.27224       8.933578      67.55797       9.110690      65.58610 6.810572 82.03097 5.553201 -16.44487      8.787601 
1 1 1 7  25 3  o 162.8224 3.033579 265.7403       9.875818      271.2662       13.91399      260.2852       14.02026      164.5099 4.228922 161.1349 4.350474 3.375061       6.067158 
1 1 1 7  25 4  o 94.55075 3.713845 89.97337       7.005879      98.68733       10.03168      81.18858       9.783719      99.17326 5.057652 89.92825 5.439736 9.245003       7.427690 
1 1 1 7  25 5  o 28.91968 7.018197 7.119940       5.200036      2.046009       7.061847      12.19245       7.637110      23.37075 9.539342 34.46861 10.29666 -11.09785      14.03639 
1 1 1 7  25 6  o 81.30188 3.570157 66.43153       5.787343      71.05771       8.076350      61.77699       8.295970      84.15955 4.798238 78.44421 5.287816 5.715340       7.140314 
1 1 1 7  25 7  o 150.8950 2.695687 228.1923       8.133026      225.0751       11.39190      231.3095       11.61861      149.8653 3.800715 151.9247 3.823805 -2.059418      5.391375 
1 1 1 7  25 8  o 74.50615 5.260313 56.52028       7.630026      45.59596       11.43441      67.43752       10.11669      67.13956 8.515407 81.87274 6.178303 -14.73318      10.52063 
1 1 1 7  25 9  o 121.9167 3.338082 149.4125       8.104689      161.3145       11.12269      137.5813       11.78155      126.7969 4.386029 117.0365 5.033282 9.760361       6.676165 
1 1 1 7  25 10 o 135.0361 3.469642 183.2056       9.365732      180.4427       13.84315      185.9686       12.61044      133.9839 5.165974 136.0883 4.633183 -2.104416      6.939285 
1 1 1 7  25 11 o 189.9240 3.385587 362.6565       12.90091      380.8637       19.68787      344.5201       16.67695      194.6318 5.057724 185.2162 4.502024 9.415619       6.771173 
1 1 1 7  25 12 o 75.62468 4.093080 57.66798       6.158571      60.88435       8.118857      54.45161       9.266549      77.78861 5.218539 73.46075 6.307143 4.327858       8.186159 
1 1 1 7  25 13 f 72.39378 3.800997 52.81508       5.494043      56.13063       7.778800      49.49952       7.764632      74.68327 5.207860 70.10428 5.537916 4.578995       7.601994 
1 1 1 7  25 14 o 104.0147 3.081040 108.6765       6.402987      112.2896       8.976085      105.1342       9.139028      105.7387 4.244464 102.2906 4.467187 3.448097       6.162080 
1 1 1 7  25 15 o 31.15488 6.951676 9.847479       4.922323      7.038468       6.527675      12.65295       7.367898      27.60118 9.615340 34.70859 10.04233 -7.107407      13.90335 
1 1 1 7  25 16 o 141.2031 2.735548 200.4210       7.722124      210.0560       10.87473      190.7152       10.95267      144.6296 3.759512 137.7766 3.974792 6.853043       5.471097 
1 1 1 7  25 17 o 158.7626 2.659035 253.2007       8.437660      261.0645       11.78155      245.2660       12.07910      161.2586 3.653000 156.2666 3.864901 4.991959       5.318070 
1 1 1 7  25 18 o 80.72337 3.622631 65.85768       5.854646      59.60913       7.877984      72.12038       8.664365      76.88122 5.123477 84.56551 5.122871 -7.684296      7.245263 
1 1 1 7  25 19 o 155.9023 2.652973 244.2742       8.274716      240.7319       11.29981      247.8164       12.09327      154.7925 3.649985 157.0122 3.851062 -2.219666      5.305947 
1 1 1 7  25 20 o 51.08471 5.378143 27.24706       5.257421      32.62420       7.346645      21.86991       7.523758      56.69436 6.479167 45.47505 8.585924 11.21931       10.75629 
1 1 1 7  25 21 o 68.91508 4.310204 48.20306       5.929033      50.02378       8.005506      46.38234       8.742295      70.28014 5.695426 67.55003 6.470977 2.730103       8.620407 
1 1 1 7  25 22 o 88.07121 3.942561 78.99238       6.960539      67.28875       9.110690      90.75267       10.52759      81.49407 5.589787 94.64836 5.561424 -13.15429      7.885122 
1 1 1 7  25 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  25 24 f 51.60465 6.547445 28.75606       6.401570      36.47110       8.458915      21.04102       9.606606      59.57978 7.098813 43.62952 11.00377 15.95026       13.09489 
1 1 1 7  25 25 o 22.22285 6.474045 -2.449118      5.438785      -13.31181      6.959831      8.416408       8.359732      14.44803 7.084827 29.99767 10.83782 -15.54963      12.94809 
1 1 1 7  25 26 o 70.32550 4.421970 50.77474       6.213122      51.99327       8.494337      49.56329       9.068183      71.25027 5.960915 69.40073 6.533205 1.849548       8.843940 
1 1 1 7  25 27 o 86.90292 3.611755 77.29209       6.307346      69.29367       8.154280      85.22675       9.620775      82.46474 4.944101 91.34110 5.266400 -8.876366      7.223511 
1 1 1 7  25 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  25 29 o 77.58107 3.864359 62.02495       5.997753      61.55029       7.948828      62.50670       8.983169      77.41721 5.133760 77.74492 5.777335 -0.3277054     7.728719 
1 1 1 7  25 30 o 53.96685 5.463148 32.19913       5.421782      42.21664       7.403321      22.18163       7.920490      63.70406 5.810714 44.22964 9.253084 19.47442       10.92630 
1 1 1 7  25 31 o 29.03365 7.198106 9.344479       5.231208      10.56302       6.903154      8.125941       7.863815      30.18672 9.905254 27.88058 10.44686 2.306141       14.39621 
1 1 1 7  25 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  25 33 o 20.87387 6.364263 1.402026       4.925157      2.885524       6.327891      -0.8161365E-01 7.545012      21.29958 8.896861 20.44816 9.102814 0.8514271      12.72853 
1 1 1 7  25 34 o 39.81312 5.580367 18.78106       4.303844      23.54894       5.756171      14.01318       6.399445      46.31410 6.214275 33.31214 9.270639 13.00196       11.16073 
1 1 1 7  25 35 o 18.13041 5.658171 0.4884775      4.083516      -1.554343      5.747669      2.531298       5.800803      16.62683 7.612792 19.63400 8.372872 -3.007172      11.31634 
1 1 1 7  25 36 o 42.58366 5.445283 22.74839       4.468206      22.21705       6.215956      23.27264       6.420699      42.12660 7.660721 43.04073 7.740657 -0.9141350     10.89057 
1 1 1 7  26 0  o 154.4015 3.797389 239.1025       11.71071      239.1025       11.71071      239.1025       11.71071      154.4015 3.797389 154.4015 3.797389 0.000000       0.000000 
1 1 1 7  26 1  o 130.8428 2.785547 171.5870       7.289969      171.9413       10.20170      171.3036       10.41424      130.9680 3.894732 130.7177 3.983486 0.2503510      5.571095 
1 1 1 7  26 2  o 32.46706 6.914189 10.49217       5.064013      6.327891       7.247461      14.66495       7.077433      27.62768 10.08029 37.30643 9.466354 -9.678749      13.82838 
1 1 1 7  26 3  o 29.05368 6.521825 6.957705       4.925157      -0.8310140     6.830184      14.74288       7.098687      20.71093 8.964016 37.39642 9.475401 -16.68549      13.04365 
1 1 1 7  26 4  o 134.2713 3.218465 181.0094       8.636027      186.2520       11.90907      175.6960       12.50417      136.2485 4.370351 132.2942 4.725897 3.954300       6.436930 
1 1 1 7  26 5  o 43.94917 6.933019 20.18379       6.696286      5.293552       9.578268      35.08253       9.358648      29.00628 11.36374 58.89207 7.945593 -29.88579      13.86604 
1 1 1 7  26 6  o 74.59506 5.522971 56.53445       8.140111      64.00153       11.03768      49.07445       11.96575      79.63232 6.930401 69.55780 8.601301 10.07452       11.04594 
1 1 1 7  26 7  o 34.29498 8.256434 11.17937       6.816014      12.27747       9.231127      10.08127       10.03168      35.11181 11.45432 33.47816 11.89427 1.633648       16.51287 
1 1 1 7  26 8  o 112.3365 3.962970 127.0962       8.919409      128.7965       14.26113      125.3251       10.71179      113.0023 6.310111 111.6708 4.796146 1.331436       7.925939 
1 1 1 7  26 9  o 99.00482 3.483995 98.89986       6.926533      87.35210       8.990252      110.4476       10.54176      93.21637 4.822250 104.7933 5.029790 -11.57690      6.967990 
1 1 1 7  26 10 o 67.19028 4.545511 45.93601       6.119606      37.92342       7.970083      53.94152       9.287803      61.27977 6.503030 73.10078 6.352738 -11.82102      9.091022 
1 1 1 7  26 11 o 138.8532 2.812885 193.6199       7.814223      186.6770       10.77555      200.4919       11.32106      136.3787 3.950599 141.3277 4.005252 -4.948990      5.625769 
1 1 1 7  26 12 o 138.2248 2.813502 191.7779       7.778800      191.4945       10.83931      192.1321       11.15812      138.1174 3.923950 138.3322 4.033087 -0.2148438     5.627004 
1 1 1 7  26 13 o 97.27634 3.275287 95.21592       6.372524      90.54014       8.791886      99.96254       9.231127      94.86897 4.633700 99.68371 4.630208 -4.814743      6.550573 
1 1 1 7  26 14 o 131.9206 2.875401 174.9876       7.587519      166.6987       10.44966      183.2765       11.00934      128.7960 4.056673 135.0453 4.076167 -6.249268      5.750803 
1 1 1 7  26 15 o 130.7895 2.830136 172.0829       7.403321      158.9057       10.18754      185.3310       10.74013      125.7546 4.050562 135.8243 3.953685 -10.06970      5.660272 
1 1 1 7  26 16 o 60.23793 4.616601 36.81115       5.540093      39.08529       7.523758      34.52994       8.133026      62.15975 6.051953 58.31610 6.973225 3.843647       9.233201 
1 1 1 7  26 17 o 39.29256 6.804406 16.56360       5.313388      16.88241       7.289969      16.23771       7.729208      39.70760 9.327843 38.87753 9.909142 0.8300667      13.60881 
1 1 1 7  26 18 o 127.3444 2.979226 163.3690       7.594603      151.3253       10.36465      175.4127       11.09435      122.6418 4.225576 132.0470 4.200910 -9.405205      5.958451 
1 1 1 7  26 19 o 44.90165 6.400705 21.53693       5.558513      19.71621       7.452912      23.35765       8.253463      42.97179 8.965260 46.83152 9.137846 -3.859726      12.80141 
1 1 1 7  26 20 o 127.9362 3.105783 164.9276       7.948828      163.2273       10.88182      166.6279       11.59027      127.3024 4.274004 128.5700 4.507377 -1.267632      6.211566 
1 1 1 7  26 21 o 110.8754 3.834209 124.6875       8.501422      123.9791       11.41316      125.3960       12.61044      110.6345 5.158045 111.1163 5.674435 -0.4817429     7.668418 
1 1 1 7  26 22 o 35.19700 7.829179 11.46275       7.311223      -2.136691      9.379901      25.06503       11.20771      23.08723 10.22614 47.30677 11.85792 -24.21954      15.65836 
1 1 1 7  26 23 o 56.23232 5.856487 33.84983       6.323640      24.34949       8.423491      43.35017       9.436578      47.55349 9.184646 64.91116 7.268840 -17.35768      11.71297 
1 1 1 7  26 24 o 42.02826 6.741414 18.30639       6.412197      31.68905       7.700871      4.930116       10.25838      55.47484 6.940868 28.58167 11.55902 26.89318       13.48283 
1 1 1 7  26 25 o 98.99688 3.493551 99.67917       6.916615      99.39579       9.195704      99.96254       10.33631      98.95225 4.646536 99.04151 5.218171 -0.8926392E-01 6.987103 
1 1 1 7  26 26 o 62.56081 4.872259 40.69347       6.093394      37.90925       8.465999      43.47060       8.763549      60.37993 7.010607 64.74168 6.768088 -4.361755      9.744518 
1 1 1 7  26 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  26 28 o 33.81154 7.175945 12.89382       5.322598      15.17504       7.275800      10.60552       7.771716      36.47637 9.773322 31.14672 10.50995 5.329657       14.35189 
1 1 1 7  26 29 o 62.30079 5.086014 41.94743       6.311597      52.80091       9.670367      31.09395       8.118857      70.67337 6.841592 53.92821 7.527468 16.74516       10.17203 
1 1 1 7  26 30 o 51.63187 5.515683 29.81874       5.530883      22.86174       7.268716      36.76865       8.338477      44.89085 8.406954 58.37291 7.142421 -13.48206      11.03137 
1 1 1 7  26 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  26 32 o 16.50472 5.508406 -6.854979      4.968372      -2.380398      6.500753      -11.32814      7.516674      17.76265 8.117537 15.24678 7.448205 2.515871       11.01681 
1 1 1 7  26 33 o 37.05466 6.135297 16.80448       4.775673      22.85465       6.310180      10.75430       7.169532      45.09115 6.997139 29.01818 10.08006 16.07297       12.27059 
1 1 1 7  26 34 o 52.42969 4.621690 31.25689       4.850060      30.42800       6.324349      32.08578       7.353730      52.17696 6.060481 52.68242 6.979301 -0.5054588     9.243380 
1 1 1 7  26 35 o 49.56970 4.343636 28.38058       4.313763      24.71080       5.708704      32.05036       6.468873      46.33274 6.160552 52.80667 6.125053 -6.473930      8.687271 
1 1 1 7  27 0  o 40.97270 14.03732 22.08953       10.31506      22.08953       10.31506      22.08953       10.31506      40.97270 14.03732 40.97270 14.03732 0.000000       0.000000 
1 1 1 7  27 1  o 33.45383 8.340884 10.18045       6.990294      9.847479       10.61969      10.52051       9.089437      33.67481 12.21040 33.23286 11.36607 0.4419518      16.68177 
1 1 1 7  27 2  o 128.4601 3.346699 165.8486       8.600604      163.1564       11.68237      168.5407       12.63170      127.4371 4.583583 129.4831 4.877739 -2.046028      6.693398 
1 1 1 7  27 3  o 145.2689 3.223851 212.3938       9.386987      194.4700       12.54668      230.3177       13.95650      139.1358 4.508790 151.4021 4.609085 -12.26630      6.447701 
1 1 1 7  27 4  o 45.63916 5.969560 22.32332       5.178782      13.26222       7.467082      31.37733       7.176617      35.52550 10.05580 55.75282 6.436101 -20.22732      11.93912 
1 1 1 7  27 5  o 116.1823 3.043700 135.6685       7.066806      129.4341       9.946663      141.8320       10.04585      113.5170 4.381135 118.8476 4.226357 -5.330597      6.087400 
1 1 1 7  27 6  o 123.7263 2.920861 153.8049       7.226208      162.0938       10.32923      145.5160       10.10252      127.0705 4.064369 120.3821 4.196024 6.688416       5.841722 
1 1 1 7  27 7  o 128.2837 3.108765 165.3526       7.970083      166.3445       10.74721      164.2900       11.78155      128.7108 4.174946 127.8566 4.607331 0.8542252      6.217529 
1 1 1 7  27 8  o 150.7531 2.796889 228.2632       8.430575      218.0614       11.75322      238.3940       12.09327      147.3893 3.987132 154.1169 3.923408 -6.727600      5.593778 
1 1 1 7  27 9  o 86.01553 3.858219 74.52913       6.648112      77.07955       9.982086      72.04955       8.784801      87.43629 5.708206 84.59477 5.192284 2.841515       7.716439 
1 1 1 7  27 10 o 144.0475 3.207495 208.7099       9.238212      208.9224       12.93633      208.4265       13.19846      144.1418 4.487363 143.9532 4.584286 0.1885376      6.414990 
1 1 1 7  27 11 o 80.11562 4.320919 65.62389       6.840810      51.63905       9.415324      79.62997       9.925409      71.40379 6.593015 88.82744 5.586905 -17.42365      8.641837 
1 1 1 7  27 12 o 46.97903 6.637727 23.40725       6.019715      22.37291       8.465999      24.44867       8.558097      45.86924 9.544265 48.08882 9.227389 -2.219578      13.27545 
1 1 1 7  27 13 o 35.16900 7.368261 13.01426       5.732083      7.991336       7.403321      18.03010       8.756464      29.31746 10.23741 41.02054 10.60003 -11.70308      14.73652 
1 1 1 7  27 14 o 51.82499 5.926571 28.67104       5.683908      38.19972       7.630026      19.14237       8.423491      61.41809 6.211546 42.23189 10.09523 19.18620       11.85314 
1 1 1 7  27 15 o 51.58746 6.727829 28.55769       6.482334      38.44059       7.729208      18.68187       10.40716      61.56871 6.276897 41.60622 11.90190 19.96248       13.45566 
1 1 1 7  27 16 o 53.21537 5.288743 28.87649       5.624399      27.34624       7.870899      30.40675       8.040927      51.78837 7.599100 54.64238 7.357776 -2.854012      10.57749 
1 1 1 7  27 17 o 28.20768 7.241135 6.206746       5.586851      0.8947747      7.637110      11.51943       8.161365      22.96454 9.692023 33.45082 10.76108 -10.48628      14.48227 
1 1 1 7  27 18 o 77.93332 4.264362 61.61406       6.650237      59.55246       9.103605      63.68273       9.698705      76.64347 5.938931 79.22317 6.121130 -2.579697      8.528724 
1 1 1 7  27 19 o 106.1739 3.729632 114.5566       7.863815      128.4423       10.98809      100.6002       11.25021      112.7448 4.872991 99.60300 5.647528 13.14180       7.459263 
1 1 1 7  27 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  27 21 o 81.17394 4.528630 67.40919       7.360813      64.33451       9.932493      70.47678       10.86765      79.36409 6.257549 82.98380 6.548056 -3.619705      9.057261 
1 1 1 7  27 22 o 27.42189 7.486537 5.802928       5.844728      4.774965       7.530843      6.830184       8.940661      25.84281 10.08609 29.00097 11.06633 -3.158159      14.97307 
1 1 1 7  27 23 o 22.41870 6.837592 -0.7984251     5.750503      2.676531       7.637110      -4.272672      8.600604      24.06153 9.887225 20.77587 9.447403 3.285656       13.67518 
1 1 1 7  27 24 o 38.65272 7.756819 16.64153       6.371107      17.20121       7.828392      16.08185       10.05293      39.34137 9.939908 37.96407 11.91097 1.377304       15.51364 
1 1 1 7  27 25 o 33.96093 7.470994 12.28455       5.965872      17.42083       7.998421      7.141194       8.855647      39.26723 10.12287 28.65463 10.99047 10.61259       14.94199 
1 1 1 7  27 26 o 68.80781 4.973108 50.39217       6.991002      38.53270       7.991336      62.25166       11.46984      60.79539 6.572321 76.82023 7.465374 -16.02484      9.946216 
1 1 1 7  27 27 f 107.7565 3.307096 119.0907       7.141194      113.3523       9.486169      124.7584       10.67637      105.2674 4.505749 110.2456 4.842083 -4.978226      6.614192 
1 1 1 7  27 28 o 23.58288 6.878679 3.331141       5.258838      2.874897       6.831601      3.787383       7.998421      22.60893 9.331046 24.55683 10.10923 -1.947899      13.75736 
1 1 1 7  27 29 o 32.89963 7.338590 12.72379       5.498294      14.47367       7.254546      10.97392       8.267632      34.90456 9.921810 30.89469 10.81560 4.009871       14.67718 
1 1 1 7  27 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  27 31 o 18.85912 6.039939 -2.466829      5.042760      -8.012589      6.462497      3.080348       7.743378      14.93691 7.208801 22.78134 9.693124 -7.844432      12.07988 
1 1 1 7  27 32 o 55.04262 5.476714 35.23131       5.522382      43.13054       6.994544      27.33207       8.543928      63.27147 5.527409 46.81378 9.456496 16.45769       10.95343 
1 1 1 7  27 33 o 35.88044 7.089886 17.71129       5.318347      17.00993       6.779175      18.41975       8.196787      35.85386 9.355789 35.90701 10.65529 -0.5315399E-01 14.17977 
1 1 1 7  27 34 o 27.37661 7.054965 11.12978       5.051970      8.636027       6.431325      13.61644       7.792970      25.07238 9.437063 29.68083 10.48961 -4.608456      14.10993 
1 1 1 7  27 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  28 0  o 139.8734 4.051866 196.5245       11.31397      196.5245       11.31397      196.5245       11.31397      139.8734 4.051866 139.8734 4.051866 0.000000       0.000000 
1 1 1 7  28 1  o 60.21571 5.507727 36.86074       6.696286      33.71522       7.998421      40.01336       10.74013      57.73010 6.927426 62.70131 8.564518 -4.971210      11.01545 
1 1 1 7  28 2  o 55.27434 5.979016 31.08686       6.609147      30.95226       9.642029      31.22147       9.039845      55.12146 8.746166 55.42722 8.154699 -0.3057556     11.95803 
1 1 1 7  28 3  o 65.92654 5.002907 44.00903       6.579392      42.76215       9.953747      45.26299       8.607689      64.91919 7.666260 66.93391 6.429992 -2.014717      10.00581 
1 1 1 7  28 4  o 109.0944 3.737982 119.8700       8.154280      119.8700       12.09327      119.8700       10.94558      109.0555 5.544551 109.1333 5.014776 -0.7781982E-01 7.475963 
1 1 1 7  28 5  o 98.53658 3.775617 97.83719       7.438744      97.19958       11.46275      98.47480       9.472000      98.14216 5.839870 98.93099 4.787176 -0.7888336     7.551234 
1 1 1 7  28 6  o 118.0443 3.091650 140.2026       7.297054      132.4096       10.22296      147.9956       10.40716      114.7491 4.454483 121.3395 4.288446 -6.590393      6.183299 
1 1 1 7  28 7  o 95.72356 3.875861 92.73634       7.481250      103.1506       11.74613      82.32210       9.273635      101.0638 5.811246 90.38334 5.130168 10.68044       7.751723 
1 1 1 7  28 8  o 170.5086 2.775292 292.0947       9.464915      300.4544       13.47475      283.8058       13.29056      172.9442 3.895693 168.0730 3.953804 4.871231       5.550584 
1 1 1 7  28 9  o 61.64333 5.050852 38.59645       6.208163      36.52069       9.075267      40.67930       8.473083      59.92500 7.572188 63.36167 6.686285 -3.436672      10.10170 
1 1 1 7  28 10 o 68.84011 4.327693 48.09679       5.927616      42.08204       8.338477      54.11155       8.423491      64.47527 6.466415 73.20495 5.753362 -8.729675      8.655385 
1 1 1 7  28 11 o 116.3747 3.138473 136.3061       7.297054      140.4151       10.28672      132.1971       10.36465      118.1429 4.353507 114.6066 4.521839 3.536331       6.276946 
1 1 1 7  28 12 o 73.28696 4.032230 54.37368       5.899987      57.37043       8.295970      51.37692       8.395153      75.33653 5.505941 71.23738 5.892379 4.099152       8.064461 
1 1 1 7  28 13 o 59.88298 5.028172 36.49944       6.009089      35.14629       8.798972      37.84549       8.189702      58.71888 7.492455 61.04708 6.707694 -2.328209      10.05634 
1 1 1 7  28 14 o 35.41888 7.756784 13.13470       6.085601      15.34507       9.082352      10.93141       8.104689      37.98022 11.20176 32.85753 10.73273 5.122688       15.51357 
1 1 1 7  28 15 o 115.6846 3.740921 135.6685       8.628942      149.1291       12.25622      122.1371       12.14286      121.5118 5.043221 109.8573 5.526651 11.65445       7.481842 
1 1 1 7  28 16 o 80.64065 4.834120 66.41736       7.785885      58.95736       10.70471      73.89152       11.29981      76.05050 7.037894 85.23080 6.628945 -9.180298      9.668241 
1 1 1 7  28 17 o 25.21435 7.586476 -0.5588976     6.984626      4.337142       9.068183      -5.455079      10.62678      27.29092 10.93755 23.13779 10.51610 4.153128       15.17295 
1 1 1 7  28 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  28 19 o 43.25240 7.949033 20.60886       7.119940      25.85849       9.500339      15.35923       10.61261      48.68870 10.09517 37.81610 12.28153 10.87260       15.89807 
1 1 1 7  28 20 o 37.02791 7.490719 14.50909       6.179825      20.47426       8.310139      8.536844       9.153197      43.32163 9.816644 30.73418 11.31711 12.58744       14.98144 
1 1 1 7  28 21 o 63.28136 5.097849 41.33816       6.458955      40.34633       8.565183      42.32999       9.670367      62.62065 6.838944 63.94208 7.561818 -1.321434      10.19570 
1 1 1 7  28 22 o 131.6807 3.127115 175.9086       8.210957      188.0231       11.47692      163.8649       11.75322      136.2883 4.210531 127.0731 4.624588 9.215187       6.254229 
1 1 1 7  28 23 o 63.30578 5.001957 41.97577       6.201787      50.00961       8.522675      33.94193       9.011506      69.71655 6.112376 56.89501 7.919417 12.82154       10.00391 
1 1 1 7  28 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  28 25 o 41.51274 6.986907 19.96417       5.897153      12.37665       7.523758      27.55877       9.082352      33.26630 10.27783 49.75918 9.467501 -16.49288      13.97381 
1 1 1 7  28 26 o 92.68085 4.080163 89.47746       7.651280      80.26759       8.954830      98.68733       12.41208      88.28850 5.071346 97.07320 6.393152 -8.784706      8.160327 
1 1 1 7  28 27 o 18.97566 6.167195 -4.043134      5.415406      -2.041758      7.282885      -6.045219      8.012589      19.52884 8.808830 18.42249 8.633752 1.106344       12.33439 
1 1 1 7  28 28 o 21.18067 6.628547 -0.5421073     5.559929      -0.3508253     7.608772      -0.7332476     8.111773      20.99921 9.267333 21.36212 9.479824 -0.3629131     13.25709 
1 1 1 7  28 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  28 30 f 28.40477 8.782007 3.428906       10.57010      -4.682158      17.42792      11.54068       11.95867      26.14438 12.39109 30.66515 12.44811 -4.520767      17.56401 
1 1 1 7  28 31 o 46.82205 6.141190 26.95659       5.672574      18.98651       7.105771      34.92667       8.841478      38.92484 9.251352 54.71926 8.078945 -15.79442      12.28238 
1 1 1 7  28 32 o 28.42361 6.539989 10.28672       4.860687      2.546175       6.518465      18.03010       7.212039      20.30246 8.771739 36.54477 9.702701 -16.24232      13.07998 
1 1 1 7  28 33 o 19.56412 6.031263 2.610645       4.435616      2.282632       6.017590      2.938658       6.517756      19.12415 8.346463 20.00409 8.708679 -0.8799381     12.06253 
1 1 1 7  28 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  29 0  o 232.6788 4.003468 543.1700       18.61811      543.1700       18.61811      543.1700       18.61811      232.6788 4.003468 232.6788 4.003468 0.000000       0.000000 
1 1 1 7  29 1  o 102.0911 3.321948 105.0634       6.776341      112.0062       9.670367      98.04973       9.493254      105.5025 4.583003 98.67961 4.810140 6.822899       6.643897 
1 1 1 7  29 2  o 129.8030 3.245789 169.5325       8.409323      173.5707       11.05893      165.5652       12.67420      131.3998 4.208123 128.2061 4.942902 3.193756       6.491578 
1 1 1 7  29 3  o 26.65875 7.068629 5.133441       5.246085      1.989332       7.488335      8.274716       7.346645      23.73142 9.777548 29.58607 10.21086 -5.854649      14.13726 
1 1 1 7  29 4  o 80.31433 3.799292 65.12089       6.096936      69.35743       8.706873      60.88435       8.536844      82.94508 5.248577 77.68358 5.494626 5.261505       7.598584 
1 1 1 7  29 5  o 130.7357 3.186327 171.9413       8.324308      173.7124       11.10852      170.1701       12.40499      131.4558 4.225193 130.0155 4.770582 1.440353       6.372653 
1 1 1 7  29 6  o 43.59203 7.242692 19.90041       6.526258      13.09219       9.897071      26.70863       8.508506      36.02816 11.86028 51.15591 8.316250 -15.12775      14.48538 
1 1 1 7  29 7  o 124.7285 3.610209 157.2054       8.947746      142.1154       13.02134      172.2955       12.27747      118.6495 5.487313 130.8074 4.692957 -12.15784      7.220419 
1 1 1 7  29 8  o 23.75491 7.311249 -0.9500339     6.499337      -0.9882903E-02 9.975000      -1.889441      8.338477      25.41165 10.91260 22.09817 9.733070 3.313480       14.62250 
1 1 1 7  29 9  o 92.85665 4.200892 87.35210       7.800055      86.92703       11.49817      87.70633       10.54176      92.59589 6.208792 93.11742 5.660468 -0.5215302     8.401785 
1 1 1 7  29 10 f 115.3127 3.736580 134.2516       8.628942      136.3770       13.38974      132.1263       10.88890      116.1216 5.765397 114.5038 4.754821 1.617744       7.473160 
1 1 1 7  29 11 o 85.92178 3.967958 74.74166       6.811056      69.12364       9.500339      80.33842       9.762465      82.67137 5.745845 89.17220 5.473940 -6.500832      7.935916 
1 1 1 7  29 12 o 55.06424 5.594675 31.20022       6.114647      26.70863       8.614774      35.69889       8.678535      50.98732 8.447957 59.14115 7.337137 -8.153831      11.18935 
1 1 1 7  29 13 o 34.64849 7.660019 12.56793       5.888652      13.19137       8.508506      11.95158       8.147196      35.39107 10.92885 33.90591 10.73610 1.485161       15.32004 
1 1 1 7  29 14 o 28.66341 7.763709 6.208871       6.233667      6.976833       8.713958      5.441618       8.912323      29.24866 10.98962 28.07816 10.96945 1.170500       15.52742 
1 1 1 7  29 15 o 47.57972 7.871033 24.80998       7.389152      28.36641       10.21588      21.24647       10.68345      51.21943 10.33487 43.94002 11.87447 7.279408       15.74207 
1 1 1 7  29 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  29 17 o 62.49839 7.040998 44.05862       8.133026      64.58246       12.02951      23.54185       10.95267      79.09759 7.604221 45.89920 11.85236 33.19839       14.08200 
1 1 1 7  29 18 o 38.76390 7.699448 16.27314       6.775633      25.91516       10.06710      6.624024       9.068183      48.56675 10.65476 28.96105 11.11764 19.60570       15.39890 
1 1 1 7  29 19 o 32.12910 7.878147 8.827310       6.920866      -1.032214      9.061099      18.68896       10.46383      23.29838 10.20443 40.95981 12.00543 -17.66143      15.75629 
1 1 1 7  29 20 o 22.06396 7.021589 -3.406945      6.539719      -4.505045      8.742295      -2.309553      9.727042      20.83510 9.487823 23.29283 10.35336 -2.457724      14.04318 
1 1 1 7  29 21 o 33.08629 7.851988 11.63278       6.245002      7.573349       8.005506      15.68512       9.585353      28.67771 10.58104 37.49487 11.60416 -8.817154      15.70398 
1 1 1 7  29 22 o 94.50977 4.008427 91.81535       7.566265      93.37395       10.02459      90.32761       11.33523      95.47862 5.249653 93.54092 6.058968 1.937698       8.016854 
1 1 1 7  29 23 o 76.53471 5.183804 62.41460       7.580434      76.86702       9.790804      47.98344       11.59027      86.28603 5.673458 66.78340 8.677509 19.50263       10.36761 
1 1 1 7  29 24 o 70.42263 4.942956 52.80091       6.852146      64.88001       9.932493      40.72181       9.443663      78.90974 6.293580 61.93552 7.623785 16.97421       9.885912 
1 1 1 7  29 25 o 22.63695 6.354083 -3.907820      5.601020      10.25130       7.594603      -18.06552      8.239295      30.53277 10.38950 14.74113 7.318182 15.79164       12.70817 
1 1 1 7  29 26 o 59.57947 7.690834 42.26623       8.572267      48.43685       8.657280      36.09562       14.79956      67.47606 6.415076 51.68287 13.98007 15.79319       15.38167 
1 1 1 7  29 27 o 34.78655 8.054259 14.13361       6.869856      18.66770       8.713958      9.599521       10.61969      39.11665 10.79297 30.45645 11.95810 8.660198       16.10852 
1 1 1 7  29 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  29 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  29 30 o 45.98543 5.771899 25.87266       5.132025      16.46442       6.640318      35.28090       7.828392      36.09924 9.174937 55.87162 7.005697 -19.77238      11.54380 
1 1 1 7  29 31 o 21.62787 6.310230 4.208204       4.559595      0.5063305      5.958079      7.913406       6.903154      18.19888 8.095654 25.05686 9.681755 -6.857979      12.62046 
1 1 1 7  29 32 o 26.48724 6.646297 9.783719       4.569514      12.68837       6.341352      6.882609       6.581517      29.71469 9.478239 23.25980 9.319660 6.454885       13.29259 
1 1 1 7  30 0  o 88.30911 5.285971 79.20491       9.266549      79.20491       9.266549      79.20491       9.266549      88.30911 5.285971 88.30911 5.285971 0.000000       0.000000 
1 1 1 7  30 1  o 49.81880 5.987403 26.17729       5.748378      20.31840       7.991336      32.03619       8.267632      43.58147 9.434717 56.05613 7.374423 -12.47466      11.97481 
1 1 1 7  30 2  o 106.8284 3.298953 114.9817       7.048388      115.5485       9.967916      114.4858       9.967916      107.0771 4.654551 106.5797 4.676272 0.4973755      6.597906 
1 1 1 7  30 3  o 88.42520 3.705341 78.99238       6.551762      75.73349       9.216957      82.25125       9.309056      86.58678 5.322381 90.26361 5.156594 -3.676826      7.410682 
1 1 1 7  30 4  o 42.97223 6.435548 20.05627       5.671157      31.38441       8.055097      8.735210       7.984251      55.50919 7.255642 30.43527 10.63112 25.07392       12.87110 
1 1 1 7  30 5  f 106.1686 3.376145 113.6357       7.169532      113.2106       10.18045      113.9899       10.09544      105.9816 4.802933 106.3556 4.746077 -0.3739777     6.752289 
1 1 1 7  30 6  o 30.22879 7.331741 7.488335       5.896444      14.81373       8.558097      0.1616687      8.111773      37.32247 10.83103 23.13510 9.884656 14.18736       14.66348 
1 1 1 7  30 7  o 88.90669 3.982396 79.98421       7.071057      75.23758       9.960832      84.73083       10.04585      86.24141 5.774971 91.57198 5.485219 -5.330574      7.964792 
1 1 1 7  30 8  o 75.53410 4.930673 58.10013       7.459997      59.26908       11.36357      56.92410       9.663282      76.19981 7.456428 74.86839 6.453514 1.331429       9.861346 
1 1 1 7  30 9  o 28.68365 7.558967 6.021840       6.108980      0.6975416      8.345562      11.34940       8.926493      23.75449 10.08367 33.61280 11.26372 -9.858318      15.11793 
1 1 1 7  30 10 o 34.61488 7.484242 11.39190       6.458246      1.280172       8.770633      21.50151       9.486169      24.71618 10.40666 44.51358 10.75904 -19.79740      14.96848 
1 1 1 7  30 11 o 35.87062 8.337874 11.06602       7.814223      1.224205       11.63986      20.89933       10.42841      27.97552 11.89315 43.76572 11.68904 -15.79019      16.67575 
1 1 1 7  30 12 o 47.11284 8.956536 24.44159       8.728126      21.06936       13.00717      27.82090       11.64695      43.90038 13.50372 50.32529 11.76978 -6.424908      17.91307 
1 1 1 7  30 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  30 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  30 15 o 50.16161 7.126400 28.43725       7.162447      12.85132       9.712874      44.02319       10.52051      35.12500 11.74939 65.19823 8.068095 -30.07323      14.25280 
1 1 1 7  30 16 o 78.42377 4.505579 62.88218       7.066098      62.47836       9.528677      63.28600       10.44258      78.24660 6.088876 78.60093 6.642784 -0.3543243     9.011159 
1 1 1 7  30 17 o 27.51711 7.030796 2.994626       6.043094      13.40391       8.019674      -7.417490      9.039845      35.13071 10.56296 19.90350 9.281819 15.22721       14.06159 
1 1 1 7  30 18 o 34.45214 7.802360 12.61753       6.189743      15.09711       8.409323      10.13795       9.082352      36.95871 10.74003 31.94558 11.32073 5.013123       15.60472 
1 1 1 7  30 19 o 43.97249 7.048314 21.45900       6.439827      11.59027       9.216957      31.32774       8.997337      33.30400 11.44248 54.64098 8.233142 -21.33697      14.09663 
1 1 1 7  30 20 o 29.94374 7.614137 8.317224       6.032466      12.10744       8.203872      4.534091       8.841478      33.30342 10.79660 26.58405 10.73936 6.719376       15.22827 
1 1 1 7  30 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  30 22 o 24.88024 6.936153 -4.265588      6.596395      -22.17454      8.961915      13.63770       9.684536      14.83741 7.402385 34.92308 11.73224 -20.08567      13.87231 
1 1 1 7  30 23 f 32.84299 8.826784 11.24313       8.033843      9.634944       10.45675      12.84423       12.19954      31.21042 11.95086 34.47555 12.99329 -3.265125      17.65357 
1 1 1 7  30 24 o 43.99388 8.651343 23.98818       8.310139      31.40567       11.16520      16.57069       12.31289      51.13427 11.22321 36.85349 13.16900 14.28078       17.30269 
1 1 1 7  30 25 o 77.35371 5.484079 65.28384       8.451830      65.83643       10.40007      64.72416       13.31889      78.56409 6.618846 76.14334 8.745934 2.420746       10.96816 
1 1 1 7  30 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  30 27 o 42.31426 7.514828 24.54785       6.511380      18.15762       9.089437      30.94518       9.323226      35.60870 11.34655 49.01982 9.856281 -13.41112      15.02966 
1 1 1 7  30 28 o 32.82681 7.047080 13.91399       6.101895      0.9719958      7.821308      26.85741       9.372816      20.85513 9.276449 44.79850 10.61098 -23.94337      14.09416 
1 1 1 7  30 29 o 21.40055 6.433702 2.743125       4.959163      -1.309927      6.665114      6.796887       7.346645      18.13593 8.265553 24.66518 9.861579 -6.529253      12.86740 
1 1 1 7  30 30 o 23.91805 6.634755 6.874816       4.759379      3.066888       6.160697      10.68345       7.254546      20.21265 8.624451 27.62346 10.08458 -7.410807      13.26951 
1 1 1 7  30 31 o 17.85838 5.744957 -0.4464663     4.614855      2.300343       6.287509      -3.192992      6.757213      19.23672 8.462352 16.48005 7.772177 2.756666       11.48991 
1 1 1 7  31 0  o 23.44946 12.93237 8.069265       8.671450      8.069265       8.671450      8.069265       8.671450      23.44946 12.93237 23.44946 12.93237 0.000000       0.000000 
1 1 1 7  31 1  o 22.01744 6.771990 -2.648193      5.874482      3.301385       8.572267      -8.600604      8.033843      25.97744 10.54148 18.05743 8.503915 7.920013       13.54398 
1 1 1 7  31 2  f 92.97966 3.839884 87.63548       7.119940      78.92152       10.02459      96.42028       10.10252      88.27881 5.677802 97.68050 5.171207 -9.401695      7.679767 
1 1 1 7  31 3  o 20.90486 6.665466 -4.840851      6.053721      -0.6820265     8.480167      -8.997337      8.643111      22.99927 9.971797 18.81044 8.847431 4.188831       13.33093 
1 1 1 7  31 4  o 41.66272 7.327177 18.78106       6.104020      16.63445       8.728126      20.92767       8.529759      39.24863 10.78960 44.07682 9.916379 -4.828194      14.65435 
1 1 1 7  31 5  o 74.30666 4.644368 56.84617       6.779883      69.59830       9.663282      44.10112       9.507423      82.87517 5.830023 65.73815 7.231283 17.13702       9.288736 
1 1 1 7  31 6  o 56.26593 6.939831 33.38225       7.672533      35.91142       12.01534      30.85307       9.549930      57.79582 10.79553 54.73605 8.723620 3.059772       13.87966 
1 1 1 7  31 7  o 50.83056 7.305835 27.84216       7.176617      26.06394       10.13795      29.61329       10.16628      49.07269 10.62929 52.58843 10.02592 -3.515747      14.61167 
1 1 1 7  31 8  o 53.34116 7.775307 30.52010       8.154280      34.26073       10.98809      26.77239       12.04368      57.42597 9.567176 49.25634 12.25931 8.169628       15.55061 
1 1 1 7  31 9  o 31.57117 8.652534 7.637110       7.807138      7.778800       10.93850      7.488335       11.15103      31.59430 12.19158 31.54804 12.28132 0.4625893E-01  17.30507 
1 1 1 7  31 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  31 11 o 146.0091 7.859091 228.1923       22.57127      237.7564       24.53369      218.5574       37.88800      151.3539 8.104744 140.6643 13.46753 10.68958       15.71818 
1 1 1 7  31 12 o 66.75581 6.023292 46.45318       8.026759      51.02978       11.52651      41.87658       11.16520      70.14135 8.216630 63.37027 8.809494 6.771076       12.04658 
1 1 1 7  31 13 o 155.5077 3.403459 244.9826       10.61261      235.2060       13.83606      254.7593       16.08894      152.5119 4.536061 158.5036 5.075261 -5.991684      6.806917 
1 1 1 7  31 14 o 68.87569 5.510708 49.66956       7.318307      60.91269       9.677451      38.41934       10.98100      77.18048 6.269364 60.57091 9.064585 16.60957       11.02142 
1 1 1 7  31 15 o 43.07818 7.835813 20.53802       7.282885      10.72596       10.53468      30.35007       10.05293      33.38832 12.15603 52.76803 9.890948 -19.37971      15.67163 
1 1 1 7  31 16 o 50.31126 7.410896 28.16096       7.360813      18.50476       10.77555      37.81007       10.01751      40.54117 12.25505 60.08134 8.336621 -19.54017      14.82179 
1 1 1 7  31 17 o 32.50463 8.283053 8.777717       7.545012      0.4881233E-01  10.64803      17.50584       10.68345      25.60573 11.13894 39.40354 12.26213 -13.79781      16.56611 
1 1 1 7  31 18 o 30.80563 7.906579 6.921574       7.098687      -1.341099      10.83223      15.18212       9.174451      24.88660 11.01054 36.72467 11.35006 -11.83807      15.81316 
1 1 1 7  31 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  31 20 o 38.61325 8.120625 17.18704       7.190785      8.458915       9.457831      25.90808       10.82514      30.09359 11.41142 47.13292 11.55671 -17.03933      16.24125 
1 1 1 7  31 21 o 22.55837 6.979350 -3.521714      6.588602      4.935075       8.657280      -11.97992      9.932493      26.26389 10.61994 18.85286 9.058825 7.411034       13.95870 
1 1 1 7  31 22 o 61.24982 5.384593 40.31799       6.576558      45.29841       9.542846      35.33757       9.054014      65.20199 7.317911 57.29766 7.900858 7.904327       10.76919 
1 1 1 7  31 23 o 35.04811 7.524625 14.66495       5.984292      19.05027       8.133026      10.27963       8.777717      39.81785 10.17414 30.27837 11.08904 9.539478       15.04925 
1 1 1 7  31 24 o 26.78834 7.750299 5.105812       6.753671      1.273088       9.521592      8.940661       9.578268      24.04544 10.49658 29.53124 11.40572 -5.485800      15.50060 
1 1 1 7  31 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  31 26 o 25.46796 7.459242 5.604562       6.264839      3.827057       9.054014      7.382068       8.657280      24.28843 10.41229 26.64750 10.68389 -2.359066      14.91848 
1 1 1 7  31 27 o 62.22613 5.890764 45.87934       7.304138      54.29574       10.87473      37.46293       9.748297      68.39573 7.949864 56.05653 8.695059 12.33920       11.78153 
1 1 1 7  31 28 o 23.72134 6.830694 3.271630       5.855353      12.01534       7.977167      -5.473498      8.572267      29.33055 10.58790 18.11213 8.633064 11.21842       13.66139 
1 1 1 7  31 29 o 26.62845 7.386647 9.358648       6.293886      12.09327       7.183701      6.625441       10.33631      28.79092 10.08146 24.46597 10.79881 4.324944       14.77329 
1 1 1 7  31 30 o 15.91984 5.417123 -5.052678      5.057637      -5.183033      6.512797      -4.922323      7.736294      15.19878 7.310925 16.64091 7.995702 -1.442137      10.83425 
1 1 1 7  32 0  o 135.1943 5.331617 184.8351       14.36740      184.8351       14.36740      184.8351       14.36740      135.1943 5.331617 135.1943 5.331617 0.000000       0.000000 
1 1 1 7  32 1  f 49.87415 7.770944 27.27539       7.906322      15.38049       11.38482      39.17738       10.97392      38.30190 12.72051 61.44641 8.929667 -23.14451      15.54189 
1 1 1 7  32 2  o 93.38400 4.855106 89.68999       8.983169      76.01688       12.72379      103.3631       12.68129      86.05959 7.392433 100.7084 6.296042 -14.64880      9.710212 
1 1 1 7  32 3  o 135.2121 3.983676 186.1103       10.74721      168.4698       15.04043      203.8216       15.35215      128.6977 5.843317 141.7265 5.416120 -13.02872      7.967352 
1 1 1 7  32 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  32 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  32 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  32 7  o 42.80112 9.462944 20.22630       9.124859      17.05243       13.48184      23.40016       12.30581      40.08508 13.83243 45.51715 12.91716 -5.432072      18.92589 
1 1 1 7  32 8  o 75.09692 6.159693 59.59496       9.174451      45.34800       12.18537      73.82067       13.71563      65.80052 9.259327 84.39331 8.126016 -18.59279      12.31939 
1 1 1 7  32 9  o 35.81540 8.488263 13.29764       7.226208      10.88182       10.20879      15.71346       10.21588      33.53743 11.99042 38.09336 12.01800 -4.555927      16.97653 
1 1 1 7  32 10 o 56.86256 6.470383 35.43676       6.891110      22.43667       9.542846      48.43685       9.946663      45.11565 10.72003 68.60946 7.248755 -23.49381      12.94077 
1 1 1 7  32 11 o 69.47530 5.124139 49.83250       7.098687      54.31700       10.06001      45.35508       10.01751      72.69569 6.919265 66.25490 7.559825 6.440788       10.24828 
1 1 1 7  32 12 o 37.88272 8.038860 15.81264       6.575140      16.25188       9.245295      15.38049       9.351563      38.34993 11.29894 37.41552 11.43797 0.9344139      16.07772 
1 1 1 7  32 13 o 36.35825 8.051199 14.48784       6.501462      14.63661       9.273635      14.34615       9.110690      36.52387 11.43618 36.19263 11.33583 0.3312340      16.10240 
1 1 1 7  32 14 o 28.15444 7.673368 6.283259       6.147944      4.663030       8.862731      7.906322       8.522675      26.89537 10.79884 29.41351 10.90447 -2.518139      15.34674 
1 1 1 7  32 15 o 31.22032 8.068418 9.011506       6.726750      11.70362       8.784801      6.318681       10.18754      33.17159 11.17398 29.26905 11.64215 3.902538       16.13684 
1 1 1 7  32 16 o 38.62693 9.345232 16.54943       8.905238      13.87857       13.78647      19.22029       11.27855      36.64882 13.81251 40.60505 12.59158 -3.956223      18.69046 
1 1 1 7  32 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  32 18 o 41.04687 8.430087 19.22738       7.750463      24.90208       9.882903      13.55977       11.93741      46.57311 10.80925 35.52062 12.93930 11.05249       16.86017 
1 1 1 7  32 19 o 26.50352 7.641069 3.951744       6.624732      7.672533       8.657280      0.2333640      10.02459      28.56652 10.89275 24.44052 10.71876 4.126001       15.28214 
1 1 1 7  32 20 o 50.37071 7.597588 29.93917       7.467082      36.34358       11.05185      23.53477       10.03876      56.29886 10.18950 44.44256 11.27242 11.85630       15.19518 
1 1 1 7  32 21 o 60.69664 7.051592 44.08695       7.934660      27.14079       11.10852      61.03312       11.34231      46.47598 11.89944 74.91730 7.569889 -28.44132      14.10318 
1 1 1 7  32 22 o 23.74111 7.407910 -0.6482334     7.098687      -4.378232      10.88890      3.081765       9.117774      22.59985 10.40221 24.88236 10.55000 -2.282505      14.81582 
1 1 1 7  32 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  32 24 o 28.17511 7.672106 9.422408       6.418573      3.078223       8.508506      15.77014       9.613690      22.93692 9.967234 33.41331 11.66615 -10.47639      15.34421 
1 1 1 7  32 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  32 26 o 28.83346 7.348618 9.861650       5.985001      15.85515       7.913406      3.870272       8.983169      34.10020 10.54165 23.56671 10.24120 10.53349       14.69724 
1 1 1 7  32 27 o 20.20657 6.509485 0.1081806      5.835517      0.3030048E-02  7.771716      0.2133148      8.706873      19.74606 8.979518 20.66708 9.426657 -0.9210224     13.01897 
1 1 1 7  32 28 o 20.56167 6.195484 0.3501169E-01  5.214205      -10.17337      7.339560      10.24421       7.410406      14.60863 7.195961 26.51472 10.08733 -11.90609      12.39097 
1 1 1 7  32 29 o 24.97611 6.934108 9.571183       5.149027      7.707955       7.502505      11.44150       7.053346      23.22652 9.693688 26.72570 9.917652 -3.499178      13.86822 
1 1 1 7  33 0  o 22.11415 13.09437 6.280425       9.804973      6.280425       9.804973      6.280425       9.804973      22.11415 13.09437 22.11415 13.09437 0.000000       0.000000 
1 1 1 7  33 1  o 53.18201 7.012874 30.28631       7.297054      32.73047       10.35048      27.84924       10.28672      55.92482 9.253924 50.43919 10.53976 5.485626       14.02575 
1 1 1 7  33 2  o 24.57013 7.422394 -2.093475      6.965498      6.152903       9.861650      -10.33631      9.840395      29.28626 11.51555 19.85400 9.368020 9.432261       14.84479 
1 1 1 7  33 3  o 31.59227 8.007461 7.828392       7.056888      16.32981       10.16628      -0.6753671     9.790804      38.69768 11.94541 24.48685 10.66700 14.21083       16.01492 
1 1 1 7  33 4  o 84.77380 4.617912 74.38744       7.736294      90.11507       11.20062      58.61022       10.66220      94.01698 5.956702 75.53062 7.058197 18.48636       9.235824 
1 1 1 7  33 5  o 40.87407 8.573988 18.10094       7.771716      14.34615       11.99409      21.85574       9.889987      37.35339 13.03172 44.39474 11.14573 -7.041351      17.14798 
1 1 1 7  33 6  o 25.51133 7.596664 1.808677       6.613398      2.899693       9.677451      0.7169532      9.018591      26.63856 11.05665 24.38409 10.42055 2.254469       15.19333 
1 1 1 7  33 7  o 37.42746 8.472457 15.22463       7.275800      19.33365       11.01642      11.12269       9.500339      41.61143 12.35371 33.24349 11.59810 8.367943       16.94491 
1 1 1 7  33 8  o 83.68788 4.666451 72.04955       7.800055      66.40318       10.87473      77.71716       11.18645      80.34033 6.767917 87.03543 6.426379 -6.695099      9.332902 
1 1 1 7  33 9  o 69.13870 5.211934 49.64830       7.190785      54.88376       10.35756      44.40576       9.975000      72.88113 7.105793 65.39628 7.626581 7.484856       10.42387 
1 1 1 7  33 10 o 20.87375 6.676806 -7.141194      6.409364      1.953202       9.153197      -16.23771      8.969000      25.22216 10.62600 16.52534 8.087461 8.696817       13.35361 
1 1 1 7  33 11 o 35.14890 7.996369 13.44641       6.395903      14.08402       8.806056      12.80881       9.273635      35.75607 11.13384 34.54172 11.48065 1.214352       15.99274 
1 1 1 7  33 12 o 34.84294 8.500509 12.90799       7.204955      13.38974       10.12378      12.43333       10.25838      35.26981 11.99536 34.41607 12.04765 0.8537445      17.00102 
1 1 1 7  33 13 o 32.47198 8.316803 10.33631       7.134109      5.894319       9.918325      14.77830       10.25838      28.54939 11.44008 36.39457 12.07483 -7.845175      16.63361 
1 1 1 7  33 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  33 15 o 60.30494 6.427741 40.67222       7.169532      53.87067       10.00334      27.47376       10.27963      71.70211 6.975624 48.90777 10.79834 22.79434       12.85548 
1 1 1 7  33 16 o 59.64555 5.853416 38.90108       6.672907      29.42909       9.216957      48.38017       9.649114      51.43926 9.300094 67.85185 7.110428 -16.41259      11.70683 
1 1 1 7  33 17 o 50.44414 6.750648 28.99693       6.578683      37.28582       9.344479      20.70805       9.259464      58.96215 7.924133 41.92613 10.93129 17.03603       13.50130 
1 1 1 7  33 18 o 72.64410 4.882330 56.24399       7.024299      66.03479       10.08835      46.45318       9.776634      79.31762 6.359466 65.97059 7.409844 13.34703       9.764660 
1 1 1 7  33 19 o 48.93672 7.037776 28.21763       6.655196      28.31682       9.195704      28.12554       9.620775      49.22495 9.685538 48.64849 10.21330 0.5764618      14.07555 
1 1 1 7  33 20 o 25.90026 7.477886 3.469288       6.554596      -3.729999      8.912323      10.66928       9.613690      20.68236 9.473847 31.11815 11.57244 -10.43579      14.95577 
1 1 1 7  33 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  33 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  33 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  33 24 o 35.95177 8.769773 19.27697       7.729208      16.19521       9.429493      22.35874       12.24913      33.95292 11.57674 37.95063 13.17630 -3.997711      17.53955 
1 1 1 7  33 25 o 19.04388 6.357803 -4.454745      6.480209      -6.748711      10.42133      -2.160778      7.700871      19.41800 9.317886 18.66976 8.652377 0.7482319      12.71561 
1 1 1 7  33 26 o 24.96404 7.279775 8.104689       5.910613      10.98809       8.997337      5.211371       7.665448      27.29795 10.91372 22.63013 9.636971 4.667816       14.55955 
1 1 1 7  33 27 o 19.19146 6.323598 -1.049926      5.988543      -5.579058      8.175533      3.478498       8.749379      16.92174 8.152279 21.46117 9.669122 -4.539427      12.64720 
1 1 1 7  34 0  o 25.67900 13.53022 10.30089       9.139028      10.30089       9.139028      10.30089       9.139028      25.67900 13.53022 25.67900 13.53022 0.000000       0.000000 
1 1 1 7  34 1  o 28.40982 7.635847 4.674365       6.629692      13.22680       9.670367      -3.877357      9.075267      35.20561 11.72365 21.61403 9.786760 13.59158       15.27169 
1 1 1 7  34 2  o 73.27079 4.976608 55.94644       7.226208      66.48820       10.50634      45.40467       9.932493      80.39739 6.534006 66.14419 7.508214 14.25320       9.953216 
1 1 1 7  34 3  o 84.33296 4.468670 73.18307       7.523758      79.98421       10.84640      66.41736       10.43549      88.31079 6.141037 80.35514 6.493359 7.955650       8.937341 
1 1 1 7  34 4  o 54.04738 7.157013 32.39750       7.552096      22.83340       10.01751      41.95451       11.29981      45.04467 11.16209 63.05010 8.960974 -18.00543      14.31403 
1 1 1 7  34 5  o 34.86323 8.077529 12.65295       6.828767      6.451162       9.422408      18.85899       9.882903      28.84641 11.27707 40.88005 11.56778 -12.03364      16.15506 
1 1 1 7  34 6  o 39.86305 8.294712 17.91675       7.070349      19.17071       9.932493      16.66279       10.06001      41.15630 11.58097 38.56980 11.87813 2.586498       16.58942 
1 1 1 7  34 7  o 60.11167 6.021706 38.24931       7.233293      33.08470       9.712874      43.42101       10.73304      55.97413 8.676217 64.24921 8.352666 -8.275082      12.04341 
1 1 1 7  34 8  o 46.01529 7.931324 23.71188       8.168448      37.91634       11.55485      9.500339       11.54068      59.42933 9.721503 32.60124 12.53459 26.82809       15.86265 
1 1 1 7  34 9  f 85.54906 5.783422 78.35477       9.854564      97.19958       14.94833      59.58080       12.83715      96.18272 7.770800 74.91539 8.567763 21.26733       11.56684 
1 1 1 7  34 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  34 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  34 12 o 30.18810 7.502837 7.212039       6.514922      -3.297843      8.855647      17.71838       9.564099      21.30536 9.656219 39.07085 11.48598 -17.76549      15.00567 
1 1 1 7  34 13 o 24.78434 7.509696 1.443116       6.677158      0.3926948      9.868733      2.493042       8.997337      24.57104 10.70646 24.99765 10.53346 -0.4266090     15.01939 
1 1 1 7  34 14 o 22.55483 7.089659 -1.208619      6.415740      -2.179198      8.919409      -0.2376148     9.224042      21.81134 9.798104 23.29833 10.24940 -1.486990      14.17932 
1 1 1 7  34 15 o 28.42544 7.690629 6.397319       6.498628      12.32706       9.075267      0.4654528      9.301972      33.08423 11.35542 23.76666 10.37485 9.317572       15.38126 
1 1 1 7  34 16 f 31.27408 7.493865 9.004422       6.591435      -2.139524      9.131943      20.14128       9.507423      21.84047 9.857044 40.70770 11.29029 -18.86722      14.98773 
1 1 1 7  34 17 o 55.35872 6.514804 35.23839       6.983918      29.28031       9.663282      41.18938       10.08835      49.72253 10.06879 60.99492 8.269831 -11.27239      13.02961 
1 1 1 7  34 18 o 32.36399 8.488551 9.918325       8.040927      18.03718       10.57718      1.801593       12.12161      38.01231 12.25288 26.71567 11.75113 11.29664       16.97710 
1 1 1 7  34 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  34 20 o 24.06538 11.90348 0.000000       0.000000      ?              ?             -2.041758      21.21813      ?        ?        24.06538 11.90348 ?              ?        
1 1 1 7  34 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  34 22 o 36.03223 7.328736 17.33581       5.651320      13.27639       7.566265      21.40233       8.402238      31.70877 10.37009 40.35567 10.35870 -8.646900      14.65747 
1 1 1 7  34 23 o 27.17340 7.280303 9.620775       5.454370      9.684536       7.389152      9.557014       8.026759      27.23668 10.14228 27.11013 10.44727 0.1265469      14.56061 
1 1 1 7  34 24 o 26.21247 6.486809 6.632525       5.280799      16.80448       7.240376      -3.541550      7.686701      34.67008 9.930370 17.75486 8.348804 16.91522       12.97362 
1 1 1 7  34 25 o 24.31972 7.247293 7.672533       6.039551      8.203872       8.203872      7.134109       8.869816      24.64902 10.20233 23.99042 10.29589 0.6586056      14.49459 
1 1 1 7  34 26 o 20.01734 6.352141 2.713370       5.417531      4.556053       6.913781      0.8706872      8.338477      20.70304 8.990443 19.33163 8.976120 1.371414       12.70428 
1 1 1 7  35 0  o 19.35990 12.01612 3.778173       9.054014      3.778173       9.054014      3.778173       9.054014      19.35990 12.01612 19.35990 12.01612 0.000000       0.000000 
1 1 1 7  35 1  o 40.73213 8.083102 19.07152       6.869148      20.36799       9.542846      17.77505       9.882903      42.12476 11.15039 39.33949 11.70534 2.785271       16.16620 
1 1 1 7  35 2  o 108.0358 4.024833 120.0826       8.699788      120.0826       12.28455      120.0826       12.31289      108.0393 5.685223 108.0322 5.698716 0.7164001E-02  8.049665 
1 1 1 7  35 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  35 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  35 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  35 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  35 7  o 67.67305 5.789519 49.07445       7.821308      42.59921       10.61969      55.54970       11.49109      63.06711 8.419359 72.27900 7.949120 -9.211891      11.57904 
1 1 1 7  35 8  o 77.47518 5.047414 62.98845       7.814223      59.86417       11.06602      66.11272       11.03059      75.45283 7.333069 79.49754 6.937696 -4.044708      10.09483 
1 1 1 7  35 9  o 27.02480 7.759515 4.367605       6.710455      7.835476       9.330310      0.8961915      9.642029      29.40774 11.28063 24.64185 10.65775 4.765884       15.51903 
1 1 1 7  35 10 o 42.49020 6.591577 20.31840       6.847187      0.4096977E-01  9.216957      40.58720       10.12378      23.51130 10.29479 61.46909 8.234851 -37.95779      13.18315 
1 1 1 7  35 11 o 61.40491 5.741036 40.62263       7.032801      43.58395       9.889987      37.66130       9.996255      63.84108 7.745786 58.96873 8.475895 4.872353       11.48207 
1 1 1 7  35 12 f 46.31144 7.617336 25.32006       6.985334      19.93583       9.656199      30.70430       10.09544      40.87592 11.39184 51.74696 10.11539 -10.87104      15.23467 
1 1 1 7  35 13 o 35.66581 7.921102 14.93416       6.577975      20.09169       9.110690      9.776634       9.493254      40.85865 10.93150 30.47297 11.46638 10.38568       15.84220 
1 1 1 7  35 14 o 30.68106 8.058473 6.585060       7.863815      18.86607       10.39299      -5.698786      11.80989      38.53978 12.11456 22.82234 10.62983 15.71743       16.11695 
1 1 1 7  35 15 o 57.20610 7.680900 38.80191       8.600604      38.61062       11.27855      38.98610       12.99301      58.24804 9.681487 56.16416 11.92701 2.083881       15.36180 
1 1 1 7  35 16 o 25.68121 8.057991 0.6767840      8.501422      -7.630026      10.98809      8.983169       12.97884      20.95116 9.889698 30.41126 12.72473 -9.460096      16.11598 
1 1 1 7  35 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  35 18 o 51.85711 7.269611 34.51577       7.374983      38.90817       10.27255      30.13046       10.59135      56.72499 9.054695 46.98922 11.37548 9.735779       14.53922 
1 1 1 7  35 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  35 20 f 25.72273 6.740252 3.722914       5.805762      15.55052       7.962997      -8.104689      8.451830      34.07203 10.58307 17.37344 8.350011 16.69859       13.48050 
1 1 1 7  35 21 o 51.40296 6.065069 32.37625       6.084892      32.87216       8.295970      31.88033       8.905238      52.65992 7.876931 50.14601 9.224652 2.513912       12.13014 
1 1 1 7  35 22 o 35.35033 7.261998 17.83882       5.496878      14.33906       7.353730      21.34565       8.175533      31.74315 10.21507 38.95752 10.32467 -7.214363      14.52400 
1 1 1 7  35 23 o 21.97234 6.485070 4.172781       5.079599      9.252379       7.091603      -0.9068182     7.275800      25.63615 9.834406 18.30853 8.456299 7.327621       12.97014 
1 1 1 7  35 24 o 39.87811 6.727893 23.05302       5.350936      26.46776       7.410406      19.64537       7.715039      44.21788 8.689053 35.53833 10.27417 8.679546       13.45579 
1 1 1 7  36 0  o 40.40380 16.96969 25.49010       13.70854      25.49010       13.70854      25.49010       13.70854      40.40380 16.96969 40.40380 16.96969 0.000000       0.000000 
1 1 1 7  36 1  o 23.22285 7.643045 -9.479085      8.855647      -17.34290      12.34832      -1.612436      12.68837      20.16744 9.779666 26.27826 11.74831 -6.110826      15.28609 
1 1 1 7  36 2  o 50.55833 7.783802 29.89667       7.927575      19.70204       10.75430      40.09129       11.63986      40.67508 12.23243 60.44159 9.629017 -19.76651      15.56760 
1 1 1 7  36 3  o 28.78049 8.271384 5.925491       7.530843      7.403321       9.804973      4.445535       11.43441      29.20098 11.48229 28.35999 11.90883 0.8409996      16.54277 
1 1 1 7  36 4  o 57.18930 7.236104 38.13596       8.168448      51.57529       12.97175      24.70371       9.918325      68.45441 9.474737 45.92418 10.93957 22.53023       14.47221 
1 1 1 7  36 5  o 41.79157 7.870962 20.72930       7.025008      12.95758       9.889987      28.49393       9.982086      33.89539 11.83279 49.68776 10.38236 -15.79236      15.74192 
1 1 1 7  36 6  o 22.95156 7.305905 -2.437783      7.098687      -3.975831      9.557014      -0.8997338     10.49217      21.64405 9.873316 24.25907 10.77138 -2.615019      14.61181 
1 1 1 7  36 7  o 18.17261 6.173279 -12.07910      6.624024      -8.388069      9.429493      -15.77014      9.309056      19.50927 9.195058 16.83595 8.239443 2.673319       12.34656 
1 1 1 7  36 8  o 34.01845 7.914629 12.39082       6.952746      2.866396       9.500339      21.91950       10.15211      25.40666 10.77052 42.63024 11.60006 -17.22357      15.82926 
1 1 1 7  36 9  o 23.12456 7.095936 -3.863896      6.837976      -16.26605      9.323226      8.536844       10.00334      16.58834 8.155405 29.66078 11.61459 -13.07244      14.19187 
1 1 1 7  36 10 o 33.37712 8.892930 13.00009       8.168448      9.089437       10.78264      16.90366       12.27747      30.16242 11.98370 36.59182 13.14260 -6.429398      17.78586 
1 1 1 7  36 11 o 53.03030 8.337651 34.84874       8.841478      40.96268       11.76030      28.73480       13.20554      59.65405 9.857084 46.40656 13.45004 13.24748       16.67530 
1 1 1 7  36 12 o 23.37473 7.635923 -6.635359      8.650196      -0.5955954E-01 11.56902      -13.21263      12.87257      25.28686 11.26389 21.46261 10.31281 3.824242       15.27185 
1 1 1 7  36 13 o 38.72223 9.426497 21.26772       9.195704      12.04368       11.76738      30.49177       14.12653      31.71251 12.54433 45.73195 14.07392 -14.01943      18.85299 
1 1 1 7  36 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  36 15 o 21.94939 11.11255 -26.77948      24.42742      -26.77948      24.42742      ?              ?             21.94939 11.11255 ?        ?        ?              ?        
1 1 1 7  36 16 o 22.37962 7.047693 0.4143735      6.448328      -3.222747      8.749379      4.051636       9.472000      20.02995 9.259694 24.72930 10.62723 -4.699358      14.09539 
1 1 1 7  36 17 o 25.40790 7.426036 6.744461       6.136609      6.786968       8.784801      6.702662       8.565183      25.48819 10.55400 25.32760 10.44975 0.1605949      14.85207 
1 1 1 7  36 18 o 27.23566 6.403704 2.648901       5.925491      20.31840       8.232210      -15.01918      8.522675      39.20745 10.34645 15.26386 7.548559 23.94359       12.80741 
1 1 1 7  36 19 o 24.29431 7.082150 6.308763       5.594644      8.055097       7.998421      4.563846       7.821308      25.70479 10.28452 22.88382 9.739405 2.820965       14.16430 
1 1 1 7  36 20 o 28.45878 6.474113 8.593520       5.499003      20.79306       7.644195      -3.613812      7.906322      38.95843 9.809746 17.95913 8.451357 20.99930       12.94823 
1 1 1 7  36 21 o 44.71124 6.435347 26.77948       5.653445      30.13046       7.927575      23.42141       8.062181      48.94846 8.097880 40.47402 10.00395 8.474445       12.87069 
1 1 1 7  36 22 o 19.57984 6.205219 2.276255       5.027883      1.346767       6.986042      3.205745       7.233293      18.91265 8.573911 20.24702 8.972571 -1.334370      12.41044 
1 1 1 7  37 0  o 18.39652 11.84832 2.357728       9.712874      2.357728       9.712874      2.357728       9.712874      18.39652 11.84832 18.39652 11.84832 0.000000       0.000000 
1 1 1 7  37 1  o 61.01246 6.288653 42.10329       7.374983      49.22322       10.36465      34.97626       10.48509      67.27708 7.702958 54.74784 9.942488 12.52923       12.57731 
1 1 1 7  37 2  o 57.06169 7.241131 38.10762       7.962997      33.46726       11.86657      42.74090       10.61969      52.06087 11.68490 62.06252 8.555641 -10.00165      14.48226 
1 1 1 7  37 3  o 33.44541 9.116257 12.56085       8.876901      5.904237       11.69654      19.21321       13.35432      28.52548 12.01452 38.36535 13.71408 -9.839865      18.23251 
1 1 1 7  37 4  o 31.10389 8.663826 10.23004       7.913406      10.23004       11.47692      10.23004       10.90307      31.22249 12.37652 30.98528 12.12721 0.2372055      17.32765 
1 1 1 7  37 5  o 28.01363 8.251617 5.556387       7.835476      10.85348       11.58319      0.2574514      10.55593      31.69029 12.47410 24.33697 10.80526 7.353321       16.50323 
1 1 1 7  37 6  o 36.67193 8.454519 14.49492       9.032760      -7.509589      10.69762      36.49944       14.55868      20.99134 9.864425 52.35252 13.73349 -31.36118      16.90904 
1 1 1 7  37 7  o 24.37383 7.851609 -3.239750      8.558097      0.1730039E-01  11.36357      -6.497211      12.80881      25.12451 11.17831 23.62314 11.02889 1.501368       15.70322 
1 1 1 7  37 8  o 29.36466 8.427508 3.412612       8.848563      15.26714       11.61152      -8.444746      13.36140      35.34978 12.77278 23.37954 10.99762 11.97024       16.85502 
1 1 1 7  37 9  o 34.77256 9.141768 15.79139       9.472000      1.678322       12.55377      29.91083       14.17612      25.52372 11.53624 44.02140 14.18460 -18.49768      18.28354 
1 1 1 7  37 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  37 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  37 12 o 28.85226 8.120065 9.911241       7.212039      13.38265       9.819141      6.436993       10.57010      31.32881 11.68655 26.37571 11.27681 4.953104       16.24013 
1 1 1 7  37 13 o 45.90422 14.02915 32.39750       14.06985      32.39750       14.06985      ?              ?             45.90422 14.02915 ?        ?        ?              ?        
1 1 1 7  37 14 o 21.01501 6.894194 -2.638274      6.974000      4.298177       10.86057      -9.571183      8.749379      24.95882 11.03596 17.07121 8.266029 7.887611       13.78839 
1 1 1 7  37 15 o 23.63350 7.059259 3.357353       6.031758      -2.926614      8.168448      9.642029       8.876901      19.24132 8.914929 28.02569 10.94790 -8.784374      14.11852 
1 1 1 7  37 16 o 25.41110 7.189027 6.767839       5.841185      1.526005       8.182618      12.00826       8.338477      21.30513 9.482109 29.51707 10.80824 -8.211937      14.37805 
1 1 1 7  37 17 o 24.79502 7.186893 7.098687       5.714372      5.243251       7.920490      8.954830       8.239295      23.27800 9.849495 26.31203 10.46868 -3.034027      14.37379 
1 1 1 7  37 18 o 19.86930 6.334570 -0.2981873     5.571265      5.442327       7.835476      -6.038135      7.927575      22.88745 9.744806 16.85114 8.096040 6.036314       12.66914 
1 1 1 7  37 19 o 17.13276 5.738533 -4.665155      5.341018      -10.70471      7.282885      1.377230       7.814223      14.35036 7.068054 19.91517 9.042437 -5.564812      11.47707 
1 1 1 7  37 20 o 49.59668 5.880198 32.54628       5.667614      35.78390       8.033843      29.30865       7.998421      53.19671 7.551071 45.99664 9.015999 7.200069       11.76040 
1 1 1 7  38 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  38 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  38 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  38 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  38 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  38 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  38 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  38 7  o 27.61680 8.175270 6.050887       8.303054      15.58594       11.37065      -3.483457      12.10036      32.71920 12.48144 22.51439 10.56191 10.20481       16.35054 
1 1 1 7  38 8  o 24.36189 7.681026 1.151234       7.707955      4.079974       10.44966      -1.776797      11.34231      25.50357 11.06364 23.22021 10.65779 2.283360       15.36205 
1 1 1 7  38 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  38 10 o 37.63299 12.23224 21.19688       10.52759      21.19688       10.52759      ?              ?             37.63299 12.23224 ?        ?        ?              ?        
1 1 1 7  38 11 o 27.97118 7.852725 9.535762       6.587184      8.919409       8.437660      10.15211       10.11669      27.29177 10.67107 28.65060 11.52343 -1.358826      15.70545 
1 1 1 7  38 12 o 38.55990 7.477284 20.27589       6.300971      27.49501       8.919409      13.06385       8.898154      46.22776 9.932816 30.89204 11.17937 15.33572       14.95457 
1 1 1 7  38 13 o 24.70086 6.739562 3.720789       5.754754      -8.026759      7.970083      15.46550       8.303054      16.51923 7.979735 32.88249 10.86327 -16.36326      13.47912 
1 1 1 7  38 14 f 26.45389 7.414454 9.096521       5.873774      10.42133       8.274716      7.771716       8.338477      27.55460 10.60973 25.35318 10.36003 2.201422       14.82891 
1 1 1 7  38 15 o 15.73722 5.410472 -8.728126      5.434533      -5.701620      7.679617      -11.74613      7.693786      16.75460 8.029901 14.71984 7.253520 2.034762       10.82094 
1 1 1 7  38 16 o 26.31715 7.273623 10.11669       5.543635      10.17337       7.814223      10.06001       7.863815      26.37175 10.27788 26.26256 10.29502 0.1091976      14.54725 
1 1 1 7  38 17 o 25.97576 6.952415 9.202788       5.490501      15.60011       7.615856      2.804052       7.906322      31.41570 10.40401 20.53582 9.225009 10.87988       13.90483 
1 1 1 7  38 18 o 20.42331 6.312378 3.905694       5.030007      7.736294       7.197870      0.7637110E-01  7.026425      23.00156 9.540584 17.84506 8.268117 5.156498       12.62476 
1 1 1 7  39 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  39 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 7  39 2  f 29.62474 12.53352 0.000000       0.000000      ?              ?             11.51943       12.82298      ?        ?        29.62474 12.53352 ?              ?        
1 1 1 7  39 3  o 20.11320 6.778193 -7.835476      7.651280      -0.7148278     10.94558      -14.95542      10.69762      22.61473 10.41727 17.61167 8.675031 5.003057       13.55639 
1 1 1 7  39 4  o 21.78461 6.996935 -0.4877690E-02 6.662989      -0.1097392E-01 10.09544      0.1222079E-02  8.699788      22.37689 10.19146 21.19233 9.589708 1.184559       13.99387 
1 1 1 7  39 5  o 29.92941 7.840069 11.80281       6.269798      10.37882       8.798972      13.22680       8.933578      28.62379 10.96202 31.23503 11.21164 -2.611248      15.68014 
1 1 1 7  39 6  o 24.94263 7.117306 3.632232       6.252795      -6.303804      8.699788      13.56685       8.983169      18.33355 8.720136 31.55171 11.25093 -13.21816      14.23461 
1 1 1 7  39 7  o 18.05204 6.060141 -6.349853      5.968707      -9.882903      8.373900      -2.813262      8.508506      16.56178 8.038167 19.54230 9.071334 -2.980524      12.12028 
1 1 1 7  39 8  o 30.89740 7.926316 13.58811       6.330725      13.45350       9.110690      13.72271       8.791886      30.72288 11.29295 31.07192 11.12543 -0.3490410     15.85263 
1 1 1 7  39 9  o 30.60939 7.769119 13.51726       6.066473      12.98592       8.494337      14.04860       8.664365      30.13184 10.92093 31.08695 11.05306 -0.9551048     15.53824 
1 1 1 7  39 10 o 22.81699 7.088138 2.867104       6.477375      6.984626       8.593520      -1.250417      9.691620      24.82975 10.36946 20.80424 9.666495 4.025507       14.17628 
1 1 1 7  39 11 o 18.27508 6.122681 -4.056595      5.979333      -2.830973      8.862731      -5.282216      8.033843      19.18033 9.005262 17.36983 8.297840 1.810503       12.24536 
1 1 1 7  39 12 o 23.83040 7.304721 5.943202       6.556013      9.457831       9.188620      2.426447       9.358648      25.94451 10.77150 21.71630 9.869683 4.228209       14.60944 
1 1 1 7  39 13 o 35.45156 7.466623 19.61703       6.585768      29.96751       9.202788      9.266549       9.422408      45.42749 10.35566 25.47563 10.75928 19.95186       14.93325 
1 1 1 7  39 14 f 28.53730 7.301814 10.82514       6.735959      -4.808262      9.011506      26.46067       10.01751      17.85765 8.592311 39.21696 11.80839 -21.35931      14.60363 
1 1 1 7  39 15 o 23.90932 6.950402 7.516674       5.891485      13.46767       7.757547      1.568512       8.869816      27.99439 10.39847 19.82426 9.225195 8.170130       13.90080 
1 1 1 7  40 0  o 12.47145 8.813652 -5.749086      8.232210      -5.749086      8.232210      -5.749086      8.232210      12.47145 8.813652 12.47145 8.813652 0.000000       0.000000 
1 1 1 7  40 1  o 24.67453 7.293566 6.748711       6.051595      5.209246       8.515590      8.288886       8.600604      23.53964 10.09484 25.80942 10.52989 -2.269777      14.58713 
1 1 1 7  40 2  o 24.65750 7.335568 5.035675       6.688493      -0.8621858     10.27255      10.93141       8.572267      21.37922 9.940724 27.93578 10.79001 -6.556557      14.67114 
1 1 1 7  40 3  o 24.76207 7.224347 6.580809       6.046636      11.93741       8.820225      1.222079       8.274716      28.69704 10.97955 20.82710 9.392242 7.869936       14.44869 
1 1 1 7  40 4  o 16.88050 8.098778 -6.189034      7.863815      -6.189034      7.863815      ?              ?             16.88050 8.098778 ?        ?        ?              ?        
1 1 1 7  40 5  o 25.55771 7.285824 3.159695       7.141194      -11.95158      10.44258      18.27097       9.741212      17.55415 8.630510 33.56128 11.74084 -16.00714      14.57165 
1 1 1 7  40 6  o 28.84209 7.960240 12.66712       7.091603      21.28897       10.72596      4.041717       9.280719      35.02317 12.31348 22.66102 10.09158 12.36215       15.92048 
1 1 1 7  40 7  o 34.44753 8.415768 20.21921       7.079559      20.20504       10.37882      20.22630       9.634944      34.04169 12.09793 34.85336 11.70217 -0.8116760     16.83154 
1 1 1 7  40 8  o 22.47760 7.124534 4.499377       6.632525      8.388069       10.44966      0.6089143      8.175533      25.12126 10.98096 19.83394 9.080441 5.287327       14.24907 
1 1 1 7  40 9  o 20.93794 6.600133 3.141984       5.621565      2.934407       8.168448      3.349560       7.722124      20.93803 9.391867 20.93786 9.275766 0.1716614E-03  13.20027 
1 1 1 7  40 10 o 23.76038 7.069358 7.764632       5.720040      7.622942       8.210957      7.906322       7.962997      23.66641 10.02188 23.85434 9.973221 -0.1879292     14.13872 
1 1 1 7  40 11 o 31.40540 6.350099 14.04151       5.632900      -0.5782384     7.821308      28.65688       8.111773      18.24372 8.546401 44.56709 9.394364 -26.32337      12.70020 
1 1 1 7  41 0  o 9.692117 7.109982 -12.16412      7.509589      -12.16412      7.509589      -12.16412      7.509589      9.692117 7.109982 9.692117 7.109982 0.000000       0.000000 
1 1 1 7  41 1  o 17.30745 5.814281 -3.863896      5.482708      -10.25130      7.141194      2.526339       8.324308      14.14063 6.972892 20.47428 9.306032 -6.333644      11.62856 
1 1 1 7  41 2  o 20.31397 6.386194 2.026172       5.462872      -3.946076      7.622942      7.998421       7.828392      16.83820 8.053160 23.78975 9.913653 -6.951553      12.77239 
1 1 1 7  41 3  o 18.85672 6.136631 -1.949659      5.736334      -9.875818      8.380984      5.979333       7.835476      15.51322 7.640821 22.20022 9.604729 -6.687002      12.27326 
1 1 1 7  41 4  o 26.60707 7.513175 12.22079       6.057263      9.804973       8.019674      14.63661       9.075267      24.86996 10.16089 28.34418 11.07012 -3.474216      15.02635 
1 1 1 7  41 5  o 18.57790 6.011295 -0.9989170     5.372190      -8.380984      7.736294      6.382442       7.459997      15.13777 7.437976 22.01802 9.445590 -6.880254      12.02259 
1 1 1 8  0  0  o 534.6700 7.894384 2861.437       84.37660      2861.437       84.37660      2861.437       84.37660      534.6700 7.894384 534.6700 7.894384 0.000000       0.000000 
1 1 1 8  0  1  o 480.6601 5.048669 2311.678       48.52186      2311.678       48.52186      2311.678       48.52186      480.6601 5.048669 480.6601 5.048669 0.000000       0.000000 
1 1 1 8  0  2  o 578.2462 6.013385 3346.018       69.52746      3346.018       69.52746      3346.018       69.52746      578.2462 6.013385 578.2462 6.013385 0.000000       0.000000 
1 1 1 8  0  3  o 314.2925 3.457626 988.2903       21.72822      988.2903       21.72822      988.2903       21.72822      314.2925 3.457626 314.2925 3.457626 0.000000       0.000000 
1 1 1 8  0  4  o 530.0792 5.539820 2811.845       58.71648      2811.845       58.71648      2811.845       58.71648      530.0792 5.539820 530.0792 5.539820 0.000000       0.000000 
1 1 1 8  0  5  o 16.02032 6.894451 3.662696       2.251460      3.662696       2.251460      3.662696       2.251460      16.02032 6.894451 16.02032 6.894451 0.000000       0.000000 
1 1 1 8  0  6  o 32.22067 3.668858 10.78264       2.311678      10.78264       2.311678      10.78264       2.311678      32.22067 3.668858 32.22067 3.668858 0.000000       0.000000 
1 1 1 8  0  7  o 109.4247 2.040999 119.8700       4.463246      119.8700       4.463246      119.8700       4.463246      109.4247 2.040999 109.4247 2.040999 0.000000       0.000000 
1 1 1 8  0  8  o 655.2085 6.791961 4297.469       88.98154      4297.469       88.98154      4297.469       88.98154      655.2085 6.791961 655.2085 6.791961 0.000000       0.000000 
1 1 1 8  0  9  o 394.0349 4.229853 1553.635       33.32557      1553.635       33.32557      1553.635       33.32557      394.0349 4.229853 394.0349 4.229853 0.000000       0.000000 
1 1 1 8  0  10 o 354.1039 3.852350 1254.668       27.27539      1254.668       27.27539      1254.668       27.27539      354.1039 3.852350 354.1039 3.852350 0.000000       0.000000 
1 1 1 8  0  11 o 274.3201 3.635111 753.0842       19.93583      753.0842       19.93583      753.0842       19.93583      274.3201 3.635111 274.3201 3.635111 0.000000       0.000000 
1 1 1 8  0  12 o 467.4109 4.943920 2186.282       46.20523      2186.282       46.20523      2186.282       46.20523      467.4109 4.943920 467.4109 4.943920 0.000000       0.000000 
1 1 1 8  0  13 o 281.7376 3.204506 794.1744       18.05135      794.1744       18.05135      794.1744       18.05135      281.7376 3.204506 281.7376 3.204506 0.000000       0.000000 
1 1 1 8  0  14 o 18.48641 7.488043 4.764338       2.696368      4.764338       2.696368      4.764338       2.696368      18.48641 7.488043 18.48641 7.488043 0.000000       0.000000 
1 1 1 8  0  15 o 334.8004 3.700915 1121.479       24.77456      1121.479       24.77456      1121.479       24.77456      334.8004 3.700915 334.8004 3.700915 0.000000       0.000000 
1 1 1 8  0  16 o 66.36356 3.287552 44.37033       4.340684      44.37033       4.340684      44.37033       4.340684      66.36356 3.287552 66.36356 3.287552 0.000000       0.000000 
1 1 1 8  0  17 o 453.6343 5.585845 2059.469       50.66139      2059.469       50.66139      2059.469       50.66139      453.6343 5.585845 453.6343 5.585845 0.000000       0.000000 
1 1 1 8  0  18 o 140.9844 2.713249 199.0041       7.644195      199.0041       7.644195      199.0041       7.644195      140.9844 2.713249 140.9844 2.713249 0.000000       0.000000 
1 1 1 8  0  19 o 945.8901 9.735297 8961.916       184.1266      8961.916       184.1266      8961.916       184.1266      945.8901 9.735297 945.8901 9.735297 0.000000       0.000000 
1 1 1 8  0  20 o 709.7601 7.378167 5042.760       104.7092      5042.760       104.7092      5042.760       104.7092      709.7601 7.378167 709.7601 7.378167 0.000000       0.000000 
1 1 1 8  0  21 o 453.8842 4.887558 2061.595       44.35616      2061.595       44.35616      2061.595       44.35616      453.8842 4.887558 453.8842 4.887558 0.000000       0.000000 
1 1 1 8  0  22 o 243.1579 3.508087 591.7698       17.05243      591.7698       17.05243      591.7698       17.05243      243.1579 3.508087 243.1579 3.508087 0.000000       0.000000 
1 1 1 8  0  23 o 163.1178 2.537798 266.3070       8.274716      266.3070       8.274716      266.3070       8.274716      163.1178 2.537798 163.1178 2.537798 0.000000       0.000000 
1 1 1 8  0  24 o 547.3617 5.768852 2999.585       63.13722      2999.585       63.13722      2999.585       63.13722      547.3617 5.768852 547.3617 5.768852 0.000000       0.000000 
1 1 1 8  0  25 o 11.75294 7.322360 1.020171       3.387816      1.020171       3.387816      1.020171       3.387816      11.75294 7.322360 11.75294 7.322360 0.000000       0.000000 
1 1 1 8  0  26 o 415.8231 4.510122 1731.456       37.49835      1731.456       37.49835      1731.456       37.49835      415.8231 4.510122 415.8231 4.510122 0.000000       0.000000 
1 1 1 8  0  27 o 46.51393 4.030831 22.13912       3.695993      22.13912       3.695993      22.13912       3.695993      46.51393 4.030831 46.51393 4.030831 0.000000       0.000000 
1 1 1 8  0  28 o 10.85623 6.993631 0.2310970      3.387108      0.2310970      3.387108      0.2310970      3.387108      10.85623 6.993631 10.85623 6.993631 0.000000       0.000000 
1 1 1 8  0  29 f 211.9738 2.805179 449.8669       11.88782      449.8669       11.88782      449.8669       11.88782      211.9738 2.805179 211.9738 2.805179 0.000000       0.000000 
1 1 1 8  0  30 o 233.5444 3.437080 546.4997       16.04643      546.4997       16.04643      546.4997       16.04643      233.5444 3.437080 233.5444 3.437080 0.000000       0.000000 
1 1 1 8  0  31 o 20.07066 9.344035 5.955245       4.139484      5.955245       4.139484      5.955245       4.139484      20.07066 9.344035 20.07066 9.344035 0.000000       0.000000 
1 1 1 8  0  32 o 83.04332 3.407376 69.42828       5.638568      69.42828       5.638568      69.42828       5.638568      83.04332 3.407376 83.04332 3.407376 0.000000       0.000000 
1 1 1 8  0  33 o 429.5275 5.441596 1854.727       46.72948      1854.727       46.72948      1854.727       46.72948      429.5275 5.441596 429.5275 5.441596 0.000000       0.000000 
1 1 1 8  0  34 o 17.38819 9.551003 4.353436       4.706954      4.353436       4.706954      4.353436       4.706954      17.38819 9.551003 17.38819 9.551003 0.000000       0.000000 
1 1 1 8  0  35 o 178.3646 3.319127 319.1575       11.83114      319.1575       11.83114      319.1575       11.83114      178.3646 3.319127 178.3646 3.319127 0.000000       0.000000 
1 1 1 8  0  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  0  37 o 9.844137 6.953971 -5.045594      5.110063      -5.045594      5.110063      -5.045594      5.110063      9.844137 6.953971 9.844137 6.953971 0.000000       0.000000 
1 1 1 8  0  38 o 19.70221 10.20773 5.925491       5.136983      5.925491       5.136983      5.925491       5.136983      19.70221 10.20773 19.70221 10.20773 0.000000       0.000000 
1 1 1 8  0  39 o 12.93604 9.525358 -29.85416      14.32489      -29.85416      14.32489      -29.85416      14.32489      12.93604 9.525358 12.93604 9.525358 0.000000       0.000000 
1 1 1 8  0  40 o 42.57272 6.555699 19.38324       5.289301      19.38324       5.289301      19.38324       5.289301      42.57272 6.555699 42.57272 6.555699 0.000000       0.000000 
1 1 1 8  0  41 o 97.18752 3.594623 95.64099       6.966206      95.64099       6.966206      95.64099       6.966206      97.18752 3.594623 97.18752 3.594623 0.000000       0.000000 
1 1 1 8  0  42 o 19.14327 10.12393 5.834100       5.131316      5.834100       5.131316      5.834100       5.131316      19.14327 10.12393 19.14327 10.12393 0.000000       0.000000 
1 1 1 8  0  43 o 60.38642 4.503287 37.85966       5.378566      37.85966       5.378566      37.85966       5.378566      60.38642 4.503287 60.38642 4.503287 0.000000       0.000000 
1 1 1 8  0  44 o 45.45242 4.920725 22.01868       4.381066      22.01868       4.381066      22.01868       4.381066      45.45242 4.920725 45.45242 4.920725 0.000000       0.000000 
1 1 1 8  0  45 o 10.49657 6.762077 0.6629692      3.166779      0.6629692      3.166779      0.6629692      3.166779      10.49657 6.762077 10.49657 6.762077 0.000000       0.000000 
1 1 1 8  0  46 o 30.51935 6.647267 11.33523       3.551468      11.33523       3.551468      11.33523       3.551468      30.51935 6.647267 30.51935 6.647267 0.000000       0.000000 
1 1 1 8  1  0  o 615.6551 6.393844 3793.051       78.70899      3793.051       78.70899      3793.051       78.70899      615.6551 6.393844 615.6551 6.393844 0.000000       0.000000 
1 1 1 8  1  1  o 193.9740 1.714123 376.3296       6.648820      382.6348       9.542846      370.0244       9.266549      195.5989 2.439391 192.3491 2.408785 3.249878       3.428246 
1 1 1 8  1  2  o 398.3712 3.006642 1587.641       23.95275      1572.054       33.54519      1603.226       34.21114      396.4164 4.231055 400.3259 4.272911 -3.909454      6.013285 
1 1 1 8  1  3  o 828.5516 6.026423 6876.233       99.89171      6830.892       140.3443      6922.283       142.1154      825.8028 8.497447 831.3005 8.547778 -5.497681      12.05285 
1 1 1 8  1  4  o 731.3626 5.773221 5358.021       84.58914      5272.298       108.7474      5444.452       129.5050      725.5858 7.493762 737.1394 8.784294 -11.55359      11.54644 
1 1 1 8  1  5  o 297.3452 2.339995 884.1478       13.92108      866.4365       19.31948      902.5676       20.04210      294.3090 3.282176 300.3813 3.336110 -6.072327      4.679990 
1 1 1 8  1  6  o 259.6225 2.104023 674.3044       10.93141      658.5060       15.13253      690.1029       15.77014      256.5813 2.948877 262.6637 3.001963 -6.082458      4.208047 
1 1 1 8  1  7  o 323.1960 2.511358 1044.966       16.23063      1037.173       22.81215      1052.759       23.10261      321.9912 3.542356 324.4008 3.560813 -2.409668      5.022716 
1 1 1 8  1  8  o 302.6202 2.451528 916.0281       14.78539      946.4916       18.78814      886.2732       22.83340      307.6059 3.053931 297.6345 3.835813 9.971405       4.903055 
1 1 1 8  1  9  o 463.4193 3.579098 2149.443       33.19805      2135.274       40.35341      2163.612       52.73007      461.9426 4.367795 464.8960 5.671168 -2.953369      7.158196 
1 1 1 8  1  10 f 391.2639 3.075314 1532.381       24.12278      1504.043       28.94025      1560.011       38.60354      387.7247 3.732063 394.8032 4.888959 -7.078552      6.150627 
1 1 1 8  1  11 o 269.0977 2.251476 724.7462       12.12161      721.9124       14.77830      726.8716       19.22029      268.6491 2.750485 269.5462 3.565307 -0.8971252     4.502952 
1 1 1 8  1  12 o 741.2711 5.588261 5505.379       82.74717      5553.554       102.4421      5457.204       130.0009      744.6851 6.878218 737.8570 8.809357 6.828125       11.17652 
1 1 1 8  1  13 o 652.2822 5.170498 4260.629       67.41627      4288.259       88.91070      4233.000       101.3794      654.4588 6.792689 650.1057 7.797151 4.353088       10.34100 
1 1 1 8  1  14 o 967.9729 7.035576 9394.070       136.2353      9528.677       195.3910      9252.381       189.8651      975.0788 10.01924 960.8671 9.879883 14.21173       14.07115 
1 1 1 8  1  15 o 332.9756 2.604554 1109.436       17.34998      1123.605       24.85957      1094.558       24.20071      335.1552 3.708665 330.7961 3.657951 4.359192       5.209107 
1 1 1 8  1  16 o 463.8292 4.280579 2152.985       39.77248      2131.731       45.30549      2174.947       65.39010      461.5723 4.907735 466.0860 7.014811 -4.513672      8.561158 
1 1 1 8  1  17 o 549.4163 4.404132 3021.547       48.45102      2986.833       62.72632      3055.552       73.82067      546.3263 5.740738 552.5063 6.680528 -6.179993      8.808265 
1 1 1 8  1  18 o 157.1897 1.970400 247.1080       6.194703      243.7783       8.742295      250.5085       8.777717      156.1194 2.799875 158.2601 2.773194 -2.140701      3.940800 
1 1 1 8  1  19 o 315.0723 2.720460 993.2495       17.12328      1015.920       23.10970      970.5789       25.27047      318.6758 3.625894 311.4688 4.056663 7.207001       5.440921 
1 1 1 8  1  20 o 696.5848 5.530106 4859.979       77.07955      4882.650       116.9654      4837.309       100.3876      698.1288 8.377065 695.0409 7.221706 3.087891       11.06021 
1 1 1 8  1  21 f 434.4848 3.607180 1889.441       31.38441      1919.196       48.19598      1859.686       40.21881      437.8769 5.503370 431.0927 4.664752 6.784210       7.214360 
1 1 1 8  1  22 o 292.5571 2.799923 856.5182       16.38649      874.2295       23.68354      838.8069       22.65629      295.5801 4.006282 289.5341 3.912542 6.045929       5.599846 
1 1 1 8  1  23 o 149.4559 1.982505 223.5165       5.929033      228.5466       8.529759      218.4157       8.232210      151.1496 2.821629 147.7623 2.785627 3.387299       3.965010 
1 1 1 8  1  24 o 375.8993 2.922036 1414.070       21.97617      1446.659       31.83782      1382.189       30.30048      380.1788 4.187217 371.6198 4.076812 8.559021       5.844072 
1 1 1 8  1  25 f 254.7762 2.345377 649.6503       11.95867      645.2579       15.69929      654.1135       18.03718      253.9227 3.091353 255.6298 3.527989 -1.707108      4.690753 
1 1 1 8  1  26 o 318.1528 2.762946 1013.794       17.59086      1002.459       22.96801      1025.130       26.65904      316.4075 3.629498 319.8982 4.166801 -3.490692      5.525893 
1 1 1 8  1  27 o 222.9726 2.176978 497.7582       9.719957      485.2895       12.66003      510.2978       14.76414      220.1874 2.874832 225.7578 3.269906 -5.570435      4.353957 
1 1 1 8  1  28 o 404.3351 3.378123 1640.066       27.36041      1607.477       35.24548      1672.655       41.85533      400.4114 4.401158 408.2589 5.126076 -7.847565      6.756245 
1 1 1 8  1  29 f 98.62680 2.097729 97.48296       4.139484      102.4421       6.001295      92.52380       5.702329      101.1371 2.966911 96.11652 2.966363 5.020569       4.195458 
1 1 1 8  1  30 o 171.6827 1.980924 295.3535       6.816723      285.2227       8.834394      305.4844       10.38590      168.7565 2.617498 174.6090 2.974046 -5.852509      3.961849 
1 1 1 8  1  31 o 35.12540 3.964972 12.72379       2.720455      10.31506       3.595393      15.13253       4.084224      31.47970 5.928041 38.77110 5.267100 -7.291391      7.929944 
1 1 1 8  1  32 o 160.8822 1.976670 259.4350       6.360480      259.4350       8.529759      259.4350       9.436578      160.9011 2.650622 160.8633 2.933105 0.3781128E-01  3.953341 
1 1 1 8  1  33 o 86.90584 2.207605 75.80434       3.838392      75.30843       5.068973      76.22942       5.765380      86.65873 2.924675 87.15295 3.307622 -0.4942169     4.415211 
1 1 1 8  1  34 o 178.6755 2.091337 320.2910       7.459997      327.3047       10.01042      313.2065       11.07310      180.6753 2.770280 176.6757 3.133736 3.999588       4.182673 
1 1 1 8  1  35 o 142.8209 1.946975 204.7426       5.567014      216.0069       8.203872      193.4782       7.530843      146.7462 2.795259 138.8956 2.710972 7.850586       3.893949 
1 1 1 8  1  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  1  37 o 125.9557 2.007008 159.3308       5.055512      161.0311       7.268716      157.7014       7.031384      126.6071 2.870579 125.3042 2.805726 1.302979       4.014016 
1 1 1 8  1  38 o 112.6422 2.014087 127.5922       4.536926      127.0962       6.543260      128.0881       6.286801      112.4094 2.910459 112.8749 2.784855 -0.4654160     4.028174 
1 1 1 8  1  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  1  40 o 117.8617 2.002187 140.0609       4.716164      135.9519       6.782009      144.1699       6.553887      116.1024 2.920702 119.6211 2.739437 -3.518692      4.004375 
1 1 1 8  1  41 o 48.25098 3.303500 24.20071       3.147651      19.22029       4.361229      29.18822       4.539051      43.11363 5.057831 53.38834 4.250976 -10.27471      6.607000 
1 1 1 8  1  42 o 34.58585 4.479617 12.94341       3.010212      11.33523       4.349185      14.55160       4.162862      31.92218 7.003162 37.24951 5.587808 -5.327335      8.959234 
1 1 1 8  1  43 o 78.15538 2.233041 62.66256       3.504003      70.64681       5.327558      54.67122       4.553220      83.13316 3.204231 73.17759 3.111075 9.955574       4.466082 
1 1 1 8  1  44 o 68.23440 2.144097 47.77798       2.913154      44.11529       4.228040      51.43360       4.007712      65.50839 3.227098 70.96040 2.823907 -5.452011      4.288195 
1 1 1 8  1  45 o 28.60537 5.895552 10.42841       4.281174      10.68345       3.337516      10.18045       7.885069      30.56297 5.672631 26.64776 10.33689 3.915209       11.79110 
1 1 1 8  1  46 o 82.78462 1.968891 71.27025       3.261003      69.06696       4.499377      73.46645       4.721831      81.53519 2.759163 84.03405 2.809475 -2.498856      3.937782 
1 1 1 8  2  0  o 100.6590 2.029879 101.4503       4.082807      101.4503       4.082807      101.4503       4.082807      100.6590 2.029879 100.6590 2.029879 0.000000       0.000000 
1 1 1 8  2  1  f 935.7428 6.798707 8770.633       127.2379      8926.493       182.9222      8621.858       176.9713      943.8510 9.690208 927.6346 9.538844 16.21631       13.59741 
1 1 1 8  2  2  o 894.6520 6.504977 8019.674       116.3986      8118.858       166.4862      7920.491       162.7314      900.1755 9.247428 889.1284 9.151174 11.04712       13.00995 
1 1 1 8  2  3  o 327.3147 2.740999 1071.888       17.98050      1096.683       27.65796      1047.092       22.97509      331.0914 4.176786 323.5380 3.550601 7.553345       5.481999 
1 1 1 8  2  4  o 329.2799 2.552060 1084.640       16.80448      1091.724       23.88191      1077.555       23.65520      330.3552 3.614581 328.2047 3.603728 2.150482       5.104121 
1 1 1 8  2  5  o 276.0978 2.282397 762.2941       12.56793      782.1308       15.82681      743.1660       19.52493      279.6343 2.829912 272.5612 3.581752 7.073090       4.564795 
1 1 1 8  2  6  o 281.0584 2.426231 790.6322       13.65895      775.7547       17.54835      804.8012       20.93475      278.4832 3.150702 283.6336 3.690457 -5.150360      4.852462 
1 1 1 8  2  7  o 707.9608 5.353726 5020.798       75.80434      5021.506       92.80718      5020.089       119.8700      708.1649 6.552653 707.7567 8.468308 0.4082031      10.70745 
1 1 1 8  2  8  o 256.3249 2.169535 657.3724       11.16520      637.5358       13.23388      677.2090       17.99467      252.4670 2.620913 260.1828 3.458084 -7.715744      4.339070 
1 1 1 8  2  9  o 103.8514 1.540946 108.0389       3.231249      99.46662       3.829890      116.6112       5.205703      99.72672 1.920193 107.9760 2.410584 -8.249283      3.081891 
1 1 1 8  2  10 o 384.0892 3.013458 1476.414       23.08844      1512.545       29.12445      1440.282       35.82641      388.8178 3.745257 379.3607 4.721946 9.457153       6.026917 
1 1 1 8  2  11 o 264.9413 2.229059 702.1465       11.80281      705.9014       14.52326      698.4626       18.61103      265.6542 2.733490 264.2285 3.521767 1.425629       4.458117 
1 1 1 8  2  12 o 483.1305 3.727026 2335.766       36.04602      2316.637       43.71856      2355.602       57.33500      481.1671 4.542970 485.0939 5.909680 -3.926819      7.454052 
1 1 1 8  2  13 o 235.9634 2.153987 556.9139       10.15211      565.4153       13.52434      548.4834       15.15378      237.7604 2.844112 234.1664 3.235688 3.594086       4.307975 
1 1 1 8  2  14 o 663.4243 5.271890 4407.279       70.08005      4296.052       89.26492      4518.506       108.1097      655.1166 6.812903 671.7319 8.047091 -16.61530      10.54378 
1 1 1 8  2  15 o 766.1731 6.464494 5880.858       99.11240      5766.089       137.5105      5995.627       142.6822      758.7076 9.062154 773.6385 9.221502 -14.93097      12.92899 
1 1 1 8  2  16 o 319.0005 2.735434 1018.045       17.43500      1002.459       26.09228      1033.631       23.13095      316.5506 4.121345 321.4504 3.597903 -4.899841      5.470867 
1 1 1 8  2  17 o 756.9070 6.588832 5739.876       100.1751      5860.313       171.3745      5620.148       103.8590      764.5163 11.20803 749.2976 6.930426 15.21869       13.17766 
1 1 1 8  2  18 o 586.3375 4.477294 3441.659       52.38292      3373.647       81.68449      3509.670       65.60263      580.4752 7.036002 592.1997 5.538894 -11.72449      8.954589 
1 1 1 8  2  19 o 486.5214 3.981832 2369.063       38.81607      2420.780       59.87834      2318.054       49.41451      491.7588 6.088182 481.2840 5.133613 10.47482       7.963664 
1 1 1 8  2  20 o 86.24064 2.599582 0.000000       0.000000      ?              ?             74.38744       4.483791      ?        ?        86.24064 2.599582 ?              ?        
1 1 1 8  2  21 o 397.8162 3.337872 1584.098       26.50318      1535.215       39.32616      1632.981       35.55011      391.6578 5.020474 403.9746 4.400043 -12.31677      6.675743 
1 1 1 8  2  22 o 380.2372 3.205554 1446.659       24.36366      1436.740       36.84658      1457.285       31.88741      378.8639 4.862773 381.6104 4.178006 -2.746582      6.411107 
1 1 1 8  2  23 o 428.6516 3.531387 1839.849       30.22964      1793.800       44.99377      1885.899       40.37467      423.2533 5.315230 434.0499 4.650924 -10.79663      7.062773 
1 1 1 8  2  24 o 313.2895 2.729321 982.6226       17.10203      983.3311       26.09228      981.2057       22.11786      313.4391 4.162257 313.1399 3.531627 0.2991943      5.458642 
1 1 1 8  2  25 o 81.70276 2.241043 66.92036       3.681115      72.19124       5.686034      61.63530       4.677907      84.92614 3.347635 78.47938 2.980341 6.446762       4.482086 
1 1 1 8  2  26 o 150.0912 2.061225 225.5002       6.184784      220.0451       8.834394      230.9553       8.657280      148.2727 2.979104 151.9098 2.849481 -3.637115      4.122450 
1 1 1 8  2  27 o 108.9249 2.265180 119.0199       4.920197      129.5050       6.959831      108.5348       6.956996      113.7378 3.059594 104.1119 3.341115 9.625931       4.530361 
1 1 1 8  2  28 o 288.1926 2.598533 831.7224       14.97667      831.7224       22.89008      832.4308       19.31948      288.0866 3.972777 288.2985 3.350603 -0.2119446     5.197067 
1 1 1 8  2  29 o 59.46021 2.735548 35.61387       3.175281      30.73264       5.022215      40.49511       3.886566      55.33689 4.537855 63.58354 3.056267 -8.246655      5.471097 
1 1 1 8  2  30 o 265.9167 2.795597 709.1602       14.83498      702.2883       24.30698      716.9532       17.02410      264.3786 4.597002 267.4548 3.182611 -3.076202      5.591194 
1 1 1 8  2  31 f 183.2884 2.025131 336.6563       7.431659      338.4983       11.44858      334.7435       9.464915      183.7661 3.114988 182.8107 2.588720 0.9553223      4.050262 
1 1 1 8  2  32 o 164.4434 2.127329 271.1953       6.959831      261.5604       11.04476      280.9012       8.473083      161.4460 3.420576 167.4408 2.530173 -5.994797      4.254658 
1 1 1 8  2  33 o 126.7223 1.918247 161.0311       4.874856      166.5570       7.523758      155.5052       6.202496      128.8725 2.919070 124.5720 2.489522 4.300507       3.836495 
1 1 1 8  2  34 o 163.5225 2.015045 268.2198       6.606313      276.0128       10.20879      260.4269       8.388069      165.8597 3.077538 161.1852 2.601997 4.674454       4.030090 
1 1 1 8  2  35 o 103.1730 2.141188 106.8345       4.415780      106.1261       6.736668      107.5430       5.710121      102.7990 3.276622 103.5470 2.757260 -0.7480316     4.282375 
1 1 1 8  2  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  2  37 o 52.93536 3.191736 28.43725       3.392776      31.62529       5.154695      25.24214       4.412238      55.90272 4.610415 49.96799 4.415064 5.934723       6.383472 
1 1 1 8  2  38 o 102.3733 2.169477 105.4885       4.441993      105.7010       6.701245      105.2759       5.833392      102.4310 3.271102 102.3157 2.850684 0.1153336      4.338953 
1 1 1 8  2  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  2  40 o 63.13389 2.698540 40.45260       3.411196      40.99102       5.314805      39.92126       4.276924      63.45649 4.187756 62.81128 3.404582 0.6452103      5.397080 
1 1 1 8  2  41 o 137.7500 2.017993 191.8487       5.572681      195.6744       8.806056      188.0939       6.825933      138.9339 3.169152 136.5661 2.499132 2.367859       4.035986 
1 1 1 8  2  42 o 79.47189 2.392406 64.54704       3.733541      57.12955       5.817806      71.97870       4.680741      74.64400 3.897035 84.29977 2.776248 -9.655769      4.784813 
1 1 1 8  2  43 o 72.34163 2.327565 53.54479       3.350977      52.19164       5.364397      54.90501       4.017630      71.17033 3.768703 73.51292 2.732601 -2.342590      4.655130 
1 1 1 8  2  44 o 39.32743 2.991199 16.24480       2.367646      17.09494       3.926948      15.38757       2.646776      40.04560 4.903096 38.60925 3.427644 1.436348       5.982399 
1 1 1 8  2  45 o 66.78064 2.813938 47.28916       3.773214      45.30549       4.308095      49.27282       6.195411      65.99566 3.263923 67.56563 4.584736 -1.569969      5.627877 
1 1 1 8  3  0  o 211.5262 2.594861 447.6707       10.97392      447.6707       10.97392      447.6707       10.97392      211.5262 2.594861 211.5262 2.594861 0.000000       0.000000 
1 1 1 8  3  1  o 250.9697 2.060212 630.1679       10.34340      649.3669       15.01209      610.8979       14.23988      254.8004 2.945854 247.1390 2.880946 7.661392       4.120425 
1 1 1 8  3  2  o 194.7396 1.808344 379.3051       7.061847      371.2287       8.458915      387.4523       11.31397      192.6614 2.195280 196.8178 2.874226 -4.156403      3.616687 
1 1 1 8  3  3  o 551.0458 4.197160 3039.967       46.16272      3098.060       57.78841      2981.165       71.97870      556.4042 5.193025 545.6873 6.595233 10.71686       8.394320 
1 1 1 8  3  4  o 656.6549 4.958554 4318.722       64.92252      4441.284       82.25125      4196.160       100.4585      666.0756 6.174318 647.2343 7.760595 18.84125       9.917109 
1 1 1 8  3  5  o 222.3879 2.051478 494.7119       9.117774      502.0798       12.10744      487.3440       13.63061      224.0477 2.701978 220.7282 3.087646 3.319489       4.102956 
1 1 1 8  3  6  o 358.8059 2.982190 1288.674       21.45192      1254.668       27.30373      1321.971       33.08470      354.1347 3.854993 363.4772 4.551138 -9.342529      5.964380 
1 1 1 8  3  7  o 279.6107 2.329813 782.1308       13.05677      770.0871       15.76305      794.1744       20.81431      277.4698 2.840499 281.7515 3.693736 -4.281738      4.659626 
1 1 1 8  3  8  o 429.6487 3.237237 1847.642       27.82090      1829.223       39.00027      1865.354       39.68038      427.5489 4.560914 431.7485 4.595312 -4.199646      6.474475 
1 1 1 8  3  9  o 484.7224 3.620512 2352.060       35.12504      2269.879       48.02595      2434.949       51.26357      476.2231 5.042380 493.2216 5.196809 -16.99857      7.241024 
1 1 1 8  3  10 o 188.2941 1.743095 354.7218       6.565931      366.5529       9.514507      342.8907       9.054014      191.4348 2.485052 185.1534 2.445003 6.281326       3.486190 
1 1 1 8  3  11 o 475.4086 3.554963 2262.087       33.80732      2237.999       47.33166      2286.174       48.27390      472.8792 5.004625 477.9381 5.050226 -5.058868      7.109927 
1 1 1 8  3  12 o 249.2243 2.077775 621.3122       10.35756      608.4184       14.38157      634.2769       14.91291      246.6316 2.915598 251.8171 2.961060 -5.185562      4.155549 
1 1 1 8  3  13 o 374.2194 2.876772 1400.609       21.52985      1403.443       30.52010      1398.484       30.37841      374.5503 4.074233 373.8884 4.062498 0.6618958      5.753543 
1 1 1 8  3  14 o 516.6974 3.845261 2671.572       39.74414      2713.370       57.08704      2629.773       55.30883      520.7372 5.481369 512.6577 5.394324 8.079529       7.690522 
1 1 1 8  3  15 o 424.0242 3.214050 1798.759       27.25414      1791.675       38.41225      1805.844       38.68147      423.1894 4.538424 424.8589 4.552272 -1.669464      6.428100 
1 1 1 8  3  16 o 386.1208 3.208214 1492.000       24.77456      1488.457       37.46293      1494.833       32.41875      385.6940 4.856561 386.5476 4.193372 -0.8535767     6.416429 
1 1 1 8  3  17 o 340.7567 3.303893 1161.861       22.61378      1190.907       37.56211      1132.814       25.20671      344.9893 5.443954 336.5241 3.745157 8.465118       6.607787 
1 1 1 8  3  18 o 645.9152 5.153451 4178.449       66.75033      4302.428       103.5757      4055.178       84.23491      655.3928 7.901800 636.4376 6.617689 18.95520       10.30690 
1 1 1 8  3  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  3  20 o 530.3416 4.584108 2816.096       48.62104      2794.134       68.65606      2837.350       68.86860      528.3054 6.497764 532.3778 6.468019 -4.072449      9.168217 
1 1 1 8  3  21 o 404.0150 3.387490 1633.690       27.41709      1663.445       42.31583      1603.935       34.87000      407.6672 5.189996 400.3627 4.354801 7.304474       6.774980 
1 1 1 8  3  22 o 464.5371 3.839217 2161.487       35.77682      2230.206       55.78349      2092.058       44.81666      471.9106 5.910388 457.1636 4.901599 14.74695       7.678435 
1 1 1 8  3  23 o 260.8676 2.766891 681.2472       14.54451      706.5390       24.54785      655.9555       15.60011      265.6748 4.619907 256.0605 3.046177 9.614349       5.533781 
1 1 1 8  3  24 o 193.0114 2.345461 0.000000       0.000000      ?              ?             372.6457       9.054014      ?        ?        193.0114 2.345461 ?              ?        
1 1 1 8  3  25 o 259.9933 2.649550 676.8548       13.71563      663.3234       23.18054      690.3863       14.66495      257.3236 4.504162 262.6630 2.791591 -5.339355      5.299099 
1 1 1 8  3  26 o 346.4566 3.268368 1202.951       22.62795      1199.409       38.36975      1206.493       23.99526      345.7796 5.548296 347.1336 3.456199 -1.354065      6.536735 
1 1 1 8  3  27 o 469.1905 4.249758 2211.078       40.00627      2246.501       68.40810      2175.655       41.50111      472.4942 7.239042 465.8868 4.453990 6.607330       8.499516 
1 1 1 8  3  28 o 170.6916 2.240734 291.7404       7.630026      287.5606       12.70254      295.9911       8.444746      169.4111 3.749029 171.9720 2.455267 -2.560989      4.481468 
1 1 1 8  3  29 o 199.7921 2.304129 399.9919       9.174451      394.6077       15.64262      405.3053       9.599521      198.3666 3.942855 201.2177 2.385358 -2.851074      4.608258 
1 1 1 8  3  30 o 67.82210 2.570522 46.22648       3.555720      50.13713       6.203204      42.30874       3.477790      70.65216 4.389961 64.99203 2.675551 5.660133       5.141044 
1 1 1 8  3  31 o 63.31763 2.641068 40.39592       3.236916      35.21714       5.445868      45.56762       3.501168      59.18808 4.600478 67.44717 2.595490 -8.259094      5.282136 
1 1 1 8  3  32 o 115.2220 1.960545 133.1181       4.485208      127.7339       7.332476      138.5023       5.163197      112.8416 3.249013 117.6024 2.195192 -4.760788      3.921091 
1 1 1 8  3  33 o 177.1365 2.103591 314.9068       7.410406      300.1710       11.39190      329.6426       9.493254      172.9283 3.293823 181.3446 2.617462 -8.416275      4.207182 
1 1 1 8  3  34 o 162.6384 2.242082 265.5277       7.332476      272.3289       12.62461      258.7266       7.467082      164.5846 3.835296 160.6923 2.323411 3.892334       4.484164 
1 1 1 8  3  35 o 117.4593 2.237551 138.6440       5.205703      129.2216       8.147196      148.1373       6.485168      113.3811 3.592835 121.5375 2.667971 -8.156303      4.475101 
1 1 1 8  3  36 o 135.0495 3.727188 0.000000       0.000000      ?              ?             183.8432       10.06710      ?        ?        135.0495 3.727188 ?              ?        
1 1 1 8  3  37 o 130.1410 2.285638 170.8786       6.003421      189.1566       9.486169      152.6005       7.360813      137.0649 3.460466 123.2171 2.986928 13.84781       4.571276 
1 1 1 8  3  38 o 51.96129 2.987329 27.34624       3.107978      27.93425       4.683574      26.75114       4.087767      52.48625 4.461716 51.43633 3.973619 1.049923       5.974659 
1 1 1 8  3  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  3  40 o 40.11908 3.639667 16.54943       2.903944      16.07477       4.637525      17.02410       3.496918      39.37379 5.889102 40.86437 4.278688 -1.490578      7.279334 
1 1 1 8  3  41 o 35.77422 4.115934 13.63770       2.777131      12.07910       4.609896      15.20337       3.097352      32.99802 7.185065 38.55041 4.017274 -5.552391      8.231869 
1 1 1 8  3  42 f 48.39588 3.079219 24.31407       2.982582      24.78164       5.086684      23.83940       3.115062      48.46522 5.247767 48.32653 3.222932 0.1386871      6.158437 
1 1 1 8  3  43 o 14.00937 4.697198 -4.863521      3.562095      -3.530215      4.422864      -6.197536      5.584725      13.68804 6.414865 14.33070 6.863249 -0.6426554     9.394396 
1 1 1 8  3  44 o 21.12705 5.491299 4.680741       3.111520      5.711539       4.065805      3.649944       4.711204      22.27428 7.601780 19.97983 7.926562 2.294455       10.98260 
1 1 1 8  3  45 o 16.34935 4.936289 0.5828432      3.154027      -1.350309      5.416822      2.516421       3.231249      16.02685 7.359960 16.67185 6.580180 -0.6449966     9.872578 
1 1 1 8  4  0  o 701.0856 7.257184 4920.198       101.7337      4920.198       101.7337      4920.198       101.7337      701.0856 7.257184 701.0856 7.257184 0.000000       0.000000 
1 1 1 8  4  1  o 258.7709 2.125040 669.8412       11.00226      657.5141       15.31673      682.1682       15.79139      256.3900 2.986999 261.1518 3.023413 -4.761810      4.250081 
1 1 1 8  4  2  o 586.1407 4.324541 3439.533       50.69681      3468.580       72.33293      3409.779       71.05771      588.6434 6.144036 583.6381 6.087481 5.005310       8.649081 
1 1 1 8  4  3  o 646.5269 4.747653 4185.533       61.40152      4120.355       85.51013      4250.711       88.13139      641.4987 6.664872 651.5551 6.763159 -10.05640      9.495306 
1 1 1 8  4  4  o 363.3494 2.796270 1321.263       20.31840      1341.808       29.15988      1300.009       28.31682      366.2229 3.981165 360.4759 3.927700 5.747040       5.592539 
1 1 1 8  4  5  o 566.0248 4.183775 3207.161       47.36000      3203.619       66.92036      3210.703       67.04079      565.7125 5.914697 566.3372 5.918805 -0.6247559     8.367551 
1 1 1 8  4  6  o 247.8677 2.069040 614.5111       10.25838      612.3857       14.47367      616.7073       14.53743      247.4320 2.924778 248.3034 2.927352 -0.8714600     4.138081 
1 1 1 8  4  7  o 209.6849 1.858280 440.0194       7.800055      419.2618       10.61969      460.7770       11.42733      204.7368 2.593498 214.6329 2.662063 -9.896057      3.716559 
1 1 1 8  4  8  o 705.6801 5.169680 4988.917       72.97054      5033.550       104.0716      4944.285       102.3004      708.8315 7.341065 702.5286 7.280875 6.302917       10.33936 
1 1 1 8  4  9  o 447.7401 3.369103 2006.335       30.16588      2018.379       42.91093      1994.292       42.42209      449.0829 4.777617 446.3972 4.751609 2.685760       6.738206 
1 1 1 8  4  10 o 307.1251 2.437666 943.6578       14.97667      937.9902       21.06936      949.3254       21.28189      306.2030 3.440423 308.0471 3.454324 -1.844116      4.875332 
1 1 1 8  4  11 o 767.4036 5.609072 5900.695       86.07689      5892.902       121.6412      5908.488       121.8537      766.8971 7.930736 767.9100 7.934114 -1.012878      11.21814 
1 1 1 8  4  12 o 207.3844 1.861779 430.1719       7.722124      434.1392       11.02351      426.2046       10.81806      208.3405 2.645551 206.4282 2.620296 1.912308       3.723559 
1 1 1 8  4  13 o 515.8956 3.845918 2663.779       39.68747      2625.522       55.35843      2701.327       56.88160      512.2269 5.403701 519.5643 5.473971 -7.337341      7.691836 
1 1 1 8  4  14 o 700.4486 5.540466 4912.405       77.64632      4918.072       101.8754      4906.737       117.1071      700.9136 7.267326 699.9835 8.364988 0.9301147      11.08093 
1 1 1 8  4  15 o 513.3790 4.698552 2638.274       48.34475      2609.937       55.09629      2666.613       79.41744      510.7085 5.394104 516.0495 7.694750 -5.340973      9.397103 
1 1 1 8  4  16 o 176.1364 2.226173 310.3727       7.870899      299.5334       9.719957      321.2829       12.38374      173.0543 2.808355 179.2185 3.454927 -6.164215      4.452345 
1 1 1 8  4  17 o 441.1830 3.600146 1947.534       31.74572      1965.954       42.12454      1929.114       47.50878      443.2850 4.751406 439.0811 5.410024 4.203949       7.200293 
1 1 1 8  4  18 o 725.4664 6.151528 5275.840       89.33577      5082.433       121.6412      5469.248       130.8510      712.1921 8.539913 738.7408 8.856357 -26.54865      12.30306 
1 1 1 8  4  19 o 678.2471 6.469552 4610.604       87.84802      4648.860       137.2271      4572.348       109.6683      680.8992 10.07690 675.5950 8.116426 5.304199       12.93910 
1 1 1 8  4  20 f 543.9416 5.006716 2962.745       54.52245      2976.914       89.54830      2948.576       62.17373      545.1153 8.213703 542.7679 5.727469 2.347412       10.01343 
1 1 1 8  4  21 o 401.7288 3.706787 1615.270       29.64162      1580.556       49.79708      1650.693       32.17080      397.2839 6.267190 406.1736 3.960227 -8.889679      7.413574 
1 1 1 8  4  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  4  23 o 358.9727 3.550423 0.000000       0.000000      ?              ?             1289.382       25.49010      ?        ?        358.9727 3.550423 ?              ?        
1 1 1 8  4  24 o 95.11505 2.211788 90.61098       4.154361      86.07689       7.119940      95.07423       4.286133      92.73782 3.838747 97.49229 2.198191 -4.754471      4.423576 
1 1 1 8  4  25 o 176.5856 1.960061 312.0730       6.898903      306.0512       11.21479      318.0949       8.040927      174.8606 3.206780 178.3105 2.254755 -3.449890      3.920122 
1 1 1 8  4  26 o 55.10512 2.786511 30.58386       2.963454      26.02852       4.911696      35.13921       3.316263      50.95620 4.819528 59.25404 2.798343 -8.297832      5.573022 
1 1 1 8  4  27 o 272.3531 2.401147 742.4575       13.08510      743.8744       21.03393      741.7490       15.55760      272.4918 3.859554 272.2144 2.857601 0.2773743      4.802295 
1 1 1 8  4  28 o 21.47001 5.007339 4.578724       2.595059      6.657322       4.399486      2.499418       2.755169      25.65653 7.845683 17.28347 6.224071 8.373060       10.01468 
1 1 1 8  4  29 o 251.7688 2.307314 635.1270       11.61152      634.9854       18.75272      635.3395       13.71563      251.6562 3.725861 251.8814 2.722636 -0.2252502     4.614627 
1 1 1 8  4  30 o 261.0481 2.369145 683.3726       12.32706      666.1572       19.60286      700.5172       14.94125      257.6681 3.803897 264.4281 2.825200 -6.760040      4.738290 
1 1 1 8  4  31 o 188.2618 2.255890 355.3594       8.487252      354.9343       14.51618      355.7845       8.806056      188.0343 3.859982 188.4893 2.335957 -0.4549866     4.511779 
1 1 1 8  4  32 o 206.8267 2.430514 429.3926       9.989170      414.3734       16.35815      444.4118       11.46275      203.0737 4.027638 210.5796 2.721714 -7.505844      4.861029 
1 1 1 8  4  33 o 137.0440 2.114759 188.4482       5.793010      188.4482       9.911241      188.3773       6.006254      136.9553 3.618422 137.1328 2.189941 -0.1774597     4.229518 
1 1 1 8  4  34 o 65.40135 2.700591 43.03136       3.559262      44.68914       6.041677      41.36650       3.764713      66.59048 4.536442 64.21221 2.931462 2.378273       5.401183 
1 1 1 8  4  35 o 122.8325 2.300949 151.8212       5.545760      139.3525       9.287803      164.2191       6.058680      117.6663 3.946671 127.9987 2.366696 -10.33239      4.601898 
1 1 1 8  4  36 o 188.7285 2.554429 358.8308       9.649114      361.7355       16.03935      355.9262       10.74013      189.2313 4.238027 188.2258 2.852991 1.005554       5.108858 
1 1 1 8  4  37 o 113.5810 2.292899 129.9301       5.136983      122.6330       8.678535      137.1563       5.501836      110.2384 3.936256 116.9235 2.352751 -6.685036      4.585798 
1 1 1 8  4  38 o 96.20056 2.310556 93.23225       4.464664      95.21592       7.736294      91.31944       4.457579      97.02668 3.986683 95.37444 2.336884 1.652245       4.621111 
1 1 1 8  4  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  4  40 o 51.66284 4.522688 28.67104       4.680032      19.33365       5.693118      38.01552       7.431659      42.93036 6.630645 60.39533 6.152511 -17.46498      9.045377 
1 1 1 8  4  41 o 43.14049 3.977857 19.66662       3.348852      15.72763       4.893985      23.60561       4.573764      38.50932 6.354287 47.77167 4.787110 -9.262352      7.955714 
1 1 1 8  4  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  4  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  4  44 o 36.79637 4.806918 15.66387       3.280132      11.60444       5.634317      19.71621       3.361604      30.14617 8.801096 43.44657 3.868664 -13.30040      9.613836 
1 1 1 8  4  45 o 50.27431 3.367176 27.44542       3.278006      26.08519       5.819223      28.80565       3.020130      47.71650 6.097705 52.83212 2.858233 -5.115620      6.734353 
1 1 1 8  5  0  o 248.4310 3.400658 617.6283       16.88949      617.6283       16.88949      617.6283       16.88949      248.4310 3.400658 248.4310 3.400658 0.000000       0.000000 
1 1 1 8  5  1  o 365.0853 2.903437 1333.306       21.14729      1305.677       32.96426      1361.644       26.50318      361.2339 4.562730 368.9366 3.591834 -7.702637      5.806873 
1 1 1 8  5  2  o 387.2092 3.064043 1500.501       23.75439      1511.836       37.79590      1488.457       28.77731      388.6906 4.861952 385.7278 3.730262 2.962891       6.128086 
1 1 1 8  5  3  o 568.5874 4.344511 3236.916       49.33658      3205.036       77.50462      3268.088       61.09688      565.7419 6.849822 571.4329 5.345936 -5.691040      8.689022 
1 1 1 8  5  4  o 425.9619 3.326245 1815.762       28.28139      1784.590       44.17905      1846.934       35.31632      422.2722 5.231111 429.6517 4.109878 -7.379517      6.652490 
1 1 1 8  5  5  o 587.2912 4.483935 3453.703       52.68048      3457.953       83.38477      3448.743       64.38409      587.5920 7.095466 586.9904 5.484255 0.6015625      8.967870 
1 1 1 8  5  6  o 147.3883 1.942181 217.4239       5.783801      226.8463       9.996255      207.9306       5.819223      150.5878 3.319077 144.1887 2.017920 6.399170       3.884363 
1 1 1 8  5  7  o 649.6248 4.936830 4226.624       64.10072      4212.455       101.1669      4241.501       78.77983      648.3780 7.801538 650.8716 6.051873 -2.493591      9.873660 
1 1 1 8  5  8  o 377.7156 2.904189 1427.530       21.94075      1428.947       31.05853      1426.114       30.99477      377.9029 4.109326 377.5282 4.104960 0.3746643      5.808379 
1 1 1 8  5  9  o 264.7313 2.364605 701.0839       12.53251      707.6016       19.07152      694.6370       16.25188      265.9473 3.585584 263.5153 3.083670 2.431976       4.729210 
1 1 1 8  5  10 f 237.1208 2.208575 562.5107       10.49217      550.3962       13.38974      574.6252       16.15978      234.5735 2.854060 239.6682 3.371283 -5.094650      4.417150 
1 1 1 8  5  11 o 285.9767 2.499285 818.2618       14.32489      797.0083       18.37016      839.5154       21.98326      282.2700 3.254004 289.6834 3.794360 -7.413391      4.998571 
1 1 1 8  5  12 o 529.1239 4.252347 2802.635       45.02211      2783.507       58.66689      2821.055       68.30892      527.3860 5.562046 530.8619 6.433776 -3.475891      8.504694 
1 1 1 8  5  13 o 173.4603 2.023212 301.3754       7.046970      323.3374       10.74721      279.3425       9.117774      179.7986 2.988682 167.1221 2.727879 12.67651       4.046423 
1 1 1 8  5  14 o 613.7449 5.223768 3771.089       64.14323      3738.500       90.04422      3803.677       91.31944      611.0948 7.367452 616.3950 7.407542 -5.300171      10.44754 
1 1 1 8  5  15 o 633.3876 5.395844 4017.630       68.36559      3960.246       95.49931      4075.015       97.83719      628.8683 7.592950 637.9068 7.668612 -9.038513      10.79169 
1 1 1 8  5  16 o 967.2842 8.128311 9386.986       157.2763      9443.662       223.7999      9323.226       220.9661      970.3792 11.53157 964.1892 11.45865 6.189941       16.25662 
1 1 1 8  5  17 o 453.1921 4.215063 2055.219       38.12888      2030.423       61.88326      2080.723       44.55453      450.3592 6.870434 456.0251 4.885097 -5.665833      8.430126 
1 1 1 8  5  18 o 306.7035 2.880572 941.5324       17.69004      901.8591       23.93150      981.2057       26.05686      300.2420 3.985369 313.1651 4.160243 -12.92310      5.761145 
1 1 1 8  5  19 o 328.0197 2.859635 1076.847       18.78106      1093.141       28.67104      1059.844       24.27156      330.5459 4.336923 325.4936 3.728424 5.052368       5.719270 
1 1 1 8  5  20 o 539.6539 4.372390 2915.279       47.14746      2874.897       70.44845      2956.369       62.68381      535.8449 6.573586 543.4629 5.767074 -7.617981      8.744780 
1 1 1 8  5  21 o 305.5647 3.072612 934.4479       18.71730      916.0281       30.18005      952.8677       22.15329      302.5184 4.988133 308.6110 3.589193 -6.092560      6.145225 
1 1 1 8  5  22 o 198.6519 2.064523 394.8202       8.189702      391.2071       13.24805      398.3624       9.634944      197.7397 3.349871 199.5641 2.413998 -1.824356      4.129046 
1 1 1 8  5  23 o 316.8973 2.669280 1004.585       16.90366      998.2086       26.89283      1011.669       20.48134      315.8066 4.257801 317.9881 3.220457 -2.181519      5.338559 
1 1 1 8  5  24 o 87.31531 2.151129 76.37110       3.788092      81.47195       6.106146      71.27025       4.485208      90.22826 3.383721 84.40236 2.657040 5.825905       4.302258 
1 1 1 8  5  25 f 305.4876 2.611183 934.4479       15.96142      936.5732       25.61762      932.3226       19.03610      305.7779 4.188926 305.1974 3.118654 0.5804749      5.222365 
1 1 1 8  5  26 o 127.1920 1.977791 162.0229       5.056221      168.8241       8.005506      155.1509       6.174158      129.8657 3.082224 124.5183 2.479217 5.347427       3.955582 
1 1 1 8  5  27 o 107.5588 2.166024 115.9736       4.718997      124.1916       7.913406      107.7555       5.142652      111.3525 3.553314 103.7651 2.478026 7.587379       4.332049 
1 1 1 8  5  28 o 209.4792 2.436386 439.5943       10.20879      440.7987       16.85407      438.3900       11.53359      209.6993 4.018627 209.2590 2.755818 0.4403229      4.872771 
1 1 1 8  5  29 o 137.4501 2.070053 189.2983       5.645652      183.1348       9.642029      195.4619       5.873774      135.1545 3.567040 139.7456 2.101595 -4.591141      4.140105 
1 1 1 8  5  30 o 136.0709 2.067821 185.6852       5.545760      174.5625       9.394071      196.8079       5.900695      131.9263 3.560348 140.2155 2.104152 -8.289215      4.135642 
1 1 1 8  5  31 o 145.4663 2.162914 212.1105       6.290343      211.9688       10.58427      212.3230       6.799720      145.3281 3.641508 145.6045 2.334996 -0.2764130     4.325828 
1 1 1 8  5  32 o 61.54761 2.645163 38.03678       3.255336      38.07220       5.568431      38.00135       3.373647      61.51782 4.525868 61.57739 2.739356 -0.5956650E-01 5.290327 
1 1 1 8  5  33 o 75.05350 2.278656 56.55571       3.394193      54.50119       5.642110      58.61022       3.774631      73.63261 3.831258 76.47437 2.467906 -2.841759      4.557312 
1 1 1 8  5  34 f 147.6249 2.075543 218.9825       6.058680      203.1131       9.599521      234.7809       7.396237      142.1997 3.375367 153.0501 2.416280 -10.85042      4.151085 
1 1 1 8  5  35 o 208.6169 2.274077 437.4690       9.394071      415.2236       15.37340      459.7144       10.80389      203.1263 3.784198 214.1075 2.523006 -10.98116      4.548155 
1 1 1 8  5  36 o 148.5056 2.203063 221.7454       6.521298      216.9279       10.47092      226.5629       7.771716      146.7689 3.567144 150.2422 2.586395 -3.473312      4.406127 
1 1 1 8  5  37 o 80.79539 4.400270 67.04787       6.619065      57.69631       12.66712      76.37110       3.840517      74.32907 8.520972 87.26171 2.200574 -12.93264      8.800540 
1 1 1 8  5  38 o 68.25507 4.628457 48.37309       6.580100      55.38676       12.14995      41.35233       5.053387      72.57136 8.371036 63.93878 3.951738 8.632576       9.256914 
1 1 1 8  5  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  5  40 o 70.38124 4.460526 51.91535       6.389527      56.08813       11.82406      47.74257       4.842268      72.15641 8.193355 68.60606 3.529038 3.550346       8.921052 
1 1 1 8  5  41 o 85.13979 4.060769 76.08772       6.790511      74.88335       12.48292      77.36294       5.341018      82.95683 7.523746 87.32275 3.058206 -4.365921      8.121537 
1 1 1 8  5  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  5  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  5  44 o 26.82971 7.306571 9.379901       5.547885      9.479085       8.288886      9.273635       7.374983      26.94414 10.56810 26.71528 10.09253 0.2288570      14.61314 
1 1 1 8  5  45 o 24.25304 6.903800 7.311223       5.424615      13.09219       8.062181      1.532381       7.261631      28.91036 10.62361 19.59572 8.819798 9.314648       13.80760 
1 1 1 8  6  0  o 26.22267 6.333327 7.970083       2.877023      7.970083       2.877023      7.970083       2.877023      26.22267 6.333327 26.22267 6.333327 0.000000       0.000000 
1 1 1 8  6  1  o 47.79267 2.369701 22.91133       2.255710      25.29881       3.185908      20.52385       3.193701      50.29044 3.167508 45.29490 3.525452 4.995537       4.739401 
1 1 1 8  6  2  o 384.3874 2.956511 1478.539       22.74130      1515.378       32.90050      1441.699       31.39150      389.1747 4.226958 379.6001 4.134811 9.574554       5.913023 
1 1 1 8  6  3  o 247.9645 2.103516 615.0778       10.43549      604.0968       14.53743      626.0588       14.96959      245.7512 2.957754 250.1777 2.991790 -4.426529      4.207032 
1 1 1 8  6  4  o 338.4991 2.524333 1146.275       17.08786      1141.316       25.39091      1151.234       22.86882      337.7596 3.758725 339.2386 3.370610 -1.479004      5.048666 
1 1 1 8  6  5  o 330.8145 2.699216 1094.558       17.87424      1103.768       28.46559      1086.057       21.63612      332.1323 4.285279 329.4968 3.283206 2.635498       5.398431 
1 1 1 8  6  6  f 476.2143 3.699056 2269.879       35.21006      2260.670       55.57804      2279.089       43.25098      475.1939 5.847933 477.2346 4.531417 -2.040680      7.398112 
1 1 1 8  6  7  o 100.0729 1.722696 100.1751       3.456536      102.0171       5.550720      98.33311       4.121064      100.9902 2.748147 99.15561 2.078079 1.834625       3.445392 
1 1 1 8  6  8  o 334.2910 2.848916 1118.645       19.08569      1143.441       29.50702      1093.141       24.21488      338.0338 4.364507 330.5482 3.662838 7.485657       5.697833 
1 1 1 8  6  9  o 500.7481 4.589266 2510.753       45.92184      2495.876       74.81251      2526.339       53.24015      499.1096 7.494597 502.3866 5.298724 -3.276947      9.178533 
1 1 1 8  6  10 o 339.4998 3.284296 1153.359       22.29498      1152.651       36.60571      1154.068       25.46884      339.3567 5.393397 339.6430 3.749355 -0.2863159     6.568592 
1 1 1 8  6  11 o 322.1315 3.150442 1038.590       20.30423      1042.133       33.42476      1034.340       23.08136      322.7062 5.178821 321.5567 3.589004 1.149567       6.300883 
1 1 1 8  6  12 o 349.6866 3.391372 1224.913       24.00235      1297.884       40.71472      1151.234       25.43342      360.1295 5.652789 339.2437 3.748547 20.88580       6.782744 
1 1 1 8  6  13 o 70.29486 2.426689 49.43577       3.424656      50.57637       5.626524      48.28807       3.906403      71.10571 3.956450 69.48402 2.811009 1.621696       4.853377 
1 1 1 8  6  14 o 82.93118 2.233738 69.05280       3.773214      77.29209       6.284676      60.78516       4.177740      87.90364 3.574753 77.95872 2.679457 9.944923       4.467476 
1 1 1 8  6  15 o 211.9586 3.128493 0.000000       0.000000      ?              ?             449.3710       13.26222      ?        ?        211.9586 3.128493 ?              ?        
1 1 1 8  6  16 o 271.1461 2.367875 735.3730       12.84423      736.0814       20.45300      734.6645       15.53635      271.2682 3.769885 271.0239 2.866232 0.2443542      4.735749 
1 1 1 8  6  17 o 425.8494 3.379161 1815.053       28.71355      1781.756       45.00794      1847.642       35.67764      421.9528 5.333292 429.7460 4.151014 -7.793213      6.758322 
1 1 1 8  6  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  6  19 o 202.2202 1.997814 409.1309       8.076350      395.3161       11.36357      422.9457       11.48400      198.8046 2.857973 205.6357 2.792317 -6.831116      3.995628 
1 1 1 8  6  20 o 292.2194 2.649489 854.3929       15.46550      837.3900       22.95384      871.3957       20.73638      289.3034 3.967088 295.1353 3.513030 -5.831940      5.298977 
1 1 1 8  6  21 o 294.3193 2.624504 866.4365       15.43716      850.1422       22.80506      883.4393       20.80014      291.4836 3.911895 297.1550 3.499882 -5.671356      5.249009 
1 1 1 8  6  22 o 259.4698 2.241530 673.5959       11.63278      673.0292       16.50693      674.0919       16.39357      259.3670 3.182156 259.5726 3.157801 -0.2055969     4.483060 
1 1 1 8  6  23 o 112.4246 2.124830 126.4586       4.758671      124.4041       8.140111      128.5132       4.932950      111.4991 3.650304 113.3501 2.175980 -1.850998      4.249660 
1 1 1 8  6  24 o 396.3783 3.552389 1574.180       28.08303      1558.594       48.50770      1589.766       28.32390      394.2278 6.152243 398.5288 3.553557 -4.301086      7.104777 
1 1 1 8  6  25 o 139.3895 2.337712 0.000000       0.000000      ?              ?             194.3992       6.517048      ?        ?        139.3895 2.337712 ?              ?        
1 1 1 8  6  26 o 256.6152 2.579207 659.7103       13.36140      682.7350       23.63395      636.6856       12.46875      260.9908 4.527736 252.2395 2.471609 8.751297       5.158415 
1 1 1 8  6  27 o 273.0540 2.745685 747.4167       14.96959      741.7490       25.54677      752.3758       15.60011      271.9584 4.696815 274.1495 2.845182 -2.191101      5.491370 
1 1 1 8  6  28 o 169.5634 2.520788 288.1982       8.423491      275.5169       15.11836      300.9503       7.445828      165.7115 4.561651 173.4153 2.146820 -7.703796      5.041577 
1 1 1 8  6  29 o 101.0991 2.987169 103.1506       5.688159      87.77718       10.52051      118.5240       4.329349      93.37515 5.633463 108.8230 1.989170 -15.44781      5.974337 
1 1 1 8  6  30 o 198.1591 2.646111 394.0409       10.36465      380.0135       18.48351      408.1390       9.394071      194.4225 4.753439 201.8958 2.326465 -7.473343      5.292223 
1 1 1 8  6  31 f 225.3645 2.802632 510.6521       12.81589      538.7776       22.84757      482.4557       11.63278      231.3027 4.938890 219.4263 2.650726 11.87645       5.605263 
1 1 1 8  6  32 o 135.1208 2.693300 183.5599       7.105771      172.0121       13.05677      195.0368       5.620856      130.6700 4.996083 139.5716 2.013611 -8.901550      5.386601 
1 1 1 8  6  33 o 89.62914 3.322249 80.90520       5.903528      79.70082       11.17229      82.18040       3.827765      88.67416 6.299629 90.58412 2.112823 -1.909966      6.644497 
1 1 1 8  6  34 o 47.28042 6.137357 23.40725       5.681783      22.89716       10.92433      23.92442       3.131357      45.74726 11.84824 48.81359 3.207464 -3.066330      12.27471 
1 1 1 8  6  35 o 95.95863 4.563292 93.94070       8.579351      90.96520       16.36524      96.91621       5.175241      93.63819 8.738547 98.27908 2.632931 -4.640892      9.126584 
1 1 1 8  6  36 o 55.62673 6.641979 32.92884       6.999504      31.14354       13.12761      34.71414       4.864938      52.60844 12.61980 58.64502 4.147785 -6.036572      13.28396 
1 1 1 8  6  37 o 97.63855 3.747312 97.05790       7.254546      95.99522       13.37557      98.04973       5.639985      96.51302 6.929412 98.76408 2.855282 -2.251053      7.494624 
1 1 1 8  6  38 o 38.89890 6.848632 16.31564       5.975791      17.59086       11.23604      15.03335       4.084224      39.43935 12.62033 38.35846 5.323760 1.080891       13.69726 
1 1 1 8  6  39 o 25.00309 7.156769 5.470665       6.090560      8.019674       11.61152      2.925197       3.685366      31.04946 12.40437 18.95672 7.142066 12.09274       14.31354 
1 1 1 8  6  40 o 51.79200 6.356820 29.67705       6.032466      25.14295       11.36357      34.21822       4.055887      45.49599 12.22491 58.08800 3.491157 -12.59201      12.71364 
1 1 1 8  6  41 o 116.0841 3.327135 139.2816       7.559181      134.5350       13.94233      144.0991       5.856771      112.6837 6.186487 119.4844 2.450851 -6.800682      6.654269 
1 1 1 8  6  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  6  43 o 39.21590 6.648130 19.55327       5.724998      11.49817       8.898154      27.60837       7.204955      29.35195 11.08668 49.07984 7.340035 -19.72789      13.29626 
1 1 1 8  6  44 o 66.47145 4.619401 50.15130       6.106854      49.18781       9.450747      51.11480       7.736294      64.86395 7.285053 68.07896 5.681853 -3.215004      9.238802 
1 1 1 8  6  45 f 53.05078 5.266768 34.56536       5.536551      33.84983       8.600604      35.28090       6.972582      51.13185 8.410223 54.96971 6.342204 -3.837864      10.53354 
1 1 1 8  7  0  o 371.1865 4.075039 1378.647       30.24380      1378.647       30.24380      1378.647       30.24380      371.1865 4.075039 371.1865 4.075039 0.000000       0.000000 
1 1 1 8  7  1  o 410.6603 3.147802 1687.532       25.85849      1665.570       36.10979      1709.494       37.01661      407.9894 4.425333 413.3311 4.477839 -5.341675      6.295603 
1 1 1 8  7  2  o 214.0316 2.100322 458.2266       8.997337      460.9896       13.68020      455.4636       11.68237      214.6723 3.186299 213.3907 2.737319 1.281601       4.200644 
1 1 1 8  7  3  o 348.2254 2.735792 1213.578       19.05735      1200.826       26.70863      1225.622       27.18330      346.4467 3.854652 350.0041 3.883282 -3.557343      5.471583 
1 1 1 8  7  4  o 353.9587 2.989544 1253.251       21.16146      1251.834       27.74297      1255.377       31.97243      353.7231 3.921566 354.1942 4.513404 -0.4710388     5.979088 
1 1 1 8  7  5  o 224.4188 2.296326 503.8510       10.30797      511.9272       14.84915      495.7745       14.30364      226.2167 3.282063 222.6209 3.212555 3.595764       4.592652 
1 1 1 8  7  6  o 248.5888 2.450516 618.2658       12.17829      614.2985       17.25080      622.1623       17.20829      247.7979 3.480821 249.3798 3.450218 -1.581955      4.901033 
1 1 1 8  7  7  o 354.4573 3.401868 1257.502       24.05194      1238.374       39.09237      1276.630       28.04052      351.7127 5.557430 357.2020 3.925023 -5.489349      6.803737 
1 1 1 8  7  8  o 567.0989 5.182920 3222.039       58.89360      3258.878       97.05790      3185.199       66.74324      570.1598 8.511465 564.0381 5.916554 6.121704       10.36584 
1 1 1 8  7  9  o 164.8109 2.454621 271.8329       8.097604      280.4761       12.03660      263.1190       10.84640      167.4406 3.594288 162.1813 3.343911 5.259354       4.909241 
1 1 1 8  7  10 o 246.6599 2.546765 608.7018       12.62461      622.1623       21.65029      595.2411       13.00009      249.3677 4.341037 243.9520 2.664477 5.415695       5.093529 
1 1 1 8  7  11 o 270.4753 2.704292 731.8307       14.65078      736.0814       24.92334      727.5800       15.39466      271.2398 4.594336 269.7107 2.853921 1.529175       5.408584 
1 1 1 8  7  12 o 536.7693 4.696045 2885.524       49.99545      2762.254       82.39294      3008.086       56.65489      525.2321 7.843479 548.3065 5.166352 -23.07440      9.392090 
1 1 1 8  7  13 o 444.3348 3.505076 1975.164       31.22855      2013.420       50.13713      1937.616       37.25039      448.5673 5.588585 440.1024 4.232015 8.464874       7.010152 
1 1 1 8  7  14 o 663.8877 5.290366 4413.655       70.16506      4351.311       104.9217      4475.999       93.23225      659.1395 7.958991 668.6358 6.971827 -9.496277      10.58073 
1 1 1 8  7  15 o 413.5328 3.292027 1710.911       27.21163      1705.244       43.05262      1716.579       33.30432      412.8229 5.214417 414.2428 4.019903 -1.419891      6.584054 
1 1 1 8  7  16 o 621.2566 4.754085 3863.896       59.01403      3834.141       92.87803      3892.942       72.82884      618.8158 7.504498 623.6974 5.838476 -4.881592      9.508169 
1 1 1 8  7  17 o 389.8624 3.298392 1521.046       25.76639      1554.343       39.72289      1487.749       32.82966      394.1101 5.039568 385.6147 4.256796 8.495422       6.596784 
1 1 1 8  7  18 o 102.8289 2.156374 105.7719       4.422156      103.9299       7.127024      107.6138       5.239001      101.9295 3.496056 103.7283 2.525347 -1.798820      4.312747 
1 1 1 8  7  19 o 154.3741 2.478606 238.5357       7.693786      250.1543       12.27038      226.9171       9.294888      158.1302 3.879837 150.6181 3.085582 7.512070       4.957212 
1 1 1 8  7  20 o 382.8765 3.547718 1467.204       27.00618      1425.405       44.94418      1509.711       29.96043      377.3063 5.955928 388.4467 3.856440 -11.14044      7.095436 
1 1 1 8  7  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  7  22 o 474.5612 4.273471 2255.711       40.66513      2284.757       69.15906      2227.372       42.80466      477.4009 7.243289 471.7215 4.537069 5.679443       8.546943 
1 1 1 8  7  23 o 302.9976 3.008238 919.5704       18.09386      873.5211       28.74897      965.6198       21.97617      295.3591 4.866783 310.6360 3.537287 -15.27686      6.016475 
1 1 1 8  7  24 o 227.9895 2.774046 521.2788       12.44041      479.6927       20.55927      562.9358       13.99901      218.8071 4.698037 237.1720 2.951235 -18.36499      5.548093 
1 1 1 8  7  25 o 246.0912 2.799108 606.7889       13.62353      581.9223       23.68354      631.7264       13.46767      240.9331 4.914964 251.2493 2.680140 -10.31628      5.598216 
1 1 1 8  7  26 o 21.05210 5.742754 0.5366523      4.484500      -3.018713      8.572267      4.092017       2.641817      21.98922 9.753277 20.11499 6.065517 1.874237       11.48551 
1 1 1 8  7  27 o 86.31667 3.247621 75.23758       5.243251      62.98845       9.755382      87.42295       3.840517      79.16006 6.161807 93.47328 2.054340 -14.31322      6.495243 
1 1 1 8  7  28 o 154.5197 2.539741 239.3150       7.800055      235.5602       14.21863      243.0698       6.436285      153.1907 4.640826 155.8487 2.064914 -2.658005      5.079482 
1 1 1 8  7  29 o 197.5371 2.595176 391.3488       10.24421      391.4904       18.66062      391.2779       8.473083      197.3682 4.727361 197.7059 2.142850 -0.3376617     5.190352 
1 1 1 8  7  30 o 219.5940 2.699169 484.0143       11.95867      497.5457       21.83448      470.4828       9.741212      222.4135 4.908534 216.7745 2.246854 5.638962       5.398338 
1 1 1 8  7  31 o 105.8966 3.015808 113.2106       6.042386      98.26226       11.29981      128.1589       4.279757      98.64616 5.727444 113.1470 1.891238 -14.50085      6.031616 
1 1 1 8  7  32 o 42.43010 5.908758 18.65354       4.999545      17.37124       9.620775      19.93583       2.714787      40.27653 11.41859 44.58366 3.044599 -4.307133      11.81752 
1 1 1 8  7  33 o 63.84314 4.435813 41.29565       5.601020      40.72181       10.78972      41.87658       3.020130      63.03406 8.558644 64.65223 2.335673 -1.618172      8.871627 
1 1 1 8  7  34 o 143.9439 2.952880 208.7099       8.345562      199.9959       15.65678      217.3530       5.791594      140.5701 5.569031 147.3177 1.965681 -6.747620      5.905761 
1 1 1 8  7  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  7  36 f 132.1832 3.433946 177.0421       8.926493      169.8159       16.29439      184.1975       7.282885      128.9142 6.319861 135.4521 2.688361 -6.537994      6.867891 
1 1 1 8  7  37 o 46.81167 6.617548 23.56311       6.242169      24.05902       11.73905      23.06719       4.243626      45.90788 12.46570 47.71546 4.446805 -1.807583      13.23510 
1 1 1 8  7  38 o 48.44921 6.452343 25.51135       6.231542      26.92825       11.76738      24.10153       4.104770      48.15690 12.19838 48.74152 4.210753 -0.5846176     12.90469 
1 1 1 8  7  39 o 129.8481 3.203501 171.8704       8.310139      173.7124       15.27422      170.0993       6.558846      129.6687 5.889710 130.0276 2.522098 -0.3588867     6.407001 
1 1 1 8  7  40 o 105.8455 3.579140 115.4068       7.459997      113.1397       13.91399      117.6030       5.372899      103.6405 6.712625 108.0505 2.486290 -4.410027      7.158279 
1 1 1 8  7  41 o 66.20836 5.447282 47.62921       7.197870      48.35183       11.84531      46.90659       8.168448      65.73634 9.009714 66.68037 6.125078 -0.9440231     10.89456 
1 1 1 8  7  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  7  43 o 82.68253 4.015537 74.03321       6.647403      75.87518       10.17337      72.19124       8.558097      83.20981 6.113082 82.15526 5.208490 1.054550       8.031074 
1 1 1 8  7  44 o 29.95470 7.029469 12.90799       5.290718      20.56635       8.543928      5.242543       6.239335      37.63178 10.79015 22.27762 9.012565 15.35416       14.05894 
1 1 1 8  7  45 o 17.94553 5.740687 -0.4793385     4.675782      -4.179866      7.289969      3.221330       5.860313      16.47309 7.877772 19.41796 8.352405 -2.944868      11.48137 
1 1 1 8  8  0  o 289.3834 3.908833 838.0985       22.61378      838.0985       22.61378      838.0985       22.61378      289.3834 3.908833 289.3834 3.908833 0.000000       0.000000 
1 1 1 8  8  1  o 431.0303 3.804210 1859.686       32.79423      1871.730       46.70823      1847.642       46.04937      432.4244 5.400739 429.6362 5.359112 2.788239       7.608421 
1 1 1 8  8  2  o 272.9915 2.640131 745.9998       14.41699      733.2476       20.17671      758.0435       20.59469      270.7220 3.726462 275.2609 3.740941 -4.538849      5.280261 
1 1 1 8  8  3  o 304.3213 2.854366 926.6550       17.37124      935.8648       24.90208      917.4451       24.23614      305.8322 4.071200 302.8104 4.001867 3.021790       5.708731 
1 1 1 8  8  4  o 334.1496 3.071431 1117.937       20.53802      1153.359       29.95334      1081.806       28.11137      339.4960 4.411443 328.8032 4.274802 10.69284       6.142862 
1 1 1 8  8  5  o 367.9467 3.325086 1355.268       24.46993      1360.227       34.87000      1349.601       34.33866      368.6665 4.729207 367.2268 4.675402 1.439636       6.650171 
1 1 1 8  8  6  o 107.4118 1.982759 115.4776       4.262754      119.5867       6.216664      111.2978       5.832684      109.3401 2.842810 105.4836 2.764736 3.856560       3.965518 
1 1 1 8  8  7  o 234.7403 2.079089 551.2463       9.762465      544.4452       13.68729      557.9766       13.92108      233.2998 2.933413 236.1808 2.947122 -2.881073      4.158177 
1 1 1 8  8  8  f 558.5266 4.165714 3122.855       46.53112      3109.395       65.54595      3136.316       66.07021      557.3240 5.880418 559.7292 5.901980 -2.405273      8.331428 
1 1 1 8  8  9  o 225.2887 2.215505 507.6765       9.975000      514.9736       13.15595      500.4503       14.99084      226.9042 2.899009 223.6732 3.351059 3.231079       4.431010 
1 1 1 8  8  10 o 352.2824 2.887936 1241.208       20.37507      1253.960       32.54628      1229.164       24.51952      354.0224 4.596641 350.5424 3.497368 3.479980       5.775871 
1 1 1 8  8  11 o 423.2977 3.362048 1792.383       28.42308      1771.838       44.68206      1813.637       35.13921      420.8050 5.309116 425.7905 4.126350 -4.985443      6.724097 
1 1 1 8  8  12 o 195.7250 2.089410 383.2016       8.168448      378.2424       12.38374      388.0899       10.66220      194.4646 3.184060 196.9854 2.706343 -2.520767      4.178819 
1 1 1 8  8  13 o 483.2859 3.769409 2337.891       36.29399      2256.419       56.06687      2419.363       46.10604      474.8265 5.903933 491.7453 4.688001 -16.91879      7.538817 
1 1 1 8  8  14 o 246.2646 2.742212 606.6473       13.51726      610.4020       22.46501      602.9633       15.05460      247.0032 4.547513 245.5260 3.065785 1.477188       5.484425 
1 1 1 8  8  15 o 436.4379 3.466792 1905.735       30.25797      1902.902       47.96927      1908.569       36.88200      436.0851 5.499990 436.7906 4.221932 -0.7054443     6.933584 
1 1 1 8  8  16 o 419.6347 5.070750 1763.336       42.60629      1771.130       78.07139      1755.544       34.15446      420.3693 9.286048 418.9001 4.076684 1.469177       10.14150 
1 1 1 8  8  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  8  18 o 801.1470 7.207891 6435.576       115.5485      6457.538       189.0858      6413.614       132.8347      802.1536 11.78613 800.1403 8.300714 2.013245       14.41578 
1 1 1 8  8  19 o 457.0866 4.294567 2091.350       39.22697      2082.848       63.91652      2100.560       45.50386      456.0315 7.007905 458.1416 4.966135 -2.110107      8.589134 
1 1 1 8  8  20 o 374.6886 4.169158 0.000000       0.000000      ?              ?             1404.860       31.24272      ?        ?        374.6886 4.169158 ?              ?        
1 1 1 8  8  21 o 25.78548 5.183782 6.439118       3.012337      3.387108       4.624065      9.493254       3.863188      21.38204 8.011086 30.18892 6.580946 -8.806879      10.36756 
1 1 1 8  8  22 o 231.3801 2.921008 0.000000       0.000000      ?              ?             535.5895       13.51726      ?        ?        231.3801 2.921008 ?              ?        
1 1 1 8  8  23 o 238.6046 2.860259 570.9413       13.41099      523.6876       22.12495      618.1242       15.17504      228.6649 4.837855 248.5443 3.052784 -19.87938      5.720519 
1 1 1 8  8  24 o 22.72050 5.074201 5.161071       2.608519      6.243586       4.158612      4.079265       3.149777      24.90452 7.630368 20.53649 6.690855 4.368025       10.14840 
1 1 1 8  8  25 o 71.49190 2.216680 51.19273       3.149068      48.93985       5.008754      53.43852       3.817138      69.90888 3.582345 73.07491 2.611798 -3.166023      4.433361 
1 1 1 8  8  26 o 82.52897 2.419050 0.000000       0.000000      ?              ?             68.16015       3.992834      ?        ?        82.52897 2.419050 ?              ?        
1 1 1 8  8  27 o 244.8950 2.786111 601.1213       13.69437      608.9143       24.68246      593.3284       11.87365      246.3121 5.010404 243.4780 2.438342 2.834137       5.572222 
1 1 1 8  8  28 o 134.4075 2.609637 182.0013       7.360813      206.2303       13.92108      157.7014       4.790551      143.2800 4.857999 125.5349 1.908055 17.74503       5.219275 
1 1 1 8  8  29 f 140.5223 2.659641 198.1540       7.488335      199.7126       13.98484      196.5245       5.370772      140.9172 4.962078 140.1274 1.916389 0.7897339      5.319283 
1 1 1 8  8  30 o 74.23446 3.487843 55.55679       5.339601      60.09089       10.22296      51.02269       3.090975      77.08192 6.631230 71.38699 2.164943 5.694931       6.975686 
1 1 1 8  8  31 o 84.41116 3.397950 71.76617       5.603854      68.10347       10.64803      75.45012       3.490542      82.01247 6.491714 86.80986 2.010452 -4.797386      6.795901 
1 1 1 8  8  32 o 32.82519 6.253723 10.86057       5.048427      12.29872       9.769550      9.415324       2.565304      35.06102 11.78363 30.58936 4.193131 4.471663       12.50745 
1 1 1 8  8  33 o 193.7348 2.757447 377.3923       10.68345      379.0925       19.72330      375.7628       8.232210      193.7841 5.088988 193.6855 2.125148 0.9854126E-01  5.514894 
1 1 1 8  8  34 o 151.8086 3.060645 232.2305       9.344479      236.9771       17.47042      227.4839       6.635359      152.9386 5.711580 150.6786 2.201826 2.260025       6.121290 
1 1 1 8  8  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  8  36 o 227.1092 3.133954 521.5622       14.26822      529.1426       25.05086      513.9818       13.66603      228.0909 5.491418 226.1275 3.021754 1.963379       6.267908 
1 1 1 8  8  37 o 98.95996 3.774928 99.89171       7.346645      96.84536       13.63061      102.8672       5.498294      96.75578 7.043823 101.1642 2.717511 -4.408379      7.549855 
1 1 1 8  8  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  8  39 o 25.79816 6.837217 4.954912       5.854646      3.953161       11.17229      5.956663       3.516046      27.99079 11.76350 23.60553 6.972107 4.385262       13.67443 
1 1 1 8  8  40 o 76.89087 4.985601 63.11597       7.743378      68.30892       12.74505      57.92301       8.798972      79.36125 8.029767 74.42049 5.911660 4.940765       9.971203 
1 1 1 8  8  41 o 56.74541 6.663588 36.78282       7.346645      37.94468       12.05077      35.61387       8.395153      56.05723 11.14443 57.43359 7.308575 -1.376354      13.32718 
1 1 1 8  8  42 o 90.47120 4.227989 88.62732       7.665448      91.46112       11.83114      85.86436       9.741212      91.29577 6.479569 89.64663 5.433116 1.649139       8.455978 
1 1 1 8  8  43 o 71.65541 4.716342 57.28542       6.692744      52.56712       9.975000      62.01078       8.926493      67.91265 7.343994 75.39816 5.919569 -7.485512      9.432685 
1 1 1 8  8  44 o 34.75694 7.388063 17.70421       5.683200      16.81156       8.813140      18.59686       7.176617      32.79987 11.19199 36.71400 9.647449 -3.914127      14.77613 
1 1 1 8  8  45 o 55.76380 5.030681 38.80191       5.489793      31.54028       7.792970      46.06353       7.736294      49.20512 7.918860 62.32248 6.206664 -13.11736      10.06136 
1 1 1 8  9  0  o 207.6225 3.957962 431.6597       16.42191      431.6597       16.42191      431.6597       16.42191      207.6225 3.957962 207.6225 3.957962 0.000000       0.000000 
1 1 1 8  9  1  o 201.1304 2.762376 405.1635       11.12978      430.9512       16.46442      379.3759       14.97667      207.5359 3.966643 194.7249 3.845598 12.81107       5.524752 
1 1 1 8  9  2  o 384.4920 4.257097 1479.956       32.73756      1500.501       46.92785      1460.119       45.66680      387.1109 6.061293 381.8730 5.979318 5.237854       8.514194 
1 1 1 8  9  3  o 235.3765 2.292687 554.5052       10.76847      577.6716       14.67912      531.2679       15.76305      240.3082 3.054228 230.4447 3.420138 9.863510       4.585373 
1 1 1 8  9  4  o 311.9667 2.757325 973.4128       17.21538      966.3282       22.29498      981.2057       26.23397      310.7880 3.586847 313.1455 4.188782 -2.357574      5.514650 
1 1 1 8  9  5  o 341.7897 2.738800 1168.946       18.73146      1142.733       25.87266      1195.158       27.08411      337.9590 3.827780 345.6203 3.918189 -7.661255      5.477600 
1 1 1 8  9  6  o 293.8243 2.438102 864.3112       14.33906      896.1915       20.89933      831.7224       19.63120      299.3062 3.491296 288.3425 3.404147 10.96368       4.876204 
1 1 1 8  9  7  o 290.4865 2.417350 844.4745       14.04860      839.5154       19.80123      848.7253       19.92166      289.6942 3.417608 291.2789 3.419689 -1.584656      4.834700 
1 1 1 8  9  8  o 357.1740 2.829626 1275.922       20.21213      1278.047       28.61437      1274.505       28.55769      357.4218 4.002886 356.9262 4.000504 0.4955444      5.659251 
1 1 1 8  9  9  o 303.0203 2.497948 918.1536       15.13961      909.6522       21.23230      927.3634       21.58652      301.5598 3.520413 304.4808 3.544809 -2.920990      4.995896 
1 1 1 8  9  10 o 145.2579 1.909577 211.1186       5.537259      219.6909       7.552096      202.5464       8.097604      148.2094 2.547778 142.3065 2.845129 5.902985       3.819153 
1 1 1 8  9  11 o 103.5578 1.870123 107.2596       3.873106      108.2514       5.535842      106.2678       5.419656      104.0365 2.660529 103.0790 2.628884 0.9574509      3.740246 
1 1 1 8  9  12 o 361.7770 3.390173 1309.927       24.60453      1328.347       41.88367      1290.799       25.83724      364.3293 5.748051 359.2246 3.596251 5.104767       6.780347 
1 1 1 8  9  13 o 285.2526 2.812186 814.0111       16.01810      808.3435       26.93534      819.6788       17.34998      284.2366 4.738189 286.2685 3.030369 -2.031891      5.624373 
1 1 1 8  9  14 o 295.7180 3.164002 874.9379       18.68187      857.9351       28.49393      891.9408       24.16529      292.8331 4.865217 298.6029 4.046392 -5.769745      6.328003 
1 1 1 8  9  15 o 246.9882 2.683177 610.4020       13.33306      629.9553       22.16746      590.8488       14.81373      250.9299 4.417062 243.0465 3.047509 7.883362       5.366354 
1 1 1 8  9  16 o 400.4608 5.055270 1606.769       40.87058      1655.652       74.17490      1557.177       34.34575      406.4168 9.125471 394.5047 4.353021 11.91208       10.11054 
1 1 1 8  9  17 o 44.38844 4.370756 19.73038       3.863188      19.17071       6.197536      20.28297       4.614146      43.75570 7.081976 45.02118 5.124418 -1.265480      8.741512 
1 1 1 8  9  18 o 458.7580 4.310513 2107.644       39.35450      2040.341       62.99553      2174.239       47.19706      451.3952 6.977870 466.1208 5.062749 -14.72568      8.621026 
1 1 1 8  9  19 o 495.8955 4.642485 2463.287       46.04937      2464.704       75.45012      2461.162       52.80091      495.9425 7.606740 495.8484 5.324299 0.9408569E-01  9.284969 
1 1 1 8  9  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  9  21 o 756.3851 5.773637 5739.168       87.42295      5761.838       138.7857      5716.498       106.1969      757.5732 9.159888 755.1971 7.031074 2.376099       11.54727 
1 1 1 8  9  22 o 113.9334 2.702396 0.000000       0.000000      ?              ?             129.8592       6.157863      ?        ?        113.9334 2.702396 ?              ?        
1 1 1 8  9  23 o 251.2522 2.704298 632.0806       13.59519      634.0644       22.37999      630.0262       15.44425      251.5998 4.447537 250.9046 3.077713 0.6952515      5.408596 
1 1 1 8  9  24 f 191.0490 2.068912 365.4903       7.849646      347.7081       12.39791      383.3432       9.634944      186.3659 3.326227 195.7321 2.461259 -9.366135      4.137824 
1 1 1 8  9  25 o 98.68642 2.094008 97.55381       4.155069      103.8590       6.466748      91.31944       5.218455      101.8525 3.174567 95.52037 2.731593 6.332085       4.188015 
1 1 1 8  9  26 o 63.45196 2.399267 40.40301       3.003127      36.86074       4.742376      43.93818       3.686783      60.65189 3.909504 66.25203 2.782393 -5.600140      4.798534 
1 1 1 8  9  27 o 244.0486 2.878876 597.2249       14.05568      598.4292       24.76748      595.9496       13.29056      244.1223 5.072759 243.9750 2.723754 0.1473846      5.757753 
1 1 1 8  9  28 o 98.14834 3.219355 97.12873       5.987126      84.73083       11.23604      109.5266       4.137358      91.68506 6.127522 104.6116 1.977485 -12.92656      6.438709 
1 1 1 8  9  29 o 209.9793 2.691246 442.4282       11.24313      436.4771       20.36799      448.3791       9.535762      208.3353 4.888270 211.6233 2.253004 -3.287933      5.382492 
1 1 1 8  9  30 f 77.17616 3.767790 60.14047       5.584725      54.74207       10.59844      65.54595       3.518172      73.44622 7.215102 80.90610 2.174232 -7.459877      7.535581 
1 1 1 8  9  31 o 66.67981 4.023717 44.92293       5.467123      47.26082       10.50634      42.58503       3.016588      68.15368 7.707830 65.20593 2.313124 2.947746       8.047434 
1 1 1 8  9  32 o 149.9001 2.821411 225.9961       8.395153      222.4539       15.72054      229.4675       5.897153      148.4192 5.295996 151.3810 1.947785 -2.961807      5.642822 
1 1 1 8  9  33 o 191.4731 2.862744 369.1034       11.04476      378.5258       20.59469      359.6101       7.998421      193.4789 5.322206 189.4674 2.110765 4.011520       5.725488 
1 1 1 8  9  34 o 104.5901 4.233931 111.2269       8.536844      102.1587       15.91891      120.3660       6.164948      99.66251 7.986410 109.5176 2.814591 -9.855133      8.467861 
1 1 1 8  9  35 o 38.30085 8.042460 16.64153       7.644195      22.52877       14.62953      10.76138       4.435616      44.84828 14.40552 31.75343 7.155810 13.09485       16.08492 
1 1 1 8  9  36 o 144.5228 3.151600 211.6854       9.301972      226.4920       17.10911      196.8788       7.289969      149.0187 5.740593 140.0268 2.603061 8.991837       6.303200 
1 1 1 8  9  37 o 65.70805 5.273679 44.94418       6.542552      40.12671       12.29164      49.76165       4.485917      61.13449 10.05295 70.28161 3.191387 -9.147121      10.54736 
1 1 1 8  9  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  9  39 o 39.79045 6.628414 16.88241       5.994210      13.14886       11.46275      20.61595       3.510378      34.56001 12.67061 45.02090 3.898610 -10.46090      13.25683 
1 1 1 8  9  40 o 32.98565 12.32551 12.57502       10.93141      12.57502       10.93141      ?              ?             32.98565 12.32551 ?        ?        ?              ?        
1 1 1 8  9  41 o 19.67809 9.671997 0.000000       0.000000      ?              ?             -14.90582      13.09927      ?        ?        19.67809 9.671997 ?              ?        
1 1 1 8  9  42 o 81.77712 10.18359 82.67632       16.65570      82.67632       16.65570      ?              ?             81.77712 10.18359 ?        ?        ?              ?        
1 1 1 8  9  43 o 85.90169 4.146811 81.25941       7.031384      72.47462       10.47800      90.04422       9.372816      80.32594 6.522178 91.47743 5.123022 -11.15150      8.293621 
1 1 1 8  9  44 o 35.00508 6.302113 16.40774       5.591102      5.125648       8.366816      27.69338       7.417490      22.68661 9.871574 47.32354 7.836998 -24.63693      12.60423 
1 1 1 8  10 0  o 145.7339 2.573404 212.6064       7.495420      212.6064       7.495420      212.6064       7.495420      145.7339 2.573404 145.7339 2.573404 0.000000       0.000000 
1 1 1 8  10 1  o 633.3098 5.075487 4018.339       64.22823      3970.873       96.13691      4065.096       85.22675      629.5238 7.635685 637.0958 6.688692 -7.572021      10.15097 
1 1 1 8  10 2  o 485.1938 3.990566 2357.019       38.73814      2369.063       58.70940      2344.267       50.55512      486.4330 6.034686 483.9547 5.223125 2.478210       7.981132 
1 1 1 8  10 3  o 27.98482 5.242689 8.125941       3.032174      5.940369       4.220247      10.30797       4.355562      24.51477 7.722559 31.45487 7.092617 -6.940098      10.48538 
1 1 1 8  10 4  o 294.2769 2.852237 866.4365       16.78322      871.3957       23.77564      861.4774       23.70480      295.1193 4.028141 293.4345 4.039197 1.684784       5.704474 
1 1 1 8  10 5  o 395.1797 3.575107 1562.845       28.25306      1562.845       39.88583      1562.845       40.03461      395.1803 5.046537 395.1792 5.065375 0.1098633E-02  7.150214 
1 1 1 8  10 6  o 140.1212 2.139386 196.5245       5.999878      187.5980       8.218040      205.3802       8.742295      136.9496 3.000389 143.2927 3.050503 -6.343094      4.278773 
1 1 1 8  10 7  o 234.3905 2.324784 549.5461       10.91724      539.8403       13.99901      559.3227       16.74780      232.3182 3.012896 236.4628 3.541318 -4.144638      4.649568 
1 1 1 8  10 8  o 205.8138 2.311069 423.9375       9.528677      403.7466       12.74505      444.1284       14.16904      200.9113 3.171809 210.7163 3.362113 -9.804932      4.622139 
1 1 1 8  10 9  o 206.7116 2.324797 427.4798       9.613690      418.1283       13.09219      436.7605       14.09111      204.4599 3.201652 208.9633 3.371670 -4.503403      4.649594 
1 1 1 8  10 10 o 743.6011 6.317306 5538.676       93.94070      5618.731       134.5350      5458.621       131.2053      748.9689 8.981348 738.2332 8.886437 10.73566       12.63461 
1 1 1 8  10 11 o 83.26525 2.411283 69.35035       4.016213      68.81192       5.495461      69.88877       5.858896      82.94263 3.312808 83.58787 3.504633 -0.6452332     4.822567 
1 1 1 8  10 12 o 172.9583 2.173204 299.1792       7.516674      298.8250       10.47092      299.6043       10.78972      172.8463 3.028968 173.0704 3.117149 -0.2241058     4.346408 
1 1 1 8  10 13 o 291.5976 3.165554 850.8506       18.41266      877.0634       23.78981      824.6379       28.09720      296.1023 4.017160 287.0928 4.893399 9.009491       6.331108 
1 1 1 8  10 14 o 641.2000 5.144942 4117.522       65.87185      3980.791       96.98705      4254.253       89.12323      630.5050 7.691220 651.8950 6.835705 -21.39001      10.28988 
1 1 1 8  10 15 o 293.1724 2.597107 860.0605       15.16795      831.7224       23.69063      888.3986       18.94400      288.3272 4.108289 298.0176 3.178336 -9.690369      5.194213 
1 1 1 8  10 16 o 62.30618 3.517086 39.15613       4.424282      46.04937       6.958413      32.25581       5.466414      67.83579 5.128866 56.77658 4.813969 11.05922       7.034171 
1 1 1 8  10 17 o 298.8884 2.721564 893.3577       16.24480      884.8563       25.84432      902.5676       19.69496      297.3915 4.345168 300.3852 3.278285 -2.993622      5.443127 
1 1 1 8  10 18 o 199.8664 2.619777 399.7085       10.50634      405.8720       18.07261      393.4741       10.73304      201.3952 4.486852 198.3377 2.705751 3.057495       5.239554 
1 1 1 8  10 19 o 483.6183 4.392208 2342.142       42.38667      2319.471       71.41194      2365.521       45.68806      481.0834 7.421991 486.1533 4.698936 -5.069855      8.784415 
1 1 1 8  10 20 o 129.8687 2.757521 169.2491       7.374983      187.0313       13.26930      151.4670       6.443369      136.6850 4.853971 123.0525 2.618139 13.63256       5.515042 
1 1 1 8  10 21 o 470.2739 3.746654 2214.620       35.24548      2219.580       56.08813      2209.661       42.70547      470.7150 5.957758 469.8327 4.544753 0.8823242      7.493308 
1 1 1 8  10 22 o 316.1749 3.083637 1001.042       19.41158      979.0804       32.46835      1023.004       21.27481      312.6228 5.192894 319.7269 3.327028 -7.104065      6.167274 
1 1 1 8  10 23 o 211.3944 2.211780 447.3873       9.401155      462.5482       15.43008      432.2973       10.74721      214.9374 3.589435 207.8514 2.585312 7.086029       4.423560 
1 1 1 8  10 24 o 62.07755 2.611547 38.70980       3.183782      34.36700       5.015130      43.05970       3.924114      58.56638 4.281579 65.58872 2.991455 -7.022346      5.223095 
1 1 1 8  10 25 o 259.2841 2.416685 673.3834       12.48292      654.1135       19.73747      692.6533       15.28839      255.5219 3.862187 263.0464 2.906026 -7.524475      4.833371 
1 1 1 8  10 26 o 245.9229 2.348399 605.7263       11.55485      607.4974       18.70313      603.9551       13.57394      246.2235 3.797998 245.6223 2.763172 0.6011505      4.696798 
1 1 1 8  10 27 o 261.3309 2.425453 684.5060       12.63170      668.6368       20.11295      700.3754       15.29548      258.2195 3.894546 264.4423 2.892025 -6.222870      4.850906 
1 1 1 8  10 28 o 154.0500 1.986774 237.7564       6.104729      233.7182       9.875818      241.7946       7.176617      152.6968 3.233799 155.4032 2.309031 -2.706360      3.973548 
1 1 1 8  10 29 f 200.2919 2.732470 402.6131       10.98100      407.4306       20.10586      397.8665       8.834394      201.2373 4.995561 199.3465 2.215838 1.890732       5.464940 
1 1 1 8  10 30 o 205.9686 2.768320 426.2046       11.37774      424.7877       20.77181      427.5507       9.301972      205.3205 5.058387 206.6166 2.251022 -1.296173      5.536640 
1 1 1 8  10 31 o 75.87439 4.339077 58.54646       6.120315      49.70498       11.71779      67.39502       3.550761      69.71596 8.403954 82.03283 2.164232 -12.31687      8.678153 
1 1 1 8  10 32 o 96.95747 3.434348 94.79085       6.627566      94.22409       12.63878      95.28677       3.987875      96.36907 6.557487 97.54587 2.044103 -1.176796      6.868697 
1 1 1 8  10 33 o 223.8516 2.960387 504.5594       13.23388      504.7719       24.30698      504.2760       10.47800      223.3816 5.440686 224.3217 2.335486 -0.9400940     5.920774 
1 1 1 8  10 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  10 35 o 103.7687 3.843950 109.4558       7.998421      111.5103       14.89166      107.3305       5.849687      104.1617 7.148335 103.3757 2.829333 0.7859955      7.687900 
1 1 1 8  10 36 o 110.3488 3.517767 123.6957       7.771716      125.4668       14.36032      121.9954       5.946744      110.5065 6.497499 110.1912 2.698376 0.3153305      7.035533 
1 1 1 8  10 37 o 32.35658 7.308595 10.58427       6.422824      11.25730       12.21371      9.904156       3.970872      34.33728 12.98331 30.37589 6.715341 3.961395       14.61719 
1 1 1 8  10 38 o 76.36722 4.935011 61.06855       7.162447      55.96769       13.51726      66.16940       4.764338      71.73488 9.421679 80.99955 2.940966 -9.264671      9.870022 
1 1 1 8  10 39 o 90.88387 4.678357 86.78535       8.380984      80.76351       13.37557      92.87803       10.10252      86.93958 7.692451 94.82815 5.326753 -7.888565      9.356714 
1 1 1 8  10 40 o 39.36433 8.080028 18.88024       7.190785      14.82081       11.56193      22.93967       8.551013      34.78032 12.72785 43.94835 9.957374 -9.168026      16.16006 
1 1 1 8  10 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  10 42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  10 43 o 38.83180 7.084053 20.59469       5.583308      23.42141       8.763549      17.76797       6.917324      40.93732 10.61642 36.72628 9.382260 4.211040       14.16811 
1 1 1 8  10 44 o 25.50294 6.945148 8.465999       5.435242      4.351311       8.352647      12.58919       6.954871      21.96680 9.700070 29.03907 9.942282 -7.072266      13.89030 
1 1 1 8  11 0  o 77.13079 3.576145 59.88543       5.491210      59.88543       5.491210      59.88543       5.491210      77.13079 3.576145 77.13079 3.576145 0.000000       0.000000 
1 1 1 8  11 1  o 328.0862 2.685778 1077.555       17.63337      1115.812       25.70263      1038.590       24.15112      333.9661 3.848090 322.2062 3.747774 11.75989       5.371555 
1 1 1 8  11 2  o 486.6358 3.707598 2370.480       36.08853      2334.349       50.30008      2405.902       51.76657      482.9653 5.207422 490.3062 5.279004 -7.340942      7.415195 
1 1 1 8  11 3  o 479.1407 3.656654 2297.509       35.04002      2322.305       50.03795      2272.713       49.07445      481.7248 5.193624 476.5566 5.148859 5.168182       7.313309 
1 1 1 8  11 4  o 133.5228 1.875903 178.3173       5.009462      179.2383       7.141194      177.3963       7.027842      133.8674 2.667263 133.1781 2.638513 0.6893768      3.751806 
1 1 1 8  11 5  o 207.7841 2.462733 431.8722       10.23004      431.0929       16.50693      432.6515       12.09327      207.5872 3.975902 207.9810 2.907302 -0.3938446     4.925465 
1 1 1 8  11 6  o 285.4225 3.114743 814.7195       17.80339      827.4717       27.65087      802.6758       22.44375      287.5812 4.807490 283.2639 3.961633 4.317291       6.229486 
1 1 1 8  11 7  o 416.0746 4.586957 1732.873       38.17138      1762.628       54.38784      1703.118       53.57312      419.6474 6.480184 412.5017 6.493685 7.145660       9.173915 
1 1 1 8  11 8  o 404.5060 4.478906 1637.941       36.24440      1686.115       52.14914      1589.766       50.34258      410.4550 6.352601 398.5571 6.315605 11.89792       8.957812 
1 1 1 8  11 9  o 304.4259 3.622808 927.3634       22.06827      907.5267       30.11629      947.2001       32.26998      301.1736 4.999822 307.6782 5.244112 -6.504639      7.245615 
1 1 1 8  11 10 o 712.8867 6.840414 5093.768       97.69550      4993.168       120.6493      5194.369       153.8049      706.0183 8.544350 719.7552 10.68453 -13.73688      13.68083 
1 1 1 8  11 11 o 348.6391 3.077123 1215.703       21.46609      1207.910       27.77839      1224.205       32.73756      347.4836 3.997081 349.7946 4.679540 -2.311096      6.154246 
1 1 1 8  11 12 o 232.2773 2.392849 539.6986       11.12978      530.2053       14.23988      549.1918       17.11619      230.2388 3.092415 234.3157 3.652379 -4.076889      4.785698 
1 1 1 8  11 13 o 195.9226 2.269522 383.9809       8.905238      376.8255       11.33523      391.1362       13.74396      194.1010 2.919931 197.7443 3.475187 -3.643295      4.539044 
1 1 1 8  11 14 o 560.9608 4.582678 3150.485       51.41943      3146.943       67.09747      3154.028       77.92970      560.6942 5.983428 561.2274 6.942792 -0.5331421     9.165357 
1 1 1 8  11 15 o 553.9819 4.567233 3072.555       50.54803      3034.299       75.80434      3110.812       66.92744      550.4902 6.885167 557.4736 6.002745 -6.983398      9.134465 
1 1 1 8  11 16 o 363.0834 3.497228 1319.137       25.39800      1312.761       35.82641      1325.513       36.00352      362.2059 4.945585 363.9609 4.946070 -1.754974      6.994456 
1 1 1 8  11 17 o 590.9390 4.631261 3496.918       54.81292      3542.259       87.77718      3451.577       65.73016      594.6636 7.380406 587.2143 5.596778 7.449280       9.262523 
1 1 1 8  11 18 o 94.40378 2.616910 89.19408       4.910279      86.07689       8.019674      92.31127       5.666906      92.74468 4.323523 96.06287 2.949582 -3.318184      5.233821 
1 1 1 8  11 19 o 338.2772 2.916097 1144.858       19.75872      1156.902       31.72447      1133.523       23.55602      339.9679 4.665804 336.5866 3.499251 3.381317       5.832194 
1 1 1 8  11 20 o 109.6659 2.269748 120.2951       4.970498      118.6657       7.863815      121.9954       6.077100      108.9001 3.610564 110.4317 2.751520 -1.531601      4.539497 
1 1 1 8  11 21 o 291.8049 2.754870 852.2675       16.09602      862.8942       24.73914      841.6407       20.59469      293.6029 4.213026 290.0068 3.550726 3.596130       5.509741 
1 1 1 8  11 22 o 235.0913 2.420933 553.5134       11.44150      577.9550       18.19304      529.0718       13.87857      240.2577 3.786152 229.9249 3.018066 10.33284       4.841866 
1 1 1 8  11 23 o 332.1024 2.867994 1104.476       19.09278      1122.896       30.79640      1086.765       22.57836      334.7388 4.600064 329.4659 3.426510 5.272949       5.735988 
1 1 1 8  11 24 o 88.38776 2.224739 78.28393       3.906403      74.88335       6.239335      81.61364       4.703412      86.47046 3.607784 90.30506 2.604180 -3.834602      4.449478 
1 1 1 8  11 25 f 80.76877 2.240717 65.32634       3.610979      64.26366       5.763964      66.38902       4.351311      80.09634 3.598144 81.44118 2.671444 -1.344841      4.481434 
1 1 1 8  11 26 o 187.9737 2.313263 354.2967       8.820225      376.4713       15.19629      332.1222       8.947746      193.7924 3.920766 182.1550 2.456080 11.63736       4.626525 
1 1 1 8  11 27 f 225.3466 2.541823 509.1643       11.41316      501.7256       19.31240      516.6739       12.17829      223.5585 4.319316 227.1347 2.680851 -3.576202      5.083645 
1 1 1 8  11 28 o 102.1238 2.111886 104.7092       4.254961      96.34944       6.820973      112.9981       5.087392      98.01855 3.479430 106.2291 2.394539 -8.210518      4.223772 
1 1 1 8  11 29 o 89.30923 2.070033 79.91336       3.698118      80.05505       5.830558      79.84251       4.549677      89.34323 3.263011 89.27524 2.548119 0.6799316E-01  4.140066 
1 1 1 8  11 30 f 144.2262 2.884057 209.0641       8.295970      208.2848       15.12545      209.7726       6.841519      143.7361 5.261533 144.7163 2.363770 -0.9801636     5.768114 
1 1 1 8  11 31 o 151.4419 2.868294 230.6719       8.621859      226.9879       16.03935      234.4267       6.332142      149.8916 5.350317 152.9922 2.069433 -3.100662      5.736588 
1 1 1 8  11 32 o 126.7699 3.162655 162.2355       7.700871      146.9329       14.43825      177.5380       5.363688      120.3987 5.996015 133.1411 2.014287 -12.74239      6.325310 
1 1 1 8  11 33 o 103.9932 3.810173 109.4558       7.856731      108.2514       15.08294      110.5893       4.395943      102.9190 7.327574 105.0674 2.091964 -2.148346      7.620345 
1 1 1 8  11 34 o 35.22616 8.845448 4.106186       12.66712      -4.216705      24.92334      12.42624       4.510713      36.22085 16.31911 34.23147 6.830412 1.989384       17.69090 
1 1 1 8  11 35 o 142.9772 3.387452 207.2222       9.790804      216.7862       17.30039      197.6581       9.167366      145.7881 5.933404 140.1664 3.270173 5.621674       6.774903 
1 1 1 8  11 36 o 111.1930 3.578258 125.8919       8.026759      130.6385       14.86332      121.1453       6.077808      112.6110 6.599411 109.7750 2.768303 2.835968       7.156516 
1 1 1 8  11 37 o 143.6161 3.561888 211.3312       10.40716      227.9798       18.31348      194.6825       9.897071      148.4895 6.166591 138.7427 3.566699 9.746765       7.123776 
1 1 1 8  11 38 o 126.4615 3.419993 163.5107       8.579351      162.6605       15.90474      164.4317       6.452579      125.0897 6.357336 127.8333 2.523826 -2.743576      6.839986 
1 1 1 8  11 39 o 82.69704 5.003044 72.68716       8.288886      74.74166       13.39682      70.61848       9.762465      83.14899 8.055914 82.24509 5.934984 0.9039078      10.00609 
1 1 1 8  11 40 o 99.17677 4.673419 104.7092       9.082352      92.94887       14.16904      116.4695       11.35648      92.59842 7.650797 105.7551 5.369235 -13.15672      9.346838 
1 1 1 8  11 41 f 32.57269 7.962780 15.19629       7.530843      6.440535       11.82406      23.95275       9.330310      25.20292 11.30241 39.94246 11.21958 -14.73954      15.92556 
1 1 1 8  11 42 o 32.00492 7.537136 13.87857       5.732083      17.81756       8.976085      9.946663       7.134109      35.86481 11.25549 28.14502 10.02734 7.719790       15.07427 
1 1 1 8  11 43 o 41.02948 6.643323 22.84757       5.819932      13.12053       8.579351      32.58170       7.863815      29.74689 10.95632 52.31206 7.516254 -22.56517      13.28665 
1 1 1 8  11 44 o 69.56804 4.653177 57.74590       6.423533      52.72298       9.316141      62.76883       8.848563      65.61803 7.098765 73.51804 6.017954 -7.900002      9.306355 
1 1 1 8  12 0  o 15.83075 8.772311 3.489125       4.016213      3.489125       4.016213      3.489125       4.016213      15.83075 8.772311 15.83075 8.772311 0.000000       0.000000 
1 1 1 8  12 1  o 449.4167 3.761562 2021.213       33.84274      1995.000       43.65480      2047.426       51.73115      446.5262 4.888269 452.3073 5.718585 -5.781158      7.523124 
1 1 1 8  12 2  o 305.9824 2.979048 937.2817       18.24972      986.1649       26.72280      888.3986       24.85249      313.9656 4.255690 297.9991 4.169893 15.96652       5.958096 
1 1 1 8  12 3  o 661.3019 5.675742 4379.649       75.02505      4383.900       106.1261      4375.398       106.1969      661.6236 8.020125 660.9802 8.033291 0.6434326      11.35148 
1 1 1 8  12 4  o 668.0648 5.732594 4469.623       76.58364      4505.753       109.0307      4433.491       107.6138      670.7626 8.127371 665.3669 8.086802 5.395691       11.46519 
1 1 1 8  12 5  o 132.0739 2.210517 174.9167       5.831975      192.5572       8.430575      157.2763       8.055097      138.7515 3.038012 125.3963 3.211857 13.35527       4.421034 
1 1 1 8  12 6  o 577.0807 4.997963 3333.974       57.70340      3350.269       81.75533      3316.971       81.40111      578.5219 7.065881 575.6395 7.070494 2.882446       9.995927 
1 1 1 8  12 7  o 743.4729 5.493115 5534.426       81.68449      5498.294       114.7692      5570.557       116.2569      741.0490 7.743699 745.8969 7.793097 -4.847900      10.98623 
1 1 1 8  12 8  f 351.1112 2.864022 1233.415       20.12003      1262.461       29.13862      1204.368       27.75006      355.2444 4.101208 346.9780 3.998821 8.266449       5.728043 
1 1 1 8  12 9  o 830.4244 6.589775 6911.656       109.3141      6749.420       162.0938      7073.891       146.6495      820.5683 9.876921 840.2806 8.726223 -19.71234      13.17955 
1 1 1 8  12 10 o 142.8666 2.375510 204.3884       6.864897      219.0533       11.34231      189.7942       7.736294      147.9797 3.832388 137.7534 2.808022 10.22627       4.751019 
1 1 1 8  12 11 o 538.4974 4.416879 2901.819       47.55128      2882.690       71.55363      2921.655       62.63422      536.6597 6.666574 540.3352 5.795867 -3.675476      8.833758 
1 1 1 8  12 12 o 422.6602 3.857537 1787.424       32.61003      1814.345       46.73656      1761.211       45.49677      425.7990 5.488102 419.5214 5.422462 6.277618       7.715074 
1 1 1 8  12 13 o 370.6006 4.945391 0.000000       0.000000      ?              ?             1374.396       36.65530      ?        ?        370.6006 4.945391 ?              ?        
1 1 1 8  12 14 o 460.4772 3.922731 2122.521       36.20897      2067.971       45.98560      2177.073       55.93935      454.5914 5.057906 466.3631 5.997404 -11.77167      7.845461 
1 1 1 8  12 15 o 111.3448 3.167081 124.0499       7.042719      128.7965       9.727042      119.3741       10.18754      113.4617 4.286488 109.2278 4.663434 4.233841       6.334161 
1 1 1 8  12 16 o 232.2171 3.000570 539.5568       13.88566      550.1837       16.13144      529.0010       22.61378      234.5181 3.439276 229.9162 4.917830 4.601822       6.001140 
1 1 1 8  12 17 o 373.1135 3.058088 1392.816       22.82631      1412.653       32.74464      1373.688       31.80240      375.7205 4.357580 370.5065 4.291748 5.213989       6.116175 
1 1 1 8  12 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 19 o 370.4523 3.123442 1373.688       23.18763      1394.233       37.25039      1353.143       27.62962      373.1757 4.990999 367.7289 3.756793 5.446869       6.246884 
1 1 1 8  12 20 f 285.9763 2.978194 818.9703       17.08077      828.8886       29.14571      808.3435       17.81756      287.7116 5.065090 284.2410 3.134236 3.470673       5.956389 
1 1 1 8  12 21 o 248.7961 2.433578 619.7537       12.18537      643.9118       19.98542      595.6663       13.94233      253.6049 3.940268 243.9872 2.857184 9.617706       4.867157 
1 1 1 8  12 22 o 112.5486 2.252814 126.8129       5.056929      123.9791       7.870899      129.6467       6.354813      111.2779 3.536595 113.8192 2.791626 -2.541252      4.505628 
1 1 1 8  12 23 o 324.4146 3.181926 1054.885       20.46717      1009.544       33.85691      1100.934       22.99634      317.2426 5.336123 331.5866 3.467622 -14.34406      6.363853 
1 1 1 8  12 24 o 86.24940 2.309646 74.45828       3.992834      75.66265       6.417865      73.32476       4.751586      86.91017 3.692240 85.58862 2.775828 1.321548       4.619292 
1 1 1 8  12 25 o 129.7142 2.073817 168.4698       5.369356      166.6987       8.671450      170.2410       6.339935      129.0073 3.360838 130.4211 2.430563 -1.413849      4.147634 
1 1 1 8  12 26 o 113.2488 2.116011 128.5132       4.811805      133.3306       7.608772      123.6957       5.895027      115.3520 3.298068 111.1457 2.651936 4.206253       4.232023 
1 1 1 8  12 27 o 178.8595 2.125716 320.5744       7.615856      323.7625       12.41208      317.3864       8.827310      179.6901 3.453744 178.0289 2.479179 1.661255       4.251433 
1 1 1 8  12 28 o 55.55548 2.732010 31.08686       3.056261      34.78498       4.739542      27.38875       3.860354      58.86315 4.025899 52.24781 3.694273 6.615341       5.464021 
1 1 1 8  12 29 o 126.1997 2.017422 159.6850       5.090226      159.6142       8.175533      159.6850       6.070015      126.1414 3.240623 126.2579 2.403815 -0.1165619     4.034844 
1 1 1 8  12 30 o 103.7392 2.065962 108.0389       4.322973      115.6193       6.961247      100.4585       5.129191      107.3514 3.242272 100.1270 2.561342 7.224327       4.131925 
1 1 1 8  12 31 o 130.2492 3.169576 170.8786       8.104689      162.5897       14.84915      179.1674       6.489419      126.7779 5.856365 133.7204 2.426487 -6.942558      6.339152 
1 1 1 8  12 32 o 147.9715 3.009578 220.5410       8.947746      224.5084       16.78322      216.5737       6.218790      148.9079 5.635437 147.0350 2.114730 1.872864       6.019156 
1 1 1 8  12 33 o 140.4056 3.642587 199.7834       10.30089      205.5219       19.42575      193.9741       6.879775      141.7442 6.852396 139.0670 2.473548 2.677246       7.285174 
1 1 1 8  12 34 o 139.8810 3.449835 198.1540       9.592437      197.0913       18.07261      199.2875       6.439827      138.7933 6.510621 140.9687 2.284133 -2.175446      6.899671 
1 1 1 8  12 35 o 92.45644 4.342609 87.84802       7.516674      74.59997       13.82898      101.0961       5.912030      84.63634 8.169646 100.2765 2.947864 -15.64019      8.685218 
1 1 1 8  12 36 o 77.09673 4.613553 61.27399       6.964789      59.34700       13.01426      63.20807       4.964122      74.97701 8.678833 79.21645 3.133265 -4.239433      9.227106 
1 1 1 8  12 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  12 38 o 103.1174 3.933072 110.0226       7.948828      107.1888       14.91291      112.7855       5.502545      100.4394 7.423834 105.7954 2.600559 -5.356018      7.866144 
1 1 1 8  12 39 o 88.17719 5.014193 83.59731       8.806056      82.74717       13.99192      84.44745       10.69054      86.82678 8.057377 89.52759 5.970527 -2.700806      10.02839 
1 1 1 8  12 40 o 86.29375 5.848680 87.13957       9.868733      79.62997       15.45133      94.57832       12.29164      80.36230 9.613546 92.22519 6.663927 -11.86289      11.69736 
1 1 1 8  12 41 o 39.38070 7.928065 20.66554       6.573724      22.64212       10.08127      18.68896       8.437660      40.83542 11.72472 37.92598 10.67464 2.909435       15.85613 
1 1 1 8  12 42 o 28.98141 7.386057 10.57010       5.834808      6.209579       8.742295      14.92708       7.729208      24.91175 10.43470 33.05106 10.45621 -8.139309      14.77211 
1 1 1 8  12 43 o 62.32708 6.601163 52.30500       8.359732      41.57903       9.826226      63.03804       13.53143      56.99107 8.620847 67.66309 9.999122 -10.67201      13.20233 
1 1 1 8  12 44 o 20.47320 6.742062 3.372230       6.704079      0.7105771E-01  7.573349      6.672907       11.06602      18.22447 8.497593 22.72192 10.46960 -4.497448      13.48412 
1 1 1 8  13 0  o 638.2910 9.538979 4080.683       121.7120      4080.683       121.7120      4080.683       121.7120      638.2910 9.538979 638.2910 9.538979 0.000000       0.000000 
1 1 1 8  13 1  o 398.4665 4.467444 1589.057       35.59970      1583.390       50.13713      1594.725       50.56220      397.7567 6.302487 399.1763 6.333317 -1.419617      8.934889 
1 1 1 8  13 2  o 275.5755 3.442007 759.4603       18.97234      750.2504       26.52443      769.3787       27.13370      273.8417 4.843023 277.3093 4.892318 -3.467560      6.884014 
1 1 1 8  13 3  o 421.7760 3.587316 1780.339       30.22964      1752.001       45.19923      1807.969       40.15505      418.4457 5.400847 425.1063 4.722942 -6.660614      7.174631 
1 1 1 8  13 4  o 296.5313 2.558131 879.1887       15.16795      879.8971       21.43775      879.1887       21.47317      296.5910 3.614026 296.4715 3.621457 0.1195374      5.116261 
1 1 1 8  13 5  o 707.1339 5.249412 5006.629       74.24575      4982.542       104.4966      5030.008       105.4885      705.4596 7.406281 708.8081 7.441258 -3.348511      10.49882 
1 1 1 8  13 6  o 595.5791 4.478942 3550.052       53.36059      3552.177       75.52096      3548.635       75.37926      595.7273 6.338552 595.4309 6.329808 0.2963867      8.957885 
1 1 1 8  13 7  o 148.9651 2.046242 222.0288       6.099770      230.3177       8.798972      213.7399       8.444746      151.7466 2.899232 146.1835 2.888405 5.563065       4.092484 
1 1 1 8  13 8  o 87.17058 2.382257 76.01688       4.152236      77.71716       5.866689      74.31659       5.878025      88.14586 3.327830 86.19529 3.409713 1.950569       4.764514 
1 1 1 8  13 9  o 458.1326 3.557666 2100.560       32.60295      2143.775       47.01286      2056.635       45.19214      462.8830 5.078267 453.3823 4.983889 9.500641       7.115331 
1 1 1 8  13 10 o 525.6221 4.007838 2764.379       42.13163      2743.125       59.12030      2786.341       60.04837      523.5695 5.645889 527.6747 5.689904 -4.105286      8.015676 
1 1 1 8  13 11 o 380.6140 3.074445 1449.492       23.40725      1475.705       33.62312      1423.280       32.57461      384.0546 4.377388 377.1734 4.318254 6.881134       6.148890 
1 1 1 8  13 12 o 745.5381 7.143490 5574.099       106.5511      5538.676       134.2516      5610.230       165.5652      743.3624 9.030025 747.7139 11.07143 -4.351563      14.28698 
1 1 1 8  13 13 o 323.9985 3.047802 1049.926       19.74455      1044.966       29.87541      1055.593       25.81598      323.1668 4.622290 324.8301 3.973766 -1.663330      6.095604 
1 1 1 8  13 14 o 417.8029 3.662500 1747.042       30.71138      1811.511       47.85592      1683.281       38.49727      425.4445 5.624226 410.1613 4.692943 15.28320       7.325000 
1 1 1 8  13 15 o 281.7798 3.163517 794.1744       17.83173      782.1308       24.83123      806.9266       25.59636      279.5825 4.440770 283.9772 4.506763 -4.394684      6.327034 
1 1 1 8  13 16 o 273.7498 3.002048 750.2504       16.43608      755.2096       23.32932      744.5828       23.15929      274.7196 4.246024 272.7799 4.245049 1.939636       6.004096 
1 1 1 8  13 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 18 o 168.8839 2.373632 285.4352       7.998421      294.2200       10.34340      276.6504       12.19245      171.4919 3.015710 166.2758 3.666335 5.216125       4.747264 
1 1 1 8  13 19 o 266.6365 2.673590 711.9940       14.28947      728.9969       22.21705      694.1411       17.98050      269.8846 4.116027 263.3885 3.413306 6.496124       5.347180 
1 1 1 8  13 20 o 408.5306 3.992613 1672.655       32.55336      1652.818       52.91426      1692.491       37.93759      405.9607 6.517165 411.1005 4.614151 -5.139740      7.985226 
1 1 1 8  13 21 o 308.6567 2.903065 954.2846       17.94508      970.5789       27.67921      937.9902       22.85465      311.2495 4.446467 306.0640 3.733640 5.185455       5.806129 
1 1 1 8  13 22 o 179.7162 2.196674 323.3374       7.920490      329.6426       12.90091      317.0322       9.188620      181.4406 3.555132 177.9919 2.581191 3.448715       4.393348 
1 1 1 8  13 23 o 206.6377 2.517600 427.6924       10.42841      432.7932       17.68296      422.5206       11.06602      207.8115 4.254566 205.4638 2.692936 2.347733       5.035200 
1 1 1 8  13 24 o 77.83588 2.537356 60.81350       3.997793      66.17648       6.529800      55.44344       4.613438      81.25994 4.017847 74.41183 3.099936 6.848114       5.074711 
1 1 1 8  13 25 o 308.0053 2.765634 951.4508       17.03118      949.3254       27.20455      952.8677       20.49551      307.6093 4.421933 308.4013 3.322864 -0.7919922     5.531267 
1 1 1 8  13 26 o 158.8487 2.112787 252.7756       6.713998      252.9881       10.83931      252.6339       7.920490      158.8584 3.411627 158.8391 2.493244 0.1933289E-01  4.225573 
1 1 1 8  13 27 o 195.2836 2.423146 382.6348       9.564099      402.1881       16.35107      363.1524       9.932493      200.1539 4.084623 190.4133 2.608141 9.740616       4.846292 
1 1 1 8  13 28 o 121.2919 2.099951 147.4997       5.111480      150.9711       8.317224      144.0283       5.946036      122.6745 3.389957 119.9093 2.479388 2.765129       4.199902 
1 1 1 8  13 29 o 58.58041 2.749919 34.60787       3.255336      38.95776       5.160363      30.25797       3.970164      62.25906 4.144267 54.90177 3.615698 7.357285       5.499838 
1 1 1 8  13 30 o 59.95315 2.812881 36.23022       3.353102      32.75881       4.863521      39.70164       4.615563      57.04923 4.262565 62.85707 3.671475 -5.807838      5.625761 
1 1 1 8  13 31 o 53.76124 2.960242 29.08903       3.180948      28.83399       4.718997      29.35116       4.267714      53.50311 4.410021 54.01936 3.950171 -0.5162544     5.920485 
1 1 1 8  13 32 o 124.6062 2.112936 155.8594       5.248919      151.1128       8.104689      160.6060       6.669365      122.6587 3.303755 126.5537 2.634995 -3.894951      4.225872 
1 1 1 8  13 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 34 o 60.27391 6.769748 39.17738       7.015798      28.55061       13.52434      49.80416       3.726456      50.11254 13.27857 70.43529 2.645305 -20.32275      13.53950 
1 1 1 8  13 35 o 105.4495 3.956032 113.6357       8.055097      104.7092       14.83498      122.5622       6.292469      100.4937 7.381047 110.4052 2.849717 -9.911423      7.912063 
1 1 1 8  13 36 o 67.16367 5.393550 47.22540       7.098687      46.48861       13.30472      47.96218       4.973331      65.44289 10.16514 68.88444 3.609909 -3.441544      10.78710 
1 1 1 8  13 37 o 69.12079 5.162416 50.30716       7.247461      54.16114       13.69437      46.45318       4.737417      70.48005 9.715070 67.76152 3.495654 2.718529       10.32483 
1 1 1 8  13 38 o 57.46954 6.353972 36.42150       6.797595      35.35883       12.92216      37.49126       4.226623      54.13604 12.22340 60.80304 3.475667 -6.667007      12.70794 
1 1 1 8  13 39 o 52.01841 8.322203 33.99860       8.933578      46.68697       12.44750      21.31023       12.80881      63.85913 9.746059 40.17768 13.49261 23.68146       16.64441 
1 1 1 8  13 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  13 41 o 60.95837 7.767705 49.25156       9.103605      50.81017       11.08727      47.69297       14.44533      65.15820 8.507962 56.75853 12.99860 8.399670       15.53541 
1 1 1 8  13 42 o 31.82042 7.877696 12.73796       7.622942      22.76964       9.287803      2.709120       12.09327      39.48280 11.22748 24.15803 11.05333 15.32477       15.75539 
1 1 1 8  13 43 o 50.71018 8.155719 40.71472       8.508506      48.15347       14.89166      33.26889       8.225125      50.03373 14.21310 51.38663 8.003176 -1.352905      16.31144 
1 1 1 8  14 0  o 19.22261 9.707010 5.465705       4.577307      5.465705       4.577307      5.465705       4.577307      19.22261 9.707010 19.22261 9.707010 0.000000       0.000000 
1 1 1 8  14 1  o 149.4215 2.221009 223.7291       6.671490      242.0071       10.25130      205.3802       8.536844      155.5466 3.295250 143.2965 2.978735 12.25012       4.442019 
1 1 1 8  14 2  o 505.8511 4.488230 2561.762       45.41885      2602.143       65.44677      2520.672       62.98845      509.8685 6.418005 501.8336 6.275830 8.034912       8.976460 
1 1 1 8  14 3  o 152.5166 2.435074 232.7973       7.438744      243.2823       11.10852      222.3121       9.904156      155.9515 3.561533 149.0817 3.321721 6.869751       4.870149 
1 1 1 8  14 4  o 480.2666 4.297286 2308.844       41.28857      2351.352       59.64455      2266.337       57.10830      484.6825 6.152951 475.8507 6.000653 8.831818       8.594571 
1 1 1 8  14 5  o 187.0692 2.792879 350.1877       10.40716      337.9315       16.19521      362.4439       13.07094      183.7860 4.405996 190.3525 3.433350 -6.566483      5.585758 
1 1 1 8  14 6  o 381.8776 3.578650 1459.411       27.34624      1498.376       39.82207      1420.446       37.49126      386.9727 5.145334 376.7826 4.975186 10.19016       7.157300 
1 1 1 8  14 7  o 774.5935 6.207741 6010.505       96.34944      6151.487       148.4915      5869.523       122.8455      783.5760 9.475245 765.6110 8.022713 17.96497       12.41548 
1 1 1 8  14 8  o 287.4180 2.784410 826.0548       15.98976      814.0111       24.10861      838.8069       21.00560      285.2548 4.225804 289.5812 3.626892 -4.326447      5.568820 
1 1 1 8  14 9  o 739.5743 5.488207 5477.749       81.18858      5443.744       114.1316      5511.755       115.4776      737.2816 7.740026 741.8670 7.782908 -4.585388      10.97641 
1 1 1 8  14 10 o 506.9358 3.910037 2571.680       39.64496      2575.931       56.14481      2568.138       55.98186      507.3195 5.533476 506.5521 5.525775 0.7673645      7.820074 
1 1 1 8  14 11 o 640.8684 5.220779 4113.271       66.84951      4177.032       89.19408      4050.219       99.60831      645.8690 6.904967 635.8679 7.832470 10.00116       10.44156 
1 1 1 8  14 12 o 597.2539 4.537470 3571.305       54.21073      3501.877       75.30843      3640.734       78.00054      591.4529 6.366392 603.0549 6.467117 -11.60199      9.074941 
1 1 1 8  14 13 o 534.5178 4.130011 2859.312       44.15071      2867.813       62.64130      2851.518       62.23749      535.2783 5.851284 533.7573 5.830131 1.521057       8.260021 
1 1 1 8  14 14 o 178.7641 3.818324 319.8660       13.65895      322.7706       20.23338      316.9613       18.34890      179.5685 5.633889 177.9597 5.155354 1.608841       7.636647 
1 1 1 8  14 15 o 214.8003 2.842249 461.6980       12.21371      454.4719       17.02410      468.9242       17.51293      213.1201 3.994015 216.4806 4.044919 -3.360489      5.684499 
1 1 1 8  14 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 17 o 345.4980 3.159862 1195.158       21.83448      1195.158       33.18388      1194.450       28.38766      345.5242 4.801961 345.4717 4.108537 0.5252075E-01  6.319724 
1 1 1 8  14 18 o 115.8825 2.556848 134.3933       5.914155      131.2053       8.983169      137.5813       7.693786      114.5012 3.922740 117.2638 3.280547 -2.762589      5.113695 
1 1 1 8  14 19 o 568.5634 4.698342 3241.875       53.43143      3252.502       81.25941      3231.249       69.42119      569.3712 7.135891 567.7556 6.113651 1.615601       9.396684 
1 1 1 8  14 20 o 175.9468 2.382218 310.2310       8.338477      329.5009       11.11561      290.8903       12.44041      181.4432 3.063111 170.4505 3.649275 10.99269       4.764437 
1 1 1 8  14 21 o 182.0103 2.750724 332.8307       10.17337      369.1742       16.75488      296.4162       11.52651      191.9519 4.364344 172.0686 3.349394 19.88333       5.501449 
1 1 1 8  14 22 o 155.9327 2.319771 243.5657       7.261631      252.1380       11.35648      234.9226       9.046929      158.6709 3.578627 153.1945 2.952758 5.476395       4.639542 
1 1 1 8  14 23 o 402.9153 3.762451 1629.439       30.32174      1635.815       43.46352      1623.063       42.28749      403.6861 5.383331 402.1446 5.257746 1.541473       7.524902 
1 1 1 8  14 24 o 196.3524 2.387749 386.3188       9.401155      396.0954       14.56577      376.4713       11.88074      198.8162 3.663125 193.8886 3.063804 4.927551       4.775497 
1 1 1 8  14 25 o 207.0763 2.311272 429.7468       9.549930      422.8040       15.29548      436.6896       11.43441      205.3377 3.724468 208.8149 2.737929 -3.477219      4.622545 
1 1 1 8  14 26 o 161.7694 2.174869 262.2688       7.037760      262.3397       11.35648      262.1980       8.310139      161.7374 3.510777 161.8013 2.568008 -0.6384277E-01 4.349738 
1 1 1 8  14 27 o 202.1460 2.401805 410.0519       9.677451      390.2861       14.32489      429.8177       13.02134      197.2292 3.631535 207.0627 3.144300 -9.833527      4.803610 
1 1 1 8  14 28 o 45.25648 3.621743 20.70096       3.310595      22.94675       5.259546      18.46225       4.022589      47.68631 5.514733 42.82666 4.696362 4.859657       7.243486 
1 1 1 8  14 29 o 243.3463 2.427893 594.5327       11.86657      612.6691       19.29823      576.4672       13.82190      246.9156 3.907859 239.7771 2.882239 7.138565       4.855786 
1 1 1 8  14 30 o 63.34181 2.746493 40.33216       3.470705      39.06403       5.224123      41.60737       4.570222      62.31665 4.191595 64.36697 3.550131 -2.050316      5.492986 
1 1 1 8  14 31 o 89.56200 2.320488 80.69266       4.184116      87.35210       6.539719      74.03321       5.221290      93.23724 3.507031 85.88674 3.039637 7.350502       4.640976 
1 1 1 8  14 32 o 207.0807 2.448311 431.3763       10.13086      428.4008       16.29439      434.2810       12.02951      206.1925 3.951257 207.9690 2.892141 -1.776520      4.896623 
1 1 1 8  14 33 o 31.55679 5.201421 10.66928       3.231249      9.514507       4.469623      11.82406       4.667280      29.81610 7.497190 33.29747 7.211884 -3.481375      10.40284 
1 1 1 8  14 34 o 93.40366 4.275410 89.47746       7.459997      77.29209       14.18321      101.6628       4.655237      86.14422 8.232244 100.6631 2.312285 -14.51888      8.550819 
1 1 1 8  14 35 o 54.69025 6.914426 32.41875       7.033509      27.72880       13.65895      37.11579       3.371522      48.62807 13.54761 60.75244 2.774804 -12.12437      13.82885 
1 1 1 8  14 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  14 37 o 114.0164 4.121111 135.2434       9.549930      149.6250       16.02518      120.8619       10.40007      119.4388 6.708533 108.5941 4.788507 10.84469       8.242222 
1 1 1 8  14 38 o 26.63236 7.948391 5.294969       8.650196      6.171323       16.79031      4.417905       4.151527      31.92764 13.93804 21.33708 7.644519 10.59056       15.89678 
1 1 1 8  14 39 o 33.30095 7.072790 7.530843       8.650196      0.3151902      16.86115      14.74997       3.846893      28.97480 13.18963 37.62709 5.111866 -8.652292      14.14558 
1 1 1 8  14 40 o 27.05639 8.161312 6.368981       8.147196      6.065764       13.82190      6.672907       8.614774      28.15786 12.45028 25.95491 10.55551 2.202944       16.32262 
1 1 1 8  14 41 o 36.56680 8.556004 19.48951       7.998421      20.50968       13.96358      18.46934       7.814223      35.61014 13.76769 37.52346 10.16226 -1.913315      17.11201 
1 1 1 8  14 42 o 28.08729 8.264127 14.18321       7.962997      26.14187       14.37449      2.220996       6.851437      36.03274 13.96099 20.14184 8.847258 15.89090       16.52825 
1 1 1 8  14 43 o 36.84387 7.409638 21.57236       5.753337      25.05086       8.798972      18.08677       7.410406      39.56650 10.81404 34.12125 10.13249 5.445251       14.81928 
1 1 1 8  15 0  o 202.2389 3.124634 409.3434       12.63170      409.3434       12.63170      409.3434       12.63170      202.2389 3.124634 202.2389 3.124634 0.000000       0.000000 
1 1 1 8  15 1  o 443.7072 3.491460 1969.496       30.98768      1980.123       44.04445      1959.578       43.59104      444.8636 4.950333 442.5509 4.924974 2.312622       6.982920 
1 1 1 8  15 2  o 285.3299 2.556286 814.0111       14.58702      814.7195       20.63012      814.0111       20.63012      285.3920 3.614348 285.2678 3.615921 0.1241455      5.112572 
1 1 1 8  15 3  o 109.1794 2.370346 119.3741       5.180908      127.6630       7.594603      111.0852       7.046261      112.9744 3.361204 105.3844 3.343123 7.590027       4.740692 
1 1 1 8  15 4  o 574.3073 4.359735 3300.677       50.08045      3343.184       71.69532      3258.878       69.94544      577.9716 6.202322 570.6430 6.128652 7.328613       8.719471 
1 1 1 8  15 5  o 367.2853 3.262140 1349.601       23.97401      1341.099       31.30648      1358.102       36.31524      366.1400 4.275206 368.4305 4.928370 -2.290466      6.524279 
1 1 1 8  15 6  o 449.2684 3.821840 2019.796       34.42367      1963.120       43.86025      2077.181       53.06304      442.9493 4.950933 455.5876 5.823582 -12.63834      7.643681 
1 1 1 8  15 7  o 737.8035 6.346699 5455.079       93.65733      5409.029       131.7012      5500.420       133.1889      734.7153 8.962736 740.8918 8.988420 -6.176514      12.69340 
1 1 1 8  15 8  o 291.8441 3.059133 852.2675       17.86007      869.9788       25.93642      834.5562       24.56911      294.8743 4.397877 288.8138 4.253451 6.060486       6.118265 
1 1 1 8  15 9  o 408.8539 3.843747 1672.655       31.42692      1669.821       44.71039      1676.197       44.18614      408.4619 5.473018 409.2458 5.398485 -0.7838135     7.687494 
1 1 1 8  15 10 o 228.8394 2.731794 523.9001       12.51126      529.7094       19.26280      518.0908       15.98267      230.1003 4.185741 227.5786 3.511462 2.521729       5.463588 
1 1 1 8  15 11 o 599.5598 4.951972 3599.644       59.36118      3578.390       89.54830      3620.189       77.92970      597.7646 7.490265 601.3549 6.479509 -3.590332      9.903945 
1 1 1 8  15 12 o 100.8932 3.912795 101.9462       7.821308      95.57014       12.38374      108.3931       9.557014      97.70511 6.337303 104.0813 4.591128 -6.376228      7.825590 
1 1 1 8  15 13 o 512.3942 4.000336 2628.356       40.99810      2650.318       58.43310      2606.394       57.51920      514.5330 5.678267 510.2555 5.636313 4.277435       8.000671 
1 1 1 8  15 14 o 394.3738 3.521453 1557.177       27.79965      1571.346       42.42918      1542.300       35.91851      396.1841 5.354730 392.5635 4.574865 3.620575       7.042906 
1 1 1 8  15 15 o 605.1279 13.04212 3688.908       157.8430      3688.908       157.8430      ?              ?             605.1279 13.04212 ?        ?        ?              ?        
1 1 1 8  15 16 o 439.3665 3.494883 1932.656       30.71138      1943.283       43.66188      1922.030       43.20139      440.5731 4.955123 438.1598 4.929867 2.413300       6.989767 
1 1 1 8  15 17 o 93.46603 2.620575 87.42295       4.897527      88.62732       6.835143      86.21858       7.015798      94.11115 3.631420 92.82092 3.779212 1.290230       5.241150 
1 1 1 8  15 18 o 168.8351 2.217426 285.4352       7.488335      301.9422       10.85348      268.9991       10.32214      173.7104 3.124016 163.9598 3.147766 9.750626       4.434851 
1 1 1 8  15 19 o 236.7642 2.602504 561.3063       12.34832      574.4835       19.11403      548.2000       15.64262      239.5105 3.990228 234.0179 3.342184 5.492661       5.205009 
1 1 1 8  15 20 o 266.6891 2.733399 711.9940       14.57285      708.3809       22.12495      716.2448       18.97234      265.9211 4.160058 267.4571 3.546801 -1.535919      5.466798 
1 1 1 8  15 21 o 18.30330 5.749770 -2.376856      4.244335      -3.781007      6.152903      -0.9734128     5.848978      17.59192 7.997219 19.01467 8.263408 -1.422749      11.49954 
1 1 1 8  15 22 o 315.7575 3.414715 1000.334       21.84157      1051.342       38.40517      950.0338       20.80723      323.5140 5.935627 308.0009 3.377787 15.51306       6.829430 
1 1 1 8  15 23 o 145.8450 2.470216 213.1023       7.212039      216.5029       10.58427      209.7017       9.790804      147.0006 3.600076 144.6893 3.383388 2.311295       4.940431 
1 1 1 8  15 24 o 162.1362 2.574897 263.5441       8.359732      266.1653       13.51017      260.9228       9.854564      162.8826 4.147212 161.3897 3.053034 1.492905       5.149795 
1 1 1 8  15 25 o 141.7320 2.346807 201.5545       6.684242      213.3148       10.39299      189.7942       8.409323      145.8435 3.563062 137.6204 3.055259 8.223053       4.693615 
1 1 1 8  15 26 o 151.0355 2.342781 228.6882       7.068224      225.9253       10.77555      231.5220       9.153197      150.0772 3.590004 151.9939 3.011041 -1.916748      4.685562 
1 1 1 8  15 27 o 128.8036 2.246065 166.4862       5.822765      174.2083       9.443663      158.7640       6.816723      131.7405 3.584190 125.8666 2.707916 5.873924       4.492129 
1 1 1 8  15 28 f 101.5201 2.341538 103.3631       4.757962      104.1424       7.580434      102.6547       5.753337      101.8421 3.721659 101.1980 2.842614 0.6441650      4.683076 
1 1 1 8  15 29 f 133.7553 2.192439 179.5925       5.839768      173.7832       9.181536      185.3310       7.219123      131.5437 3.489918 135.9669 2.654736 -4.423187      4.384877 
1 1 1 8  15 30 o 72.14214 2.730376 52.36167       3.950327      54.11155       6.087018      50.61179       5.035675      73.31558 4.151245 70.96869 3.547815 2.346893       5.460753 
1 1 1 8  15 31 o 179.4352 2.402881 323.5499       8.628942      326.3837       13.33306      320.6453       10.95975      180.1517 3.700509 178.7187 3.066200 1.432999       4.805763 
1 1 1 8  15 32 o 110.0862 5.170865 0.000000       0.000000      ?              ?             123.0581       11.38482      ?        ?        110.0862 5.170865 ?              ?        
1 1 1 8  15 33 o 56.45924 3.325427 32.35499       3.740625      28.95442       5.271589      35.76265       5.307721      53.44694 4.931611 59.47153 4.462405 -6.024593      6.650853 
1 1 1 8  15 34 o 72.88812 2.647400 53.63689       3.860354      54.21782       5.578349      53.04887       5.336767      73.27373 3.806514 72.50251 3.680402 0.7712173      5.294800 
1 1 1 8  15 35 o 62.14323 8.369255 43.39267       9.868733      35.56428       19.19904      51.21398       4.593602      53.02687 16.42526 71.25957 3.223147 -18.23270      16.73851 
1 1 1 8  15 36 o 107.1003 5.488238 121.4995       11.87365      130.3551       23.37182      112.6438       4.230165      108.2696 10.79335 105.9309 1.996662 2.338638       10.97648 
1 1 1 8  15 37 o 87.06494 6.997671 84.23491       10.40716      70.69640       19.94292      97.83719       5.941077      75.73611 13.66584 98.39377 3.019031 -22.65765      13.99534 
1 1 1 8  15 38 o 51.64801 6.960386 31.28523       6.811764      18.56144       12.51126      44.00194       5.389193      37.81877 13.29857 65.47725 4.115317 -27.65848      13.92077 
1 1 1 8  15 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  15 41 f 31.46748 7.516379 13.70146       5.947453      9.195704       8.763549      18.20721       8.040927      26.83055 10.75259 36.10440 10.50550 -9.273842      15.03276 
1 1 1 8  15 42 o 43.80470 7.267448 27.75714       6.276883      30.71138       9.323226      24.80290       8.409323      46.17364 10.35292 41.43576 10.20197 4.737877       14.53490 
1 1 1 8  16 0  o 415.0370 4.712574 1723.663       39.10654      1723.663       39.10654      1723.663       39.10654      415.0370 4.712574 415.0370 4.712574 0.000000       0.000000 
1 1 1 8  16 1  f 451.2147 3.566604 2036.799       32.18496      2031.131       45.41176      2043.175       45.62430      450.5480 5.039614 451.8813 5.048261 -1.333344      7.133208 
1 1 1 8  16 2  o 198.3706 2.272804 393.7575       9.018591      409.2017       13.00009      378.3133       12.50417      202.2624 3.213669 194.4788 3.214791 7.783646       4.545608 
1 1 1 8  16 3  o 179.5581 2.251375 322.4872       8.083434      328.7216       11.60444      316.3237       11.26438      181.2836 3.200632 177.8326 3.167131 3.450974       4.502751 
1 1 1 8  16 4  o 291.6979 2.648165 851.5590       15.45133      845.1830       21.74947      857.2267       21.94784      290.6662 3.741313 292.7296 3.748824 -2.063416      5.296329 
1 1 1 8  16 5  o 221.6045 2.365755 491.2404       10.48509      492.8699       14.99793      489.6110       14.65787      221.9713 3.378347 221.2376 3.312698 0.7337036      4.731511 
1 1 1 8  16 6  o 207.8795 2.372569 432.3681       9.861650      419.8285       13.78647      444.9077       14.11236      204.8642 3.364782 210.8948 3.345829 -6.030594      4.745138 
1 1 1 8  16 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 8  o 277.0637 2.675005 767.9618       14.82081      758.7519       20.77181      777.1716       21.15437      275.4026 3.771171 278.7248 3.794849 -3.322174      5.350010 
1 1 1 8  16 9  o 785.4220 6.318963 6181.242       99.25409      6156.446       129.5758      6206.746       150.4752      783.9409 8.264388 786.9031 9.561226 -2.962219      12.63793 
1 1 1 8  16 10 o 158.4159 2.872738 251.0753       9.096521      253.7674       11.93033      248.3832       13.72979      159.2705 3.745304 157.5612 4.356972 1.709290       5.745477 
1 1 1 8  16 11 o 211.2914 3.078569 446.7497       13.00717      443.1366       19.17779      450.2919       17.56960      210.4392 4.556610 212.1435 4.140972 -1.704269      6.157138 
1 1 1 8  16 12 f 445.0926 4.157862 1984.373       37.03077      1904.318       50.83850      2064.428       53.86359      436.1157 5.828557 454.0695 5.931205 -17.95380      8.315724 
1 1 1 8  16 13 o 77.98619 4.111569 61.14647       6.428492      68.93236       9.691620      53.36768       8.451830      82.96849 5.840543 73.00389 5.788616 9.964600       8.223139 
1 1 1 8  16 14 o 148.2684 2.929333 219.9743       8.685618      218.1323       12.24913      221.8871       12.31998      147.6356 4.148434 148.9012 4.136964 -1.265549      5.858666 
1 1 1 8  16 15 o 390.0928 3.491328 1523.171       27.26122      1540.883       41.70655      1506.168       35.12504      392.2793 5.315927 387.9063 4.527516 4.372986       6.982656 
1 1 1 8  16 16 o 265.0242 2.787787 703.0676       14.76414      694.6370       22.42958      711.2856       19.19904      263.4374 4.257099 266.6109 3.600574 -3.173431      5.575574 
1 1 1 8  16 17 o 200.4293 2.306710 402.4006       9.252379      427.6215       13.53143      377.1797       12.62461      206.7161 3.272950 194.1425 3.251377 12.57353       4.613421 
1 1 1 8  16 18 o 254.7545 2.476111 649.9337       12.61753      670.8330       18.17179      628.9635       17.51293      258.8580 3.509991 250.6510 3.493488 8.207016       4.952221 
1 1 1 8  16 19 o 120.7787 2.314297 146.0827       5.591810      143.1781       7.736294      148.9166       8.076350      119.5937 3.234407 121.9637 3.310966 -2.369965      4.628594 
1 1 1 8  16 20 o 201.9464 2.277061 408.3516       9.202788      399.1417       12.70254      417.5615       13.31181      199.6716 3.180858 204.2211 3.259166 -4.549500      4.554121 
1 1 1 8  16 21 o 263.0693 3.074671 693.7159       16.18104      694.7786       26.42525      692.6533       18.67479      263.1659 5.020645 262.9727 3.550708 0.1931458      6.149342 
1 1 1 8  16 22 o 179.7786 2.487403 323.7625       8.954830      328.9342       13.82898      318.6616       11.38482      181.1764 3.816441 178.3808 3.191156 2.795578       4.974806 
1 1 1 8  16 23 o 189.2899 2.471781 359.1142       9.337394      350.1169       14.31781      368.1824       11.97992      186.8675 3.831007 191.7124 3.124450 -4.844971      4.943562 
1 1 1 8  16 24 o 70.89505 5.039148 52.71590       8.097604      71.97870       15.49384      33.45309       4.709079      84.05717 9.216251 57.73293 4.078330 26.32423       10.07830 
1 1 1 8  16 25 o 182.8329 2.323428 335.1685       8.501422      337.1522       13.71563      333.1140       10.05293      183.3149 3.741002 182.3509 2.756480 0.9640045      4.646857 
1 1 1 8  16 26 o 92.70210 2.688171 86.36028       5.002378      91.46112       7.644195      81.25941       6.453995      95.42171 4.005480 89.98250 3.586251 5.439209       5.376343 
1 1 1 8  16 27 o 66.73079 3.325693 44.85917       4.427824      42.08204       6.354104      47.64338       6.168490      64.64087 4.914928 68.82071 4.481565 -4.179840      6.651387 
1 1 1 8  16 28 o 181.3925 2.558479 330.5636       9.280719      328.7216       13.53851      332.4056       12.69546      180.8577 3.742864 181.9272 3.489158 -1.069550      5.116958 
1 1 1 8  16 29 o 22.96084 6.112803 3.736375       3.922698      1.814345       5.805054      5.658404       5.277966      21.16506 8.645627 24.75661 8.643990 -3.591545      12.22561 
1 1 1 8  16 30 o 66.02321 3.401959 44.27824       4.536217      51.46902       7.134109      37.09454       5.602437      71.39387 4.996304 60.65255 4.618468 10.74132       6.803918 
1 1 1 8  16 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 32 o 59.25915 3.533343 35.59262       4.186950      35.65638       6.497920      35.52885       5.282925      59.23096 5.485240 59.28735 4.455357 -0.5638885E-01 7.066687 
1 1 1 8  16 33 o 24.01705 5.672617 5.402653       3.346726      2.972664       4.922323      7.828392       4.536217      20.89116 8.154134 27.14294 7.888247 -6.251787      11.34523 
1 1 1 8  16 34 o 35.86225 4.795910 13.71563       3.315554      14.69329       4.808971      12.73088       4.565263      37.19027 6.710795 34.53423 6.853339 2.656036       9.591821 
1 1 1 8  16 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  16 36 o 65.85174 6.291791 47.45210       7.275800      40.78557       13.77939      54.12572       4.665155      58.54073 12.17300 73.16274 3.188204 -14.62201      12.58358 
1 1 1 8  16 37 o 118.4977 3.885229 146.3661       9.202788      150.2626       16.95325      142.4697       7.162447      118.3920 7.159794 118.6034 3.019496 -0.2113419     7.770457 
1 1 1 8  16 38 o 67.22324 6.243759 50.66847       7.729208      49.44285       14.48784      51.88701       5.406196      63.20796 11.89707 71.23851 3.794433 -8.030548      12.48752 
1 1 1 8  16 39 o 38.36651 8.181341 22.33040       8.225125      31.93701       15.90474      12.71671       4.211746      43.18366 15.01224 33.54937 6.509237 9.634293       16.36268 
1 1 1 8  16 40 o 101.2911 4.771783 113.9899       9.429493      115.6902       17.56960      112.2896       6.866314      98.03593 8.960798 104.5463 3.283864 -6.510330      9.543567 
1 1 1 8  16 41 o 30.34739 8.517972 15.60011       7.991336      20.48843       13.78647      10.71888       8.090520      33.08925 13.39264 27.60553 10.52904 5.483721       17.03594 
1 1 1 8  16 42 o 21.84729 7.099963 3.542259       7.162447      4.607062       11.05893      2.478164       9.103605      22.74101 10.47378 20.95357 9.588424 1.787443       14.19993 
1 1 1 8  17 0  o 24.46358 11.81304 8.848563       6.667239      8.848563       6.667239      8.848563       6.667239      24.46358 11.81304 24.46358 11.81304 0.000000       0.000000 
1 1 1 8  17 1  o 488.3762 3.850129 2386.774       37.60462      2372.605       52.89301      2401.652       53.47394      486.8915 5.431704 489.8609 5.458074 -2.969360      7.700258 
1 1 1 8  17 2  o 169.0768 2.480507 286.0020       8.395153      294.9285       12.10036      277.1463       11.62569      171.7050 3.523589 166.4487 3.492275 5.256271       4.961015 
1 1 1 8  17 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  17 4  o 360.9038 3.110263 1303.551       22.45084      1302.134       31.72447      1304.260       31.77406      360.7567 4.396934 361.0509 4.400219 -0.2941589     6.220527 
1 1 1 8  17 5  o 26.44423 7.013410 4.692076       5.161071      1.563553       7.318307      7.821308       7.282885      23.45286 9.664869 29.43561 10.16573 -5.982746      14.02682 
1 1 1 8  17 6  o 137.3522 2.742721 188.7316       7.537927      187.4563       10.64095      190.0068       10.66928      136.8880 3.886734 137.8163 3.870835 -0.9282837     5.485441 
1 1 1 8  17 7  o 229.5878 2.663631 527.3007       12.22788      526.9465       17.32165      527.6549       17.27205      229.5106 3.773605 229.6651 3.760270 -0.1545258     5.327262 
1 1 1 8  17 8  o 416.0078 3.473479 1731.456       28.89775      1721.538       40.75723      1742.083       40.98394      414.7739 4.913187 417.2416 4.911295 -2.467773      6.946959 
1 1 1 8  17 9  o 357.8537 3.143905 1281.589       22.50751      1312.761       32.50377      1250.417       31.14354      362.2043 4.486939 353.5031 4.404988 8.701141       6.287809 
1 1 1 8  17 10 o 182.3360 2.515308 332.6181       9.174451      330.7053       12.80172      334.5309       13.14178      181.8126 3.520582 182.8595 3.593410 -1.046906      5.030616 
1 1 1 8  17 11 o 460.6777 4.013671 2125.355       37.01661      2150.860       56.68323      2099.143       47.62213      463.4340 6.115566 457.9214 5.199814 5.512573       8.027342 
1 1 1 8  17 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  17 13 o 235.0193 2.848020 552.7341       13.38265      547.7750       19.04318      557.7640       18.81648      233.9556 4.069829 236.0829 3.985142 -2.127304      5.696039 
1 1 1 8  17 14 o 178.0364 2.937890 317.3864       10.37882      331.4846       12.04368      303.2882       16.90366      182.0194 3.308350 174.0533 4.855885 7.966080       5.875781 
1 1 1 8  17 15 o 199.3801 2.789733 398.5750       10.99517      432.3681       13.80772      364.7818       17.11619      207.8722 3.321206 190.8881 4.483306 16.98409       5.579467 
1 1 1 8  17 16 o 107.7321 3.053768 116.2569       6.579392      115.6193       9.684536      116.8237       8.905238      107.4465 4.506678 108.0178 4.122117 -0.5712891     6.107536 
1 1 1 8  17 17 o 31.06768 6.694185 9.585353       4.626190      8.048012       7.119940      11.11561       5.912030      29.46003 10.05959 32.67534 8.834771 -3.215315      13.38837 
1 1 1 8  17 18 o 177.4305 2.521487 315.2610       8.947746      315.6153       13.67312      314.8360       11.54776      177.5210 3.851128 177.3400 3.255826 0.1809387      5.042974 
1 1 1 8  17 19 f 198.6533 3.167259 395.6703       12.65295      410.3353       20.65137      381.0054       14.62953      202.2685 5.104939 195.0380 3.750430 7.230484       6.334519 
1 1 1 8  17 20 o 210.6712 2.576614 444.6243       10.86765      449.9377       16.69112      439.2401       13.92108      211.9087 3.938282 209.4337 3.323505 2.475021       5.153228 
1 1 1 8  17 21 o 216.5061 2.530171 469.7744       10.98100      487.5565       16.62736      451.9922       14.34615      220.5837 3.768947 212.4286 3.376699 8.155106       5.060342 
1 1 1 8  17 22 o 21.62118 6.017035 2.760128       3.822805      2.318763       4.981833      3.201494       5.799386      20.56644 8.153647 22.67591 8.850811 -2.109463      12.03407 
1 1 1 8  17 23 o 115.5531 2.860437 133.9682       6.611272      132.2680       9.365732      135.7394       9.330310      114.8012 4.079108 116.3049 4.011143 -1.503639      5.720873 
1 1 1 8  17 24 o 144.5814 2.985512 210.6936       8.742295      236.1270       14.09111      185.2601       10.35756      153.2842 4.596399 135.8786 3.811331 17.40561       5.971024 
1 1 1 8  17 25 o 235.6213 3.299634 558.4725       15.59302      565.9113       26.99201      550.9630       15.60719      236.8635 5.697800 234.3790 3.329477 2.484451       6.599268 
1 1 1 8  17 26 o 219.8784 4.384598 489.4693       18.71730      453.3383       34.28907      525.6712       15.03335      210.8494 8.131176 228.9075 3.283716 -18.05817      8.769197 
1 1 1 8  17 27 o 153.7026 2.679028 237.4022       8.225125      236.9063       13.46767      237.8272       9.464915      153.4292 4.388886 153.9759 3.073505 -0.5467224     5.358055 
1 1 1 8  17 28 o 139.7753 2.767334 196.3828       7.729208      195.3910       11.78155      197.3747       10.01751      139.3624 4.226948 140.1882 3.572879 -0.8257599     5.534668 
1 1 1 8  17 29 o 24.67835 6.353767 5.217747       4.120355      7.190785       6.281842      3.244709       5.333934      27.44066 9.444685 21.91603 8.501725 5.524632       12.70753 
1 1 1 8  17 30 f 146.6560 2.760609 216.7154       8.140111      226.5629       12.87965      206.8679       9.946663      149.8814 4.296616 143.4307 3.467411 6.450684       5.521218 
1 1 1 8  17 31 o 157.7234 2.596220 250.6502       8.203872      257.3097       12.60336      244.0616       10.51342      159.7165 3.945540 155.7304 3.375521 3.986099       5.192440 
1 1 1 8  17 32 o 98.42323 2.596101 97.69550       5.083141      92.59465       7.743378      102.7963       6.586476      95.77051 4.042674 101.0759 3.258182 -5.305435      5.192202 
1 1 1 8  17 33 o 26.28697 5.868183 7.162447       3.522423      9.344479       5.180200      4.981124       4.774965      29.43861 8.389286 23.13534 8.207446 6.303274       11.73637 
1 1 1 8  17 34 o 27.83896 5.715817 7.941744       3.744876      13.27639       5.319765      2.608519       5.271589      34.87777 7.820454 20.80016 8.338031 14.07760       11.43163 
1 1 1 8  17 35 o 113.2255 2.331263 129.8592       5.336059      142.6113       8.572267      117.1071       6.356230      118.6822 3.611437 107.7689 2.949010 10.91335       4.662525 
1 1 1 8  17 36 o 75.33129 2.522365 58.44019       3.825640      72.33293       6.006254      44.53328       4.738834      84.42455 3.557172 66.23803 3.577125 18.18652       5.044730 
1 1 1 8  17 37 o 29.37017 8.165516 9.535762       8.671450      12.72379       16.87532      6.344185       3.983624      34.69459 14.51283 24.04576 7.488685 10.64883       16.33103 
1 1 1 8  17 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  17 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  17 40 o 73.51729 4.616509 60.87017       6.130233      48.50770       10.76847      73.25391       5.868106      62.99154 8.547550 84.04304 3.491132 -21.05150      9.233018 
1 1 1 8  17 41 o 32.69888 8.448852 18.60394       7.559181      19.92166       9.202788      17.28622       12.00117      34.90556 11.43672 30.49219 12.43920 4.413376       16.89770 
1 1 1 8  18 0  o 417.7389 4.929884 1746.334       41.17522      1746.334       41.17522      1746.334       41.17522      417.7389 4.929884 417.7389 4.929884 0.000000       0.000000 
1 1 1 8  18 1  o 155.8929 2.750440 243.1406       8.572267      238.7483       12.17120      247.5331       12.07910      154.4838 3.939312 157.3019 3.839466 -2.818024      5.500880 
1 1 1 8  18 2  o 243.9792 2.727721 595.5246       13.31181      586.3147       18.65354      604.7344       18.99359      242.0927 3.852561 245.8658 3.862593 -3.773148      5.455442 
1 1 1 8  18 3  o 195.2773 2.723707 381.5721       10.64095      369.8118       14.79956      393.3325       15.28839      192.2673 3.848693 198.2872 3.855112 -6.019867      5.447414 
1 1 1 8  18 4  o 125.4604 3.359288 157.7014       8.416408      146.4370       11.78864      168.9658       12.02243      120.9719 4.872468 129.9489 4.625831 -8.976913      6.718575 
1 1 1 8  18 5  o 140.9937 3.115863 198.9332       8.784801      194.1158       12.22788      203.7507       12.62461      139.2865 4.389469 142.7008 4.423455 -3.414261      6.231725 
1 1 1 8  18 6  o 274.4733 2.836206 753.7927       15.57177      741.0406       21.77072      766.5449       22.26664      272.1518 3.999739 276.7947 4.022231 -4.642914      5.672412 
1 1 1 8  18 7  o 292.2377 3.058665 854.3929       17.91675      831.0139       23.01760      878.4802       27.45959      288.1937 3.993425 296.2817 4.634034 -8.088043      6.117330 
1 1 1 8  18 8  o 331.3137 2.985052 1098.100       19.77997      1111.561       28.23180      1085.348       27.71463      333.2896 4.235326 329.3378 4.207631 3.951813       5.970104 
1 1 1 8  18 9  o 245.7631 2.612513 604.4510       12.84423      622.0207       18.50476      586.8814       17.81756      249.3351 3.710822 242.1911 3.678410 7.143967       5.225026 
1 1 1 8  18 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  18 11 o 107.7003 3.167334 116.1152       6.804679      113.5648       10.60552      118.6657       8.529759      106.5056 4.978856 108.8951 3.916504 -2.389442      6.334667 
1 1 1 8  18 12 o 201.8075 2.418296 407.5015       9.762465      398.6458       13.58102      416.4279       14.02734      199.6064 3.401950 204.0086 3.437931 -4.402115      4.836593 
1 1 1 8  18 13 o 253.0679 2.769667 640.9363       14.01318      637.8192       21.19688      644.0535       18.33473      252.4378 4.198435 253.6980 3.613496 -1.260132      5.539333 
1 1 1 8  18 14 o 355.0578 3.045778 1261.753       21.62903      1265.295       30.65471      1258.919       30.52010      355.5058 4.311422 354.6097 4.303337 0.8960571      6.091557 
1 1 1 8  18 15 o 186.3250 2.366744 347.4956       8.820225      348.2749       12.37665      346.7163       12.56793      186.5354 3.317507 186.1145 3.376398 0.4209137      4.733489 
1 1 1 8  18 16 o 86.64883 3.163455 75.30843       5.447994      80.83435       7.233293      69.81792       8.147196      89.83717 4.025780 83.46051 4.880869 6.376656       6.326910 
1 1 1 8  18 17 o 158.5041 2.497546 251.7838       7.885069      265.4569       10.47800      238.0398       11.78155      162.8404 3.217261 154.1678 3.821017 8.672623       4.995092 
1 1 1 8  18 18 o 36.51145 5.751046 14.33198       4.517088      5.066138       5.618022      23.59144       7.073891      24.60147 8.884950 48.42143 7.304504 -23.81996      11.50209 
1 1 1 8  18 19 o 92.91136 2.980729 86.64365       5.570556      80.19674       6.989584      93.09056       8.678535      89.46487 3.906329 96.35786 4.503284 -6.892982      5.961457 
1 1 1 8  18 20 o 73.52818 3.814051 54.28866       5.609521      54.89793       8.147196      53.68648       7.715039      73.93169 5.509948 73.12468 5.275264 0.8070145      7.628102 
1 1 1 8  18 21 o 114.4894 2.950355 131.4886       6.752962      129.7175       9.705790      133.2598       9.394071      113.7102 4.267775 115.2687 4.074859 -1.558510      5.900710 
1 1 1 8  18 22 o 141.8962 2.989175 202.1213       8.480167      202.2630       13.06385      201.9796       10.82514      141.8953 4.603341 141.8971 3.814435 -0.1754761E-02 5.978350 
1 1 1 8  18 23 o 84.31461 3.543186 71.55363       5.991377      74.95419       9.096521      68.14597       7.800055      86.29520 5.270584 82.33403 4.736835 3.961166       7.086371 
1 1 1 8  18 24 o 109.5877 3.097849 121.0036       6.847895      132.3388       10.83931      109.5975       8.373900      114.7052 4.724857 104.4702 4.007792 10.23494       6.195698 
1 1 1 8  18 25 o 36.46854 6.035646 14.11944       4.347060      16.20229       5.931867      12.02951       6.355521      39.23295 7.837052 33.70413 9.181324 5.528820       12.07129 
1 1 1 8  18 26 o 136.3763 3.380106 187.3147       9.209873      187.3855       16.57069      187.2438       8.033843      136.1005 6.087665 136.6521 2.939524 -0.5515747     6.760212 
1 1 1 8  18 27 o 174.4510 3.173081 306.6179       11.20771      320.9286       20.09169      292.3072       9.946663      178.1795 5.638048 170.7225 2.913108 7.456970       6.346163 
1 1 1 8  18 28 o 111.9131 3.796272 126.7420       8.324308      119.5158       14.89874      133.9682       7.431659      108.3172 6.877367 115.5090 3.216917 -7.191864      7.592545 
1 1 1 8  18 29 o 125.2354 2.652198 157.7722       6.631817      156.0011       10.45675      159.5433       8.161365      124.4384 4.201576 126.0324 3.237804 -1.593971      5.304396 
1 1 1 8  18 30 o 127.6212 5.892608 166.1319       15.04043      166.1319       15.04043      ?              ?             127.6212 5.892608 ?        ?        ?              ?        
1 1 1 8  18 31 o 132.9531 2.740859 178.7424       7.374983      198.0831       11.93033      159.4725       8.685618      140.0388 4.259651 125.8674 3.450306 14.17143       5.481718 
1 1 1 8  18 32 o 34.20522 6.154507 12.74505       4.240792      13.02134       6.462497      12.46167       5.493335      34.50848 9.194995 33.90196 8.183147 0.6065178      12.30901 
1 1 1 8  18 33 o 191.2612 3.204052 0.000000       0.000000      ?              ?             368.7492       12.25622      ?        ?        191.2612 3.204052 ?              ?        
1 1 1 8  18 34 o 40.43374 9.946118 0.000000       0.000000      ?              ?             18.62520       7.998421      ?        ?        40.43374 9.946118 ?              ?        
1 1 1 8  18 35 o 57.16693 3.321495 33.53102       3.788800      31.78115       5.477749      35.28090       5.235459      55.60378 4.925699 58.73009 4.457220 -3.126320      6.642990 
1 1 1 8  18 36 o 74.52747 2.674143 56.94535       3.977957      63.81734       5.795135      50.07337       5.452245      79.08904 3.663678 69.96588 3.896360 9.123161       5.348285 
1 1 1 8  18 37 o 35.19489 4.775501 14.15487       3.233374      19.90041       4.502919      8.409323       4.641777      43.45643 5.180958 26.93334 8.023671 16.52310       9.551002 
1 1 1 8  18 38 o 15.99871 5.616916 -5.116439      5.610230      -5.005212      10.66220      -5.228374      3.484166      21.22533 9.949491 10.77209 5.215995 10.45324       11.23383 
1 1 1 8  18 39 o 95.05631 3.687825 96.63282       7.004463      99.96254       12.44750      93.37395       6.419991      94.86459 6.560666 95.24803 3.370143 -0.3834381     7.375649 
1 1 1 8  18 40 o 37.30896 6.136063 17.70421       5.056929      15.84807       9.429493      19.56035       3.663404      31.71898 11.50538 42.89893 4.269808 -11.17995      12.27213 
1 1 1 8  18 41 o 16.48658 5.146397 -1.637232      4.559595      -5.691702      8.713958      2.417238       2.686449      17.23346 8.328027 15.73970 6.048600 1.493762       10.29279 
1 1 1 8  19 0  o 459.1987 5.290293 2110.478       48.57145      2110.478       48.57145      2110.478       48.57145      459.1987 5.290293 459.1987 5.290293 0.000000       0.000000 
1 1 1 8  19 1  o 151.5604 2.890509 229.8926       8.763549      237.0480       12.57502      222.7372       12.20662      153.9196 4.084930 149.2011 4.090662 4.718552       5.781018 
1 1 1 8  19 2  o 329.4452 3.032032 1086.057       19.97834      1076.847       28.05469      1095.266       28.45142      328.0489 4.275992 330.8415 4.299857 -2.792633      6.064065 
1 1 1 8  19 3  o 425.1234 3.531461 1809.386       30.03127      1779.631       41.89075      1838.432       43.03844      421.6706 4.967237 428.5761 5.021097 -6.905518      7.062922 
1 1 1 8  19 4  o 560.6882 4.371540 3148.360       49.02486      3064.762       67.67840      3232.666       70.98687      553.2206 6.116764 568.1558 6.247131 -14.93518      8.743080 
1 1 1 8  19 5  o 232.9241 2.656527 542.8866       12.37665      557.0556       17.81048      528.7884       17.19412      235.9559 3.774112 229.8924 3.739603 6.063492       5.313055 
1 1 1 8  19 6  o 31.82519 7.315220 9.812057       5.333934      9.245295       7.474166      10.37882       7.608772      31.14278 10.30678 32.50760 10.38365 -1.364822      14.63044 
1 1 1 8  19 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  19 8  o 134.9894 2.641300 182.3555       7.127024      186.1103       10.20170      178.6007       9.967916      136.3792 3.740199 133.5996 3.730519 2.779556       5.282600 
1 1 1 8  19 9  o 196.9272 2.489089 388.1607       9.804973      375.8337       13.62353      400.4170       14.10528      193.8083 3.514691 200.0461 3.525506 -6.237762      4.978177 
1 1 1 8  19 10 o 200.6230 2.928046 403.1799       11.84531      380.5095       13.63770      425.7795       19.37616      195.0099 3.496668 206.2362 4.697565 -11.22630      5.856091 
1 1 1 8  19 11 o 363.9903 3.121359 1326.222       22.72713      1313.470       31.80240      1338.974       32.46835      362.2423 4.389659 365.7383 4.438740 -3.496033      6.242717 
1 1 1 8  19 12 o 350.2620 3.043888 1228.455       21.33148      1190.907       29.35824      1266.003       30.95934      344.9121 4.255901 355.6119 4.352968 -10.69977      6.087777 
1 1 1 8  19 13 o 247.1276 2.784507 611.4647       13.78647      599.4919       17.60503      623.5084       21.21813      244.7250 3.596900 249.5303 4.251615 -4.805237      5.569014 
1 1 1 8  19 14 o 79.87041 3.233727 64.00153       5.175949      59.36826       6.916615      68.63481       7.700871      76.97829 4.492575 82.76252 4.652390 -5.784225      6.467454 
1 1 1 8  19 15 f 186.2653 2.399065 347.3539       8.940661      344.5909       12.42624      350.1169       12.85132      185.5272 3.348901 187.0033 3.436120 -1.476105      4.798130 
1 1 1 8  19 16 o 156.5325 2.575489 245.5494       8.026759      259.9310       10.71888      231.2387       11.95158      161.1271 3.326217 151.9380 3.933047 9.189163       5.150978 
1 1 1 8  19 17 o 229.2332 2.659017 526.3796       12.17829      536.1563       16.19521      516.6739       18.18596      231.3803 3.499694 227.0860 4.004200 4.294296       5.318033 
1 1 1 8  19 18 o 74.28244 3.692625 55.37967       5.491918      54.23198       7.325392      56.53445       8.182618      73.52228 4.981750 75.04261 5.451981 -1.520332      7.385251 
1 1 1 8  19 19 o 146.9914 2.703308 216.5029       7.948828      214.4483       10.86057      218.6282       11.61152      146.2911 3.711970 147.6917 3.931002 -1.400528      5.406616 
1 1 1 8  19 20 o 59.23631 4.851592 35.56428       5.608813      40.62971       6.944952      30.49885       8.806056      63.56842 5.462581 54.90420 8.019474 8.664223       9.703183 
1 1 1 8  19 21 o 95.40918 3.096135 91.74451       5.863147      102.2296       8.125941      81.18858       8.458915      100.9304 4.025517 89.88793 4.705256 11.04250       6.192271 
1 1 1 8  19 22 o 151.4978 2.857524 230.5302       8.728126      219.6909       9.734127      241.3695       14.48784      148.0320 3.287847 154.9636 4.674595 -6.931625      5.715048 
1 1 1 8  19 23 o 57.70589 4.547945 33.98443       5.195786      40.70764       7.537927      27.26831       7.155363      63.51239 5.934217 51.89938 6.893496 11.61301       9.095890 
1 1 1 8  19 24 o 137.7607 2.903783 190.7152       7.998421      193.9741       11.18645      187.5272       11.43441      138.9382 4.025694 136.5831 4.185882 2.355118       5.807565 
1 1 1 8  19 25 o 97.67251 3.099526 95.99522       6.066473      99.60831       9.089437      92.38211       8.033843      99.48670 4.568167 95.85831 4.190478 3.628387       6.199053 
1 1 1 8  19 26 o 62.45800 4.232399 39.84333       5.197911      32.29832       7.459997      47.39542       7.240376      56.40385 6.613021 68.51215 5.284009 -12.10830      8.464797 
1 1 1 8  19 27 o 49.96601 5.206986 25.57511       5.180200      22.59253       7.275800      28.55769       7.374983      46.98845 7.742115 52.94357 6.964946 -5.955120      10.41397 
1 1 1 8  19 28 o 68.43372 4.037822 47.45210       5.500420      46.29024       8.876901      48.61396       6.499337      67.45006 6.580351 69.41737 4.681347 -1.967316      8.075644 
1 1 1 8  19 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  19 30 o 39.58286 8.976633 14.84206       10.07418      13.56685       19.20613      16.11019       6.094102      40.39825 16.01155 38.76747 8.120967 1.630779       17.95327 
1 1 1 8  19 31 o 47.62842 4.958159 23.44267       4.750169      25.58928       7.325392      21.30314       6.045928      49.73542 7.364360 45.52142 6.640751 4.214008       9.916319 
1 1 1 8  19 32 o 28.69845 6.466479 8.671450       4.313055      12.19954       6.594269      5.144068       5.561347      33.33831 9.454063 24.05860 8.825082 9.279715       12.93296 
1 1 1 8  19 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  19 34 o 88.83029 2.742394 80.19674       4.868481      78.28393       7.098687      82.03871       6.660863      87.72916 4.045797 89.93143 3.703301 -2.202278      5.484789 
1 1 1 8  19 35 o 28.24022 5.690982 8.919409       3.401277      10.74013       5.008046      7.105771       4.604937      30.93695 8.026681 25.54348 8.069789 5.393469       11.38196 
1 1 1 8  19 36 o 17.47799 5.291873 0.1363770      3.370105      -1.666987      4.891151      1.939741       4.636817      16.08542 7.239243 18.87054 7.720688 -2.785120      10.58375 
1 1 1 8  19 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  19 38 o 34.93028 3.976612 13.24096       2.777839      13.17012       3.933325      13.31181       3.924114      34.82538 5.647209 35.03518 5.600250 -0.2097931     7.953224 
1 1 1 8  19 39 o 56.27579 5.447216 37.10870       5.313388      32.75172       10.01042      41.45860       3.558553      48.93898 10.52925 63.61260 2.797050 -14.67363      10.89443 
1 1 1 8  19 40 o 22.15368 6.445560 7.076016       4.858562      11.57610       9.039845      2.576639       3.566346      27.25082 10.92088 17.05653 6.849474 10.19429       12.89112 
1 1 1 8  20 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  20 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  20 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  20 3  o 79.20625 4.233404 63.36392       6.760046      51.84450       8.430575      74.88335       10.57010      71.94862 5.858748 86.46387 6.112438 -14.51525      8.466807 
1 1 1 8  20 4  o 209.7423 2.762163 440.3736       11.55485      424.0084       17.22246      456.7389       15.41591      205.8331 4.183599 213.6515 3.607723 -7.818451      5.524325 
1 1 1 8  20 5  o 242.9246 2.633450 590.4946       12.79464      582.4890       18.02301      598.5709       18.16470      241.2702 3.735027 244.5790 3.713463 -3.308838      5.266900 
1 1 1 8  20 6  o 209.6344 2.524072 439.8069       10.58427      451.5672       15.16087      428.0466       14.77122      212.4377 3.568310 206.8310 3.570843 5.606659       5.048143 
1 1 1 8  20 7  o 244.7685 2.591798 599.7753       12.69546      625.5630       18.42683      573.9877       17.46334      250.0321 3.684893 239.5050 3.645715 10.52716       5.183597 
1 1 1 8  20 8  o 361.0088 3.118272 1304.968       22.52168      1281.589       31.37733      1327.639       32.30540      357.8249 4.384453 364.1927 4.435206 -6.367859      6.236544 
1 1 1 8  20 9  o 115.9599 2.767374 134.6767       6.417156      127.3088       8.869816      142.0446       9.280719      112.7851 3.932175 119.1347 3.895052 -6.349579      5.534748 
1 1 1 8  20 10 o 292.6708 3.034187 857.2267       17.78214      870.6873       27.30373      844.4745       22.79089      294.8802 4.629630 290.4613 3.923223 4.418915       6.068374 
1 1 1 8  20 11 o 144.8717 2.531791 210.1268       7.339560      204.1758       10.09544      216.0778       10.65512      142.8217 3.534280 146.9218 3.626118 -4.100082      5.063583 
1 1 1 8  20 12 f 430.5781 3.820381 1858.978       32.88633      1846.934       49.42868      1871.021       43.38559      429.1046 5.759515 432.0517 5.020879 -2.947144      7.640762 
1 1 1 8  20 13 o 140.2966 2.857309 197.4455       7.955913      211.8271       10.32214      182.9931       12.10744      145.4523 3.548292 135.1409 4.479562 10.31136       5.714617 
1 1 1 8  20 14 o 179.8694 3.069291 324.4001       10.98809      340.3402       14.31781      308.3891       16.67695      184.3370 3.883597 175.4018 4.753930 8.935211       6.138581 
1 1 1 8  20 15 f 223.9897 2.843727 502.6465       12.73796      500.3795       17.84590      504.9136       18.18596      223.4875 3.992594 224.4918 4.050472 -1.004257      5.687454 
1 1 1 8  20 16 o 131.0740 2.908005 172.2955       7.608772      182.9222       10.75430      161.7395       10.77555      135.1145 3.979697 127.0336 4.241223 8.080978       5.816009 
1 1 1 8  20 17 o 78.78178 3.610172 62.41460       5.707288      56.78949       7.459997      68.03971       8.643111      75.23241 4.957968 82.33117 5.248991 -7.098763      7.220344 
1 1 1 8  20 18 o 68.70824 3.597006 47.49461       4.913821      51.75949       6.711164      43.22973       7.176617      71.82109 4.672140 65.59539 5.470367 6.225700       7.194012 
1 1 1 8  20 19 o 190.8300 2.427812 364.9944       9.266549      368.4658       13.03551      361.5229       13.17012      191.7417 3.399237 189.9182 3.467314 1.823547       4.855623 
1 1 1 8  20 20 o 52.31811 4.324039 27.62962       4.528424      25.83724       6.152195      29.42200       6.647403      50.62205 6.076597 54.01416 6.153389 -3.392109      8.648077 
1 1 1 8  20 21 o 124.1142 2.565098 154.6550       6.377483      144.4533       8.586436      164.9276       9.429493      120.0081 3.577440 128.2203 3.677068 -8.212166      5.130195 
1 1 1 8  20 22 o 119.4811 2.756862 143.4615       6.589310      150.7585       9.535762      136.0936       9.096521      122.5382 3.890933 116.4240 3.906636 6.114258       5.513725 
1 1 1 8  20 23 o 34.92397 6.463214 12.97884       4.609187      11.90907       5.637859      14.04860       7.297054      33.50675 8.417121 36.34118 9.810435 -2.834435      12.92643 
1 1 1 8  20 24 o 115.3009 3.423403 133.8974       7.877984      135.2434       8.926493      132.5513       12.97884      116.0318 3.846570 114.5699 5.664155 1.461906       6.846806 
1 1 1 8  20 25 o 132.3175 2.860690 176.1211       7.587519      171.0911       9.734127      181.1511       11.63986      130.4842 3.730003 134.1508 4.338348 -3.666656      5.721380 
1 1 1 8  20 26 o 152.0141 2.914342 232.5847       8.876901      226.9171       11.38482      238.3232       13.62353      150.2262 3.789226 153.8020 4.428919 -3.575745      5.828684 
1 1 1 8  20 27 o 151.3124 3.398829 231.1678       10.27963      220.8244       14.55868      241.5112       14.50909      147.8921 4.922062 154.7326 4.688440 -6.840515      6.797659 
1 1 1 8  20 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  20 29 o 59.43678 5.615611 37.30707       6.709038      26.68029       8.218040      47.92677       10.60552      50.75702 8.095472 68.11655 7.784836 -17.35954      11.23122 
1 1 1 8  20 30 o 96.01421 3.354868 93.58647       6.437701      86.64365       8.919409      100.5293       9.287803      92.42545 4.825191 99.60297 4.662413 -7.177513      6.709736 
1 1 1 8  20 31 o 93.54338 4.593824 90.32761       8.189702      79.62997       14.72163      101.0252       7.183701      87.03582 8.457224 100.0509 3.590022 -13.01512      9.187649 
1 1 1 8  20 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  20 33 f 42.63078 5.161960 19.40449       4.339975      21.62195       6.627566      17.19412       5.605271      45.34932 7.307240 39.91225 7.292981 5.437069       10.32392 
1 1 1 8  20 34 o 39.70626 5.241688 17.23663       4.013380      18.20721       5.890777      16.26605       5.452245      40.81181 7.497259 38.60072 7.327502 2.211090       10.48338 
1 1 1 8  20 35 o 54.49148 3.886058 31.32065       4.195451      36.93159       6.054429      25.70972       5.810721      59.58840 5.080208 49.39455 5.881946 10.19384       7.772117 
1 1 1 8  20 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  20 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  20 38 o 21.66045 5.389182 5.285758       2.913862      6.259171       4.357687      4.312346       3.868855      23.14530 7.869917 20.17560 7.364614 2.969694       10.77836 
1 1 1 8  20 39 o 20.60161 5.155362 4.991751       2.675114      4.331474       3.390650      5.651320       4.138775      19.52387 6.917166 21.67935 7.646165 -2.155485      10.31072 
1 1 1 8  20 40 o 18.32044 5.856804 2.880565       4.718997      5.163905       8.678535      0.5975791      3.710162      21.83311 9.739763 14.80778 6.507353 7.025326       11.71361 
1 1 1 8  21 0  o 77.03230 5.259726 60.20423       8.026759      60.20423       8.026759      60.20423       8.026759      77.03230 5.259726 77.03230 5.259726 0.000000       0.000000 
1 1 1 8  21 1  o 109.0361 2.907120 119.0199       6.340643      119.0907       8.926493      118.8782       9.004422      109.0853 4.091521 108.9870 4.130960 0.9822845E-01  5.814239 
1 1 1 8  21 2  o 235.8033 2.584327 556.4180       12.19245      548.1292       17.03118      564.7069       17.44208      234.0475 3.638403 237.5591 3.671104 -3.511581      5.168653 
1 1 1 8  21 3  o 112.9701 2.850009 127.8755       6.435576      137.7230       9.309056      118.0989       8.891070      117.3108 3.967689 108.6293 4.092389 8.681465       5.700017 
1 1 1 8  21 4  o 118.9111 2.761398 141.5487       6.567348      136.5895       9.103605      146.5078       9.472000      116.8277 3.896168 120.9946 3.914225 -4.166916      5.522797 
1 1 1 8  21 5  o 430.1276 3.541615 1852.601       30.47051      1881.648       43.71148      1823.555       42.46460      433.4960 5.041739 426.7591 4.975242 6.736908       7.083231 
1 1 1 8  21 6  o 345.3754 3.060069 1193.741       21.14020      1183.823       29.59912      1204.368       30.18713      343.8917 4.303552 346.8590 4.351499 -2.967285      6.120139 
1 1 1 8  21 7  o 214.0102 2.526395 458.6517       10.81806      437.1147       14.77830      480.1178       15.81264      208.9924 3.535607 219.0280 3.609731 -10.03557      5.052789 
1 1 1 8  21 8  o 262.7207 2.675062 691.0239       14.06277      675.3671       19.50368      706.6807       20.25464      259.7461 3.754373 265.6953 3.811628 -5.949219      5.350124 
1 1 1 8  21 9  o 33.66064 6.868676 11.59027       4.922323      12.87965       6.534760      10.30089       7.360813      35.11866 9.195636 32.20264 10.20564 2.916019       13.73735 
1 1 1 8  21 10 o 247.0508 3.761704 612.0314       18.58978      626.6256       26.80073      597.5082       25.77348      249.9843 5.360482 244.1173 5.278913 5.867065       7.523409 
1 1 1 8  21 11 o 286.0372 3.175059 820.3871       18.18596      777.1716       24.53369      863.6028       26.85741      278.5090 4.404469 293.5655 4.574347 -15.05643      6.350118 
1 1 1 8  21 12 o 225.7589 2.966220 510.7938       13.40391      489.8235       18.31348      531.8348       19.57452      221.1206 4.141062 230.3972 4.247995 -9.276657      5.932441 
1 1 1 8  21 13 o 145.5240 2.899102 212.2522       8.444746      206.2303       11.65403      218.2032       12.21371      143.4736 4.061386 147.5743 4.138155 -4.100739      5.798205 
1 1 1 8  21 14 o 216.6237 3.333038 470.6245       14.48075      483.1641       22.81923      458.0849       17.83882      219.4464 5.199273 213.8011 4.171825 5.645294       6.666076 
1 1 1 8  21 15 f 234.8572 2.571221 552.5924       12.07910      542.1782       16.76197      563.0067       17.39958      232.6477 3.602436 237.0667 3.669764 -4.418976      5.142442 
1 1 1 8  21 16 o 114.4192 2.678488 131.2053       6.125274      133.9682       8.473083      128.4423       8.848563      115.6318 3.663822 113.2067 3.908146 2.425102       5.356977 
1 1 1 8  21 17 o 253.2457 2.620124 642.8491       13.26930      641.9282       18.57561      643.7701       18.95817      253.0700 3.670053 253.4215 3.740443 -0.3514862     5.240248 
1 1 1 8  21 18 o 85.50285 3.077042 73.39561       5.256712      74.52913       7.162447      72.26208       7.700871      86.17771 4.155626 84.82799 4.539110 1.349724       6.154084 
1 1 1 8  21 19 o 163.8226 2.472045 269.2825       8.090520      280.4052       11.39899      258.0890       11.49109      167.2300 3.408177 160.4152 3.581670 6.814789       4.944091 
1 1 1 8  21 20 o 137.9953 2.530372 191.1403       6.974000      202.6172       9.904156      179.7342       9.826226      142.1392 3.483963 133.8513 3.670576 8.287918       5.060743 
1 1 1 8  21 21 o 24.46413 6.425488 3.751961       4.518506      -1.100226      6.236501      8.607689       6.540427      19.46658 8.496409 29.46168 9.641506 -9.995094      12.85098 
1 1 1 8  21 22 o 22.28230 6.597686 0.2203993      5.152570      -4.382482      6.600646      4.823140       7.913406      17.90765 8.182079 26.65696 10.35236 -8.749310      13.19537 
1 1 1 8  21 23 o 26.57966 7.124602 5.436659       5.278674      2.975497       6.441952      7.899237       8.366816      23.19202 9.247448 29.96730 10.84087 -6.775276      14.24920 
1 1 1 8  21 24 o 195.8620 2.859823 386.1062       11.23604      364.6401       14.60119      407.5723       17.08786      190.4695 3.832947 201.2544 4.245337 -10.78490      5.719647 
1 1 1 8  21 25 o 150.5185 3.010293 228.1923       9.046929      233.4349       11.81698      222.8789       13.69437      152.3479 3.878287 148.6891 4.605035 3.658752       6.020586 
1 1 1 8  21 26 o 120.9012 3.119019 147.2871       7.559181      143.6032       9.330310      151.0419       11.90199      119.4747 3.904723 122.3277 4.864799 -2.853004      6.238039 
1 1 1 8  21 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  21 28 o 27.71479 7.215233 5.466414       5.688868      9.769550       6.897486      1.161861       9.046929      30.67335 9.895339 24.75623 10.50336 5.917116       14.43047 
1 1 1 8  21 29 o 50.64130 5.292404 26.90700       5.099436      23.95984       8.062181      29.86124       6.248545      47.17390 8.871207 54.10871 5.774066 -6.934807      10.58481 
1 1 1 8  21 30 o 62.47312 4.628775 40.19755       5.782383      40.20464       8.182618      40.19755       8.175533      62.47514 6.548700 62.47110 6.543453 0.4039764E-02  9.257550 
1 1 1 8  21 31 o 68.00350 4.246519 47.72839       5.765380      44.36325       8.118857      51.09354       8.189702      65.53835 6.193975 70.46866 5.810883 -4.930313      8.493038 
1 1 1 8  21 32 f 63.24022 6.735934 43.90984       7.934660      39.68747       13.55977      48.13221       8.239295      58.29239 12.04119 68.18806 6.041596 -9.895672      13.47187 
1 1 1 8  21 33 o 25.32704 7.236586 1.820013       6.891819      -2.858603      12.70254      6.497920       5.350228      25.48996 11.55822 25.16413 8.710928 0.3258305      14.47317 
1 1 1 8  21 34 o 41.10583 5.174077 18.55435       4.120355      17.37124       6.323640      19.73038       5.285050      39.02460 8.345339 43.18706 6.118789 -4.162457      10.34815 
1 1 1 8  21 35 o 67.04330 3.766035 48.06845       5.013713      40.52344       6.947787      55.61347       7.233293      61.50077 5.648537 72.58582 4.982580 -11.08505      7.532069 
1 1 1 8  21 36 o 18.24623 5.765122 -10.09544      5.869523      -23.49935      10.34340      3.307053       5.555679      15.62531 7.812632 20.86716 8.479935 -5.241841      11.53024 
1 1 1 8  21 37 o 15.92112 5.040001 -0.8218040     3.313429      0.9649113E-01  4.838726      -1.739958      4.528424      16.87766 7.424121 14.96459 6.818276 1.913068       10.08000 
1 1 1 8  21 38 o 54.41367 3.107080 31.51194       3.365855      30.36424       5.107938      32.65963       4.385316      53.09675 4.810028 55.73060 3.934388 -2.633854      6.214159 
1 1 1 8  21 39 o 13.01516 4.222477 -2.274130      2.615604      1.021587       3.800843      -5.570556      3.593976      15.51538 6.700728 10.51494 5.139797 5.000445       8.444955 
1 1 1 8  22 0  o 161.1094 3.647349 260.0727       11.73905      260.0727       11.73905      260.0727       11.73905      161.1094 3.647349 161.1094 3.647349 0.000000       0.000000 
1 1 1 8  22 1  o 105.4188 3.002159 111.2269       6.330016      111.2269       8.883986      111.2978       9.018591      105.4030 4.214296 105.4347 4.276862 -0.3173065E-01 6.004319 
1 1 1 8  22 2  o 71.13061 3.890041 50.76057       5.517423      54.30283       7.651280      47.21832       7.948828      73.62333 5.196233 68.63789 5.790410 4.985443       7.780083 
1 1 1 8  22 3  o 198.2067 2.538776 393.2616       10.06710      390.1444       14.14778      396.3079       14.31781      197.4303 3.582981 198.9830 3.597748 -1.552658      5.077552 
1 1 1 8  22 4  o 75.23207 3.739102 57.07287       5.569139      66.03479       7.828392      48.11096       7.920490      81.18918 4.821081 69.27497 5.716705 11.91421       7.478204 
1 1 1 8  22 5  o 61.19689 4.253233 37.57628       5.202870      39.09945       7.353730      36.06019       7.360813      62.43857 5.888771 59.95522 6.138594 2.483356       8.506466 
1 1 1 8  22 6  o 60.37176 4.897635 36.82533       5.875190      42.45752       8.430575      31.18605       8.182618      65.03541 6.481528 55.70811 7.344189 9.327293       9.795270 
1 1 1 8  22 7  o 104.4510 3.347939 109.5975       6.987460      98.19141       9.592437      121.0744       10.15920      98.98040 4.845624 109.9215 4.621115 -10.94111      6.695878 
1 1 1 8  22 8  o 124.9345 3.070646 156.5679       7.679617      145.6577       10.49217      167.4780       11.20771      120.5758 4.350860 129.2932 4.334223 -8.717331      6.141292 
1 1 1 8  22 9  o 210.8358 3.192440 445.4745       13.48184      438.7442       17.06660      452.2048       20.87099      209.2836 4.077386 212.3879 4.913413 -3.104309      6.384881 
1 1 1 8  22 10 o 275.1592 2.966352 758.7519       16.29439      734.6645       23.96692      782.8392       22.08953      270.7610 4.425845 279.5573 3.950805 -8.796356      5.932703 
1 1 1 8  22 11 o 236.6447 2.836744 561.2355       13.39682      542.3907       19.87916      580.0095       17.96634      232.6485 4.272358 240.6409 3.733018 -7.992386      5.673489 
1 1 1 8  22 12 o 215.6460 2.783298 466.1613       11.96575      487.4857       15.94725      444.8369       17.83882      220.6131 3.614302 210.6788 4.233651 9.934296       5.566595 
1 1 1 8  22 13 o 178.4049 2.538643 318.8033       9.054014      323.4082       12.78755      314.2692       12.83006      179.6860 3.558305 177.1237 3.621780 2.562317       5.077285 
1 1 1 8  22 14 o 218.2946 2.557242 477.4256       11.16520      482.5265       15.73471      472.3248       15.84098      219.4643 3.584800 217.1249 3.647896 2.339417       5.114483 
1 1 1 8  22 15 o 259.8496 2.666772 676.7840       13.85732      680.5388       19.55327      673.0292       19.64537      260.5735 3.751967 259.1257 3.790702 1.447815       5.333543 
1 1 1 8  22 16 o 124.8552 2.642869 156.3553       6.596395      159.1183       9.054014      153.5215       9.592437      125.9855 3.593275 123.7249 3.876520 2.260674       5.285738 
1 1 1 8  22 17 o 40.99458 6.033448 17.69713       4.786300      17.21538       6.723916      18.17887       6.812472      40.41233 8.578587 41.57681 8.486333 -1.164478      12.06690 
1 1 1 8  22 18 o 40.03220 6.713531 16.95325       5.329682      18.75272       6.938577      15.15378       8.090520      42.22098 8.515556 37.84342 10.38130 4.377560       13.42706 
1 1 1 8  22 19 o 79.66623 3.836163 63.92360       6.104020      64.73124       7.644195      63.12305       9.514507      80.23267 4.763767 79.09979 6.014243 1.132874       7.672327 
1 1 1 8  22 20 o 100.8394 3.367902 102.5838       6.732417      112.4313       8.990252      92.73634       10.02459      105.7574 4.250412 95.92134 5.225424 9.836090       6.735804 
1 1 1 8  22 21 o 84.52254 3.621457 72.04955       6.077100      75.80434       7.495420      68.27350       9.564099      86.82710 4.316291 82.21798 5.816307 4.609116       7.242913 
1 1 1 8  22 22 o 22.22469 6.129210 0.5953829      4.553220      -7.233293      5.836935      8.423491       6.989584      14.99139 7.136262 29.45800 9.967076 -14.46661      12.25842 
1 1 1 8  22 23 o 69.05678 4.125519 48.56437       5.788051      40.80682       6.801137      56.31483       9.365732      63.57060 5.349278 74.54295 6.282105 -10.97235      8.251038 
1 1 1 8  22 24 o 40.61364 6.355642 17.61920       5.047010      17.96634       6.523424      17.27205       7.700871      41.17207 8.213039 40.05521 9.701687 1.116852       12.71128 
1 1 1 8  22 25 o 88.08792 3.639339 78.42561       6.395194      80.55096       8.331393      76.30025       9.705790      89.36435 4.661475 86.81149 5.590153 2.552864       7.278678 
1 1 1 8  22 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  22 27 o 106.6938 3.326863 115.3360       7.127024      106.9054       9.231127      123.8374       10.86057      102.8310 4.488492 110.5565 4.911772 -7.725456      6.653726 
1 1 1 8  22 28 o 21.66283 6.543800 -0.9025675     5.336767      -7.700871      6.271215      5.897861       8.636027      15.44393 7.366694 27.88172 10.81744 -12.43779      13.08760 
1 1 1 8  22 29 o 139.6563 3.041214 197.7997       8.536844      183.7724       10.83931      211.8271       13.19137      134.8096 4.020230 144.5031 4.564391 -9.693497      6.082427 
1 1 1 8  22 30 f 115.2402 3.115582 135.2434       7.254546      121.8537       8.699788      148.7040       11.61152      109.6794 3.966008 120.8009 4.806057 -11.12153      6.231164 
1 1 1 8  22 31 o 102.9716 3.166615 108.6057       6.613398      122.9872       10.68345      94.29493       7.792970      109.6161 4.873122 96.32703 4.045059 13.28908       6.333231 
1 1 1 8  22 32 o 52.53128 5.200380 29.32282       5.462872      28.19638       7.622942      30.44926       7.828392      51.50257 7.400545 53.55999 7.308061 -2.057419      10.40076 
1 1 1 8  22 33 o 18.70414 5.704969 -4.420031      4.603519      4.898944       6.223041      -13.73688      6.786260      23.69928 9.185161 13.70900 6.769011 9.990278       11.40994 
1 1 1 8  22 34 o 48.26133 7.783306 27.86341       7.757547      23.36474       13.32598      32.36208       7.962997      41.79036 13.76231 54.73230 7.274496 -12.94194      15.56661 
1 1 1 8  22 35 o 26.12159 6.765934 2.250043       6.820973      -11.88074      11.53359      16.37940       7.289969      18.41895 9.060350 33.82423 10.05094 -15.40528      13.53187 
1 1 1 8  22 36 o 33.66259 5.648021 13.65895       3.759045      14.37449       5.664781      12.93633       4.942868      34.32687 8.325024 32.99831 7.635087 1.328556       11.29604 
1 1 1 8  22 37 o 16.97355 5.092281 -0.6776341     3.410487      -5.987126      4.959163      4.631858       4.684283      13.05451 6.303914 20.89259 7.999123 -7.838076      10.18456 
1 1 1 8  22 38 o 27.54943 5.459098 9.819141       3.284383      13.33306       4.746627      6.308055       4.540468      32.66308 7.431288 22.43578 7.998936 10.22730       10.91820 
1 1 1 8  23 0  o 37.43360 10.88254 17.19412       7.063973      17.19412       7.063973      17.19412       7.063973      37.43360 10.88254 37.43360 10.88254 0.000000       0.000000 
1 1 1 8  23 1  o 171.6830 2.580838 295.1410       8.862731      298.0457       12.66003      292.2364       12.40499      172.5266 3.669009 170.8393 3.630603 1.687317       5.161676 
1 1 1 8  23 2  o 241.3764 3.053473 583.6934       14.74288      583.8351       20.97017      583.5517       20.72222      241.4032 4.343392 241.3497 4.292985 0.5345154E-01  6.106945 
1 1 1 8  23 3  o 97.12361 3.565246 94.57832       6.923699      92.59465       9.854564      96.56198       9.727042      96.10081 5.127202 98.14642 4.955374 -2.045601      7.130493 
1 1 1 8  23 4  o 209.1816 2.943926 438.3900       12.31998      444.4118       17.47042      432.2973       17.36415      210.6284 4.147215 207.7349 4.179402 2.893448       5.887851 
1 1 1 8  23 5  o 63.17747 4.841991 40.11962       6.110397      38.46893       8.721042      41.77740       8.565183      61.86553 7.048385 64.48941 6.640767 -2.623878      9.683982 
1 1 1 8  23 6  o 193.6671 2.919294 375.8337       11.30689      384.7602       16.08894      366.8363       15.89057      195.9787 4.104768 191.3555 4.152108 4.623154       5.838589 
1 1 1 8  23 7  o 158.3984 2.618494 251.2878       8.295970      258.0890       11.73905      244.5576       11.71779      160.5339 3.656252 156.2630 3.749382 4.270905       5.236988 
1 1 1 8  23 8  o 228.4207 2.627950 522.5540       12.00826      524.1126       16.91074      521.0663       17.04535      228.7555 3.696248 228.0858 3.736608 0.6696930      5.255900 
1 1 1 8  23 9  o 104.5238 3.380373 109.7392       7.003754      100.6710       10.63386      118.8074       9.117774      100.1642 5.308214 108.8833 4.186948 -8.719078      6.760745 
1 1 1 8  23 10 o 93.06055 3.151725 86.92703       5.868106      81.96787       8.055097      91.81535       8.536844      90.42193 4.454173 95.69916 4.460250 -5.277229      6.303450 
1 1 1 8  23 11 o 271.3697 2.968025 738.2068       16.08894      726.1631       23.97401      750.2504       21.47317      269.1154 4.454224 273.6240 3.923847 -4.508514      5.936050 
1 1 1 8  23 12 o 155.0888 2.768610 241.0862       8.600604      246.1870       12.95050      235.9853       11.31397      156.7101 4.131991 153.4674 3.686116 3.242706       5.537220 
1 1 1 8  23 13 o 78.59206 3.544417 62.42877       5.506087      72.68716       7.715039      52.19164       7.856731      85.11450 4.532154 72.06961 5.450793 13.04489       7.088833 
1 1 1 8  23 14 o 90.91595 3.672893 83.45561       6.589310      95.28677       8.919409      71.69532       9.698705      97.42198 4.577719 84.40991 5.745003 13.01207       7.345786 
1 1 1 8  23 15 o 88.76280 3.880376 79.27575       6.886151      77.15040       9.790804      81.47195       9.684536      87.54251 5.592028 89.98309 5.381309 -2.440582      7.760751 
1 1 1 8  23 16 o 72.59335 4.628987 53.52353       6.868440      45.63847       7.545012      61.40860       11.47692      67.31163 5.604537 77.87507 7.368802 -10.56344      9.257974 
1 1 1 8  23 17 o 159.4632 2.920466 255.3260       9.323226      251.7838       12.31998      258.8683       13.99192      158.3933 3.889045 160.5330 4.357959 -2.139648      5.840932 
1 1 1 8  23 18 o 130.2035 2.732070 170.5244       7.141194      155.0801       9.309056      186.0394       10.83223      124.2984 3.744639 136.1086 3.979260 -11.81011      5.464141 
1 1 1 8  23 19 o 88.74359 3.248888 79.34660       5.776716      74.95419       7.750463      83.66816       8.565183      86.31673 4.489548 91.17046 4.697345 -4.853722      6.497776 
1 1 1 8  23 20 o 79.31981 3.443912 63.35685       5.460746      63.98028       7.374983      62.73340       8.055097      79.73713 4.624560 78.90248 5.104464 0.8346481      6.887823 
1 1 1 8  23 21 o 71.49231 3.962260 52.12788       5.557804      61.93286       7.637110      42.32999       8.076350      78.36857 4.872560 64.61604 6.249493 13.75253       7.924519 
1 1 1 8  23 22 o 84.99898 3.459582 72.97054       5.890777      67.31709       7.892153      78.56730       8.749379      81.72552 4.828451 88.27244 4.955895 -6.546921      6.919164 
1 1 1 8  23 23 f 94.93036 3.565358 91.60282       6.878358      77.64632       8.026759      105.4885       11.17229      87.75523 4.573380 102.1055 5.470952 -14.35027      7.130716 
1 1 1 8  23 24 f 124.7812 3.057497 156.9221       7.651280      150.5460       9.967916      163.3690       11.60444      122.2841 4.075720 127.2782 4.558690 -4.994125      6.114994 
1 1 1 8  23 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  23 26 o 117.6529 3.159559 139.9901       7.452912      132.6930       9.854564      147.3580       11.17937      114.6174 4.298896 120.6885 4.631497 -6.071121      6.319119 
1 1 1 8  23 27 o 98.17284 3.363784 97.76635       6.574432      104.9926       8.976085      90.61098       9.606606      101.8795 4.405244 94.46616 5.084681 7.413361       6.727567 
1 1 1 8  23 28 o 157.6591 2.717939 251.1462       8.572267      249.1625       11.66112      253.0590       12.56793      157.1015 3.711332 158.2166 3.971749 -1.115112      5.435878 
1 1 1 8  23 29 o 43.35471 6.137088 20.55927       5.156112      19.58869       6.573724      21.52985       7.948828      42.55754 8.017157 44.15187 9.294116 -1.594326      12.27418 
1 1 1 8  23 30 o 78.95119 4.308100 64.73833       6.824516      60.46636       8.898154      69.01737       10.35048      76.46655 5.818332 81.43584 6.354991 -4.969292      8.616200 
1 1 1 8  23 31 o 19.89841 6.260584 -1.284423      5.046302      -4.104061      6.057971      1.535215       8.069265      16.66563 7.704619 23.13120 9.870081 -6.465567      12.52117 
1 1 1 8  23 32 o 47.33022 5.451108 24.59036       4.947119      21.31023       7.353730      27.87758       6.615522      43.31090 8.795644 51.34955 6.441656 -8.038651      10.90222 
1 1 1 8  23 33 o 29.25733 5.397211 6.823099       4.655237      22.38708       7.226208      -8.742295      5.870231      44.55893 8.415737 13.95573 6.759802 30.60319       10.79442 
1 1 1 8  23 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  23 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  23 36 o 25.28442 7.047024 9.039845       5.609521      17.13037       10.18045      0.9471999      4.709787      33.38563 11.97001 17.18321 7.440504 16.20242       14.09405 
1 1 1 8  23 37 o 17.85324 5.364420 1.982248       3.378607      1.195158       5.112188      2.768630       4.419322      17.49208 7.663049 18.21439 7.509042 -0.7223129     10.72884 
1 1 1 8  23 38 o 35.69418 5.195302 16.45733       3.663404      20.25464       5.366522      12.65295       4.988209      40.91738 6.557755 30.47098 8.059809 10.44640       10.39060 
1 1 1 8  24 0  o 35.20488 14.23390 17.39249       9.748297      17.39249       9.748297      17.39249       9.748297      35.20488 14.23390 35.20488 14.23390 0.000000       0.000000 
1 1 1 8  24 1  o 234.9881 3.735418 554.0093       17.55543      538.9901       24.46284      569.0993       25.19254      231.7958 5.276809 238.1804 5.288542 -6.384659      7.470836 
1 1 1 8  24 2  o 186.0161 3.322421 347.0705       12.31289      361.1687       16.00393      332.9015       18.71730      189.8513 4.214857 182.1808 5.137012 7.670578       6.644841 
1 1 1 8  24 3  o 196.6709 2.819090 387.5231       11.08019      392.1989       14.48075      382.8474       16.76905      197.8860 3.658862 195.4557 4.289733 2.430344       5.638181 
1 1 1 8  24 4  o 139.2320 2.672804 194.2575       7.445828      201.7671       10.65512      186.7479       10.39299      141.9259 3.753761 136.5382 3.805891 5.387695       5.345608 
1 1 1 8  24 5  o 187.8101 2.590856 353.3049       9.734127      353.9425       13.60936      352.6673       13.91399      187.9833 3.619832 187.6370 3.707690 0.3463135      5.181713 
1 1 1 8  24 6  o 136.0368 2.705686 185.4018       7.360813      184.5517       10.35756      186.2520       10.46383      135.7256 3.815626 136.3480 3.837179 -0.6223755     5.411372 
1 1 1 8  24 7  o 124.6315 2.800689 155.6469       6.981084      155.6469       9.776634      155.6469       9.967916      124.6340 3.922138 124.6291 3.999034 0.4928589E-02  5.601378 
1 1 1 8  24 8  o 96.79092 3.341878 94.29493       6.412906      106.0552       8.841478      82.60548       9.287803      102.8548 4.298039 90.72706 5.118541 12.12773       6.683756 
1 1 1 8  24 9  o 117.8412 2.866439 139.2108       6.755795      133.6848       9.386987      144.8075       9.719957      115.4864 4.064111 120.1961 4.043375 -4.709740      5.732877 
1 1 1 8  24 10 o 64.11196 4.843788 41.57195       6.147236      46.88534       8.444746      36.25148       8.940661      68.27154 6.184675 59.95238 7.456469 8.319157       9.687576 
1 1 1 8  24 11 o 64.74019 5.533653 42.40792       7.066098      45.40467       8.246379      39.40409       11.47692      67.16399 6.138988 62.31638 9.208589 4.847603       11.06731 
1 1 1 8  24 12 f 97.45073 3.657228 95.42845       7.127024      95.78268       9.401155      95.14508       10.71179      97.64740 4.813828 97.25407 5.507117 0.3933334      7.314457 
1 1 1 8  24 13 o 34.17749 6.608251 10.74721       5.472082      20.01376       7.009422      1.477830       8.409323      43.71608 8.316765 24.63889 10.27168 19.07719       13.21650 
1 1 1 8  24 14 o 87.27444 3.714616 77.15040       6.323640      89.83168       8.118857      64.49745       9.698705      94.57816 4.292142 79.97072 6.063910 14.60744       7.429232 
1 1 1 8  24 15 o 72.43024 3.698303 53.05595       5.365105      45.65263       7.084518      60.46636       8.062181      67.34728 5.259691 77.51318 5.200522 -10.16590      7.396606 
1 1 1 8  24 16 o 147.6797 2.632694 218.9116       7.778800      216.0778       10.65512      221.6746       11.33523      146.7485 3.630400 148.6110 3.813726 -1.862473      5.265388 
1 1 1 8  24 17 o 64.87026 4.701234 43.53436       6.064347      56.03853       9.323226      31.03019       7.757547      74.43264 6.262861 55.30788 7.013058 19.12476       9.402469 
1 1 1 8  24 18 o 66.93426 3.978715 45.33383       5.287884      49.91043       7.233293      40.75723       7.715039      70.37288 5.139262 63.49564 6.075252 6.877243       7.957430 
1 1 1 8  24 19 o 28.61027 6.836432 7.580434       4.903194      2.675822       6.326474      12.48292       7.495420      22.75138 9.128417 34.46915 10.17935 -11.71778      13.67286 
1 1 1 8  24 20 o 93.76101 3.208946 88.76900       6.033884      80.76351       7.977167      96.70367       9.054014      89.55415 4.453823 97.96787 4.620910 -8.413727      6.417892 
1 1 1 8  24 21 o 39.87032 6.450358 16.71946       5.234750      22.11786       6.905988      11.32106       7.870899      46.57554 7.413749 33.16509 10.55769 13.41045       12.90072 
1 1 1 8  24 22 o 35.51388 6.813793 13.02843       5.350936      19.41158       7.112856      6.636776       7.998421      42.72347 8.626424 28.30429 10.54969 14.41918       13.62759 
1 1 1 8  24 23 o 87.26632 4.175487 77.36294       7.275800      80.48012       10.10961      74.17490       10.47092      89.09556 5.673463 85.43708 6.127853 3.658478       8.350974 
1 1 1 8  24 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  24 25 o 28.26339 7.723903 6.025383       6.472415      0.2969830      7.367898      11.75322       10.64095      21.98793 9.408355 34.53885 12.25225 -12.55092      15.44781 
1 1 1 8  24 26 o 160.4000 2.785850 259.8601       8.954830      247.2497       11.97283      272.4706       13.31181      156.5491 3.823987 164.2509 4.052278 -7.701843      5.571700 
1 1 1 8  24 27 o 107.2605 3.147830 116.6112       6.758630      115.0526       9.054014      118.2406       10.03168      106.5933 4.246988 107.9276 4.647410 -1.334259      6.295660 
1 1 1 8  24 28 o 83.94221 4.042214 72.75800       6.825224      83.24309       10.51342      62.23749       8.706873      89.98596 5.841703 77.89847 5.588603 12.08749       8.084428 
1 1 1 8  24 29 o 73.11739 4.794902 56.18731       6.839394      64.63206       8.770633      47.74257       10.49926      79.17920 5.538471 67.05556 7.828773 12.12363       9.589804 
1 1 1 8  24 30 o 27.94567 7.064781 7.870899       5.060471      8.898154       6.622607      6.840810       7.651280      28.74922 9.701893 27.14213 10.27219 1.607090       14.12956 
1 1 1 8  24 31 o 25.16446 6.825446 5.423907       4.925157      7.353730       6.541135      3.496209       7.367898      26.68519 9.592127 23.64373 9.712773 3.041460       13.65089 
1 1 1 8  24 32 o 24.12469 6.249124 4.211038       4.456161      -1.865353      6.342061      10.28672       6.261296      18.28973 8.236649 29.95966 9.400203 -11.66992      12.49825 
1 1 1 8  24 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  24 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  24 35 o 42.11617 5.091950 20.62303       4.092017      17.18704       6.067889      24.05902       5.491210      37.42159 8.325248 46.81076 5.865329 -9.389168      10.18390 
1 1 1 8  24 36 o 15.52441 5.139277 -2.941492      4.012671      -2.579473      5.465705      -3.303510      5.875899      15.44465 7.208225 15.60416 7.327357 -0.1595097     10.27855 
1 1 1 8  24 37 o 29.13162 7.375824 14.60119       5.635734      20.21213       9.719957      8.983169       5.704454      33.18054 11.71611 25.08270 8.963479 8.097836       14.75165 
1 1 1 8  25 0  o 130.3884 3.979980 170.6660       10.35756      170.6660       10.35756      170.6660       10.35756      130.3884 3.979980 130.3884 3.979980 0.000000       0.000000 
1 1 1 8  25 1  o 87.17938 3.431192 76.30025       5.975791      80.48012       8.465999      72.12038       8.437660      89.57620 4.725585 84.78257 4.976058 4.793633       6.862383 
1 1 1 8  25 2  o 96.29460 3.479555 93.09056       6.718248      97.76635       10.08127      88.41478       8.876901      98.70234 5.106905 93.88686 4.727446 4.815483       6.959111 
1 1 1 8  25 3  o 122.8194 3.258828 151.3253       8.005506      152.6005       11.14395      149.9792       11.49109      123.3584 4.516898 122.2803 4.698667 1.078133       6.517656 
1 1 1 8  25 4  o 104.6101 3.465832 109.8809       7.240376      115.7610       10.18754      104.0007       10.29380      107.4224 4.741811 101.7978 5.056007 5.624672       6.931665 
1 1 1 8  25 5  o 124.2410 3.266782 155.0801       8.125941      142.8239       10.90307      167.3363       12.06493      119.3280 4.568530 129.1539 4.670760 -9.825836      6.533564 
1 1 1 8  25 6  o 79.50207 5.090392 63.82442       7.955913      69.53455       9.443663      58.11430       12.81589      83.18324 5.676421 75.82089 8.451426 7.362350       10.18078 
1 1 1 8  25 7  o 287.7377 3.741060 831.7224       21.54402      826.7632       26.38983      836.6816       34.05528      287.0403 4.596886 288.4352 5.903454 -1.394897      7.482121 
1 1 1 8  25 8  f 177.5333 3.100800 316.3237       11.01642      307.2556       15.05460      325.3919       16.08894      174.9995 4.301327 180.0671 4.467486 -5.067566      6.201600 
1 1 1 8  25 9  o 240.1209 3.138824 578.8051       15.07585      572.7124       20.66554      584.8978       21.96201      238.8802 4.325502 241.3617 4.549605 -2.481445      6.277649 
1 1 1 8  25 10 o 127.5532 4.868228 0.000000       0.000000      ?              ?             163.5107       12.41916      ?        ?        127.5532 4.868228 ?              ?        
1 1 1 8  25 11 o 123.1208 2.960071 152.5297       7.254546      167.8322       10.19462      137.2980       10.32923      129.3241 3.941503 116.9176 4.417311 12.40645       5.920142 
1 1 1 8  25 12 o 21.35773 6.362366 -0.3338225     4.821014      3.350268       6.570890      -4.018339      7.056180      23.79190 9.385674 18.92355 8.592317 4.868355       12.72473 
1 1 1 8  25 13 o 50.77313 5.100099 26.09937       5.184450      25.63887       6.908113      26.55986       7.729208      50.35473 6.859449 51.19153 7.549304 -0.8368034     10.20020 
1 1 1 8  25 14 o 123.3033 2.897004 152.6714       7.141194      155.4343       9.967916      149.9792       10.23004      124.4163 4.005873 122.1904 4.186109 2.225891       5.794008 
1 1 1 8  25 15 o 140.6149 2.733538 198.6499       7.679617      205.8761       10.65512      191.4237       11.05893      143.1957 3.720472 138.0341 4.005871 5.161682       5.467076 
1 1 1 8  25 16 o 59.30116 4.467379 35.80515       5.233334      41.49402       7.282885      30.11629       7.516674      64.10861 5.680114 54.49371 6.896827 9.614899       8.934758 
1 1 1 8  25 17 o 92.85516 3.302927 86.78535       6.132358      86.71449       8.324308      86.85619       9.011506      92.84108 4.483096 92.86926 4.851717 -0.2817535E-01 6.605854 
1 1 1 8  25 18 o 44.62312 5.958734 21.26064       5.091643      28.28848       6.962664      14.22571       7.431659      52.77770 6.596217 36.46854 9.925521 16.30916       11.91747 
1 1 1 8  25 19 o 103.5828 3.177949 108.0389       6.575850      110.5185       8.961915      105.5593       9.627860      104.8049 4.275522 102.3607 4.702909 2.444252       6.355898 
1 1 1 8  25 20 f 33.81436 7.119635 11.95867       5.252461      14.05568       7.077433      9.854564       7.764632      36.19632 9.612432 31.43239 10.50514 4.763929       14.23927 
1 1 1 8  25 21 o 25.24082 7.183306 3.454411       5.575515      2.188408       7.190785      4.721123       8.522675      23.39426 9.600290 27.08738 10.68803 -3.693117      14.36661 
1 1 1 8  25 22 f 110.8587 3.781139 125.3251       8.416408      106.1969       10.90307      144.4533       12.81589      102.3546 5.326125 119.3627 5.368467 -17.00804      7.562278 
1 1 1 8  25 23 o 69.07098 6.144110 51.36984       7.856731      67.04079       10.86057      35.69889       11.36357      80.84310 6.717064 57.29887 10.28987 23.54423       12.28822 
1 1 1 8  25 24 o 26.34270 6.572395 -0.3382149     5.866689      13.80064       7.658363      -14.48075      8.891070      35.64582 10.21402 17.03959 8.274020 18.60622       13.14479 
1 1 1 8  25 25 o 133.8619 2.996622 181.2928       8.040927      173.5707       10.64095      189.0149       12.05077      131.0711 4.059226 136.6526 4.409270 -5.581482      5.993244 
1 1 1 8  25 26 o 77.05580 4.109689 60.82767       6.338518      58.57479       8.657280      63.07346       9.259464      75.65849 5.721288 78.45311 5.901273 -2.794617      8.219378 
1 1 1 8  25 27 o 66.55186 4.372424 45.92893       5.834100      39.91418       7.665448      51.94368       8.798972      62.18193 6.163726 70.92178 6.203293 -8.739841      8.744848 
1 1 1 8  25 28 o 98.23476 3.399575 98.75818       6.689201      94.72000       8.990252      102.7963       9.904156      96.28843 4.668397 100.1811 4.943126 -3.892670      6.799150 
1 1 1 8  25 29 o 43.91209 6.169038 21.33857       5.290009      24.08736       7.055471      18.58269       7.885069      47.61750 7.408486 40.20669 9.866228 7.410809       12.33808 
1 1 1 8  25 30 o 43.80557 6.317839 21.69279       5.404778      25.96476       7.081684      17.42792       8.168448      49.27278 7.186203 38.33836 10.39321 10.93442       12.63568 
1 1 1 8  25 31 o 66.60577 4.436267 47.10496       5.946036      41.00519       7.566265      53.21181       9.174451      62.39103 6.063584 70.82051 6.477255 -8.429478      8.872535 
1 1 1 8  25 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  25 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  25 34 o 36.38681 6.049224 16.49984       4.419322      12.10036       6.350562      20.89933       6.148653      30.62189 9.438877 42.15173 7.568358 -11.52984      12.09845 
1 1 1 8  25 35 o 71.49266 3.497341 55.50719       5.000253      58.66689       7.197870      52.35459       6.940702      73.58923 4.890573 69.39609 5.000788 4.193146       6.994682 
1 1 1 8  25 36 o 51.21783 4.136645 30.10920       4.239376      30.91683       6.480917      29.30157       5.467123      51.36868 6.308237 51.06699 5.352893 0.3016968      8.273290 
1 1 1 8  26 0  o 57.71014 6.384417 34.62912       7.212039      34.62912       7.212039      34.62912       7.212039      57.71014 6.384417 57.71014 6.384417 0.000000       0.000000 
1 1 1 8  26 1  o 187.8350 2.635534 353.7300       9.904156      346.7872       13.78647      360.6728       14.21863      185.9940 3.706160 189.6759 3.748138 -3.681839      5.271069 
1 1 1 8  26 2  o 176.3461 2.902946 312.0022       10.21588      318.7325       13.30472      305.2010       15.51509      178.3054 3.730881 174.3867 4.448473 3.918686       5.805892 
1 1 1 8  26 3  o 93.60204 3.840944 88.13139       7.190785      88.13139       9.727042      88.06055       10.59135      93.64285 5.193692 93.56123 5.660119 0.8161926E-01  7.681887 
1 1 1 8  26 4  o 134.6133 3.184925 181.9304       8.572267      184.9768       11.77447      178.8841       12.45458      135.7596 4.336515 133.4669 4.665793 2.292648       6.369851 
1 1 1 8  26 5  o 151.8773 3.153367 231.5929       9.578268      230.5302       12.92925      232.6556       14.14070      151.5546 4.265540 152.1999 4.645435 -0.6452942     6.306734 
1 1 1 8  26 6  o 136.7434 3.586770 188.0939       9.826226      196.3828       14.62953      179.8051       13.12053      139.7339 5.234783 133.7529 4.904765 5.980988       7.173540 
1 1 1 8  26 7  o 115.4978 3.469582 134.1099       8.012589      135.8102       11.22188      132.4096       11.44150      116.2398 4.827037 114.7558 4.985150 1.484016       6.939165 
1 1 1 8  26 8  o 36.13060 8.385636 12.49709       7.261631      10.18754       11.69654      14.80664       8.600604      34.71811 12.79228 37.54309 10.84589 -2.824974      16.77127 
1 1 1 8  26 9  o 81.76686 4.132666 67.54379       6.738793      73.89152       9.606606      61.18898       9.457831      85.64556 5.608351 77.88817 6.071418 7.757393       8.265332 
1 1 1 8  26 10 o 129.1164 3.262025 167.5488       8.423491      168.3990       11.90199      166.6987       11.92324      129.4462 4.597274 128.7866 4.629071 0.6595764      6.524050 
1 1 1 8  26 11 o 129.6977 3.098470 169.0366       8.019674      173.4290       10.64095      164.6442       12.00826      131.4277 4.048212 127.9676 4.691912 3.460098       6.196939 
1 1 1 8  26 12 o 98.91667 3.660955 98.61649       7.240376      101.4503       10.08127      95.71184       10.38590      100.3777 5.021666 97.45559 5.328531 2.922157       7.321910 
1 1 1 8  26 13 o 21.15132 6.357249 -0.4195451     4.828099      2.872772       6.819557      -3.712287      6.836560      23.60703 9.475085 18.69562 8.478279 4.911411       12.71450 
1 1 1 8  26 14 o 41.76887 6.458961 18.55435       5.252461      18.08677       7.077433      19.01485       7.764632      41.28806 8.828260 42.24968 9.430509 -0.9616165     12.91792 
1 1 1 8  26 15 f 34.87840 6.836441 12.73088       5.056221      15.79847       6.788385      9.663282       7.495420      38.53986 8.967492 31.21695 10.32142 7.322903       13.67288 
1 1 1 8  26 16 o 48.56025 5.658383 24.46284       5.363688      25.49010       7.389152      23.43558       7.778800      50.00769 7.388016 47.11281 8.572423 2.894882       11.31677 
1 1 1 8  26 17 o 230.0306 2.758108 531.9056       12.68837      525.0336       17.62628      538.7776       18.26389      228.5581 3.855974 231.5031 3.944630 -2.945084      5.516217 
1 1 1 8  26 18 o 105.1188 3.307272 111.4395       6.947787      113.0689       9.514507      109.7392       10.13086      105.9374 4.490626 104.3001 4.856592 1.637337       6.614545 
1 1 1 8  26 19 o 96.36078 3.442235 93.94070       6.645278      84.80168       8.891070      103.0797       9.875818      91.66573 4.849724 101.0558 4.886318 -9.390091      6.884470 
1 1 1 8  26 20 o 37.32772 7.653799 14.99793       6.255630      9.337394       8.232210      20.65845       9.422408      31.10755 10.80173 43.54788 10.84644 -12.44033      15.30760 
1 1 1 8  26 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  26 22 o 21.48208 6.872950 -4.407987      6.403696      -8.515590      8.133026      -0.2988249     9.889987      18.13664 8.545612 24.82752 10.76672 -6.690882      13.74590 
1 1 1 8  26 23 o 51.55424 6.296757 28.15387       6.346311      28.91900       8.756464      27.38875       9.188620      52.75547 8.299105 50.35301 9.472140 2.402466       12.59351 
1 1 1 8  26 24 o 38.04795 7.379439 15.42300       6.201078      20.96309       7.615856      9.889987       9.783719      43.93337 8.977784 32.16253 11.71426 11.77084       14.75888 
1 1 1 8  26 25 o 30.57232 7.285557 9.415324       5.406196      11.86657       7.190785      6.962664       8.076350      32.98638 10.01911 28.15825 10.57992 4.828131       14.57111 
1 1 1 8  26 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  26 27 o 27.03407 7.152889 6.564514       5.273715      7.785885       6.987460      5.345269       7.899237      27.88264 9.924761 26.18551 10.30313 1.697130       14.30578 
1 1 1 8  26 28 o 25.34683 6.996433 5.130608       5.188701      6.531217       6.945662      3.730707       7.707955      26.29925 9.825245 24.39442 9.963176 1.904833       13.99287 
1 1 1 8  26 29 o 27.31654 6.935837 7.374983       5.096602      2.379690       6.828058      12.36957       7.566265      22.08958 9.235279 32.54350 10.35050 -10.45391      13.87167 
1 1 1 8  26 30 o 90.41832 3.739488 85.08506       6.760755      84.65999       8.976085      85.43929       10.11669      90.41977 4.963563 90.41686 5.594472 0.2906799E-02  7.478975 
1 1 1 8  26 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  26 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  26 33 o 32.52514 6.296229 13.69437       4.617689      6.052303       5.880858      21.33148       7.119940      23.50740 8.973632 41.54289 8.834248 -18.03549      12.59246 
1 1 1 8  26 34 o 16.37107 5.261352 -1.008835      3.781007      -0.1647859     5.321181      -1.852602      5.373607      16.89751 7.579863 15.84464 7.298832 1.052867       10.52270 
1 1 1 8  26 35 f 38.72079 5.728518 19.51076       4.389567      23.50643       6.376774      15.51509       6.033175      43.85510 7.270277 33.58649 8.854760 10.26860       11.45704 
1 1 1 8  27 0  o 121.2476 6.026610 148.7040       14.53743      148.7040       14.53743      148.7040       14.53743      121.2476 6.026610 121.2476 6.026610 0.000000       0.000000 
1 1 1 8  27 1  o 57.99371 6.844417 34.87708       7.757547      36.94576       10.95975      32.80132       10.98100      60.21147 9.101048 55.77596 10.22522 4.435509       13.68883 
1 1 1 8  27 2  o 37.80964 7.682233 14.58702       6.382442      12.16412       10.40007      17.00993       7.403321      35.56548 12.15794 40.05381 9.394220 -4.488327      15.36447 
1 1 1 8  27 3  o 40.27917 6.656938 17.25788       5.286468      19.82957       7.608772      14.68620       7.339560      43.32863 9.072598 37.22972 9.744088 6.098915       13.31388 
1 1 1 8  27 4  o 41.74028 6.458806 18.44100       5.246085      19.03610       7.467082      17.84590       7.367898      42.43165 9.064544 41.04892 9.203192 1.382736       12.91761 
1 1 1 8  27 5  o 102.2818 3.178097 105.4885       6.483750      92.87803       8.954830      118.0989       9.379901      96.12846 4.657742 108.4352 4.325119 -12.30672      6.356195 
1 1 1 8  27 6  o 188.8613 2.690944 357.9099       10.16628      356.0679       14.26113      359.7518       14.48784      188.3787 3.785229 189.3438 3.825802 -0.9650879     5.381888 
1 1 1 8  27 7  o 86.01109 3.738327 74.52913       6.444786      70.70348       8.508506      78.35477       9.684536      83.82475 5.075175 88.19743 5.490260 -4.372673      7.476654 
1 1 1 8  27 8  o 141.3623 2.840536 200.7044       8.026759      203.6090       11.35648      197.7289       11.35648      142.4023 3.987466 140.3224 4.046567 2.079819       5.681073 
1 1 1 8  27 9  o 129.5096 3.142810 168.6824       8.140111      167.6905       12.17120      169.6034       10.80389      129.0983 4.713927 129.9209 4.157873 -0.8225403     6.285619 
1 1 1 8  27 10 o 71.23351 4.591954 51.40526       6.535468      48.64938       9.238212      54.16822       9.245295      69.29697 6.665668 73.17006 6.317677 -3.873093      9.183908 
1 1 1 8  27 11 o 141.8087 3.029851 202.2630       8.607689      209.2767       13.00009      195.2493       11.29272      144.2270 4.506816 139.3904 4.050754 4.836624       6.059703 
1 1 1 8  27 12 f 75.22736 4.328610 57.37751       6.509255      63.51271       9.521592      51.24232       8.876901      79.27618 6.005330 71.17852 6.235660 8.097664       8.657220 
1 1 1 8  27 13 f 97.92126 3.706650 96.84536       7.247461      104.9217       10.30797      88.83985       10.18045      102.0218 5.051847 93.82070 5.425483 8.201118       7.413301 
1 1 1 8  27 14 o 57.67709 5.371656 34.03402       6.191161      30.68304       8.487252      37.39209       9.018591      54.80528 7.743098 60.54890 7.447361 -5.743622      10.74331 
1 1 1 8  27 15 o 94.77874 3.680722 90.75267       6.938577      95.64099       9.025676      85.79351       10.54176      97.44255 4.631280 92.11493 5.722071 5.327621       7.361444 
1 1 1 8  27 16 o 48.30488 6.588664 24.69663       6.137318      29.63454       7.885069      19.75164       9.408240      53.90823 7.313418 42.70152 10.96157 11.20671       13.17733 
1 1 1 8  27 17 o 101.6351 3.456933 104.2841       7.012964      108.9599       9.656199      99.67917       10.17337      103.9428 4.644956 99.32744 5.121127 4.615410       6.913867 
1 1 1 8  27 18 o 125.7084 3.286299 159.6850       8.232210      173.0748       11.45567      146.2953       11.81698      131.0510 4.370689 120.3657 4.908781 10.68534       6.572599 
1 1 1 8  27 19 o 57.00508 9.605272 35.73431       11.43441      41.87658       12.34832      29.58495       19.24864      63.19081 9.770657 50.81935 16.54023 12.37147       19.21054 
1 1 1 8  27 20 o 75.27765 5.172440 58.50395       7.722124      63.94485       10.34340      53.06304       11.46275      79.00700 6.545873 71.54830 8.010498 7.458702       10.34488 
1 1 1 8  27 21 o 30.41274 7.786132 8.593520       6.146527      6.231542       8.055097      10.95267       9.287803      27.73512 10.52709 33.09037 11.47500 -5.355253      15.57226 
1 1 1 8  27 22 o 21.62741 6.708232 -2.177072      5.743419      1.831348       7.849646      -6.186202      8.388069      23.70681 9.906141 19.54802 9.048198 4.158789       13.41646 
1 1 1 8  27 23 o 68.91908 4.676556 49.18781       6.339935      56.75408       8.579351      41.62154       9.337394      74.49281 5.758509 63.34536 7.370228 11.14745       9.353111 
1 1 1 8  27 24 o 26.76590 7.434883 3.985749       6.212414      8.437660       7.722124      -0.4651694     9.734127      29.29920 10.43302 24.23261 10.59538 5.066587       14.86977 
1 1 1 8  27 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  27 26 o 32.09100 6.759374 10.81806       5.423198      0.9436577      6.892527      20.70096       8.373900      21.42975 9.132378 42.75225 9.967760 -21.32250      13.51875 
1 1 1 8  27 27 o 40.97237 6.867525 19.23446       5.576932      21.65029       7.467082      16.81865       8.288886      43.98611 8.798899 37.95862 10.54661 6.027496       13.73505 
1 1 1 8  27 28 o 64.63985 4.775752 44.98669       6.011213      54.22490       8.210957      35.74848       8.784801      71.92522 5.707982 57.35448 7.658340 14.57073       9.551504 
1 1 1 8  27 29 o 49.28810 6.324094 27.71463       5.947453      34.20405       8.012589      21.22522       8.791886      56.47013 7.094538 42.10607 10.47111 14.36406       12.64819 
1 1 1 8  27 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  27 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  27 32 o 24.72089 6.574315 5.712955       4.944993      10.32214       6.097645      1.105185       7.785885      28.52008 9.309425 20.92171 9.285530 7.598372       13.14863 
1 1 1 8  27 33 o 24.06806 6.820070 6.875525       5.069681      3.686074       6.614814      10.06710       7.686701      21.10924 8.969629 27.02687 10.27615 -5.917633      13.64014 
1 1 1 8  27 34 o 23.85705 6.072432 4.271256       4.861396      14.34615       6.339226      -5.805054      7.374983      31.66794 9.364331 16.04616 7.733499 15.62178       12.14486 
1 1 1 8  28 0  o 118.4059 4.377829 141.1236       10.33631      141.1236       10.33631      141.1236       10.33631      118.4059 4.377829 118.4059 4.377829 0.000000       0.000000 
1 1 1 8  28 1  o 45.89282 6.112916 21.99743       5.468539      25.72388       7.778800      18.27097       7.686701      50.32466 7.728617 41.46098 9.473089 8.863682       12.22583 
1 1 1 8  28 2  o 99.57249 3.562165 99.96254       7.058305      106.6220       9.464915      93.23225       10.47092      102.9679 4.596052 96.17706 5.443563 6.790848       7.124330 
1 1 1 8  28 3  o 53.22884 5.847919 28.86941       6.238626      29.88958       9.429493      27.85633       8.168448      54.11255 8.712852 52.34515 7.802490 1.767399       11.69584 
1 1 1 8  28 4  o 54.50399 6.028505 31.07978       6.427074      37.78882       9.790804      24.37074       8.324308      60.92062 8.035706 48.08736 8.988822 12.83326       12.05701 
1 1 1 8  28 5  f 41.33812 7.371890 18.27806       6.173449      14.49492       8.940661      22.05410       8.515590      37.15429 11.14931 45.52195 9.647381 -8.367668      14.74378 
1 1 1 8  28 6  o 21.38340 6.636494 -5.041343      5.924074      4.925157       9.386987      -15.00501      7.226208      28.31557 11.20289 14.45123 7.118110 13.86434       13.27299 
1 1 1 8  28 7  o 125.8265 3.318958 159.4016       8.352647      159.1891       12.90091      159.5433       10.60552      125.6760 5.132607 125.9771 4.209307 -0.3010941     6.637915 
1 1 1 8  28 8  o 47.44675 5.954257 23.42850       5.494752      20.74347       7.842561      26.12062       7.693786      44.21497 9.175667 50.67854 7.590774 -6.463566      11.90851 
1 1 1 8  28 9  o 61.21908 4.968981 38.02969       6.065764      36.67655       9.103605      39.38992       8.019674      60.05521 7.579365 62.38295 6.427778 -2.327744      9.937963 
1 1 1 8  28 10 o 155.5848 2.802923 243.2823       8.721042      239.1733       12.27038      247.3914       12.39791      154.2683 3.976962 156.9014 3.950860 -2.633072      5.605847 
1 1 1 8  28 11 o 202.0587 2.786598 410.6187       11.26438      398.0082       15.65678      423.2291       16.19521      198.9570 3.934716 205.1604 3.946963 -6.203415      5.573196 
1 1 1 8  28 12 o 80.06223 3.929214 64.90835       6.290343      59.38951       8.643111      70.42719       9.139028      76.63970 5.638795 83.48475 5.473472 -6.845047      7.858429 
1 1 1 8  28 13 o 25.17992 7.059136 3.513212       5.365105      1.004585       7.403321      6.021840       7.771716      22.78022 9.574886 27.57961 10.37531 -4.799387      14.11827 
1 1 1 8  28 14 f 88.37167 4.036822 79.20491       7.105771      73.53729       10.38590      84.80168       9.691620      85.14712 6.098799 91.59624 5.290403 -6.449120      8.073644 
1 1 1 8  28 15 o 36.08273 6.361009 10.57010       6.278300      -6.255630      8.976085      27.38875       8.784801      20.55999 9.455372 51.60547 8.511502 -31.04548      12.72202 
1 1 1 8  28 16 o 75.33375 4.965935 57.99386       7.438744      53.02761       10.81097      62.95303       10.23004      71.99865 7.507762 78.66885 6.501966 -6.670197      9.931870 
1 1 1 8  28 17 o 55.65657 8.289635 34.29615       8.961915      29.29448       12.24205      39.29782       13.09219      51.33893 12.10552 59.97422 11.32822 -8.635284      16.57927 
1 1 1 8  28 18 o 106.3760 15.76728 129.3633       33.54519      129.3633       33.54519      ?              ?             106.3760 15.76728 ?        ?        ?              ?        
1 1 1 8  28 19 o 33.76199 8.246308 11.56193       6.820265      9.195704       8.713958      13.92816       10.49926      31.06460 11.08068 36.45939 12.21577 -5.394796      16.49262 
1 1 1 8  28 20 o 83.74571 4.538982 71.83701       7.594603      72.04955       9.500339      71.55363       11.85240      84.11037 5.647543 83.38106 7.107368 0.7293091      9.077964 
1 1 1 8  28 21 o 57.98389 5.346823 34.89833       6.176282      36.74031       8.281801      33.05636       9.160281      59.68039 6.938461 56.28738 8.137065 3.393002       10.69365 
1 1 1 8  28 22 o 69.58353 4.616061 50.11588       6.432742      43.70439       8.536844      56.52737       9.627860      65.10520 6.556192 74.06184 6.499878 -8.956642      9.232121 
1 1 1 8  28 23 o 42.26883 6.769666 19.92166       5.968707      29.30865       8.274716      10.53468       8.600604      52.78162 7.838635 31.75604 11.03944 21.02558       13.53933 
1 1 1 8  28 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  28 25 f 80.36155 4.060501 66.80700       6.517756      67.99012       8.798972      65.62389       9.620775      81.22066 5.416707 79.50243 6.050617 1.718231       8.121002 
1 1 1 8  28 26 o 95.00632 4.271285 94.22409       8.154280      88.91070       10.13086      99.53748       12.78047      92.67940 5.465540 97.33324 6.565316 -4.653847      8.542570 
1 1 1 8  28 27 o 43.33316 6.829668 22.12495       5.780967      21.74947       7.750463      22.50043       8.579351      43.22016 9.236376 43.44617 10.06314 -0.2260094     13.65934 
1 1 1 8  28 28 o 49.31888 7.346653 29.26614       7.082392      27.23997       8.515590      31.29940       11.32106      48.51765 9.111354 50.12011 11.52720 -1.602459      14.69331 
1 1 1 8  28 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  28 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  28 31 o 45.64998 5.922136 25.99310       5.200036      15.77722       6.981084      36.20897       7.707955      34.68360 9.692734 56.61636 6.807180 -21.93277      11.84427 
1 1 1 8  28 32 o 20.16519 6.131283 2.711953       4.506462      0.2876314      6.003421      5.136275       6.722499      18.00430 8.064348 22.32608 9.237794 -4.321781      12.26257 
1 1 1 8  28 33 o 25.55770 6.635847 9.394071       4.500085      6.884734       5.795844      11.90199       6.886859      22.99032 8.873801 28.12509 9.868814 -5.134766      13.27169 
1 1 1 8  29 0  o 17.41869 10.92118 2.130315       7.686701      2.130315       7.686701      2.130315       7.686701      17.41869 10.92118 17.41869 10.92118 0.000000       0.000000 
1 1 1 8  29 1  o 33.68703 7.218648 11.69654       5.387067      8.515590       7.537927      14.88457       7.700871      29.98940 10.34362 37.38465 10.07199 -7.395248      14.43730 
1 1 1 8  29 2  o 97.34392 3.418656 95.42845       6.650945      92.66550       9.450747      98.19141       9.365732      95.92172 4.926280 98.76611 4.741370 -2.844383      6.837311 
1 1 1 8  29 3  o 113.3836 3.140379 129.4341       7.119940      138.7149       10.32923      120.2243       9.804973      117.4434 4.397532 109.3237 4.484376 8.119736       6.280758 
1 1 1 8  29 4  o 17.00570 5.688439 -8.657280      5.163197      -11.23604      7.353730      -6.070015      7.247461      15.94245 7.693042 18.06896 8.381556 -2.126513      11.37688 
1 1 1 8  29 5  o 73.98389 4.126334 55.52845       6.075682      48.60688       8.508506      62.44294       8.678535      69.31616 6.137462 78.65163 5.517073 -9.335464      8.252667 
1 1 1 8  29 6  o 84.10566 4.031992 71.55363       6.796887      67.18248       9.025676      75.94603       10.16628      81.55436 5.533534 86.65696 5.865820 -5.102600      8.063985 
1 1 1 8  29 7  o 101.0487 3.744261 103.4340       7.573349      92.66550       10.20879      114.1316       11.18645      95.78355 5.329094 106.3138 5.261055 -10.53023      7.488521 
1 1 1 8  29 8  o 70.27561 5.237825 50.42760       7.382068      54.08321       11.12978      46.76490       9.705790      72.78471 7.645683 67.76651 7.161200 5.018204       10.47565 
1 1 1 8  29 9  o 35.82679 8.440377 12.88674       7.112856      14.30364       9.918325      11.46984       10.19462      37.12496 11.85495 34.52861 12.01749 2.596348       16.88075 
1 1 1 8  29 10 o 116.7938 3.878484 137.9356       9.075267      144.5242       13.39682      131.2761       12.23496      119.5748 5.601859 114.0129 5.365607 5.561951       7.756968 
1 1 1 8  29 11 o 92.41850 4.308593 86.92703       7.842561      76.15857       11.88074      97.69550       10.23713      86.49943 6.867523 98.33759 5.205094 -11.83816      8.617186 
1 1 1 8  29 12 o 61.44354 5.171262 38.55395       6.353395      37.82424       9.174451      39.28365       8.784801      60.82161 7.542099 62.06547 7.077045 -1.243866      10.34252 
1 1 1 8  29 13 o 24.84676 7.288875 1.556469       6.054429      4.568805       8.310139      -1.455160      8.806056      26.73388 10.55222 22.95964 10.05790 3.774240       14.57775 
1 1 1 8  29 14 o 70.89255 5.218517 51.70990       7.289969      59.60913       9.932493      43.81774       10.66928      76.51873 6.490238 65.26637 8.173646 11.25236       10.43703 
1 1 1 8  29 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  29 16 o 67.78693 6.468509 48.36600       8.713958      41.75615       12.20662      54.96877       12.44041      62.94455 9.696332 72.62932 8.564319 -9.684772      12.93702 
1 1 1 8  29 17 o 43.12046 7.377895 20.50968       6.337809      16.86115       8.721042      24.15821       9.195704      39.18615 10.79086 47.05478 10.06433 -7.868629      14.75579 
1 1 1 8  29 18 o 24.99935 7.395209 1.642900       6.276175      -1.452326      8.770633      4.738834       8.976085      22.70546 9.991421 27.29324 10.90541 -4.587778      14.79042 
1 1 1 8  29 19 o 43.57991 7.437800 21.15437       6.531217      15.48676       9.365732      26.81490       9.103605      37.49689 11.44339 49.66292 9.504333 -12.16602      14.87560 
1 1 1 8  29 20 o 30.16330 7.295008 6.108272       6.394486      -5.210663      9.061099      17.42792       9.025676      20.88569 9.560969 39.44091 11.02073 -18.55522      14.59002 
1 1 1 8  29 21 o 131.6052 3.647398 176.8296       9.599521      173.4998       13.34723      180.1593       13.80772      130.3867 5.118326 132.8236 5.197767 -2.436935      7.294796 
1 1 1 8  29 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  29 23 o 22.45806 6.805618 -2.133148      6.016881      5.268047       7.814223      -9.535762      9.146112      26.05410 10.24877 18.86201 8.957038 7.192085       13.61124 
1 1 1 8  29 24 o 75.72628 4.781189 60.41677       7.261631      56.96661       9.443663      63.86693       11.03768      73.75811 6.401779 77.69445 7.103261 -3.936340      9.562379 
1 1 1 8  29 25 o 28.23766 7.400825 6.704079       6.060097      11.73196       7.530843      1.679031       9.493254      31.96037 10.34258 24.51496 10.58867 7.445412       14.80165 
1 1 1 8  29 26 o 33.02433 8.913537 13.07802       8.430575      9.507423       8.706873      16.65570       14.43825      29.58143 11.01071 36.46723 14.02030 -6.885798      17.82707 
1 1 1 8  29 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  29 28 o 36.08609 7.662649 17.80339       6.535468      25.51135       9.046929      10.10252       9.429493      43.89021 10.44345 28.28197 11.21602 15.60823       15.32530 
1 1 1 8  29 29 o 32.26999 7.170134 14.06985       5.407613      7.970083       6.869856      20.17671       8.352647      25.84234 9.747238 38.69764 10.51830 -12.85530      14.34027 
1 1 1 8  29 30 o 49.10696 5.345787 28.29556       5.266631      24.90916       6.897486      31.68905       7.962997      46.25133 7.456528 51.96259 7.662241 -5.711262      10.69157 
1 1 1 8  29 31 o 23.17762 6.580064 6.254212       4.696327      6.611980       6.091977      5.896444       7.148279      23.32082 9.077725 23.03442 9.528059 0.2863998      13.16013 
1 1 1 8  29 32 o 26.36073 6.497778 9.514507       4.619106      14.48075       6.356938      4.548261       6.702662      31.65362 9.381598 21.06784 8.992781 10.58577       12.99556 
1 1 1 8  30 0  o 97.64808 5.111860 96.56198       9.925409      96.56198       9.925409      96.56198       9.925409      97.64808 5.111860 97.64808 5.111860 0.000000       0.000000 
1 1 1 8  30 1  o 36.86558 7.183483 14.42408       5.681075      19.83665       8.140111      9.011506       7.927575      43.03045 9.691589 30.70071 10.60579 12.32974       14.36697 
1 1 1 8  30 2  o 30.36951 7.522137 8.522675       5.700912      10.80389       8.133026      6.242877       7.991336      32.74245 10.75147 27.99657 10.52312 4.745878       15.04427 
1 1 1 8  30 3  o 110.5606 3.332133 123.1998       7.367898      121.5703       10.50634      124.7584       10.32923      109.8327 4.782885 111.2886 4.640739 -1.455933      6.664266 
1 1 1 8  30 4  o 137.6787 3.055587 190.7152       8.409323      191.8487       11.85948      189.6525       11.93741      138.0804 4.294413 137.2771 4.347926 0.8032684      6.111174 
1 1 1 8  30 5  o 108.4137 3.384828 118.4531       7.339560      122.2788       10.52051      114.6983       10.23713      110.1501 4.775534 106.6773 4.798178 3.472824       6.769656 
1 1 1 8  30 6  o 99.72636 3.729313 100.4585       7.431659      98.19141       10.64095      102.7255       10.38590      98.57767 5.397240 100.8751 5.147904 -2.297394      7.458627 
1 1 1 8  30 7  o 120.7883 3.337004 147.1454       8.062181      142.2571       11.28564      152.1046       11.51234      118.7603 4.751435 122.8162 4.686817 -4.055901      6.674008 
1 1 1 8  30 8  o 84.34732 4.583126 72.68716       7.750463      82.95970       11.72488      62.42169       10.14503      90.33347 6.489775 78.36117 6.473251 11.97230       9.166251 
1 1 1 8  30 9  o 27.78386 7.622350 5.020798       6.213830      1.273796       8.508506      8.770633       9.054014      24.38318 10.25743 31.18455 11.27768 -6.801369      15.24470 
1 1 1 8  30 10 o 35.97026 7.222857 10.76847       6.892527      25.41216       9.372816      -3.870272      10.10252      48.64589 9.976981 23.29464 10.44694 25.35124       14.44571 
1 1 1 8  30 11 o 61.17893 6.373458 39.00735       7.792970      32.33374       10.33631      45.68097       11.66112      55.85177 9.253344 66.50609 8.766954 -10.65432      12.74692 
1 1 1 8  30 12 o 44.51927 9.728302 21.29606       9.946663      16.34398       15.55052      26.24814       12.40499      40.60910 14.77064 48.42944 12.66443 -7.820335      19.45660 
1 1 1 8  30 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  30 14 o 134.8695 4.170866 185.8269       11.17937      167.9031       16.16687      203.7507       15.45842      128.1669 6.306962 141.5722 5.459554 -13.40529      8.341732 
1 1 1 8  30 15 o 63.58878 6.311122 42.67713       8.069265      51.78783       12.56085      33.57353       10.13795      70.45535 8.914051 56.72222 8.936485 13.73313       12.62224 
1 1 1 8  30 16 o 54.24449 7.094294 31.62529       7.523758      31.89450       11.71779      31.35607       9.443663      53.66038 11.27607 54.82861 8.611984 -1.168232      14.18859 
1 1 1 8  30 17 f 41.83961 7.394158 19.51076       6.205329      16.30856       8.331393      22.70588       9.202788      38.38224 10.53717 45.29699 10.37605 -6.914753      14.78832 
1 1 1 8  30 18 o 29.89519 7.616113 8.253463       6.016881      3.751961       8.062181      12.75922       8.933578      25.35040 10.24931 34.43998 11.26820 -9.089584      15.23223 
1 1 1 8  30 19 o 58.67984 5.550599 36.37191       6.474541      29.49993       8.770633      43.24390       9.521592      52.93672 8.284074 64.42296 7.389906 -11.48624      11.10120 
1 1 1 8  30 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  30 21 o 31.26634 7.682258 10.27255       5.937534      11.61152       7.877984      8.940661       8.883986      32.41056 10.58155 30.12212 11.13998 2.288448       15.36452 
1 1 1 8  30 22 o 45.29590 8.346981 24.50535       7.700871      28.68521       11.26438      20.33257       10.49926      49.29180 11.60519 41.30000 12.00033 7.991806       16.69396 
1 1 1 8  30 23 o 62.89634 6.355353 43.49186       7.948828      49.70498       11.46984      37.27873       11.00934      67.71505 8.469192 58.07763 9.478125 9.637417       12.71071 
1 1 1 8  30 24 o 48.91274 7.608603 29.13862       7.509589      19.68787       10.32214      38.58229       10.91016      39.47477 12.00682 58.35072 9.348777 -18.87595      15.21721 
1 1 1 8  30 25 o 74.56598 6.372139 62.33667       9.507423      54.45868       12.70963      70.20757       14.14778      69.75127 9.110676 79.38068 8.911351 -9.629410      12.74428 
1 1 1 8  30 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  30 27 o 58.04730 6.087811 39.23406       7.098687      34.53703       9.167366      43.93110       10.84640      54.78108 8.367273 61.31352 8.845029 -6.532440      12.17562 
1 1 1 8  30 28 o 30.94127 6.711206 11.51234       5.185159      18.17887       6.851437      4.841560       7.785885      38.20270 9.087186 23.67984 9.878472 14.52286       13.42241 
1 1 1 8  30 29 o 20.11530 6.186948 0.5774591      4.945702      -5.904946      6.595686      7.060431       7.374983      15.59282 7.465521 24.63779 9.868094 -9.044971      12.37390 
1 1 1 8  30 30 o 37.80910 6.773922 19.81540       5.132025      19.02901       7.155363      20.59469       7.360813      37.01185 9.590454 38.60635 9.569079 -1.594494      13.54784 
1 1 1 8  30 31 o 21.58373 6.478138 5.020089       4.996710      6.925824       6.604896      3.113646       7.502505      22.83635 9.258736 20.33111 9.063161 2.505239       12.95628 
1 1 1 8  31 0  o 97.47894 5.513162 96.49113       10.67637      96.49113       10.67637      96.49113       10.67637      97.47894 5.513162 97.47894 5.513162 0.000000       0.000000 
1 1 1 8  31 1  o 111.7285 3.578515 126.1044       7.991336      128.8674       11.18645      123.3415       11.42024      112.9766 4.950783 110.4804 5.168446 2.496178       7.157030 
1 1 1 8  31 2  o 105.6258 3.686296 112.7855       7.785885      109.2433       10.84640      116.3278       11.17937      103.9660 5.216318 107.2856 5.210099 -3.319542      7.372591 
1 1 1 8  31 3  o 28.56457 7.497963 5.899278       6.036009      0.4533383      8.380984      11.34231       8.685618      23.63538 10.07124 33.49376 11.11071 -9.858377      14.99593 
1 1 1 8  31 4  o 157.6873 3.106906 250.5085       9.797889      247.1788       13.68729      253.9091       14.02734      156.6349 4.369171 158.7397 4.418349 -2.104828      6.213812 
1 1 1 8  31 5  o 75.90450 5.096868 58.87943       7.757547      54.69956       10.18754      63.05929       11.71071      73.26007 6.952994 78.54893 7.454402 -5.288864      10.19374 
1 1 1 8  31 6  o 124.9855 4.101477 158.4807       10.19462      150.9711       15.64970      165.9194       13.07802      121.8440 6.422024 128.1271 5.103534 -6.283096      8.202954 
1 1 1 8  31 7  o 58.93571 6.971373 37.44168       7.842561      26.89991       10.86057      47.99052       11.32106      49.61614 11.20819 68.25529 8.293174 -18.63916      13.94275 
1 1 1 8  31 8  o 37.33585 8.888879 12.91508       8.551013      22.00451       11.75322      3.832016       12.41916      44.51947 12.62053 30.15221 12.52081 14.36726       17.77776 
1 1 1 8  31 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  31 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  31 11 o 47.01959 8.114808 24.68954       7.686701      31.03727       10.88890      18.34182       10.85348      53.28585 10.59368 40.75333 12.29530 12.53253       16.22962 
1 1 1 8  31 12 o 146.1388 3.331922 216.1487       9.741212      213.7399       13.68729      218.5574       13.85732      145.3255 4.709183 146.9520 4.714913 -1.626480      6.663844 
1 1 1 8  31 13 o 45.52092 7.386569 22.79798       6.587893      21.69279       9.202788      23.89608       9.429493      44.38424 10.51521 46.65760 10.37670 -2.273361      14.77314 
1 1 1 8  31 14 o 57.01170 5.753473 33.96318       6.523424      38.46185       9.316141      29.45742       9.131943      60.93739 7.644027 53.08600 8.601085 7.851391       11.50695 
1 1 1 8  31 15 o 30.66425 7.790960 9.082352       6.118898      8.558097       7.984251      9.606606       9.273635      29.75270 10.60720 31.57579 11.41418 -1.823086      15.58192 
1 1 1 8  31 16 o 44.43108 7.356604 22.19580       6.479500      18.05135       8.260548      26.34732       9.989170      40.25228 10.23489 48.60988 10.57003 -8.357597      14.71321 
1 1 1 8  31 17 o 87.44991 4.929325 79.34660       8.621859      77.64632       12.23496      81.11773       12.14286      86.44499 7.076733 88.45482 6.863879 -2.009827      9.858650 
1 1 1 8  31 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  31 19 o 37.62650 9.157077 16.47150       8.444746      21.04102       13.29764      11.90199       10.42133      41.77739 13.74767 33.47561 12.09999 8.301781       18.31415 
1 1 1 8  31 20 o 45.94066 8.736568 25.36966       8.232210      28.60020       12.31998      22.13203       10.92433      48.77994 12.55645 43.10138 12.15097 5.678562       17.47314 
1 1 1 8  31 21 o 31.57993 7.696469 10.05293       6.377483      3.291467       9.054014      16.81156       8.983169      25.37549 10.62350 37.78437 11.13929 -12.40889      15.39294 
1 1 1 8  31 22 o 27.81546 7.542391 7.403321       5.928325      8.494337       7.842561      6.316556       8.891070      28.46813 10.47627 27.16280 10.85350 1.305325       15.08478 
1 1 1 8  31 23 o 74.09029 4.585736 58.45435       6.762172      62.74049       9.294888      54.16822       9.826226      77.11281 6.026812 71.06776 6.913280 6.045044       9.171472 
1 1 1 8  31 24 o 31.48708 9.405527 14.58702       10.36465      25.73805       16.86824      3.439533       12.03660      37.65085 14.97929 25.32331 11.37878 12.32755       18.81105 
1 1 1 8  31 25 o 29.25419 13.50788 0.000000       0.000000      ?              ?             19.17779       18.54727      ?        ?        29.25419 13.50788 ?              ?        
1 1 1 8  31 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  31 27 o 20.22654 6.543630 -1.666279      5.991377      3.693868       9.231127      -7.026425      7.637110      23.72903 10.34705 16.72405 8.013423 7.004978       13.08726 
1 1 1 8  31 28 f 23.73293 7.349516 3.712996       6.927242      8.983169       9.443663      -1.557177      10.13795      26.47583 10.95154 20.99003 9.804354 5.485798       14.69903 
1 1 1 8  31 29 o 21.40994 6.787527 3.618772       5.997045      0.6529800      6.883317      6.584351       9.819141      18.81217 8.520422 24.00772 10.56809 -5.195549      13.57505 
1 1 1 8  31 30 o 24.50524 7.048320 9.386987       5.696661      8.536844       6.143694      10.23004       9.592437      24.11671 9.181948 24.89377 10.69613 -0.7770557     14.09664 
1 1 1 8  32 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  32 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  32 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  32 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  32 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  32 5  o 26.53963 8.226984 -3.539425      8.784801      -13.82898      11.26438      6.748711       13.48892      20.44471 9.780769 32.63456 13.23139 -12.18985      16.45397 
1 1 1 8  32 6  o 50.00840 8.063659 27.77839       7.892153      28.81982       11.37065      26.72989       10.94558      50.94910 11.44006 49.06770 11.36730 1.881405       16.12732 
1 1 1 8  32 7  o 98.44238 4.829915 99.39579       9.486169      96.77451       14.37449      102.0171       12.37665      96.92514 7.415253 99.95963 6.190826 -3.034485      9.659829 
1 1 1 8  32 8  o 70.29980 5.948673 51.61780       8.402238      43.85316       10.80389      59.38243       12.87257      65.01383 8.308916 75.58577 8.515207 -10.57194      11.89735 
1 1 1 8  32 9  o 75.73579 4.858936 58.90777       7.346645      62.51378       10.33631      55.30175       10.44258      78.12652 6.615111 73.34505 7.118802 4.781464       9.717872 
1 1 1 8  32 10 o 27.71547 7.524680 4.375398       6.350562      11.37065       9.124859      -2.622689      8.834394      33.35393 11.38820 22.07701 9.838303 11.27691       15.04936 
1 1 1 8  32 11 o 68.61215 5.079770 48.76274       6.954163      54.79166       10.10252      42.73381       9.557014      72.94507 6.924747 64.27923 7.433984 8.665840       10.15954 
1 1 1 8  32 12 o 81.92300 4.376912 68.81192       7.169532      68.57813       10.19462      69.05280       10.08835      81.76727 6.233925 82.07874 6.145535 -0.3114624     8.753823 
1 1 1 8  32 13 o 61.41444 5.474984 39.32616       6.723916      37.24331       9.344479      41.41609       9.670367      59.76005 7.818333 63.06884 7.666517 -3.308788      10.94997 
1 1 1 8  32 14 o 28.67933 7.980508 6.306637       6.731000      4.954912       8.820225      7.658363       10.17337      27.03501 10.80694 30.32365 11.74581 -3.288637      15.96102 
1 1 1 8  32 15 o 25.62169 7.649894 1.261044       6.939993      -3.817138      9.797889      6.339935       9.826226      22.38120 10.14970 28.86217 11.44846 -6.480970      15.29979 
1 1 1 8  32 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  32 17 o 38.08952 8.213625 14.67912       8.579351      34.38825       13.53143      -5.020798      10.55593      53.62828 12.77958 22.55076 10.32167 31.07752       16.42725 
1 1 1 8  32 18 o 29.96810 7.558612 7.785885       6.327183      15.38049       8.855647      0.1861811      9.039845      36.47827 11.12639 23.45792 10.23396 13.02035       15.11722 
1 1 1 8  32 19 o 54.96315 6.404804 33.53811       6.736668      37.95884       8.926493      29.11737       10.09544      59.70999 7.474874 50.21630 10.40251 9.493690       12.80961 
1 1 1 8  32 20 o 24.01797 7.303369 1.365187       6.458246      3.711579       8.388069      -0.9812057     9.819141      24.79436 10.29263 23.24157 10.36429 1.552786       14.60674 
1 1 1 8  32 21 o 50.75206 7.457186 32.19205       7.729208      48.85484       11.44858      15.52926       10.38590      66.14387 8.654303 35.36025 12.14667 30.78362       14.91437 
1 1 1 8  32 22 o 50.38575 7.687153 32.36916       8.232210      13.58102       11.27147      51.16439       12.00826      33.51325 12.51712 67.25825 8.926977 -33.74500      15.37431 
1 1 1 8  32 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  32 24 o 30.76391 8.661080 11.70362       8.048012      14.84206       11.97992      8.558097       10.74721      33.09944 12.76157 28.42838 11.71322 4.671062       17.32216 
1 1 1 8  32 25 o 22.28256 7.136970 -0.4060138     6.998795      -10.42841      8.019674      9.620775       11.46984      16.01028 7.797423 28.55484 11.95598 -12.54456      14.27394 
1 1 1 8  32 26 o 28.62075 7.664274 11.31397       6.124566      7.318307       7.892153      15.30964       9.372816      25.12615 10.14807 32.11536 11.48830 -6.989210      15.32855 
1 1 1 8  32 27 o 22.44172 6.574480 4.269130       5.208537      -3.139858      6.570182      11.67529       8.083434      16.61240 7.791296 28.27104 10.59202 -11.65864      13.14896 
1 1 1 8  32 28 o 22.62753 6.556709 5.168156       5.112188      -0.3969455     7.289969      10.73304       7.169532      18.43253 8.494864 26.82252 9.989945 -8.389992      13.11342 
1 1 1 8  33 0  o 15.50208 10.54358 -3.775340      9.493254      -3.775340      9.493254      -3.775340      9.493254      15.50208 10.54358 15.50208 10.54358 0.000000       0.000000 
1 1 1 8  33 1  o 44.55042 7.826803 21.97617       6.965498      19.72330       9.996255      24.22905       9.705790      42.15797 11.52810 46.94286 10.58954 -4.784885      15.65361 
1 1 1 8  33 2  o 65.34944 5.596369 44.56870       7.212039      36.12396       10.18754      53.02053       10.20170      58.88705 8.650065 71.81184 7.103081 -12.92478      11.19274 
1 1 1 8  33 3  o 25.15028 7.593491 0.8380985      6.767131      1.581973       9.379901      0.9486170E-01  9.762465      25.40855 10.73316 24.89201 10.74447 0.5165443      15.18698 
1 1 1 8  33 4  o 71.23447 5.262948 52.56004       7.474166      59.22657       10.78264      45.90059       10.34340      75.86443 7.106517 66.60452 7.764786 9.259911       10.52590 
1 1 1 8  33 5  o 72.05180 5.712409 54.05487       8.303054      59.07779       13.18429      49.02486       10.09544      75.17084 8.769549 68.93278 7.322669 6.238060       11.42482 
1 1 1 8  33 6  o 27.33562 7.833271 3.231957       6.925116      7.828392       9.259464      -1.363770      10.30089      30.06256 11.32186 24.60869 10.82848 5.453871       15.66654 
1 1 1 8  33 7  f 112.2074 3.859384 128.3715       8.657280      123.8374       12.15703      132.8347       12.33415      110.2182 5.514985 114.1966 5.400400 -3.978401      7.718768 
1 1 1 8  33 8  f 29.92463 7.929034 7.061847       6.728167      12.57502       9.592437      1.551509       9.436578      34.54855 11.67634 25.30071 10.73040 9.247837       15.85807 
1 1 1 8  33 9  o 52.52703 6.863832 30.14462       6.950621      30.44926       9.627860      29.84707       10.02459      52.89986 9.439807 52.15420 9.966887 0.7456589      13.72766 
1 1 1 8  33 10 o 37.40640 7.646636 15.23880       6.458246      7.885069       9.103605      22.59253       9.167366      29.79720 11.22534 45.01561 10.38634 -15.21841      15.29327 
1 1 1 8  33 11 o 25.12890 7.664562 0.1941158      7.105771      -3.268796      9.925409      3.657028       10.17337      22.90692 10.31068 27.35088 11.34337 -4.443962      15.32912 
1 1 1 8  33 12 o 30.27815 8.247385 7.856731       7.091603      9.330310       9.642029      6.383151       10.40007      31.20388 11.59243 29.35242 11.73426 1.851456       16.49477 
1 1 1 8  33 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  33 14 o 55.19375 7.868638 35.29507       8.579351      44.40576       12.87965      26.18438       11.34231      63.40611 10.15648 46.98139 12.02114 16.42472       15.73728 
1 1 1 8  33 15 o 20.91014 6.695777 -3.700952      6.086309      -0.7424575     8.430575      -6.659447      8.777717      22.25976 9.795548 19.56051 9.131317 2.699245       13.39155 
1 1 1 8  33 16 o 46.94355 7.283870 25.40508       6.656613      24.86666       9.089437      25.94350       9.727042      46.57244 10.04463 47.31465 10.55104 -0.7422104     14.56774 
1 1 1 8  33 17 o 24.63448 7.325617 2.656694       6.164238      0.9330309      8.699788      4.381066       8.735210      23.39692 10.12152 25.87203 10.59309 -2.475109      14.65123 
1 1 1 8  33 18 o 25.24509 7.374912 3.268796       6.322932      -2.529881      8.437660      9.068183       9.415324      20.75999 9.416439 29.73020 11.35288 -8.970209      14.74982 
1 1 1 8  33 19 o 35.69894 7.935508 15.64262       6.352687      17.61211       9.011506      13.66603       8.954830      37.77712 11.16311 33.62075 11.28159 4.156372       15.87102 
1 1 1 8  33 20 o 63.91692 6.145060 45.71639       7.856731      46.20523       11.32814      45.22048       10.88890      64.15186 8.829163 63.68198 8.549439 0.4698830      12.29012 
1 1 1 8  33 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  33 22 o 32.45274 8.257803 12.87965       7.396237      18.62520       9.557014      7.134109       11.28564      37.15067 11.60504 27.75480 11.75110 9.395864       16.51561 
1 1 1 8  33 23 o 21.74251 7.087488 -0.4595018     7.247461      -1.237665      7.807138      0.3184491      12.21371      19.58486 8.931227 23.90016 11.00741 -4.315296      14.17498 
1 1 1 8  33 24 o 20.34278 6.568465 -0.8706872     5.955245      -6.066473      7.275800      4.325806       9.429493      16.59150 7.919015 24.09407 10.48180 -7.502569      13.13693 
1 1 1 8  33 25 o 23.38677 7.274864 2.902527       6.962664      -2.689283      10.39299      8.494337       9.266549      20.70420 9.727599 26.06934 10.81981 -5.365139      14.54973 
1 1 1 8  33 26 o 33.16088 7.381610 16.62736       5.848978      11.97992       8.749379      21.26772       7.764632      27.79252 10.86649 38.52924 9.993598 -10.73672      14.76322 
1 1 1 8  33 27 o 23.46186 6.962127 7.091603       5.734918      11.70362       8.118857      2.483832       8.104689      26.70300 10.46208 20.22073 9.188568 6.482265       13.92425 
1 1 1 8  34 0  o 18.51937 11.75066 2.263504       9.188620      2.263504       9.188620      2.263504       9.188620      18.51937 11.75066 18.51937 11.75066 0.000000       0.000000 
1 1 1 8  34 1  o 20.59179 6.699829 -6.721082      6.485876      -11.65403      9.153197      -1.789549      9.195704      18.28536 8.764254 22.89821 10.13601 -4.612856      13.39966 
1 1 1 8  34 2  o 46.48927 6.927277 24.64704       6.767131      8.728126       9.202788      40.57304       9.925409      30.65354 11.33778 62.32499 7.962625 -31.67145      13.85455 
1 1 1 8  34 3  o 30.15574 7.786946 7.233293       6.612689      14.38157       9.422408      0.8444745E-01  9.280719      36.20077 11.55427 24.11071 10.44246 12.09006       15.57389 
1 1 1 8  34 4  o 48.15197 7.509483 25.90808       7.052638      28.39475       9.712874      23.42141       10.23004      50.79985 9.913589 45.50409 11.28229 5.295761       15.01897 
1 1 1 8  34 5  o 88.39958 4.449337 80.55096       7.842561      73.89152       11.16520      87.21041       11.00934      84.61491 6.597655 92.18425 5.971379 -7.569336      8.898675 
1 1 1 8  34 6  o 41.35902 7.436723 19.33365       6.943536      32.70922       10.37173      5.958079       9.231127      54.52634 9.873549 28.19171 11.12351 26.33463       14.87345 
1 1 1 8  34 7  o 83.55159 5.715209 73.60814       9.592437      66.40318       12.34832      80.83435       14.69329      79.61004 7.755500 87.49314 8.396825 -7.883102      11.43042 
1 1 1 8  34 8  f 29.55703 8.476940 5.985709       7.821308      6.634651       11.00226      5.336767       11.11561      29.96236 12.03122 29.15169 11.94503 0.8106670      16.95388 
1 1 1 8  34 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  34 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  34 11 o 26.67139 7.590023 4.901069       6.236501      3.387108       8.905238      6.415030       8.735210      25.56149 10.60777 27.78128 10.85859 -2.219788      15.18005 
1 1 1 8  34 12 o 31.00513 7.811519 9.613690       6.286093      5.414697       8.791886      13.81481       8.983169      27.02935 10.79516 34.98092 11.29353 -7.951576      15.62304 
1 1 1 8  34 13 o 37.11515 6.889094 13.35432       6.826642      -3.940409      9.790804      30.65471       9.514507      21.99471 10.02252 52.23558 9.454496 -30.24086      13.77819 
1 1 1 8  34 14 o 31.06990 7.925080 10.26547       6.320807      10.06710       8.933578      10.47092       8.940661      30.87931 11.19895 31.26050 11.21655 -0.3811893     15.85016 
1 1 1 8  34 15 o 64.65857 5.389868 44.92293       6.965498      47.77798       10.02459      42.06786       9.677451      66.78271 7.505380 62.53442 7.737700 4.248299       10.77974 
1 1 1 8  34 16 f 54.35763 6.591681 33.88525       6.928658      38.10054       9.627860      29.66996       9.967916      58.78392 8.189195 49.93134 10.33142 8.852581       13.18336 
1 1 1 8  34 17 o 19.13058 6.510653 -11.76738      7.332476      -10.70471      9.762465      -12.83715      10.95267      18.79235 9.017873 19.46881 9.393210 -0.6764679     13.02131 
1 1 1 8  34 18 o 51.22831 8.655020 35.35883       8.933578      24.72497       11.27147      45.99269       13.86440      42.82100 12.43108 59.63562 12.04599 -16.81462      17.31004 
1 1 1 8  34 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  34 20 o 21.64919 6.952381 -0.9833311     6.556013      -1.686115      8.579351      -0.2799093     9.918325      20.64167 9.399539 22.65672 10.24652 -2.015041      13.90476 
1 1 1 8  34 21 o 23.02458 9.968548 3.575556       8.451830      3.575556       8.451830      ?              ?             23.02458 9.968548 ?        ?        ?              ?        
1 1 1 8  34 22 o 54.98408 5.910886 36.21606       6.179117      43.76107       8.699788      28.66396       8.777717      62.25744 6.986947 47.71072 9.536082 14.54672       11.82177 
1 1 1 8  34 23 o 17.48504 5.831159 -4.226623      5.314805      -6.730292      7.190785      -1.722955      7.828392      15.99139 7.689710 18.97869 8.768010 -2.987297      11.66232 
1 1 1 8  34 24 o 19.78586 6.260775 0.9436577      5.222707      -3.659153      6.925116      5.546469       7.821308      16.68988 7.870255 22.88184 9.739008 -6.191959      12.52155 
1 1 1 8  34 25 o 29.54384 7.329959 13.53143       5.698786      8.933578       8.310139      18.13637       7.800055      24.90682 10.28612 34.18086 10.44552 -9.274038      14.65992 
1 1 1 8  35 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  35 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  35 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  35 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  35 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  35 5  o 35.45746 13.77762 0.000000       0.000000      ?              ?             12.66712       14.02026      ?        ?        35.45746 13.77762 ?              ?        
1 1 1 8  35 6  o 34.01366 8.500609 10.50634       8.133026      21.99743       11.88074      -0.9776635     11.10852      42.88653 12.84898 25.14079 11.13307 17.74574       17.00122 
1 1 1 8  35 7  o 57.41160 6.600760 36.76865       7.183701      26.39691       10.05293      47.14038       10.25838      48.01847 10.73919 66.80473 7.677886 -18.78626      13.20152 
1 1 1 8  35 8  o 37.54231 8.221365 16.09602       7.024299      11.41316       10.08835      20.77889       9.776634      32.91192 11.90424 42.17271 11.34250 -9.260792      16.44273 
1 1 1 8  35 9  o 35.41386 7.649408 12.97884       6.939993      24.53369       9.819141      1.421154       9.812057      45.85537 10.86028 24.97236 10.77535 20.88301       15.29882 
1 1 1 8  35 10 o 31.38076 7.948916 10.42841       6.415030      8.366816       9.337394      12.49000       8.798972      29.55151 11.29964 33.21001 11.18298 -3.658499      15.89783 
1 1 1 8  35 11 o 40.50870 7.937491 19.51076       6.660863      20.88516       9.833311      18.13637       8.990252      41.83068 11.43161 39.18672 11.01515 2.643959       15.87498 
1 1 1 8  35 12 o 82.43506 4.487420 71.55363       7.396237      70.20757       10.50634      72.89968       10.41424      81.59945 6.437752 83.27068 6.253246 -1.671227      8.974839 
1 1 1 8  35 13 o 40.81453 8.317554 20.25464       8.033843      30.39967       10.54885      10.10252       12.12161      50.15709 10.82385 31.47198 12.63215 18.68511       16.63511 
1 1 1 8  35 14 o 32.88553 8.767666 12.58210       7.920490      9.025676       10.13795      16.14561       12.17829      29.79406 11.68721 35.97701 13.07275 -6.182945      17.53533 
1 1 1 8  35 15 o 52.18933 8.716045 34.35283       8.990252      33.59478       11.67529      35.10379       13.67312      52.35844 11.46374 52.02022 13.13242 0.3382149      17.43209 
1 1 1 8  35 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  35 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  35 18 o 25.70348 7.283040 4.341393       6.346311      12.49000       8.820225      -3.806511      9.124859      31.23299 11.14731 20.17397 9.375937 11.05902       14.56608 
1 1 1 8  35 19 o 22.35278 6.850554 2.466121       5.788759      5.445160       7.863815      -0.5127774     8.494337      24.03331 9.970575 20.67225 9.397235 3.361063       13.70111 
1 1 1 8  35 20 o 32.13588 6.759029 12.29164       5.719331      22.95384       7.863815      1.629439       8.310139      42.53055 9.488688 21.74121 9.628225 20.78934       13.51806 
1 1 1 8  35 21 f 22.58176 6.784004 3.857520       5.513172      7.318307       7.537927      0.3955286      8.048012      24.84829 9.966482 20.31522 9.206524 4.533070       13.56801 
1 1 1 8  35 22 o 35.24897 7.310602 18.11511       5.488376      17.75380       7.580434      18.47642       7.934660      35.05066 10.20068 35.44728 10.47500 -0.3966141     14.62120 
1 1 1 8  35 23 o 26.95061 6.936398 10.29380       5.204287      15.58594       7.367898      5.009462       7.353730      32.01034 10.21728 21.89087 9.384122 10.11947       13.87280 
1 1 1 8  35 24 f 21.42870 6.326160 4.436325       4.983958      10.64803       6.927950      -1.776797      7.169532      25.77890 9.769200 17.07850 8.040144 8.700409       12.65232 
1 1 1 8  36 0  o 17.80532 12.18284 -4.471039      12.99301      -4.471039      12.99301      -4.471039      12.99301      17.80532 12.18284 17.80532 12.18284 -0.000000      0.000000 
1 1 1 8  36 1  f 26.38631 8.342559 -1.131397      9.018591      0.6486584      12.83715      -2.911737      12.66712      27.30950 12.04669 25.46313 11.54428 1.846373       16.68512 
1 1 1 8  36 2  o 32.49862 8.841591 10.61969       8.118857      10.27963       11.46984      10.95975       11.49109      32.23433 12.47471 32.76292 12.53302 -0.5285873     17.68318 
1 1 1 8  36 3  o 49.99927 7.895687 29.40783       7.722124      31.78823       10.27255      27.03452       11.53359      52.73590 10.09983 47.26264 12.13923 5.473263       15.79137 
1 1 1 8  36 4  o 34.58418 7.894208 10.32214       7.715039      -2.852935      11.80281      23.49226       9.946663      24.62217 11.15426 44.54618 11.17392 -19.92402      15.78842 
1 1 1 8  36 5  o 58.73275 6.631863 39.28365       7.275800      26.53860       10.30797      52.02869       10.26547      47.48443 11.05134 69.98106 7.334460 -22.49664      13.26373 
1 1 1 8  36 6  f 32.20485 8.201921 10.74013       7.082392      4.257795       9.564099      17.21538       10.44966      26.49450 10.99396 37.91520 12.17452 -11.42070      16.40384 
1 1 1 8  36 7  o 33.20674 7.253960 9.960832       6.691327      -3.617355      9.578268      23.53477       9.344479      21.72676 9.903837 44.68672 10.60159 -22.95996      14.50792 
1 1 1 8  36 8  o 27.70106 7.249145 3.806511       6.496503      -8.586436      9.146112      16.20229       9.224042      18.87006 8.959048 36.53206 11.39894 -17.66200      14.49829 
1 1 1 8  36 9  f 40.17598 8.411994 20.24047       8.104689      7.566265       10.84640      32.90759       12.04368      29.08134 11.83832 51.27062 11.95411 -22.18928      16.82399 
1 1 1 8  36 10 o 23.48295 7.625031 -3.414029      8.196787      -7.190785      10.42841      0.3595393      12.65295      20.78295 9.759624 26.18295 11.71811 -5.400007      15.25006 
1 1 1 8  36 11 o 44.50397 7.607339 18.22138       9.939578      44.85208       11.63278      -8.409323      16.11728      63.21465 9.201015 25.79330 12.11725 37.42134       15.21468 
1 1 1 8  36 12 o 23.72129 7.638116 -10.54885      9.103605      6.733126       11.96575      -27.82799      13.72271      28.86136 12.15380 18.58123 9.254640 10.28012       15.27623 
1 1 1 8  36 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  36 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  36 15 o 24.41352 7.426508 3.614521       6.591435      0.9804973      8.848563      6.247837       9.776634      22.39507 9.924295 26.43196 11.05081 -4.036892      14.85302 
1 1 1 8  36 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  36 17 o 33.06084 7.737323 14.84915       5.965164      14.93416       8.097604      14.77122       8.763549      33.30164 10.71955 32.82003 11.16046 0.4816017      15.47465 
1 1 1 8  36 18 o 25.53563 7.162394 7.601687       5.485542      5.790885       7.566265      9.408240       7.948828      23.91862 9.837027 27.15265 10.41309 -3.234034      14.32479 
1 1 1 8  36 19 o 24.38473 7.033896 6.635359       5.524507      3.059095       7.410406      10.20879       8.196787      21.39450 9.299485 27.37496 10.55568 -5.980457      14.06779 
1 1 1 8  36 20 o 48.43726 6.322730 32.29123       5.916281      49.12404       8.253463      15.45842       8.480167      65.41451 6.308588 31.46001 10.95944 33.95450       12.64546 
1 1 1 8  36 21 o 18.58846 6.035420 -0.5549303     5.234042      1.957452       7.134109      -3.066888      7.658363      19.67854 8.803228 17.49838 8.258837 2.180159       12.07084 
1 1 1 8  36 22 o 32.52249 7.078458 17.10911       5.259546      12.12161       7.197870      22.09661       7.672533      27.18917 10.03286 37.85582 9.987992 -10.66665      14.15692 
1 1 1 8  37 0  o 46.16380 12.69865 27.60837       10.12378      27.60837       10.12378      27.60837       10.12378      46.16380 12.69865 46.16380 12.69865 0.000000       0.000000 
1 1 1 8  37 1  o 34.66404 8.190229 14.13361       7.112856      20.43175       9.755382      7.835476       10.35756      40.38820 11.51356 28.93988 11.65150 11.44832       16.38046 
1 1 1 8  37 2  o 29.85850 8.145051 9.103605       7.042011      4.940743       9.649114      13.26222       10.25838      26.42104 11.00799 33.29596 12.00799 -6.874916      16.29010 
1 1 1 8  37 3  f 35.91641 8.744912 16.23771       7.885069      23.69063       12.24205      8.791886       9.946663      42.36710 13.11444 29.46572 11.57175 12.90138       17.48982 
1 1 1 8  37 4  o 24.37037 7.735600 -1.494125      7.970083      -5.980750      11.37774      2.992500       11.15103      22.31931 10.41023 26.42142 11.44487 -4.102108      15.47120 
1 1 1 8  37 5  o 35.40548 9.723126 14.36740       10.07418      17.32165       13.13470      11.40607       15.27422      37.12273 13.56780 33.68824 13.93095 3.434490       19.44625 
1 1 1 8  37 6  o 34.82155 8.459116 0.8175534      10.47092      32.68088       14.10528      -31.04436      15.48676      49.77949 13.73022 19.86361 9.884716 29.91588       16.91823 
1 1 1 8  37 7  o 29.64873 9.102999 5.827724       10.05293      3.416155       12.22788      8.239295       15.96142      27.36019 11.91976 31.93728 13.76145 -4.577091      18.20600 
1 1 1 8  37 8  o 36.34113 9.748150 21.04810       10.18045      27.09119       13.83606      15.00501       14.94125      40.55888 14.01133 32.12339 13.55686 8.435486       19.49630 
1 1 1 8  37 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  37 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  37 11 o 21.07163 6.941359 -2.839475      7.190785      -5.804345      9.833311      0.1255376      10.49217      19.54146 9.283360 22.60179 10.32226 -3.060329      13.88272 
1 1 1 8  37 12 o 26.68257 7.365849 4.397360       6.672907      -7.814223      9.025676      16.61319       9.833311      18.39645 8.789913 34.96869 11.82203 -16.57224      14.73170 
1 1 1 8  37 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  37 14 o 34.08088 7.855316 15.98267       6.231542      12.92925       8.650196      19.03610       8.976085      31.00613 11.04204 37.15563 11.17574 -6.149502      15.71063 
1 1 1 8  37 15 o 29.16107 7.322104 10.40007       5.890069      16.66987       8.048012      4.137358       8.600604      34.87198 10.60103 23.45016 10.10302 11.42182       14.64421 
1 1 1 8  37 16 o 26.86891 7.322521 9.493254       5.564889      8.338477       7.630026      10.64803       8.104689      25.79770 10.13380 27.94013 10.57276 -2.142429      14.64504 
1 1 1 8  37 17 o 41.89599 7.043680 24.10861       5.825599      23.40016       7.970083      24.82415       8.501422      41.51235 9.754200 42.27963 10.16412 -0.7672768     14.08736 
1 1 1 8  37 18 o 30.69987 7.355373 14.18321       5.678949      18.59686       7.800055      9.769550       8.253463      35.34811 10.36677 26.05162 10.43724 9.296486       14.71075 
1 1 1 8  37 19 o 23.30769 6.818509 6.791928       5.293552      9.379901       7.282885      4.201828       7.686701      25.28785 9.908581 21.32754 9.369539 3.960316       13.63702 
1 1 1 8  37 20 o 22.80717 6.728124 7.580434       5.112188      7.105771       6.928658      8.055097       7.516674      22.42842 9.335209 23.18593 9.691465 -0.7575188     13.45625 
1 1 1 8  38 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  38 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  38 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  38 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  38 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  38 5  o 20.48730 6.900834 -5.943202      7.934660      -3.734249      10.08835      -8.154280      12.25622      20.35640 9.569916 20.61821 9.944986 -0.2618103     13.80167 
1 1 1 8  38 6  o 17.62189 6.056779 -12.30581      6.799012      -15.98267      9.613690      -8.628942      9.613690      16.50216 8.127057 18.74162 8.982718 -2.239452      12.11356 
1 1 1 8  38 7  o 33.54858 8.372694 14.93416       7.212039      20.31131       10.50634      9.557014       9.882903      38.24274 12.20024 28.85443 11.47006 9.388309       16.74539 
1 1 1 8  38 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 8  38 9  o 20.75452 7.068753 -11.12269      9.025676      -3.132065      11.93033      -19.10695      13.53851      22.32450 10.47545 19.18454 9.493894 3.139957       14.13751 
1 1 1 8  38 10 o 37.43851 8.270176 19.92166       6.978250      22.98926       9.748297      16.86115       9.989170      40.59882 11.48890 34.27819 11.89909 6.320625       16.54035 
1 1 1 8  38 11 o 27.78431 7.381337 5.097310       6.986751      20.37507       10.00334      -10.18045      9.762465      37.51712 11.89810 18.05150 8.739093 19.46562       14.76267 
1 1 1 8  38 12 o 22.69124 7.036307 2.837349       6.240043      -2.352060      8.111773      8.026759       9.486169      19.12058 8.868556 26.26189 10.92644 -7.141306      14.07261 
1 1 1 8  38 13 o 19.74967 6.423087 -1.086765      5.857479      -0.1705243     8.225125      -2.003502      8.345562      20.15719 9.185488 19.34215 8.980591 0.8150368      12.84617 
1 1 1 8  38 14 o 20.24158 6.475520 0.6932909      5.656280      -1.537340      7.885069      2.923780       8.111773      18.90514 8.759076 21.57803 9.539813 -2.672895      12.95104 
1 1 1 8  38 15 o 15.11586 5.240881 -10.23713      5.391318      -5.909905      7.707955      -14.56577      7.537927      16.55577 7.961182 13.67596 6.818133 2.879809       10.48176 
1 1 1 8  38 16 o 24.93321 7.074440 8.791886       5.383525      8.862731       7.410406      8.721042       7.814223      25.00499 9.934590 24.86143 10.07446 0.1435585      14.14888 
1 1 1 8  38 17 f 27.17320 7.090412 11.32814       5.571973      17.32873       7.715039      5.326140       8.040927      32.57342 10.46108 21.77299 9.574003 10.80043       14.18082 
1 1 1 8  39 0  o 13.47116 9.559978 -7.764632      9.960832      -7.764632      9.960832      -7.764632      9.960832      13.47116 9.559978 13.47116 9.559978 0.000000       0.000000 
1 1 1 8  39 1  o 28.00484 8.049547 8.820225       7.289969      14.15487       10.49926      3.485583       10.10961      31.72762 12.02557 24.28207 10.70358 7.445555       16.09909 
1 1 1 8  39 2  o 38.86455 7.703590 20.24755       7.651280      4.254253       10.76847      36.23731       10.88182      25.14423 11.06778 52.58487 10.71846 -27.44064      15.40718 
1 1 1 8  39 3  o 46.41744 8.293770 29.94626       7.722124      28.08303       10.86765      31.80948       10.96683      44.62121 11.93954 48.21368 11.51494 -3.592468      16.58754 
1 1 1 8  39 4  o 24.61600 7.805108 2.587266       8.090520      13.33306       13.41099      -8.154280      9.054014      31.19334 12.98577 18.03867 8.663064 13.15468       15.61022 
1 1 1 8  39 5  o 39.39137 6.886202 19.25572       6.991002      3.717247       10.59135      34.79207       9.124859      24.63339 10.89439 54.14935 8.425640 -29.51597      13.77240 
1 1 1 8  39 6  o 31.25505 7.485794 12.71671       6.203912      4.787717       8.756464      20.63720       8.791886      23.94949 10.25247 38.56060 10.91033 -14.61111      14.97159 
1 1 1 8  39 7  f 25.39414 7.361399 6.869148       6.144402      3.234083       8.834394      10.50634       8.543928      22.77903 10.02571 28.00924 10.78174 -5.230206      14.72280 
1 1 1 8  39 8  o 25.09561 7.363519 7.098687       6.099770      5.720040       8.600604      8.473083       8.657280      24.07079 10.22788 26.12044 10.59604 -2.049656      14.72704 
1 1 1 8  39 9  o 33.89815 7.639507 16.81156       6.143694      22.47209       8.777717      11.15812       8.600604      39.64163 10.78607 28.15466 10.82169 11.48697       15.27901 
1 1 1 8  39 10 o 27.29479 7.543576 10.45675       6.015463      12.01534       8.359732      8.898154       8.657280      28.63686 10.76311 25.95272 10.57249 2.684143       15.08715 
1 1 1 8  39 11 o 17.21454 5.798470 -5.934701      5.656280      -11.49109      8.026759      -0.3809345     7.970083      15.10462 7.438982 19.32445 8.896663 -4.219830      11.59694 
1 1 1 8  39 12 o 28.37637 7.549920 12.56085       5.948870      16.30148       8.742295      8.820225       8.069265      31.60799 11.11629 25.14475 10.21926 6.463234       15.09984 
1 1 1 8  39 13 o 21.79799 6.828395 4.194743       5.980750      8.083434       8.862731      0.3032174      8.033843      24.28040 10.35169 19.31558 8.907883 4.964819       13.65679 
1 1 1 8  39 14 o 30.09231 7.183676 13.87149       6.392360      26.36857       9.011506      1.377230       9.068183      40.15170 10.93051 20.03292 9.324416 20.11878       14.36735 
1 1 1 8  40 0  o 17.70018 11.10862 4.672948       7.977167      4.672948       7.977167      4.672948       7.977167      17.70018 11.10862 17.70018 11.10862 -0.000000      0.000000 
1 1 1 8  40 1  o 22.14626 6.855413 3.718663       5.813555      1.741374       7.941744      5.695952       8.494337      20.71939 9.278014 23.57313 10.09481 -2.853741      13.71083 
1 1 1 8  40 2  o 22.91227 7.098416 3.202202       6.548929      12.38374       10.14503      -5.981458      8.281801      28.48303 11.50493 17.34151 8.317843 11.14152       14.19683 
1 1 1 8  40 3  o 28.09612 7.500552 11.29272       5.994919      6.898195       8.458915      15.68512       8.494337      24.25929 10.21745 31.93295 10.98348 -7.673658      15.00110 
1 1 1 8  40 4  o 19.85102 6.442586 0.1730039E-01  5.842602      0.9479085      8.182618      -0.9131943     8.338477      20.26298 9.214388 19.43907 9.006814 0.8239021      12.88517 
1 1 1 8  40 5  o 19.97984 6.534726 -0.3263129E-01 6.149361      -2.916696      7.870899      2.851519       9.450747      17.98248 8.453629 21.97720 9.967283 -3.994722      13.06945 
1 1 1 8  40 6  o 26.46905 7.337749 7.176617       6.800429      -4.870606      9.861650      19.22738       9.365732      18.90384 9.069482 34.03427 11.53754 -15.13043      14.67550 
1 1 1 8  40 7  o 27.06650 7.831816 11.32814       6.867023      15.13253       9.826226      7.523758       9.599521      29.74404 11.53905 24.38896 10.59243 5.355078       15.66363 
1 1 1 8  40 8  o 18.83010 6.302605 -3.528798      6.441952      2.296092       9.273635      -9.351563      8.940661      21.19428 9.689803 16.46592 8.062196 4.728354       12.60521 
1 1 1 8  40 9  o 20.50157 6.607307 2.155819       6.116773      1.017337       9.634944      3.294301       7.537927      20.50476 9.570056 20.49839 9.112632 0.6372452E-02  13.21461 
1 1 1 8  40 10 o 17.94441 5.969933 -1.956744      5.654153      -5.153278      8.423491      1.239791       7.545012      16.90495 8.172507 18.98386 8.704626 -2.078907      11.93987 
1 1 1 8  41 0  o 13.68573 9.382053 -0.6002712     7.785885      -0.6002712     7.785885      -0.6002712     7.785885      13.68573 9.382053 13.68573 9.382053 0.000000       0.000000 
1 1 1 8  41 1  o 21.92513 6.688329 5.156821       5.625815      10.16628       7.778800      0.1470746      8.133026      25.07255 10.09619 18.77771 8.775078 6.294836       13.37666 
1 1 1 8  41 2  o 18.89280 6.133329 0.7792970      5.375732      4.585100       7.608772      -3.026506      7.594603      20.86785 9.230841 16.91775 8.078520 3.950104       12.26666 
1 1 1 8  41 3  o 21.78839 6.715036 4.989626       5.812847      12.51126       8.643111      -2.530590      7.771716      26.37874 10.63397 17.19804 8.202774 9.180698       13.43007 
1 1 1 9  0  1  o 621.8948 6.460731 3870.981       80.33842      3870.981       80.33842      3870.981       80.33842      621.8948 6.460731 621.8948 6.460731 0.000000       0.000000 
1 1 1 9  0  2  o 598.2342 6.224684 3581.932       74.45828      3581.932       74.45828      3581.932       74.45828      598.2342 6.224684 598.2342 6.224684 -0.000000      0.000000 
1 1 1 9  0  3  o 101.6346 2.095249 103.4340       4.254961      103.4340       4.254961      103.4340       4.254961      101.6346 2.095249 101.6346 2.095249 0.000000       0.000000 
1 1 1 9  0  4  o 143.1374 2.545818 205.0968       7.282885      205.0968       7.282885      205.0968       7.282885      143.1374 2.545818 143.1374 2.545818 0.000000       0.000000 
1 1 1 9  0  5  o 387.7018 4.183809 1504.043       32.43292      1504.043       32.43292      1504.043       32.43292      387.7018 4.183809 387.7018 4.183809 0.000000       0.000000 
1 1 1 9  0  6  o 532.9836 5.588085 2843.017       59.55246      2843.017       59.55246      2843.017       59.55246      532.9836 5.588085 532.9836 5.588085 0.000000       0.000000 
1 1 1 9  0  7  o 256.6396 2.990525 659.0018       15.34507      659.0018       15.34507      659.0018       15.34507      256.6396 2.990525 256.6396 2.990525 0.000000       0.000000 
1 1 1 9  0  8  o 114.6145 2.457676 131.5595       5.627941      131.5595       5.627941      131.5595       5.627941      114.6145 2.457676 114.6145 2.457676 0.000000       0.000000 
1 1 1 9  0  9  o 635.0067 6.606315 4036.758       83.88069      4036.758       83.88069      4036.758       83.88069      635.0067 6.606315 635.0067 6.606315 -0.000000      0.000000 
1 1 1 9  0  10 o 24.84566 6.513946 7.311223       2.790592      7.311223       2.790592      7.311223       2.790592      24.84566 6.513946 24.84566 6.513946 -0.000000      0.000000 
1 1 1 9  0  11 o 169.6432 2.396081 287.9857       8.125941      287.9857       8.125941      287.9857       8.125941      169.6432 2.396081 169.6432 2.396081 0.000000       0.000000 
1 1 1 9  0  12 o 285.3304 3.790430 814.7195       21.62195      814.7195       21.62195      814.7195       21.62195      285.3304 3.790430 285.3304 3.790430 0.000000       0.000000 
1 1 1 9  0  13 f 356.8070 3.925470 1273.796       28.00510      1273.796       28.00510      1273.796       28.00510      356.8070 3.925470 356.8070 3.925470 0.000000       0.000000 
1 1 1 9  0  14 o 86.50774 2.909148 75.09589       5.020798      75.09589       5.020798      75.09589       5.020798      86.50774 2.909148 86.50774 2.909148 -0.000000      0.000000 
1 1 1 9  0  15 o 248.4264 2.983904 617.4866       14.82081      617.4866       14.82081      617.4866       14.82081      248.4264 2.983904 248.4264 2.983904 0.000000       0.000000 
1 1 1 9  0  16 o 494.2734 7.442706 2446.284       73.53729      2446.284       73.53729      2446.284       73.53729      494.2734 7.442706 494.2734 7.442706 0.000000       0.000000 
1 1 1 9  0  17 o 615.5043 7.420680 3792.343       91.31944      3792.343       91.31944      3792.343       91.31944      615.5043 7.420680 615.5043 7.420680 -0.000000      0.000000 
1 1 1 9  0  18 o 277.9361 3.268798 772.9209       18.16470      772.9209       18.16470      772.9209       18.16470      277.9361 3.268798 277.9361 3.268798 -0.000000      0.000000 
1 1 1 9  0  19 o 251.5073 3.110841 632.9308       15.64262      632.9308       15.64262      632.9308       15.64262      251.5073 3.110841 251.5073 3.110841 0.000000       0.000000 
1 1 1 9  0  20 o 344.2728 3.921290 1185.948       26.99201      1185.948       26.99201      1185.948       26.99201      344.2728 3.921290 344.2728 3.921290 -0.000000      0.000000 
1 1 1 9  0  21 o 550.7115 5.832856 3035.716       64.22823      3035.716       64.22823      3035.716       64.22823      550.7115 5.832856 550.7115 5.832856 0.000000       0.000000 
1 1 1 9  0  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  0  23 o 220.4627 3.313163 486.4938       14.60119      486.4938       14.60119      486.4938       14.60119      220.4627 3.313163 220.4627 3.313163 0.000000       0.000000 
1 1 1 9  0  24 o 75.07681 3.539421 56.76115       5.289301      56.76115       5.289301      56.76115       5.289301      75.07681 3.539421 75.07681 3.539421 0.000000       0.000000 
1 1 1 9  0  25 o 274.1253 3.782603 752.3758       20.72930      752.3758       20.72930      752.3758       20.72930      274.1253 3.782603 274.1253 3.782603 0.000000       0.000000 
1 1 1 9  0  26 o 211.9975 3.285077 450.0086       13.92108      450.0086       13.92108      450.0086       13.92108      211.9975 3.285077 211.9975 3.285077 0.000000       0.000000 
1 1 1 9  0  27 o 59.22241 4.718641 35.78390       5.519547      35.78390       5.519547      35.78390       5.519547      59.22241 4.718641 59.22241 4.718641 -0.000000      0.000000 
1 1 1 9  0  28 o 236.2610 3.472557 559.0393       16.40066      559.0393       16.40066      559.0393       16.40066      236.2610 3.472557 236.2610 3.472557 0.000000       0.000000 
1 1 1 9  0  29 o 69.33320 3.671119 48.53603       5.060471      48.53603       5.060471      48.53603       5.060471      69.33320 3.671119 69.33320 3.671119 0.000000       0.000000 
1 1 1 9  0  30 o 256.4167 3.672189 658.9310       18.82356      658.9310       18.82356      658.9310       18.82356      256.4167 3.672189 256.4167 3.672189 0.000000       0.000000 
1 1 1 9  0  31 o 308.0211 4.165877 951.4508       25.65304      951.4508       25.65304      951.4508       25.65304      308.0211 4.165877 308.0211 4.165877 0.000000       0.000000 
1 1 1 9  0  32 o 365.4059 4.772261 1340.391       34.86291      1340.391       34.86291      1340.391       34.86291      365.4059 4.772261 365.4059 4.772261 0.000000       0.000000 
1 1 1 9  0  33 o 166.7480 2.705851 278.6341       9.018591      278.6341       9.018591      278.6341       9.018591      166.7480 2.705851 166.7480 2.705851 0.000000       0.000000 
1 1 1 9  0  34 o 265.4245 3.324232 706.3265       17.64045      706.3265       17.64045      706.3265       17.64045      265.4245 3.324232 265.4245 3.324232 0.000000       0.000000 
1 1 1 9  0  35 o 101.6959 3.137962 103.9299       6.368981      103.9299       6.368981      103.9299       6.368981      101.6959 3.137962 101.6959 3.137962 0.000000       0.000000 
1 1 1 9  0  36 o 66.50377 4.204073 44.97252       5.545760      44.97252       5.545760      44.97252       5.545760      66.50377 4.204073 66.50377 4.204073 0.000000       0.000000 
1 1 1 9  0  37 o 56.67282 4.347691 32.85799       4.870606      32.85799       4.870606      32.85799       4.870606      56.67282 4.347691 56.67282 4.347691 0.000000       0.000000 
1 1 1 9  0  38 o 70.14364 3.787023 49.88209       5.280091      49.88209       5.280091      49.88209       5.280091      70.14364 3.787023 70.14364 3.787023 0.000000       0.000000 
1 1 1 9  0  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  0  40 f 18.90453 9.361317 5.535134       4.223081      5.535134       4.223081      5.535134       4.223081      18.90453 9.361317 18.90453 9.361317 0.000000       0.000000 
1 1 1 9  0  41 o 24.03766 9.366826 8.267632       4.276924      8.267632       4.276924      8.267632       4.276924      24.03766 9.366826 24.03766 9.366826 0.000000       0.000000 
1 1 1 9  0  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  0  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  0  44 o 66.20858 3.819798 45.22048       5.022923      45.22048       5.022923      45.22048       5.022923      66.20858 3.819798 66.20858 3.819798 0.000000       0.000000 
1 1 1 9  0  45 o 24.25140 9.159601 8.798972       4.145151      8.798972       4.145151      8.798972       4.145151      24.25140 9.159601 24.25140 9.159601 0.000000       0.000000 
1 1 1 9  1  0  o 108.6423 2.091696 118.1698       4.541176      118.1698       4.541176      118.1698       4.541176      108.6423 2.091696 108.6423 2.091696 0.000000       0.000000 
1 1 1 9  1  1  o 313.4716 2.459831 983.3311       15.42300      978.3719       21.72822      987.5818       21.89116      312.7375 3.473875 314.2057 3.483571 -1.468231      4.919662 
1 1 1 9  1  2  o 239.7035 2.002530 574.7670       9.599521      563.0067       13.34015      586.5272       13.81481      237.2513 2.811396 242.1556 2.852465 -4.904297      4.005060 
1 1 1 9  1  3  o 117.5949 1.482519 138.6440       3.491250      125.6085       4.687826      151.6087       5.175241      112.0682 2.091506 123.1217 2.101677 -11.05351      2.965037 
1 1 1 9  1  4  o 510.5317 3.798424 2608.520       38.79482      2659.528       55.88976      2558.219       53.81400      515.4845 5.421091 505.5790 5.322017 9.905518       7.596848 
1 1 1 9  1  5  o 160.9315 1.756903 259.5768       5.704454      282.3889       9.046929      236.6938       6.947787      168.0261 2.692120 153.8368 2.258168 14.18929       3.513806 
1 1 1 9  1  6  o 217.1185 1.889075 471.5455       8.203872      473.2458       11.63278      469.7744       11.56902      217.5181 2.673980 216.7189 2.669130 0.7991638      3.778150 
1 1 1 9  1  7  o 404.7645 3.074588 1639.358       24.88791      1630.856       35.04002      1647.859       35.35883      403.7154 4.339694 405.8135 4.356537 -2.098083      6.149175 
1 1 1 9  1  8  o 209.5341 1.853884 439.2401       7.771716      426.5588       10.72596      451.9214       11.25021      206.5092 2.596969 212.5590 2.646375 -6.049774      3.707768 
1 1 1 9  1  9  o 386.2208 3.057144 1492.708       23.64812      1474.997       28.60020      1510.419       37.67547      383.9624 3.724349 388.4792 4.849096 -4.516815      6.114287 
1 1 1 9  1  10 o 799.5860 6.028687 6409.363       96.34944      6418.573       118.2406      6400.154       152.2463      800.4093 7.386259 798.7627 9.530132 1.646606       12.05737 
1 1 1 9  1  11 o 609.2835 4.644798 3717.247       56.68323      3680.407       68.55688      3754.086       90.25676      606.3682 5.653074 612.1989 7.371523 -5.830688      9.289597 
1 1 1 9  1  12 o 578.7832 4.415982 3353.811       51.02978      3397.735       63.50562      3309.178       79.91336      582.6748 5.449491 574.8917 6.950297 7.783142       8.831964 
1 1 1 9  1  13 o 633.8241 4.820344 4021.881       61.15356      4007.712       74.52913      4035.342       96.91621      632.8191 5.888660 634.8290 7.633253 -2.009949      9.640688 
1 1 1 9  1  14 o 848.1632 6.185375 7204.955       104.9217      7190.786       148.1373      7219.124       148.6332      847.3301 8.741414 848.9963 8.753465 -1.666138      12.37075 
1 1 1 9  1  15 o 638.5836 4.706812 4082.099       60.11213      4106.187       85.51013      4058.012       84.51830      640.4658 6.675620 636.7015 6.637200 3.764343       9.413625 
1 1 1 9  1  16 o 415.3987 3.883510 1727.206       32.18496      1753.418       37.83841      1700.284       52.07121      418.6405 4.519200 412.1569 6.316916 6.483643       7.767020 
1 1 1 9  1  17 f 701.5487 5.158792 4927.991       72.40377      4817.472       100.1042      5038.509       104.6383      693.6899 7.215345 709.4076 7.375050 -15.71771      10.31758 
1 1 1 9  1  18 o 231.7362 2.229355 537.2189       10.32214      547.8458       13.77939      526.5922       15.36632      234.0325 2.943904 229.4398 3.348660 4.592728       4.458711 
1 1 1 9  1  19 o 552.4294 5.044148 3055.552       55.75515      3046.343       64.39827      3065.471       91.03606      551.6879 5.836476 553.1710 8.228564 -1.483032      10.08830 
1 1 1 9  1  20 o 276.3267 3.041398 765.1279       16.94617      814.7195       27.25414      714.8279       20.14128      285.3431 4.775679 267.3103 3.767398 18.03284       6.082795 
1 1 1 9  1  21 o 372.5788 3.160612 1389.274       23.52768      1414.778       31.50485      1363.770       34.94793      376.0154 4.189303 369.1422 4.733668 6.873230       6.321224 
1 1 1 9  1  22 o 193.0592 2.531900 372.9290       9.762465      380.4386       12.74505      365.4903       14.78539      195.0029 3.267913 191.1155 3.868181 3.887314       5.063801 
1 1 1 9  1  23 o 229.7399 2.689941 528.5050       12.31289      553.7968       16.36524      503.1425       18.40558      235.2612 3.478099 224.2186 4.104383 11.04263       5.379882 
1 1 1 9  1  24 o 309.9772 3.108658 962.7860       19.47534      907.5267       21.14729      1018.045       32.71630      301.1397 3.511209 318.8147 5.130929 -17.67499      6.217316 
1 1 1 9  1  25 o 101.9080 2.300741 104.0007       4.704828      101.9462       5.355187      105.9844       7.736294      100.9352 2.652784 102.8807 3.759836 -1.945526      4.601481 
1 1 1 9  1  26 o 163.9398 1.963334 269.0700       6.429200      276.5796       8.756464      261.4896       9.415324      166.2458 2.633590 161.6338 2.912548 4.611969       3.926669 
1 1 1 9  1  27 o 304.5233 2.712717 929.4888       16.54943      947.9085       25.51135      910.3606       21.09061      307.5534 4.147467 301.4932 3.497692 6.060150       5.425434 
1 1 1 9  1  28 o 288.6849 3.003007 835.2646       17.28622      821.8041       28.28848      849.4337       19.87207      286.1650 4.942687 291.2048 3.412044 -5.039856      6.006014 
1 1 1 9  1  29 o 292.1415 2.648781 855.8098       15.48676      862.1858       23.76147      849.4337       19.86499      293.1620 4.052618 291.1210 3.411810 2.041046       5.297561 
1 1 1 9  1  30 o 94.87602 2.692767 90.46929       5.211371      97.69550       9.188620      83.24309       4.922323      98.59181 4.659930 91.16023 2.699819 7.431580       5.385534 
1 1 1 9  1  31 o 165.3687 2.604717 0.000000       0.000000      ?              ?             273.9583       8.614774      ?        ?        165.3687 2.604717 ?              ?        
1 1 1 9  1  32 o 91.69010 2.475847 84.37660       4.529841      83.52647       7.530843      85.22675       5.037092      91.16341 4.130409 92.21680 2.731114 -1.053391      4.951693 
1 1 1 9  1  33 o 133.1677 2.327187 178.0339       6.208163      180.0176       10.32923      176.0503       6.894653      133.8127 3.859585 132.5228 2.601309 1.289886       4.654375 
1 1 1 9  1  34 o 144.3953 2.400636 209.4892       6.960539      213.8816       11.63986      205.0260       7.630026      145.7996 3.991735 142.9911 2.668007 2.808456       4.801271 
1 1 1 9  1  35 o 145.4268 2.545882 212.7481       7.353730      205.2385       12.02951      220.1868       8.465999      142.7237 4.214267 148.1300 2.857624 -5.406357      5.091764 
1 1 1 9  1  36 o 114.8224 2.741908 132.9764       6.262005      129.2216       10.26547      136.7312       7.169532      113.0221 4.541354 116.6227 3.073816 -3.600563      5.483816 
1 1 1 9  1  37 o 26.58873 5.844498 6.461789       3.851144      3.394901       6.462497      9.528677       4.191200      23.33598 9.275579 29.84147 7.113104 -6.505489      11.68900 
1 1 1 9  1  38 o 125.8279 2.561373 159.9684       6.501462      167.4780       10.95975      152.3880       6.995961      128.5700 4.262173 123.0859 2.841901 5.484024       5.122746 
1 1 1 9  1  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  1  40 o 86.90545 2.709949 76.79617       4.677907      74.10406       7.580434      79.48829       5.482000      85.13326 4.452099 88.67764 3.090971 -3.544373      5.419898 
1 1 1 9  1  41 o 94.66590 2.510200 91.31944       4.765755      93.44479       7.658363      89.26492       5.669739      95.50278 4.009498 93.82902 3.021315 1.673767       5.020400 
1 1 1 9  1  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  1  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  1  44 o 46.28587 2.947220 22.55711       2.716913      21.28897       3.998502      23.83232       3.679699      44.81229 4.461390 47.75944 3.852326 -2.947147      5.894440 
1 1 1 9  1  45 o 37.73600 4.551256 16.69112       3.324764      16.28022       3.741333      17.10203       5.497586      38.59732 4.846623 36.87467 7.704932 1.722656       9.102512 
1 1 1 9  2  0  o 1241.153 12.70903 15444.25       315.4027      15444.25       315.4027      15444.25       315.4027      1241.153 12.70903 1241.153 12.70903 0.000000       0.000000 
1 1 1 9  2  1  o 760.6204 5.557010 5795.844       84.51830      5798.678       119.5867      5792.302       119.5158      760.8295 7.858965 760.4111 7.858631 0.4183960      11.11402 
1 1 1 9  2  2  o 481.9434 3.598266 2324.430       34.67871      2337.891       49.30116      2310.970       48.79816      483.3380 5.100070 480.5487 5.077337 2.789337       7.196532 
1 1 1 9  2  3  o 260.2756 2.308759 677.6342       12.02951      669.2744       15.52926      686.0647       18.37724      258.6696 3.001757 261.8816 3.508692 -3.212036      4.617517 
1 1 1 9  2  4  o 498.7398 3.718875 2489.500       37.09454      2512.878       52.97094      2466.121       51.95077      501.0797 5.285680 496.4000 5.232753 4.679688       7.437749 
1 1 1 9  2  5  o 572.7535 4.231265 3284.382       48.47227      3271.630       68.31601      3296.426       68.77650      571.6733 5.975091 573.8338 5.992719 -2.160461      8.462529 
1 1 1 9  2  6  o 145.6334 1.824847 212.2522       5.315514      203.8924       7.374983      220.5410       7.658363      142.7760 2.582711 148.4908 2.578734 -5.714783      3.649694 
1 1 1 9  2  7  o 235.2406 2.069295 553.7259       9.783719      533.3225       11.56902      574.1293       15.78431      230.9140 2.505049 239.5672 3.294337 -8.653290      4.138590 
1 1 1 9  2  8  o 200.5095 1.958935 402.2589       7.842561      413.3108       10.51342      391.1362       11.63986      203.2770 2.585985 197.7420 2.943194 5.534927       3.917871 
1 1 1 9  2  9  o 141.8428 1.709534 201.2003       4.851478      200.7752       6.400154      201.6962       7.289969      141.6824 2.258628 142.0032 2.566833 -0.3208313     3.419069 
1 1 1 9  2  10 o 467.2554 3.625423 2185.574       33.88525      2181.323       41.43734      2189.116       53.62980      466.8909 4.437584 467.6199 5.734337 -0.7290344     7.250846 
1 1 1 9  2  11 o 296.6677 2.452165 880.6056       14.50201      905.4014       18.33473      855.8098       22.47918      300.8574 3.047081 292.4781 3.842882 8.379303       4.904329 
1 1 1 9  2  12 o 425.1107 3.325850 1807.969       28.22472      1837.015       35.24548      1779.631       44.09404      428.5117 4.112545 421.7097 5.228009 6.802032       6.651700 
1 1 1 9  2  13 f 386.9088 3.074024 1497.667       23.82524      1478.539       28.76314      1516.795       37.99427      384.4587 3.740732 389.3589 4.879080 -4.900177      6.148048 
1 1 1 9  2  14 o 468.4324 3.641948 2195.492       34.14738      2181.323       41.52944      2209.661       54.21782      466.9528 4.446856 469.9119 5.768934 -2.959106      7.283895 
1 1 1 9  2  15 o 684.6016 5.193161 4692.785       71.05771      4709.788       87.42295      4675.782       112.0771      685.9496 6.372404 683.2536 8.201718 2.695984       10.38632 
1 1 1 9  2  16 o 366.0605 3.479909 1341.099       25.50426      1331.181       29.36533      1350.309       41.71364      364.7876 4.024990 367.3335 5.677898 -2.545868      6.959818 
1 1 1 9  2  17 o 212.8352 2.523655 453.2675       10.78972      469.7744       17.30748      436.7605       12.90091      216.7044 3.993337 208.9660 3.086843 7.738373       5.047310 
1 1 1 9  2  18 o 261.0619 2.388763 681.8140       12.48292      673.5251       16.30148      690.0320       18.90858      259.4874 3.141093 262.6364 3.599763 -3.149017      4.777526 
1 1 1 9  2  19 o 243.7836 2.618443 594.8870       12.87965      563.9984       14.44533      625.8463       21.32440      237.4577 3.041664 250.1096 4.263011 -12.65189      5.236887 
1 1 1 9  2  20 o 253.5074 2.864719 643.0616       14.49492      629.7428       22.13203      656.3097       18.73146      250.8777 4.410921 256.1370 3.656533 -5.259277      5.729437 
1 1 1 9  2  21 o 270.0085 2.499856 729.7053       13.55268      694.4953       17.16579      765.1279       20.97726      263.4811 3.257499 276.5359 3.792863 -13.05481      4.999711 
1 1 1 9  2  22 o 108.6047 2.285407 119.4450       5.039926      145.8702       8.118857      93.09056       5.974374      120.7465 3.361944 96.46294 3.096720 24.28354       4.570814 
1 1 1 9  2  23 o 37.35316 4.102478 14.55160       2.984707      19.13528       4.658779      9.967916       3.731416      43.71423 5.328675 30.99209 6.239112 12.72214       8.204956 
1 1 1 9  2  24 o 285.5351 2.758748 816.1365       15.75597      829.5971       22.67046      802.6758       21.89116      287.8874 3.937383 283.1827 3.865200 4.704651       5.517496 
1 1 1 9  2  25 o 208.8930 2.366100 437.4690       9.776634      403.8175       15.28839      471.1205       12.19954      200.8142 3.806601 216.9718 2.811319 -16.15759      4.732201 
1 1 1 9  2  26 o 236.3342 2.279623 559.1810       10.76847      552.0965       16.25897      566.2655       14.11236      234.8169 3.462053 237.8514 2.966633 -3.034546      4.559246 
1 1 1 9  2  27 o 109.5211 2.371239 120.0826       5.195786      120.5076       8.076350      119.7283       6.538302      109.6829 3.681681 109.3593 2.989368 0.3236465      4.742478 
1 1 1 9  2  28 o 108.8517 2.227593 119.2324       4.817472      135.7394       6.844352      102.7255       6.781301      116.4333 2.939174 101.2701 3.348126 15.16315       4.455187 
1 1 1 9  2  29 o 220.6992 2.213360 488.0524       9.783719      494.9953       15.11128      481.1096       12.42624      222.2307 3.399907 219.1678 2.834870 3.062943       4.426721 
1 1 1 9  2  30 o 120.8395 1.930485 146.3661       4.641068      137.7939       6.990294      155.0092       6.106854      117.2639 2.980583 124.4151 2.454225 -7.151245      3.860970 
1 1 1 9  2  31 o 182.3397 2.036057 333.1849       7.424574      334.1767       11.40607      332.2639       9.514507      182.5655 3.123831 182.1140 2.612240 0.4515076      4.072115 
1 1 1 9  2  32 o 74.00612 2.317087 54.94752       3.424656      54.28157       5.294260      55.60638       4.347060      73.53588 3.599780 74.47636 2.918416 -0.9404831     4.634174 
1 1 1 9  2  33 o 75.78337 2.318855 57.65380       3.519589      58.65981       5.423907      56.65489       4.487334      76.41732 3.548873 75.14943 2.985607 1.267891       4.637710 
1 1 1 9  2  34 o 131.3792 2.035817 173.2165       5.333225      167.0529       8.055097      179.3800       6.991711      129.0038 3.122038 133.7546 2.613633 -4.750809      4.071633 
1 1 1 9  2  35 o 107.1527 2.267011 115.3360       4.852895      113.4940       7.304138      117.1779       6.390234      106.2615 3.436870 108.0439 2.957241 -1.782394      4.534022 
1 1 1 9  2  36 o 96.20506 2.359136 93.16142       4.544010      96.63282       6.704788      89.68999       6.135900      97.98278 3.421412 94.42735 3.249006 3.555435       4.718273 
1 1 1 9  2  37 f 49.75476 3.319988 25.36966       3.290758      30.74681       4.936492      19.99251       4.352728      55.11731 4.478169 44.39221 4.902581 10.72510       6.639977 
1 1 1 9  2  38 o 57.32300 3.021685 33.31141       3.454411      31.90158       5.115730      34.72122       4.643193      56.05653 4.563010 58.58946 3.962481 -2.532928      6.043370 
1 1 1 9  2  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  2  40 f 29.63293 5.165018 9.620775       3.078223      8.203872       4.671531      11.03768       4.010545      27.32418 8.025721 31.94168 6.503650 -4.617493      10.33004 
1 1 1 9  2  41 o 81.09281 2.406470 66.94160       3.889400      65.36176       6.089851      68.52146       4.840142      79.95612 3.808246 82.22950 2.943069 -2.273376      4.812940 
1 1 1 9  2  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  2  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  2  44 o 14.14427 4.425679 -0.5651320     2.561762      -1.696742      4.116813      0.5662655      3.049176      14.10062 6.450592 14.18793 6.061057 -0.8730698E-01 8.851358 
1 1 1 9  2  45 o 82.54682 2.118810 70.62556       3.521005      74.38744       5.739168      66.89202       4.079265      84.32539 3.402989 80.76825 2.525290 3.557144       4.237620 
1 1 1 9  3  0  o 53.88901 3.239257 29.35824       3.465038      29.35824       3.465038      29.35824       3.465038      53.88901 3.239257 53.88901 3.239257 0.000000       0.000000 
1 1 1 9  3  1  o 421.5630 3.188821 1778.214       26.89991      1727.206       36.98118      1829.931       39.07111      415.4778 4.450440 427.6481 4.568139 -12.17029      6.377641 
1 1 1 9  3  2  o 332.9503 2.600575 1109.436       17.32165      1089.599       24.10861      1128.564       24.87374      330.0266 3.652526 335.8740 3.702839 -5.847351      5.201150 
1 1 1 9  3  3  o 689.8724 5.214122 4767.172       71.83701      4845.811       89.68999      4688.534       112.1479      695.6928 6.446092 684.0519 8.197326 11.64087       10.42824 
1 1 1 9  3  4  o 346.7990 2.787490 1202.951       19.36907      1188.074       23.38599      1218.537       30.87433      344.6249 3.392963 348.9731 4.423597 -4.348206      5.574980 
1 1 1 9  3  5  o 548.2585 4.202571 3008.795       46.06353      3014.462       56.53445      3003.835       72.75800      548.8168 5.150576 547.7003 6.642137 1.116577       8.405142 
1 1 1 9  3  6  o 364.4531 2.901979 1329.056       21.11186      1349.601       26.34024      1308.510       33.00677      367.2935 3.585721 361.6127 4.563828 5.680756       5.803957 
1 1 1 9  3  7  f 228.3096 2.038558 521.4914       9.344479      507.6057       11.15103      535.3770       14.99084      225.2779 2.474951 231.3414 3.239983 -6.063492      4.077116 
1 1 1 9  3  8  o 328.7506 2.672864 1081.097       17.62628      1057.010       21.04102      1105.893       28.28848      325.0572 3.236510 332.4441 4.254622 -7.386963      5.345728 
1 1 1 9  3  9  o 430.6694 3.357612 1856.144       28.84107      1900.776       36.33649      1812.220       44.80249      435.8452 4.168509 425.4936 5.264767 10.35162       6.715224 
1 1 1 9  3  10 f 644.8874 4.904075 4165.697       63.25058      4160.737       77.36294      4169.947       100.1042      644.6583 6.000305 645.1165 7.758617 -0.4581299     9.808150 
1 1 1 9  3  11 o 280.3736 2.476599 786.3815       13.89274      780.0054       18.06552      792.7576       21.11895      279.2442 3.234718 281.5031 3.751104 -2.258911      4.953199 
1 1 1 9  3  12 f 630.9963 5.670834 3988.583       71.34109      4068.639       84.65999      3907.820       114.8400      637.5142 6.639852 624.4784 9.194878 13.03577       11.34167 
1 1 1 9  3  13 o 489.0359 3.954155 2393.150       38.67439      2389.608       50.62597      2396.692       58.48978      488.6970 5.179688 489.3748 5.975970 -0.6777649     7.908311 
1 1 1 9  3  14 o 1032.216 8.101141 10683.45       167.2655      10676.37       218.9825      10690.54       252.8464      1032.071 10.60888 1032.360 12.24604 -0.2884521     16.20228 
1 1 1 9  3  15 o 446.2631 4.145930 1992.875       37.06620      1973.038       42.25206      2013.420       60.91269      444.0666 4.757402 448.4597 6.791322 -4.393097      8.291860 
1 1 1 9  3  16 o 532.8887 4.588912 2842.309       48.91151      2863.562       69.79667      2821.055       68.53563      534.8785 6.524536 530.8989 6.454679 3.979614       9.177823 
1 1 1 9  3  17 o 117.6313 1.956852 138.4315       4.603519      138.4315       6.517048      138.3606       6.504296      117.6463 2.769763 117.6163 2.765050 0.3006744E-01  3.913705 
1 1 1 9  3  18 o 803.7535 7.604732 6481.625       122.0662      6401.570       187.4563      6561.680       156.4970      798.5384 11.73747 808.9686 9.672626 -10.43018      15.20946 
1 1 1 9  3  19 o 270.1022 2.905382 730.4138       15.89766      778.5886       26.94951      682.7350       16.87532      278.9477 4.830566 261.2567 3.229644 17.69101       5.810763 
1 1 1 9  3  20 o 274.2277 2.861834 752.3758       15.67804      749.5420       26.69446      755.2096       16.46442      273.6812 4.876927 274.7742 2.995991 -1.093018      5.723668 
1 1 1 9  3  21 o 295.5429 3.067300 874.2295       18.21429      896.9000       30.33591      851.5590       20.17671      299.3372 5.067180 291.7487 3.457892 7.588501       6.134601 
1 1 1 9  3  22 o 308.5888 3.005924 953.5761       18.44808      927.3634       30.90975      979.0804       20.13420      304.3485 5.078019 312.8292 3.218082 -8.480652      6.011849 
1 1 1 9  3  23 o 339.7971 3.244383 1155.485       22.10369      1168.946       37.75340      1142.733       22.99634      341.6456 5.525228 337.9485 3.402345 3.697174       6.488767 
1 1 1 9  3  24 o 331.4363 3.294285 1100.226       21.91950      1123.605       36.34358      1076.847       24.51243      334.8723 5.426483 328.0002 3.736649 6.872070       6.588570 
1 1 1 9  3  25 o 269.7207 2.726445 728.2885       14.62953      710.5771       24.59036      746.7082       15.84807      266.2927 4.617167 273.1487 2.900996 -6.855988      5.452890 
1 1 1 9  3  26 o 295.1051 2.549026 872.1042       15.03335      869.2704       23.93150      874.9379       18.21429      294.5694 4.062116 295.6408 3.080477 -1.071411      5.098052 
1 1 1 9  3  27 o 186.6504 1.991202 348.7708       7.438744      349.2667       12.02243      348.2041       8.749379      186.7637 3.218620 186.5370 2.345213 0.2267303      3.982404 
1 1 1 9  3  28 o 222.3308 2.155014 495.1369       9.634944      511.1480       15.73471      479.1259       11.10852      225.8787 3.483001 218.7829 2.538710 7.095825       4.310029 
1 1 1 9  3  29 o 101.3917 1.958400 103.0797       4.016213      109.9517       6.687785      96.20776       4.449785      104.7493 3.192282 98.03419 2.269507 6.715103       3.916800 
1 1 1 9  3  30 o 216.3697 2.142347 469.3493       9.330310      487.5565       15.32381      451.1421       10.64095      220.4947 3.474871 212.2447 2.506764 8.250046       4.284693 
1 1 1 9  3  31 o 92.35968 2.124027 85.51013       3.902861      82.32210       6.159280      88.76900       4.795510      90.58662 3.399663 94.13274 2.547206 -3.546127      4.248055 
1 1 1 9  3  32 o 121.9786 2.244146 149.2708       5.434533      144.0283       8.990252      154.5133       6.113231      119.7643 3.753311 124.1930 2.461182 -4.428688      4.488291 
1 1 1 9  3  33 o 266.8564 2.860605 716.2448       15.25297      714.8279       25.11462      717.6617       17.32873      266.3170 4.715173 267.3958 3.240278 -1.078735      5.721211 
1 1 1 9  3  34 o 202.0889 2.190685 409.9102       8.855647      410.3353       13.62353      409.5560       11.31397      202.1150 3.370242 202.0627 2.799619 0.5226135E-01  4.381370 
1 1 1 9  3  35 o 125.4318 2.197122 158.2681       5.550720      170.7369       8.749379      145.7994       6.836560      130.3350 3.356497 120.5286 2.836074 9.806404       4.394244 
1 1 1 9  3  36 o 61.03662 3.320173 37.71089       4.053052      38.49727       5.779550      36.92451       5.683908      61.67463 4.685516 60.39861 4.705331 1.276020       6.640347 
1 1 1 9  3  37 o 112.6275 2.180371 127.5922       4.910988      127.6630       7.516674      127.5213       6.322932      112.6025 3.337703 112.6525 2.806388 -0.5001068E-01 4.360743 
1 1 1 9  3  38 o 52.54914 3.245201 28.08303       3.428198      30.06669       5.316222      26.09937       4.330766      54.35262 4.890493 50.74566 4.267130 3.606968       6.490402 
1 1 1 9  3  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  3  40 o 44.06557 3.588904 20.01376       3.178115      21.15437       4.963413      18.87316       3.970164      45.21453 5.488737 42.91661 4.625441 2.297920       7.177808 
1 1 1 9  3  41 o 154.3856 2.618854 243.4949       8.090520      246.0453       14.05568      240.8736       7.998421      154.3776 4.552371 154.3935 2.590272 -0.1585388E-01 5.237708 
1 1 1 9  3  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  3  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  3  44 o 47.86964 2.707378 23.98818       2.616313      25.41216       4.536217      22.56419       2.607811      48.79747 4.648003 46.94180 2.777707 1.855679       5.414757 
1 1 1 9  3  45 o 60.53412 3.829669 41.00519       4.642484      42.39376       7.008713      39.60954       6.090560      61.18233 5.727727 59.88591 5.085136 1.296421       7.659338 
1 1 1 9  4  0  o 134.5371 2.594266 181.2220       6.974707      181.2220       6.974707      181.2220       6.974707      134.5371 2.594266 134.5371 2.594266 0.000000       0.000000 
1 1 1 9  4  1  f 428.1793 3.245734 1834.890       27.79256      1822.138       39.06403      1846.934       39.55286      426.7332 4.577103 429.6253 4.603181 -2.892151      6.491467 
1 1 1 9  4  2  o 314.2518 2.579077 987.5818       16.20229      991.8326       19.91458      984.0396       25.56094      314.8869 3.162180 313.6166 4.075189 1.270294       5.158153 
1 1 1 9  4  3  o 352.4695 2.837098 1243.333       20.02793      1231.289       24.22905      1254.668       31.88741      350.8343 3.453062 354.1048 4.502539 -3.270508      5.674196 
1 1 1 9  4  4  o 406.2873 3.200588 1652.110       25.98601      1663.445       32.07161      1640.066       40.89184      407.7564 3.932693 404.8182 5.050642 2.938171       6.401176 
1 1 1 9  4  5  o 291.6383 2.432488 850.8506       14.19029      848.7253       17.34998      852.9760       22.46501      291.2878 2.978151 291.9888 3.846895 -0.7010193     4.864975 
1 1 1 9  4  6  o 427.7061 3.249019 1830.639       27.79256      1814.345       38.98610      1846.934       39.62371      425.8036 4.577944 429.6085 4.611607 -3.804871      6.498037 
1 1 1 9  4  7  o 162.3230 1.933076 263.7566       6.282550      250.5085       8.565183      276.9338       9.188620      158.2546 2.706140 166.3914 2.761147 -8.136765      3.866151 
1 1 1 9  4  8  o 439.1603 3.325109 1930.531       29.20947      1948.951       41.66405      1911.403       40.94143      441.2948 4.720660 437.0259 4.684096 4.268890       6.650217 
1 1 1 9  4  9  o 364.2502 3.047552 1327.639       22.20996      1321.263       28.97568      1334.015       33.66563      363.3923 3.986831 365.1081 4.610364 -1.715759      6.095103 
1 1 1 9  4  10 o 104.4643 1.746291 109.3141       3.666946      100.8127       4.669405      117.8155       5.656280      100.3971 2.325468 108.5315 2.605825 -8.134331      3.492581 
1 1 1 9  4  11 o 463.8625 3.770305 2153.693       34.96918      2163.612       46.09896      2143.067       52.58838      464.9930 4.956952 462.7320 5.682379 2.260925       7.540611 
1 1 1 9  4  12 o 859.9929 7.241990 7417.490       124.6167      7382.067       175.4127      7445.828       176.9004      858.1482 10.22042 861.8376 10.26298 -3.689392      14.48398 
1 1 1 9  4  13 f 285.7428 4.605362 0.000000       0.000000      ?              ?             816.8449       26.31898      ?        ?        285.7428 4.605362 ?              ?        
1 1 1 9  4  14 o 490.1139 4.245474 2403.777       41.62154      2366.229       58.05762      2442.033       59.65164      486.2524 5.969906 493.9754 6.037916 -7.723022      8.490949 
1 1 1 9  4  15 o 181.1794 3.661923 328.3674       13.26930      328.3674       13.26930      ?              ?             181.1794 3.661923 ?        ?        ?              ?        
1 1 1 9  4  16 o 728.4476 6.557792 5315.514       95.57014      5338.184       156.5679      5293.552       109.7392      729.7572 10.72739 727.1381 7.545965 2.619080       13.11558 
1 1 1 9  4  17 o 199.8371 2.374984 400.0627       9.450747      369.1034       13.68729      431.0221       13.04260      192.0896 3.562736 207.5846 3.141513 -15.49504      4.749967 
1 1 1 9  4  18 o 42.20157 4.531603 18.12220       3.695993      19.41866       4.749461      16.81865       5.664781      44.04871 5.391146 40.35442 7.285414 3.694294       9.063207 
1 1 1 9  4  19 o 661.4420 5.288374 4381.066       70.01629      4412.946       106.4095      4349.894       90.96520      663.7509 8.015767 659.1331 6.900368 4.617859       10.57675 
1 1 1 9  4  20 o 387.3950 3.958094 1501.918       30.63345      1488.457       47.42376      1516.087       38.80191      385.5739 6.149763 389.2161 4.984622 -3.642212      7.916189 
1 1 1 9  4  21 o 158.5694 1.981184 251.5712       6.321515      260.9228       10.39299      242.2905       7.197870      161.4982 3.217679 155.6405 2.312338 5.857697       3.962368 
1 1 1 9  4  22 o 108.2577 2.031638 117.3905       4.345644      109.0307       6.981792      125.7502       5.175949      104.3907 3.344067 112.1246 2.308124 -7.733818      4.063277 
1 1 1 9  4  23 o 409.6689 3.281385 1680.448       26.87866      1678.322       42.65588      1681.865       32.72338      409.3956 5.209617 409.9421 3.991220 -0.5465698     6.562770 
1 1 1 9  4  24 o 218.9904 2.405125 481.3221       10.59135      531.4097       16.28731      431.1638       13.54560      230.4173 3.534307 207.5635 3.263002 22.85381       4.810250 
1 1 1 9  4  25 o 70.22638 2.335351 49.37200       3.291467      50.37092       5.430283      48.38017       3.720789      70.92137 3.828383 69.53139 2.675618 1.389984       4.670701 
1 1 1 9  4  26 o 217.8536 2.137046 475.0877       9.301972      473.6708       14.99793      476.5047       11.02351      217.4953 3.447874 218.2120 2.525872 -0.7167511     4.274092 
1 1 1 9  4  27 o 194.2303 2.362725 377.8173       9.153197      372.8582       14.89166      382.7765       10.66220      192.9085 3.859773 195.5522 2.726177 -2.643768      4.725451 
1 1 1 9  4  28 o 385.9333 3.589243 1495.542       27.74297      1507.585       47.21832      1483.498       29.13862      387.1403 6.098347 384.7263 3.786929 2.413940       7.178486 
1 1 1 9  4  29 o 190.2269 2.264056 362.6565       8.586436      358.1224       14.55160      367.1906       9.124859      188.9462 3.850726 191.5077 2.382375 -2.561462      4.528112 
1 1 1 9  4  30 o 179.7504 2.239103 323.9041       8.104689      333.4682       13.96358      314.4109       8.225125      182.2967 3.829906 177.2041 2.320806 5.092636       4.478205 
1 1 1 9  4  31 o 63.24840 2.662036 40.26840       3.438116      44.25698       5.933992      36.27982       3.474956      66.33596 4.472681 60.16084 2.888055 6.175125       5.324071 
1 1 1 9  4  32 o 119.2636 2.151140 142.8947       5.029299      130.3551       8.395153      155.4343       5.537259      113.9448 3.683867 124.5824 2.222328 -10.63756      4.302281 
1 1 1 9  4  33 o 38.24389 4.481348 15.30256       3.137024      11.47692       5.276549      19.12820       3.393484      32.86565 8.074692 43.62212 3.889637 -10.75647      8.962696 
1 1 1 9  4  34 o 157.0537 2.092790 247.5331       6.592852      251.7838       10.97392      243.2823       7.311223      158.3016 3.466142 155.8057 2.346262 2.495911       4.185581 
1 1 1 9  4  35 o 128.0911 2.411583 164.9984       6.163530      162.8022       9.889987      167.1946       7.360813      127.1312 3.889678 129.0510 2.851901 -1.919815      4.823166 
1 1 1 9  4  36 o 60.11229 3.573236 37.11579       4.181991      28.57186       6.057263      45.66680       5.768215      52.98335 5.716195 67.24123 4.289195 -14.25788      7.146472 
1 1 1 9  4  37 o 120.7440 2.230736 146.8620       5.333934      137.0854       8.402238      156.6387       6.572307      116.6058 3.602840 124.8822 2.631403 -8.276443      4.461473 
1 1 1 9  4  38 f 36.52577 4.634977 14.47367       3.353102      19.74455       5.374315      9.202788       4.010545      43.81205 6.133376 29.23948 6.950809 14.57257       9.269954 
1 1 1 9  4  39 o 52.10712 3.222863 27.72880       3.342475      26.71572       5.190826      28.73480       4.211746      51.02728 5.086325 53.18695 3.959379 -2.159676      6.445726 
1 1 1 9  4  40 o 107.6254 2.127523 117.0362       4.566680      113.3523       6.918740      120.7910       5.960914      105.8146 3.269275 109.4363 2.723463 -3.621666      4.255045 
1 1 1 9  4  41 o 64.47977 2.601186 42.45752       3.336808      41.57195       5.487668      43.33599       3.797301      63.55831 4.317034 65.40123 2.903081 -1.842922      5.202371 
1 1 1 9  4  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  4  43 o 59.20187 4.422545 38.76648       5.194368      37.03786       7.991336      40.48802       6.639610      57.17653 6.988302 61.22720 5.422108 -4.050678      8.845090 
1 1 1 9  4  44 o 32.40560 5.225264 12.66003       3.369397      13.09927       5.545760      12.22079       3.827057      32.08336 8.503825 32.72784 6.074412 -0.6444778     10.45053 
1 1 1 9  4  45 o 20.33495 4.866467 2.670863       3.200077      -2.803344      5.345977      8.147196       3.519589      14.93508 7.008830 25.73482 6.753244 -10.79974      9.732934 
1 1 1 9  5  0  o 31.74045 4.954144 10.61261       2.968413      10.61261       2.968413      10.61261       2.968413      31.74045 4.954144 31.74045 4.954144 0.000000       0.000000 
1 1 1 9  5  1  o 361.7410 2.815690 1309.219       20.37507      1319.846       29.01818      1298.592       28.60020      363.2086 3.994700 360.2735 3.969235 2.935150       5.631381 
1 1 1 9  5  2  o 235.3295 2.111613 554.0801       9.975000      568.3909       16.03935      539.6986       11.85948      238.3680 3.364408 232.2909 2.552722 6.077148       4.223226 
1 1 1 9  5  3  o 163.1725 1.760487 266.4487       5.711539      252.6339       8.806056      280.3344       7.275800      158.9256 2.770497 167.4195 2.172925 -8.493973      3.520974 
1 1 1 9  5  4  o 350.0336 2.824646 1226.330       19.73038      1202.243       30.80348      1249.709       24.66121      346.6240 4.443357 353.4433 3.488708 -6.819244      5.649292 
1 1 1 9  5  5  f 112.7395 2.143018 127.5922       4.783466      142.7530       6.486584      112.4313       7.032093      119.4647 2.714854 106.0143 3.316577 13.45041       4.286037 
1 1 1 9  5  6  o 491.2776 3.978410 2416.529       39.09945      2406.611       51.00853      2425.739       59.27616      490.3441 5.201299 492.2111 6.021417 -1.867004      7.956819 
1 1 1 9  5  7  o 284.8500 2.506409 811.8857       14.26113      832.4308       19.17779      791.3406       21.10478      288.4624 3.324141 281.2377 3.752124 7.224640       5.012818 
1 1 1 9  5  8  o 234.3782 2.347251 549.6169       11.00934      536.9356       15.30256      562.2982       15.81973      231.6744 3.302600 237.0820 3.336341 -5.407578      4.694501 
1 1 1 9  5  9  o 259.1832 2.510613 672.3916       13.02843      639.9445       17.71838      704.9095       19.09986      252.9208 3.502752 265.4455 3.597699 -12.52467      5.021226 
1 1 1 9  5  10 o 695.8768 5.903016 4852.187       82.18040      4816.056       115.4068      4888.317       116.9654      693.2900 8.323125 698.4635 8.373050 -5.173462      11.80603 
1 1 1 9  5  11 o 678.8392 5.765012 4616.272       78.28393      4531.258       108.7474      4701.286       112.6438      672.5973 8.084135 685.0811 8.221205 -12.48376      11.53002 
1 1 1 9  5  12 o 321.7103 2.957373 1035.048       19.02901      1047.092       27.25414      1023.713       26.56694      323.5255 4.212055 319.8951 4.152446 3.630402       5.914745 
1 1 1 9  5  13 o 212.1207 2.094891 450.0794       8.883986      445.3328       13.31181      454.7552       11.76030      211.0078 3.154340 213.2335 2.757611 -2.225632      4.189783 
1 1 1 9  5  14 f 166.0919 2.069247 276.0128       6.840102      265.8820       10.76847      286.1437       8.437660      163.0382 3.302437 169.1456 2.494201 -6.107376      4.138493 
1 1 1 9  5  15 f 442.6848 3.643223 1960.995       32.29123      1988.624       49.36492      1933.365       41.64280      445.7826 5.536883 439.5869 4.736583 6.195709       7.286446 
1 1 1 9  5  16 o 379.4727 2.963908 1440.991       22.50043      1465.078       32.29123      1416.195       31.33482      382.6910 4.218969 376.2544 4.164048 6.436676       5.927815 
1 1 1 9  5  17 o 458.7406 3.775092 2106.227       34.60078      2071.513       51.68864      2140.941       46.00686      454.9361 5.680868 462.5451 4.973229 -7.609039      7.550183 
1 1 1 9  5  18 o 514.3776 4.486609 2648.901       46.16272      2692.117       66.19065      2605.686       64.36285      518.5705 6.382030 510.1847 6.307798 8.385834       8.973217 
1 1 1 9  5  19 o 418.1137 3.253199 1749.168       27.20455      1751.293       38.51852      1747.042       38.42642      418.3676 4.603431 417.8598 4.598004 0.5077515      6.506398 
1 1 1 9  5  20 o 676.7651 5.408236 4589.351       73.18307      4617.689       96.49113      4561.013       110.0226      678.9473 7.105937 674.5828 8.154860 4.364502       10.81647 
1 1 1 9  5  21 o 447.7258 3.724302 2007.044       33.39642      2043.175       51.05812      1970.913       43.05970      451.7174 5.651555 443.7342 4.851970 7.983215       7.448603 
1 1 1 9  5  22 o 174.9822 2.504002 306.4054       8.721042      299.5334       14.67204      313.2774       9.429493      172.9974 4.240538 176.9670 2.664196 -3.969589      5.008004 
1 1 1 9  5  23 o 45.50282 3.641263 20.78598       3.234083      18.76689       5.473498      22.79798       3.447326      43.27491 6.324101 47.73073 3.611223 -4.455818      7.282526 
1 1 1 9  5  24 o 221.0994 2.563379 0.000000       0.000000      ?              ?             489.1151       11.33523      ?        ?        221.0994 2.563379 ?              ?        
1 1 1 9  5  25 o 94.03615 2.285772 88.48563       4.297468      88.34394       7.169532      88.69817       4.738125      93.92259 3.816724 94.14970 2.516272 -0.2271042     4.571543 
1 1 1 9  5  26 f 190.9121 2.367542 0.000000       0.000000      ?              ?             364.7110       9.039845      ?        ?        190.9121 2.367542 ?              ?        
1 1 1 9  5  27 o 211.0210 2.368017 445.9704       9.982086      443.3491       16.93908      448.5917       10.55593      210.3302 4.026783 211.7117 2.492997 -1.381470      4.736034 
1 1 1 9  5  28 o 163.2395 2.164260 267.0155       7.148279      279.9093       12.40499      254.1925       7.098687      167.1114 3.711594 159.3677 2.227141 7.743683       4.328520 
1 1 1 9  5  29 o 123.7086 2.007458 153.3090       4.969789      153.8049       8.104689      152.8130       5.751212      123.8729 3.271372 123.5443 2.327592 0.3286896      4.014916 
1 1 1 9  5  30 o 263.7697 2.508618 697.8250       13.23388      699.0294       20.66554      696.6207       16.54235      263.9117 3.915238 263.6277 3.137445 0.2839050      5.017235 
1 1 1 9  5  31 o 177.5250 2.096180 315.9695       7.438744      314.6234       11.84531      317.3156       8.997337      177.0842 3.344543 177.9658 2.527828 -0.8816071     4.192360 
1 1 1 9  5  32 o 135.5598 2.032939 184.1975       5.516714      185.4018       8.983169      183.0639       6.405821      135.9349 3.304218 135.1848 2.369284 0.7501221      4.065877 
1 1 1 9  5  33 o 178.8568 2.169122 320.9286       7.729208      312.6398       12.26330      329.2884       9.415324      176.4569 3.474872 181.2568 2.597234 -4.799866      4.338243 
1 1 1 9  5  34 o 29.79969 5.188035 9.727042       3.195826      13.68729       5.247502      5.761130       3.649235      35.94657 7.540082 23.65282 7.128113 12.29375       10.37607 
1 1 1 9  5  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  5  36 o 217.0297 2.426879 474.2376       10.47800      455.5345       16.37940      492.8699       13.07802      212.5768 3.852586 221.4827 2.952380 -8.905899      4.853758 
1 1 1 9  5  37 o 93.03925 2.274868 87.35210       4.312346      95.57014       7.389152      79.13406       4.450494      97.30308 3.796978 88.77542 2.506603 8.527657       4.549736 
1 1 1 9  5  38 o 56.30477 3.000932 32.28415       3.266671      27.94842       5.435950      36.61987       3.623022      52.31021 5.195879 60.29932 3.004198 -7.989113      6.001863 
1 1 1 9  5  39 f 117.1112 3.374610 140.4151       7.552096      125.7502       13.87857      155.0801       5.972957      110.0387 6.306225 124.1837 2.404887 -14.14509      6.749219 
1 1 1 9  5  40 o 84.95183 4.073837 75.02505       6.534760      66.70782       12.23496      83.31393       4.588642      78.96342 7.747234 90.94024 2.522889 -11.97681      8.147675 
1 1 1 9  5  41 o 29.79213 6.349298 5.987126       5.982875      -2.324430      10.97392      14.29656       4.765755      23.52138 10.68939 36.06289 6.855020 -12.54151      12.69860 
1 1 1 9  5  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  5  43 o 17.85069 7.137213 0.000000       0.000000      ?              ?             2.497293       3.848310      ?        ?        17.85069 7.137213 ?              ?        
1 1 1 9  5  44 o 68.76073 3.464681 51.61780       4.984667      61.72031       9.068183      41.51527       4.135233      74.17878 6.112383 63.34269 3.264175 10.83609       6.929363 
1 1 1 9  5  45 o 56.66321 4.063007 36.60571       4.571640      39.02153       8.395153      34.18988       3.619480      56.07195 7.486054 57.25447 3.160872 -1.182518      8.126015 
1 1 1 9  6  0  o 151.6515 2.402540 230.1760       7.282885      230.1760       7.282885      230.1760       7.282885      151.6515 2.402540 151.6515 2.402540 0.000000       0.000000 
1 1 1 9  6  1  o 450.1584 3.414999 2027.589       30.74681      2036.090       43.66188      2019.796       43.30058      451.0620 4.839899 449.2549 4.819154 1.807068       6.829998 
1 1 1 9  6  2  o 393.5848 3.136422 1550.093       24.71080      1560.719       39.27657      1539.466       29.99585      394.9018 4.972953 392.2678 3.823390 2.634064       6.272844 
1 1 1 9  6  3  o 177.7220 2.199646 316.1112       7.885069      330.2802       13.22680      301.9422       8.586436      181.6966 3.639803 173.7474 2.470954 7.949188       4.399293 
1 1 1 9  6  4  o 513.4904 4.710626 2640.400       48.27390      2609.228       78.35477      2672.280       56.42818      510.2994 7.677333 516.6814 5.460637 -6.382019      9.421252 
1 1 1 9  6  5  o 671.4995 6.068988 4520.631       81.47195      4519.922       133.1889      4521.339       93.94070      671.1591 9.922308 671.8400 6.991301 -0.6809082     12.13798 
1 1 1 9  6  6  o 275.7458 2.813175 760.8772       15.45842      743.8744       25.06503      777.8801       18.09386      272.6386 4.596749 278.8530 3.244336 -6.214417      5.626350 
1 1 1 9  6  7  o 259.6708 2.695397 674.6586       14.02734      682.7350       23.14512      666.5823       15.85515      261.2018 4.430506 258.1397 3.071040 3.062073       5.390795 
1 1 1 9  6  8  o 300.7429 3.004716 904.6929       18.11511      917.4451       29.93209      892.6493       20.41758      302.7711 4.943023 298.7146 3.417573 4.056488       6.009432 
1 1 1 9  6  9  o 298.0424 2.885404 888.3986       17.16579      879.8971       28.90483      897.6085       18.51184      296.5260 4.873912 299.5587 3.089853 -3.032684      5.770807 
1 1 1 9  6  10 o 209.2198 2.412250 437.9649       10.15920      453.4800       16.95325      422.5206       11.20062      212.9066 3.981383 205.5331 2.724773 7.373444       4.824500 
1 1 1 9  6  11 o 407.7772 3.746418 1664.153       30.72555      1705.244       52.68048      1623.063       31.63237      412.7530 6.381598 402.8013 3.926548 9.951721       7.492835 
1 1 1 9  6  12 f 304.7177 2.567684 928.7803       15.64970      930.1973       24.83832      927.3634       19.05027      304.9395 4.072664 304.4958 3.128165 0.4436035      5.135368 
1 1 1 9  6  13 o 374.0900 2.767556 1399.901       20.71513      1407.694       31.03019      1392.108       27.44542      375.1242 4.135989 373.0559 3.678460 2.068268       5.535112 
1 1 1 9  6  14 o 167.5954 1.978066 280.9012       6.629692      280.3344       10.06001      281.5387       8.636027      167.4133 3.004544 167.7775 2.573655 -0.3641663     3.956133 
1 1 1 9  6  15 o 868.5376 6.846914 7559.180       118.8074      7417.490       176.8296      7700.871       158.6932      860.2881 10.27735 876.7870 9.049700 -16.49890      13.69383 
1 1 1 9  6  16 o 541.8956 4.390686 2940.075       47.70714      3018.713       73.60814      2860.728       60.67181      549.1368 6.702168 534.6545 5.673927 14.48236       8.781372 
1 1 1 9  6  17 o 543.9113 4.421740 2962.037       48.09679      2966.288       72.97054      2957.078       62.70506      544.2892 6.703288 543.5334 5.768281 0.7557373      8.843479 
1 1 1 9  6  18 o 247.1122 2.393113 610.8271       11.83114      611.8190       17.80339      609.8353       15.57885      247.3080 3.599437 246.9164 3.154682 0.3915863      4.786227 
1 1 1 9  6  19 o 359.2745 3.299067 1291.508       23.71188      1329.764       34.30323      1253.960       32.75172      364.5442 4.704949 354.0049 4.625886 10.53931       6.598133 
1 1 1 9  6  20 o 303.4350 2.703743 920.9873       16.38649      900.4422       24.15821      942.2409       22.15329      299.9841 4.026581 306.8858 3.609370 -6.901672      5.407486 
1 1 1 9  6  21 o 369.8875 4.056245 1370.146       30.01002      1365.895       42.16705      1374.396       42.70547      369.3163 5.708799 370.4587 5.763864 -1.142426      8.112491 
1 1 1 9  6  22 o 260.6865 2.696786 680.6096       14.20446      723.3293       23.54894      638.1025       15.89766      268.8254 4.379968 252.5475 3.147459 16.27792       5.393572 
1 1 1 9  6  23 o 387.0244 3.726262 1500.501       28.94734      1532.381       47.84883      1468.620       32.59587      391.0266 6.118361 383.0222 4.255089 8.004395       7.452524 
1 1 1 9  6  24 o 104.9319 2.218345 110.2351       4.624773      106.6220       7.637110      113.8482       5.221998      103.1934 3.700387 106.6705 2.447724 -3.477089      4.436690 
1 1 1 9  6  25 o 77.70438 2.537190 60.48053       3.926948      58.07888       6.015463      62.88926       5.049844      76.14778 3.949862 79.26096 3.185581 -3.113182      5.074380 
1 1 1 9  6  26 o 231.5811 2.934061 537.4315       13.61644      543.1700       22.38708      531.6931       15.49384      232.7348 4.809567 230.4273 3.361981 2.307541       5.868122 
1 1 1 9  6  27 o 467.9926 3.880193 2199.034       36.29399      2184.157       55.12463      2214.620       47.23248      466.2148 5.911935 469.7704 5.027188 -3.555573      7.760387 
1 1 1 9  6  28 o 75.20846 2.380049 56.68323       3.579099      56.60530       5.757588      56.75408       4.252836      75.13623 3.831432 75.28069 2.824653 -0.1444550     4.760098 
1 1 1 9  6  29 o 155.0662 2.017725 240.9445       6.245711      237.8981       10.00334      243.9199       7.481250      154.0549 3.246680 156.0775 2.396647 -2.022537      4.035449 
1 1 1 9  6  30 o 129.2872 1.929327 167.4780       5.010880      171.0911       8.494337      163.8649       5.317639      130.6325 3.251234 127.9420 2.078145 2.690552       3.858654 
1 1 1 9  6  31 o 142.0605 2.686937 202.6881       7.545012      196.3120       13.78647      209.1350       6.129525      139.6032 4.937735 144.5178 2.120682 -4.914627      5.373874 
1 1 1 9  6  32 o 55.99768 4.244723 32.10704       5.119981      38.74523       9.776634      25.46884       3.041383      61.60485 7.934955 50.39051 3.017813 11.21434       8.489447 
1 1 1 9  6  33 o 37.99080 6.109578 15.01918       5.052678      16.54235       9.670367      13.48892       2.935824      39.35616 11.54316 36.62545 4.007902 2.730713       12.21916 
1 1 1 9  6  34 o 199.6646 2.804553 401.1254       11.20771      403.6758       20.50259      398.5750       9.061099      199.8876 5.128531 199.4415 2.271618 0.4460602      5.609107 
1 1 1 9  6  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  6  36 o 188.7116 2.939631 359.5393       10.95975      349.5501       20.12003      369.5284       8.706873      185.4641 5.424240 191.9592 2.267897 -6.495148      5.879263 
1 1 1 9  6  37 o 59.46478 5.119615 36.88908       6.409364      42.53544       12.37665      31.24272       3.338933      63.20318 9.791162 55.72638 2.995828 7.476799       10.23923 
1 1 1 9  6  38 o 20.83197 6.302074 -0.5213496     5.805762      -3.773923      11.25730      2.731082       2.837349      24.09991 10.90683 17.56403 6.317096 6.535879       12.60415 
1 1 1 9  6  39 o 100.6141 3.834999 104.2133       7.389152      93.79901       13.46058      114.6275       6.105437      94.58189 7.115836 106.6463 2.862471 -12.06438      7.669997 
1 1 1 9  6  40 o 88.75801 4.097264 81.96787       7.091603      78.63815       13.07094      85.22675       5.506795      85.69852 7.626116 91.81750 2.998773 -6.118980      8.194528 
1 1 1 9  6  41 o 31.65319 6.981909 10.44966       6.052303      9.294888       11.35648      11.59735       4.178449      30.78242 12.27688 32.52395 6.653293 -1.741529      13.96382 
1 1 1 9  6  42 o 21.94140 6.505134 -8.331393      7.970083      -25.63179      14.69329      8.976085       6.184784      18.03282 9.073916 25.84999 9.323687 -7.817173      13.01027 
1 1 1 9  6  43 o 21.98968 5.698909 3.157570       4.300302      0.3860354E-01  7.955913      6.276175       3.262421      20.59505 9.252704 23.38431 6.655654 -2.789251      11.39782 
1 1 1 9  6  44 o 28.14035 5.761936 10.09544       3.997793      11.59735       7.488335      8.593520       2.796259      28.58381 10.26429 27.69688 5.238693 0.8869247      11.52387 
1 1 1 9  6  45 o 48.40503 6.583231 33.37516       6.255630      24.17946       8.175533      42.57795       9.472000      39.93037 10.19940 56.87969 8.326347 -16.94932      13.16646 
1 1 1 9  7  0  o 168.5222 3.581125 284.4434       12.05785      284.4434       12.05785      284.4434       12.05785      168.5222 3.581125 168.5222 3.581125 0.000000       0.000000 
1 1 1 9  7  1  o 204.4193 2.499622 418.1991       10.18754      434.0684       13.36140      402.3297       15.38049      208.3068 3.207144 200.5317 3.834928 7.775131       4.999245 
1 1 1 9  7  2  o 128.9518 2.200732 166.3445       5.678949      164.7859       7.204955      167.9031       8.784801      128.3517 2.806724 129.5520 3.390455 -1.200302      4.401464 
1 1 1 9  7  3  f 84.35181 2.132644 71.27025       3.593976      66.75741       5.044885      75.73349       5.120689      81.69170 3.087759 87.01192 2.942522 -5.320229      4.265289 
1 1 1 9  7  4  o 284.2933 2.725955 808.3435       15.50093      796.2998       21.74947      821.0956       22.08953      282.1140 3.854731 286.4726 3.855434 -4.358643      5.451910 
1 1 1 9  7  5  o 658.8854 5.994432 4353.437       79.34660      4460.413       131.7012      4245.751       88.48563      666.7099 9.876949 651.0610 6.795495 15.64893       11.98886 
1 1 1 9  7  6  o 182.0260 2.208681 331.4846       8.048012      332.9724       13.74396      329.9260       8.380984      182.4302 3.766911 181.6218 2.307263 0.8083801      4.417361 
1 1 1 9  7  7  o 336.2057 2.769888 1131.397       18.57561      1106.602       29.02527      1155.485       23.19471      332.5522 4.364017 339.8592 3.412400 -7.307007      5.539776 
1 1 1 9  7  8  o 382.1901 3.081558 1461.536       23.57727      1470.746       37.49835      1452.326       28.57895      383.3662 4.890670 381.0140 3.750380 2.352234       6.163116 
1 1 1 9  7  9  o 354.9813 2.897931 1261.044       20.58761      1267.420       32.74464      1253.960       24.96584      355.9082 4.600152 354.0544 3.525707 1.853821       5.795862 
1 1 1 9  7  10 o 897.1082 6.777929 8069.266       121.7829      8147.196       194.0449      7984.251       147.1454      901.3857 10.76370 892.8307 8.240388 8.554932       13.55586 
1 1 1 9  7  11 o 277.0807 2.413357 767.9618       13.35432      757.3350       21.04810      778.5886       16.42900      275.1549 3.824773 279.0066 2.944195 -3.851685      4.826715 
1 1 1 9  7  12 o 267.4838 2.356145 715.5363       12.56793      701.0131       19.71621      730.4138       15.60719      264.7290 3.723849 270.2386 2.887669 -5.509644      4.712290 
1 1 1 9  7  13 o 721.0768 5.477662 5207.121       78.85069      5139.818       123.6248      5274.424       97.97889      716.2932 8.629486 725.8604 6.749155 -9.567261      10.95532 
1 1 1 9  7  14 o 344.7965 3.401680 1189.491       23.32223      1147.692       37.51960      1231.998       27.72172      338.6573 5.539465 350.9357 3.949687 -12.27841      6.803360 
1 1 1 9  7  15 o 950.8630 7.157163 9061.099       135.9519      8997.338       213.9524      9124.859       167.9031      947.2657 11.29316 954.4604 8.795707 -7.194641      14.31433 
1 1 1 9  7  16 o 234.7594 2.493864 551.3172       11.68946      546.2872       19.63828      556.3472       12.67420      233.6718 4.202108 235.8470 2.686955 -2.175156      4.987729 
1 1 1 9  7  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  7  18 o 152.3529 2.755167 0.000000       0.000000      ?              ?             232.1597       8.395153      ?        ?        152.3529 2.755167 ?              ?        
1 1 1 9  7  19 o 270.1996 3.769063 0.000000       0.000000      ?              ?             730.4138       20.36799      ?        ?        270.1996 3.769063 ?              ?        
1 1 1 9  7  20 o 226.8174 3.363951 0.000000       0.000000      ?              ?             514.6902       15.26005      ?        ?        226.8174 3.363951 ?              ?        
1 1 1 9  7  21 o 400.4044 3.396706 1605.352       27.22580      1623.063       41.81283      1586.932       34.88417      402.6220 5.192566 398.1868 4.380377 4.435181       6.793412 
1 1 1 9  7  22 f 277.0388 2.899977 769.3787       15.87640      708.3809       25.00835      830.3055       19.57452      266.0094 4.700652 288.0682 3.397550 -22.05884      5.799954 
1 1 1 9  7  23 o 319.8261 2.847766 1023.713       18.23555      1035.048       28.17513      1013.086       23.15220      321.5079 4.381716 318.1443 3.638632 3.363617       5.695531 
1 1 1 9  7  24 o 349.0769 3.048160 1220.662       21.23230      1183.823       31.78823      1258.210       28.16096      343.7118 4.624257 354.4420 3.972576 -10.73026      6.096320 
1 1 1 9  7  25 o 162.8515 2.611378 265.5986       8.558097      271.5496       15.07585      259.7184       8.090520      164.6003 4.579535 161.1027 2.510983 3.497574       5.222756 
1 1 1 9  7  26 o 213.9578 2.603565 458.5808       11.20771      468.0033       20.22630      449.2293       9.663282      216.0349 4.681256 211.8807 2.280360 4.154236       5.207129 
1 1 1 9  7  27 o 83.00827 3.290515 69.25117       5.264505      62.99553       9.854564      75.52096       3.705911      79.14299 6.225797 86.87355 2.132934 -7.730560      6.581030 
1 1 1 9  7  28 o 246.8974 2.804605 611.4647       13.88566      618.1951       24.97293      604.8053       12.15703      248.0153 5.034554 245.7795 2.473159 2.235840       5.609210 
1 1 1 9  7  29 o 49.54665 4.379285 25.02252       4.650278      29.88958       8.855647      20.15545       2.850101      54.25129 8.161695 44.84201 3.177937 9.409275       8.758570 
1 1 1 9  7  30 o 84.24385 3.425919 71.69532       5.474207      62.64840       10.22296      80.69266       3.925531      78.71507 6.493648 89.77263 2.186374 -11.05756      6.851839 
1 1 1 9  7  31 o 218.2281 2.729805 478.7009       12.10744      503.8510       22.18871      453.5508       9.705790      223.6526 4.960530 212.8035 2.280458 10.84914       5.459610 
1 1 1 9  7  32 o 97.56413 3.166560 95.92437       6.080641      92.52380       11.45567      99.25409       4.077140      95.57663 5.992922 99.55164 2.047751 -3.975006      6.333119 
1 1 1 9  7  33 o 127.6077 2.940675 163.9357       7.346645      155.7885       13.71563      172.1538       5.281508      124.1077 5.525697 131.1078 2.014185 -7.000153      5.881349 
1 1 1 9  7  34 o 157.6444 2.970313 250.3669       9.216957      241.0153       17.11619      259.7184       6.846478      154.2797 5.547132 161.0092 2.126114 -6.729462      5.940626 
1 1 1 9  7  35 o 163.6121 3.391647 271.4079       11.25021      283.6641       21.26064      259.1516       7.360813      166.4843 6.385179 160.7399 2.289666 5.744370       6.783294 
1 1 1 9  7  36 o 73.11868 4.371306 55.03962       6.762880      63.70398       13.00717      46.37525       3.700243      78.28212 8.307884 67.95525 2.722559 10.32687       8.742613 
1 1 1 9  7  37 o 83.46310 3.955424 71.55363       6.910239      81.18858       13.17012      61.96828       4.182700      88.40131 7.449052 78.52489 2.663295 9.876419       7.910848 
1 1 1 9  7  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  7  39 o 104.2415 3.744521 111.8645       7.537927      103.4340       13.81481      120.2243       6.047344      99.26512 6.958542 109.2180 2.768475 -9.952858      7.489043 
1 1 1 9  7  40 o 71.41432 4.537916 54.26032       6.760755      62.63422       12.73088      45.88642       4.557470      75.60835 8.418963 67.22029 3.389951 8.388062       9.075831 
1 1 1 9  7  41 o 108.0101 3.823181 121.9245       8.026759      114.4858       14.33198      129.3633       7.219123      103.1807 6.945087 112.8395 3.198845 -9.658852      7.646361 
1 1 1 9  7  42 o 55.84295 4.665715 34.44493       5.389193      39.81499       10.03876      29.07486       3.917030      58.55154 8.572585 53.13435 3.685967 5.417187       9.331429 
1 1 1 9  7  43 o 54.35939 4.844192 33.16262       4.839434      32.36208       9.110690      33.95610       3.272339      51.05569 9.263562 57.66310 2.837464 -6.607407      9.688384 
1 1 1 9  7  44 o 58.83297 5.682272 43.54853       5.932575      26.99201       8.515590      60.11213       8.260548      44.25883 9.873957 73.40712 5.626530 -29.14829      11.36454 
1 1 1 9  7  45 o 24.60198 6.672230 9.273635       4.626898      10.25130       7.035635      8.288886       6.010505      25.40663 9.783061 23.79732 9.075589 1.609312       13.34446 
1 1 1 9  8  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  8  1  o 131.6723 2.520204 173.5707       6.639610      182.5680       9.677451      164.5733       9.096521      135.0870 3.581932 128.2576 3.546192 6.829453       5.040408 
1 1 1 9  8  2  o 440.9511 4.781724 1947.534       42.16705      1947.534       59.74374      1947.534       59.53121      440.9498 6.774437 440.9524 6.750299 -0.2563477E-02 9.563448 
1 1 1 9  8  3  o 91.14647 2.185103 83.17223       3.984333      77.36294       5.461455      89.05238       5.802928      87.94118 3.105175 94.35177 3.075156 -6.410591      4.370206 
1 1 1 9  8  4  o 122.0560 1.927969 149.0583       4.701995      151.1128       6.204620      146.9329       7.066098      122.9142 2.523963 121.1979 2.915109 1.716377       3.855937 
1 1 1 9  8  5  o 228.8343 2.549237 524.7502       11.52651      568.3909       14.32489      481.1805       18.06552      238.3731 3.004721 219.2954 4.118992 19.07774       5.098475 
1 1 1 9  8  6  o 159.7212 1.962367 255.1843       6.283967      248.1706       7.991336      262.2688       9.698705      157.5183 2.536638 161.9241 2.994830 -4.405869      3.924734 
1 1 1 9  8  7  o 369.2271 3.143243 1363.770       23.19471      1381.481       30.69013      1346.767       34.77790      371.5907 4.129561 366.8634 4.739897 4.727295       6.286486 
1 1 1 9  8  8  o 531.3277 4.127548 2826.014       43.90276      2845.851       69.84626      2805.469       53.20473      533.1644 6.550162 529.4910 5.024139 3.673340       8.255095 
1 1 1 9  8  9  o 804.0247 6.082257 6475.958       97.69550      6424.241       153.6632      6527.675       120.7202      800.6424 9.596244 807.4070 7.475796 -6.764587      12.16451 
1 1 1 9  8  10 o 257.4976 2.323317 663.2525       11.95158      656.8765       18.89441      669.5578       14.63661      256.2591 3.686584 258.7362 2.828482 -2.477112      4.646635 
1 1 1 9  8  11 o 374.4600 3.049966 1402.734       22.85465      1406.985       36.32232      1398.484       27.73589      375.0089 4.842861 373.9110 3.708889 1.097931       6.099932 
1 1 1 9  8  12 o 36.98093 4.029611 13.74396       3.002419      15.46550       4.667280      12.01534       3.777465      39.31043 5.936440 34.65143 5.450663 4.659000       8.059221 
1 1 1 9  8  13 o 195.2308 2.710707 0.000000       0.000000      ?              ?             381.2179       10.58427      ?        ?        195.2308 2.710707 ?              ?        
1 1 1 9  8  14 o 410.2391 3.738911 1683.990       30.60512      1664.862       51.36984      1703.118       33.27598      407.8593 6.297495 412.6189 4.032290 -4.759613      7.477822 
1 1 1 9  8  15 o 51.59799 3.497038 26.90700       3.469288      21.52985       5.477040      32.29123       4.259920      46.38041 5.904476 56.81557 3.748903 -10.43516      6.994077 
1 1 1 9  8  16 o 585.3433 6.946069 3435.991       81.18858      3425.365       145.2326      3445.909       72.68716      583.9871 12.43458 586.6995 6.194581 -2.712463      13.89214 
1 1 1 9  8  17 o 330.2275 3.846126 1091.724       25.40508      1080.389       35.16755      1102.351       36.67655      328.5702 5.351604 331.8848 5.525495 -3.314575      7.692253 
1 1 1 9  8  18 o 250.5266 2.554517 627.9716       12.83715      644.1952       20.07752      611.7481       15.98976      253.7541 3.956099 247.2990 3.232879 6.455048       5.109033 
1 1 1 9  8  19 o 538.0116 4.402801 2898.276       47.38125      2903.944       71.97870      2893.317       61.63530      538.4473 6.683913 537.5759 5.732707 0.8713989      8.805602 
1 1 1 9  8  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  8  21 o 427.4451 4.153993 1830.639       35.75556      1894.400       60.23257      1766.879       38.53978      434.7558 6.927173 420.1343 4.586602 14.62146       8.307986 
1 1 1 9  8  22 o 444.7821 4.062148 1982.248       36.35066      2036.090       62.24458      1928.406       37.56211      450.6465 6.906142 438.9177 4.278947 11.72882       8.124296 
1 1 1 9  8  23 o 113.9539 2.046327 130.1426       4.610604      120.9327       7.360813      139.2816       5.553554      109.9176 3.348334 117.9901 2.353397 -8.072578      4.092655 
1 1 1 9  8  24 f 318.1563 2.752340 1013.794       17.53418      1021.588       28.21763      1006.002       20.81431      319.3092 4.418544 317.0033 3.282980 2.305878       5.504679 
1 1 1 9  8  25 o 165.4946 1.978971 274.2417       6.511380      263.1898       10.34340      285.2935       7.913406      162.1363 3.189722 168.8530 2.343283 -6.716660      3.957942 
1 1 1 9  8  26 o 90.68185 2.121030 82.95970       3.763296      68.86860       5.657696      96.98705       4.964122      82.92318 3.411408 98.44054 2.521381 -15.51736      4.242059 
1 1 1 9  8  27 o 76.41951 3.306938 59.09196       5.393443      69.56287       10.26547      48.61396       3.309178      83.14722 6.173067 69.69179 2.374152 13.45544       6.613875 
1 1 1 9  8  28 o 112.8042 2.886822 127.8755       6.310180      117.1779       11.60444      138.6440       4.952786      107.9166 5.376575 117.6917 2.104137 -9.775002      5.773643 
1 1 1 9  8  29 o 43.28477 5.261497 19.53202       4.699870      23.12387       8.954830      15.94725       2.864979      46.69608 9.890738 39.87345 3.592590 6.822632       10.52299 
1 1 1 9  8  30 f 36.06263 5.916055 12.83715       4.722539      9.698705       9.011506      15.97559       2.823180      32.22713 11.29077 39.89814 3.537985 -7.671009      11.83211 
1 1 1 9  8  31 o 90.76396 3.230751 82.95970       6.011921      88.62732       11.42024      77.36294       3.753378      93.63071 6.098556 87.89722 2.135095 5.733498       6.461503 
1 1 1 9  8  32 o 122.0961 2.935594 149.9792       7.183701      151.6087       13.51017      148.3498       4.900361      122.4795 5.515281 121.7127 2.013086 0.7667923      5.871187 
1 1 1 9  8  33 o 135.5777 2.936795 185.0476       7.863815      180.0884       14.71454      190.0776       5.565597      133.3978 5.515287 137.7576 2.020068 -4.359833      5.873590 
1 1 1 9  8  34 o 45.43729 7.254220 21.15437       7.197870      16.58486       13.91399      25.73097       3.705203      40.30194 14.03836 50.57263 3.663249 -10.27069      14.50844 
1 1 1 9  8  35 o 162.1125 3.245043 265.8820       10.58427      272.5414       19.99959      259.2934       6.952037      163.4064 6.119586 160.8185 2.161455 2.587967       6.490086 
1 1 1 9  8  36 o 119.6326 3.216177 145.3035       7.970083      159.7559       15.26005      130.9219       4.632566      124.9868 6.104667 114.2785 2.026876 10.70826       6.432355 
1 1 1 9  8  37 o 128.7157 3.297728 168.3281       8.543928      173.4290       15.65678      163.2981       6.852146      129.9795 6.022789 127.4518 2.688132 2.527710       6.595456 
1 1 1 9  8  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  8  39 o 156.6512 3.140837 250.9336       9.882903      257.5222       17.90258      244.3450       8.359732      157.6215 5.678978 155.6810 2.684891 1.940460       6.281674 
1 1 1 9  8  40 o 55.94336 5.352916 34.96209       6.498628      45.09296       12.26330      24.82415       4.303844      62.77129 9.768241 49.11543 4.381358 13.65586       10.70583 
1 1 1 9  8  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  8  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  8  43 o 79.92345 5.331774 0.000000       0.000000      ?              ?             69.18032       8.522675      ?        ?        79.92345 5.331774 ?              ?        
1 1 1 9  8  44 o 19.27772 5.974163 -0.1120771     4.889026      -5.924074      7.530843      5.699495       6.231542      16.33932 7.860048 22.21613 8.999008 -5.876804      11.94833 
1 1 1 9  9  0  o 189.8250 2.714502 360.6020       10.30089      360.6020       10.30089      360.6020       10.30089      189.8250 2.714502 189.8250 2.714502 0.000000       0.000000 
1 1 1 9  9  1  o 495.6097 3.757046 2459.036       37.24331      2444.867       52.41835      2472.497       52.91426      494.2183 5.303158 497.0012 5.323354 -2.782928      7.514092 
1 1 1 9  9  2  o 192.8049 2.094183 371.9372       8.097604      385.6103       12.49000      358.3349       10.31506      196.3361 3.180771 189.2737 2.724906 7.062469       4.188367 
1 1 1 9  9  3  o 301.1956 2.892491 907.5267       17.42792      934.4479       25.19963      881.3140       24.08736      305.6021 4.122948 296.7891 4.057993 8.813019       5.784981 
1 1 1 9  9  4  o 270.9638 2.692613 734.6645       14.59411      753.0842       20.99143      716.2448       20.28297      274.3606 3.825517 267.5670 3.790260 6.793579       5.385225 
1 1 1 9  9  5  o 393.0092 3.554552 1545.842       27.94842      1518.212       38.81607      1573.471       40.21172      389.4992 4.982818 396.5191 5.070590 -7.019867      7.109104 
1 1 1 9  9  6  o 434.4929 3.871295 1889.441       33.64437      1907.861       47.96927      1871.021       47.18289      436.6096 5.493382 432.3762 5.456232 4.233429       7.742591 
1 1 1 9  9  7  o 273.0247 2.715023 745.9998       14.83498      716.2448       20.23338      775.7547       21.70696      267.5792 3.780822 278.4703 3.897537 -10.89114      5.430047 
1 1 1 9  9  8  o 362.0920 3.117565 1311.344       22.57127      1317.012       29.61329      1306.385       34.06945      362.8370 4.080798 361.3470 4.714228 1.489960       6.235131 
1 1 1 9  9  9  o 439.3582 3.901195 1931.948       34.28198      1926.280       48.11805      1936.907       48.84066      438.7556 5.483469 439.9607 5.550571 -1.205170      7.802389 
1 1 1 9  9  10 o 318.7232 3.186941 1015.920       20.29006      1009.544       32.89342      1023.004       23.77564      317.6469 5.177670 319.7996 3.717272 -2.152710      6.373883 
1 1 1 9  9  11 o 729.8807 6.943083 5338.893       101.2378      5298.511       155.8594      5379.274       129.3633      726.9687 10.71981 732.7928 8.826731 -5.824097      13.88617 
1 1 1 9  9  12 o 53.18728 3.769169 28.79148       3.827057      21.38816       5.840477      36.19481       4.947828      46.22484 6.317465 60.14971 4.112927 -13.92487      7.538338 
1 1 1 9  9  13 o 203.5790 2.423382 414.5860       9.854564      412.0356       16.00393      417.0656       11.51234      202.9533 3.942761 204.2047 2.818824 -1.251404      4.846765 
1 1 1 9  9  14 o 673.8427 5.400772 4546.844       72.89968      4597.144       111.3686      4496.543       93.94070      677.4991 8.219097 670.1863 7.008552 7.312866       10.80154 
1 1 1 9  9  15 o 282.3885 2.631228 797.7167       14.91999      830.3055       23.40016      765.8364       18.51893      288.0832 4.061356 276.6938 3.346467 11.38937       5.262457 
1 1 1 9  9  16 o 154.3508 3.055821 238.4649       9.464915      248.3832       14.56577      228.5466       12.08619      157.5566 4.622394 151.1451 3.998206 6.411453       6.111643 
1 1 1 9  9  17 o 193.6173 2.364124 375.0544       9.181536      385.1144       14.48784      364.9944       11.28564      196.2083 3.691954 191.0264 2.953947 5.181854       4.728248 
1 1 1 9  9  18 o 85.36068 2.756847 73.39561       4.809679      85.58098       7.970083      61.23857       5.382816      92.48159 4.309011 78.23977 3.439949 14.24182       5.513694 
1 1 1 9  9  19 o 460.9093 4.486720 0.000000       0.000000      ?              ?             2126.064       41.35941      ?        ?        460.9093 4.486720 ?              ?        
1 1 1 9  9  20 o 302.2075 2.665965 913.9028       16.09602      907.5267       25.61053      920.2789       19.51076      301.1263 4.252456 303.2887 3.216533 -2.162323      5.331929 
1 1 1 9  9  21 o 194.5194 2.131481 378.6675       8.331393      390.0027       13.60936      367.2614       9.613690      197.4276 3.446671 191.6112 2.508645 5.816406       4.262961 
1 1 1 9  9  22 o 401.7965 3.712991 1617.395       29.74789      1595.433       49.88918      1639.358       32.41875      398.9165 6.253084 404.6765 4.005515 -5.759949      7.425982 
1 1 1 9  9  23 o 356.5481 2.999859 1273.796       21.38107      1268.837       34.05528      1278.047       25.85849      355.8206 4.785457 357.2757 3.618843 -1.455078      5.999718 
1 1 1 9  9  24 o 131.5656 2.104400 173.2873       5.509629      168.6824       9.096521      177.8922       6.216664      129.7934 3.504232 133.3379 2.331170 -3.544510      4.208799 
1 1 1 9  9  25 o 355.2025 2.993820 1264.586       21.21105      1239.082       33.46018      1290.091       26.07811      351.5175 4.759390 358.8876 3.633186 -7.370117      5.987640 
1 1 1 9  9  26 o 169.1438 2.017734 286.4271       6.818849      284.7268       10.99517      288.1273       8.069265      168.6121 3.260493 169.6755 2.377852 -1.063370      4.035467 
1 1 1 9  9  27 o 62.34413 2.475713 38.96485       3.103019      40.37467       5.037092      37.56211       3.625148      63.44949 3.969372 61.23878 2.959847 2.210709       4.951425 
1 1 1 9  9  28 o 225.4533 2.824138 510.4395       12.55377      484.3685       21.82031      536.5105       12.41208      219.4686 4.971169 231.4380 2.681512 -11.96941      5.648277 
1 1 1 9  9  29 o 67.83089 4.045596 46.37525       5.474916      46.37525       10.42841      46.37525       3.331848      67.61199 7.711953 68.04979 2.448097 -0.4377975     8.091192 
1 1 1 9  9  30 f 60.63098 5.422077 39.09945       5.280799      25.28464       10.00334      52.91426       3.394193      48.57890 10.58980 72.68306 2.334927 -24.10416      10.84415 
1 1 1 9  9  31 o 176.7953 2.744319 314.4109       9.450747      291.5279       17.14453      337.3647       7.970083      170.0538 5.040915 183.5369 2.171248 -13.48312      5.488637 
1 1 1 9  9  32 o 227.0180 2.881556 518.2325       13.07802      519.7911       23.78981      516.7447       10.88182      226.9364 5.241516 227.0997 2.395825 -0.1632843     5.763113 
1 1 1 9  9  33 o 156.4633 2.944252 246.4704       9.216957      248.0290       17.23663      244.9118       6.539719      156.5638 5.504668 156.3628 2.091200 0.2009277      5.888505 
1 1 1 9  9  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  9  35 o 111.1911 3.488528 126.1044       8.196787      144.9492       15.74888      107.1888       4.569514      118.9873 6.617883 103.3949 2.209738 15.59240       6.977057 
1 1 1 9  9  36 o 100.8244 3.806859 103.7882       7.275800      92.09874       13.72979      115.4776       4.818889      94.36345 7.274954 107.2853 2.245829 -12.92188      7.613718 
1 1 1 9  9  37 o 39.91652 7.026754 18.37724       6.284676      24.66829       11.87365      12.09327       4.114688      46.08505 12.54731 33.74799 6.329786 12.33706       14.05351 
1 1 1 9  9  38 o 107.0670 3.791800 117.8155       7.998421      115.4776       14.77122      120.2243       6.161405      104.9166 7.039503 109.2173 2.820709 -4.300705      7.583601 
1 1 1 9  9  39 o 60.08324 6.247181 39.79374       6.535468      32.27706       12.25622      47.31750       4.539051      51.81355 12.04511 68.35294 3.320304 -16.53938      12.49436 
1 1 1 9  9  40 o 65.76668 5.147016 46.74364       6.676449      47.96927       12.60336      45.51803       4.418614      64.63300 9.749940 66.90035 3.302385 -2.267349      10.29403 
1 1 1 9  9  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  9  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  9  43 o 39.04342 7.098569 20.70805       5.677533      19.78706       8.898154      21.63612       7.055471      36.77234 11.14055 41.31449 8.800397 -4.542149      14.19714 
1 1 1 9  9  44 o 26.04503 6.764221 8.961915       5.066138      4.287550       7.615856      13.63770       6.681408      21.56549 9.401011 30.52457 9.728296 -8.959074      13.52844 
1 1 1 9  10 0  o 114.4765 2.668351 131.2761       6.101895      131.2761       6.101895      131.2761       6.101895      114.4765 2.668351 114.4765 2.668351 0.000000       0.000000 
1 1 1 9  10 1  o 305.7445 2.544537 935.1564       15.55760      936.5732       21.99743      933.7395       22.01160      305.9763 3.594630 305.5127 3.602403 0.4635315      5.089074 
1 1 1 9  10 2  o 659.6415 4.892617 4356.979       64.55412      4342.810       90.96520      4371.856       91.60282      658.5439 6.906542 660.7391 6.931845 -2.195251      9.785233 
1 1 1 9  10 3  o 278.9211 2.392293 778.5886       13.34723      771.5040       18.73146      784.9646       19.01485      277.7153 3.372422 280.1269 3.393970 -2.411621      4.784586 
1 1 1 9  10 4  o 283.7050 2.421256 804.8012       13.73688      812.5942       19.58161      797.7167       19.27697      285.0153 3.435185 282.3947 3.413126 2.620605       4.842512 
1 1 1 9  10 5  o 281.1966 2.602814 791.3406       14.63661      790.6322       22.12495      791.3406       19.17071      281.1268 3.935048 281.2664 3.407926 -0.1396790     5.205628 
1 1 1 9  10 6  f 123.4507 2.351716 152.4588       5.816390      155.7885       8.926493      149.1291       7.459997      124.7964 3.576422 122.1050 3.054748 2.691460       4.703433 
1 1 1 9  10 7  o 250.1809 2.862787 626.1297       14.32489      625.0670       22.05410      627.1924       18.27806      249.9602 4.411523 250.4016 3.649748 -0.4414063     5.725574 
1 1 1 9  10 8  o 267.9642 3.310460 718.3701       17.74672      745.2913       25.51843      691.9448       24.66121      272.9391 4.674748 262.9892 4.688635 9.949921       6.620919 
1 1 1 9  10 9  o 603.7274 6.381767 3652.778       77.07955      3798.719       112.7855      3506.128       105.2051      615.8083 9.157519 591.6464 8.890875 24.16187       12.76353 
1 1 1 9  10 10 o 241.8387 3.126395 585.3228       15.11836      607.0015       21.59361      563.6442       21.16854      246.3197 4.383249 237.3577 4.459206 8.961929       6.252790 
1 1 1 9  10 11 o 523.7346 4.864505 2746.668       50.83142      2791.300       59.70123      2701.327       82.25125      528.1224 5.652215 519.3469 7.918719 8.775452       9.729011 
1 1 1 9  10 12 o 369.0936 3.436451 1363.061       25.36966      1342.516       35.31632      1383.606       36.43568      366.3133 4.820508 371.8739 4.898929 -5.560608      6.872903 
1 1 1 9  10 13 o 99.21484 2.458889 98.54564       4.885483      105.4176       7.204955      91.74451       6.599228      102.6590 3.509168 95.77069 3.445328 6.888313       4.917778 
1 1 1 9  10 14 o 368.5143 3.207412 1358.811       23.63395      1352.434       35.69889      1365.187       30.97351      367.6344 4.855216 369.3943 4.192473 -1.759888      6.414823 
1 1 1 9  10 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 16 o 627.7457 5.091518 3946.077       63.87401      3894.360       95.71184      3997.794       84.58914      623.5750 7.674445 631.9164 6.693065 -8.341431      10.18304 
1 1 1 9  10 17 o 247.2867 2.529270 611.7481       12.51834      614.5819       20.15545      608.9143       14.84915      247.8454 4.066134 246.7280 3.009215 1.117447       5.058539 
1 1 1 9  10 18 o 314.1051 2.774707 986.8733       17.39958      974.8296       27.56586      999.6255       21.24647      312.1085 4.416070 316.1016 3.360703 -3.993103      5.549414 
1 1 1 9  10 19 o 327.9413 3.260572 1076.847       21.33148      1064.095       36.01769      1088.890       22.86174      325.9863 5.524418 329.8964 3.464988 -3.910126      6.521145 
1 1 1 9  10 20 o 334.6458 2.980828 1120.771       19.90041      1083.931       29.76914      1158.319       26.42525      329.0720 4.523197 340.2195 3.883559 -11.14755      5.961656 
1 1 1 9  10 21 o 290.4280 2.608729 843.7661       15.16087      846.5999       24.32115      841.6407       18.10094      290.8235 4.181427 290.0325 3.120503 0.7910461      5.217458 
1 1 1 9  10 22 o 146.4044 2.060240 214.5192       6.011921      209.9851       9.634944      219.0533       7.197870      144.8411 3.326039 147.9676 2.432245 -3.126480      4.120480 
1 1 1 9  10 23 o 69.84999 2.544612 48.87609       3.573431      50.78183       5.749086      46.96327       4.245043      71.20321 4.037097 68.49678 3.098717 2.706429       5.089224 
1 1 1 9  10 24 o 115.1076 2.071920 132.6930       4.801178      138.5732       7.856731      126.8129       5.524507      117.6425 3.339239 112.5727 2.453751 5.069839       4.143841 
1 1 1 9  10 25 o 232.5039 2.304778 541.4697       10.76138      556.2055       17.57669      526.6630       12.42624      235.6262 3.729783 229.3816 2.708641 6.244614       4.609557 
1 1 1 9  10 26 o 174.0464 2.063630 303.3590       7.183701      302.8632       11.63278      303.7841       8.423491      173.8781 3.345097 174.2147 2.417561 -0.3366547     4.127260 
1 1 1 9  10 27 o 117.3465 2.002577 138.0064       4.742376      145.8702       7.842561      130.2134       5.338184      120.6460 3.250238 114.0470 2.340344 6.598969       4.005154 
1 1 1 9  10 28 o 76.13827 2.269089 58.11430       3.462204      59.04237       5.552845      57.18623       4.138067      76.72134 3.618840 75.55519 2.738440 1.166153       4.538177 
1 1 1 9  10 29 o 88.26778 3.545306 78.49645       6.109688      73.82067       11.32814      83.17223       4.575181      85.41412 6.631307 91.12143 2.510486 -5.707314      7.090611 
1 1 1 9  10 30 o 172.1084 2.725415 297.4789       9.386987      298.8958       17.25788      296.1328       7.389152      172.2489 5.009579 171.9679 2.148410 0.2809296      5.450830 
1 1 1 9  10 31 o 169.9940 2.813316 290.7486       9.677451      302.0838       17.64754      279.4134       7.934660      173.0003 5.100436 166.9877 2.375822 6.012604       5.626631 
1 1 1 9  10 32 o 181.5652 2.844079 331.8388       10.47800      346.6454       19.47534      317.0322       7.729208      185.2328 5.256989 177.8976 2.172375 7.335205       5.688159 
1 1 1 9  10 33 o 123.6502 3.374715 154.3716       8.147196      146.2953       15.37340      162.4480       5.400528      119.9610 6.407665 127.3394 2.120525 -7.378349      6.749430 
1 1 1 9  10 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 35 o 92.50984 4.090666 87.35210       7.176617      78.00054       13.67312      96.70367       4.358396      86.81752 7.874632 98.20217 2.219093 -11.38465      8.181333 
1 1 1 9  10 36 o 85.44502 4.152292 75.02505       7.360813      83.88069       13.79356      66.23316       5.119273      89.78349 7.681567 81.10657 3.155893 8.676918       8.304585 
1 1 1 9  10 37 o 37.04692 6.941924 13.94233       6.285384      11.33523       11.78864      16.54943       4.366897      33.92765 12.77540 40.16620 5.436035 -6.238548      13.88385 
1 1 1 9  10 38 o 37.03265 6.469436 12.58210       6.266256      4.283299       11.83114      20.87807       4.124607      28.82467 12.10927 45.24063 4.558520 -16.41597      12.93887 
1 1 1 9  10 39 o 42.98933 6.921041 20.84974       6.364731      21.22522       12.05077      20.48134       4.111146      41.29765 13.05520 44.68102 4.600550 -3.383377      13.84208 
1 1 1 9  10 40 o 62.41077 6.105403 43.23681       6.864190      39.72289       12.89382      46.75073       4.710496      57.03361 11.70607 67.78793 3.474436 -10.75431      12.21081 
1 1 1 9  10 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  10 42 o 36.73222 7.372099 17.92383       5.716498      18.15762       8.806056      17.69713       7.289969      36.32296 11.09840 37.14148 9.706535 -0.8185158     14.74420 
1 1 1 9  10 43 f 60.23072 5.175869 42.74798       6.232958      43.81774       9.535762      41.68530       8.033843      60.20364 7.919588 60.25779 6.666227 -0.5415344E-01 10.35174 
1 1 1 9  10 44 o 90.71712 4.014825 94.36578       7.226208      79.77167       10.03876      108.9599       10.39299      82.89228 6.055306 98.54197 5.273381 -15.64969      8.029650 
1 1 1 9  11 0  o 258.2964 3.245865 667.5742       16.76197      667.5742       16.76197      667.5742       16.76197      258.2964 3.245865 258.2964 3.245865 0.000000       0.000000 
1 1 1 9  11 1  o 332.8555 2.724779 1108.727       18.14345      1120.771       25.92933      1095.975       25.37674      334.7166 3.873327 330.9945 3.833408 3.722076       5.449558 
1 1 1 9  11 2  o 761.5581 6.482510 5812.139       98.75818      5751.920       138.1481      5871.648       141.1236      757.6444 9.116948 765.4717 9.218081 -7.827332      12.96502 
1 1 1 9  11 3  o 99.65564 2.346823 99.67917       4.668697      110.6602       6.765006      88.62732       6.436285      105.1822 3.215850 94.12904 3.418863 11.05320       4.693646 
1 1 1 9  11 4  o 816.3099 6.926857 6677.867       113.0689      6718.249       160.7477      6638.193       159.1183      818.7526 9.816624 813.8672 9.775445 4.885315       13.85371 
1 1 1 9  11 5  o 158.4927 2.204928 251.3587       6.995961      241.0153       9.464915      261.7021       10.30797      155.2311 3.048654 161.7543 3.186305 -6.523270      4.409856 
1 1 1 9  11 6  o 324.9362 3.084478 1056.302       20.04918      1041.424       27.85633      1071.179       28.84107      322.6491 4.316814 327.2233 4.406940 -4.574188      6.168955 
1 1 1 9  11 7  f 446.2692 3.732839 1992.875       33.27598      2031.840       44.54745      1953.910       49.44993      450.6479 4.942601 441.8904 5.595271 8.757416       7.465679 
1 1 1 9  11 8  o 403.0044 3.180635 1625.188       25.63179      1620.938       36.23731      1628.731       36.27273      402.5211 4.501294 403.4877 4.494899 -0.9666748     6.361270 
1 1 1 9  11 9  o 417.7191 3.536300 1746.334       29.52827      1729.331       44.34908      1762.628       38.98610      415.7103 5.334133 419.7280 4.644210 -4.017700      7.072600 
1 1 1 9  11 10 o 228.5791 2.637850 522.6957       12.05077      519.7911       19.53202      525.5295       14.11236      227.9397 4.284471 229.2186 3.078363 -1.278900      5.275700 
1 1 1 9  11 11 f 347.7752 3.270929 1210.036       22.75547      1219.246       32.61712      1200.826       31.73155      349.0972 4.671639 346.4533 4.579485 2.643921       6.541857 
1 1 1 9  11 12 o 422.9481 3.596815 1789.549       30.41383      1781.048       45.82266      1798.759       40.00627      421.8846 5.430711 424.0116 4.717592 -2.127014      7.193629 
1 1 1 9  11 13 o 458.4107 4.125582 2103.394       37.82424      2112.603       53.72190      2094.184       53.26141      459.4134 5.846793 457.4080 5.822089 2.005402       8.251164 
1 1 1 9  11 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 15 o 320.0204 3.453927 1024.421       22.07536      1016.628       36.41442      1032.923       24.95876      318.7120 5.712747 321.3287 3.883680 -2.616669      6.907854 
1 1 1 9  11 16 o 523.0354 4.672171 2739.583       48.88317      2775.714       70.00212      2702.743       68.23808      526.5148 6.647688 519.5560 6.566961 6.958862       9.344342 
1 1 1 9  11 17 f 417.7799 3.609048 1747.042       30.15879      1746.334       45.76598      1747.751       39.27657      417.6653 5.478787 417.8945 4.699340 -0.2291870     7.218096 
1 1 1 9  11 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 19 o 423.1368 3.617304 1793.092       30.64762      1818.596       47.01286      1766.879       39.33324      426.1465 5.516044 420.1271 4.681112 6.019440       7.234608 
1 1 1 9  11 20 o 67.57126 3.402851 46.10604       4.546135      54.60038       6.480209      37.61171       6.377483      73.85611 4.387050 61.28641 5.203015 12.56970       6.805702 
1 1 1 9  11 21 o 269.0633 2.513012 724.7462       13.63061      761.5857       22.42250      688.5443       15.50801      275.8066 4.064895 262.3199 2.955935 13.48669       5.026024 
1 1 1 9  11 22 o 131.8735 2.151758 174.1374       5.696661      179.3800       9.068183      168.8241       6.896070      133.8588 3.387219 129.8882 2.654617 3.970612       4.303516 
1 1 1 9  11 23 o 208.4430 2.248783 434.9894       9.351563      427.0547       14.99793      442.9241       11.16520      206.5076 3.631325 210.3785 2.653598 -3.870895      4.497567 
1 1 1 9  11 24 o 424.5221 3.469052 1807.969       29.40075      1781.756       46.40359      1833.473       36.10270      421.3224 5.506899 427.7218 4.220348 -6.399414      6.938103 
1 1 1 9  11 25 o 95.88024 2.256948 92.02789       4.323681      91.31944       6.714706      92.80718       5.450119      95.47822 3.516355 96.28226 2.830282 -0.8040466     4.513895 
1 1 1 9  11 26 o 222.9998 2.532240 498.6084       11.39190      518.3033       19.56035      478.9843       11.68237      227.2832 4.303080 218.7163 2.670667 8.566864       5.064480 
1 1 1 9  11 27 o 249.1722 2.413061 622.5165       12.04368      630.0970       19.53202      614.9362       14.10528      250.5905 3.897198 247.7538 2.846631 2.836670       4.826123 
1 1 1 9  11 28 o 93.39482 2.143769 87.42295       3.994960      86.00604       6.371107      88.83985       4.821014      92.60850 3.439807 94.18115 2.559437 -1.572655      4.287539 
1 1 1 9  11 29 o 27.20268 4.832461 8.048012       2.829556      12.69546       4.538342      3.401986       3.381440      34.82676 6.756727 19.57860 6.910670 15.24817       9.664922 
1 1 1 9  11 30 o 99.12930 2.108858 98.54564       4.194035      100.9544       6.716123      96.13691       5.025757      100.3064 3.347802 97.95214 2.565415 2.354309       4.217716 
1 1 1 9  11 31 o 73.41479 4.009012 54.49411       5.907071      55.42927       11.20062      53.55895       3.753378      73.72785 7.595923 73.10175 2.567228 0.6261063      8.018024 
1 1 1 9  11 32 o 94.81682 3.807657 91.17775       6.881192      81.40111       12.97884      100.8835       4.566680      89.29546 7.267355 100.3382 2.275644 -11.04271      7.615314 
1 1 1 9  11 33 o 64.46175 6.269007 43.83191       8.062181      48.99652       15.58594      38.66730       4.111146      66.89918 12.09208 62.02431 3.314140 4.874863       12.53801 
1 1 1 9  11 34 o 100.9146 4.010003 103.8590       8.295970      111.5812       15.92599      96.06606       4.655945      103.9680 7.659083 97.86111 2.378854 6.106926       8.020006 
1 1 1 9  11 35 o 67.47058 5.117105 46.98452       6.568765      42.94635       12.61044      51.01562       3.673322      63.65988 9.904544 71.28129 2.576639 -7.621410      10.23421 
1 1 1 9  11 36 o 46.21769 6.881477 22.83340       6.467456      16.11019       12.16412      29.55661       4.394526      38.39394 13.14867 54.04143 4.065886 -15.64749      13.76295 
1 1 1 9  11 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  11 38 o 76.24412 4.802606 61.01187       7.076016      58.10722       13.26930      63.91652       4.920197      72.96069 9.093460 79.52755 3.093392 -6.566864      9.605212 
1 1 1 9  11 39 o 142.2657 3.381636 209.1350       9.649114      215.2276       17.73963      203.1131       7.573349      142.7482 6.213610 141.7833 2.670748 0.9649200      6.763272 
1 1 1 9  11 40 o 27.82931 7.144243 5.944619       7.057597      2.255710       13.36140      9.634944       4.556762      26.78946 12.01430 28.86916 7.734180 -2.079704      14.28849 
1 1 1 9  11 41 o 63.45145 5.664496 45.87225       7.063973      39.86458       10.45675      51.87284       9.500339      58.31746 8.965366 68.58544 6.925915 -10.26798      11.32899 
1 1 1 9  11 42 f 46.38327 6.757747 27.16204       6.136609      23.71897       9.415324      30.59803       7.877984      41.39053 11.13040 51.37600 7.666989 -9.985466      13.51549 
1 1 1 9  11 43 o 57.65347 5.449054 40.92726       6.262005      49.62704       9.479085      32.22747       8.189702      64.28578 7.372614 51.02115 8.025792 13.26463       10.89811 
1 1 1 9  11 44 o 28.94313 7.097043 13.51726       5.611646      6.516339       8.026759      20.51676       7.842561      22.28056 9.681467 35.60571 10.37985 -13.32515      14.19409 
1 1 1 9  12 0  o 140.3630 3.943758 197.5164       11.05185      197.5164       11.05185      197.5164       11.05185      140.3630 3.943758 140.3630 3.943758 0.000000       0.000000 
1 1 1 9  12 1  o 194.9046 4.114668 0.000000       0.000000      ?              ?             380.0135       16.03935      ?        ?        194.9046 4.114668 ?              ?        
1 1 1 9  12 2  o 788.3178 7.499802 6228.708       118.1698      6191.160       182.0721      6266.965       150.6877      785.7413 11.58601 790.8943 9.526412 -5.152954      14.99960 
1 1 1 9  12 3  o 97.92917 2.486286 95.99522       4.870606      90.82352       6.718248      101.1669       7.054055      95.28925 3.525187 100.5691 3.507069 -5.279854      4.972572 
1 1 1 9  12 4  o 269.8764 2.399917 728.9969       12.95758      708.4518       17.93091      748.8336       18.71021      266.1370 3.368738 273.6159 3.419066 -7.478882      4.799834 
1 1 1 9  12 5  o 495.2410 3.789444 2454.077       37.53378      2453.369       53.07721      2454.785       53.08429      495.1695 5.359499 495.3125 5.358666 -0.1430054     7.578887 
1 1 1 9  12 6  o 501.5859 3.833641 2517.838       38.46185      2521.380       54.47286      2513.587       54.30283      501.9738 5.425867 501.1979 5.417304 0.7758484      7.667282 
1 1 1 9  12 7  o 318.4574 2.673394 1014.503       17.03118      1020.879       24.22905      1008.127       23.93150      319.4578 3.792215 317.4570 3.769251 2.000824       5.346788 
1 1 1 9  12 8  o 480.5576 3.695904 2310.970       35.52177      2336.474       50.78891      2285.465       49.68372      483.2077 5.255391 477.9075 5.198048 5.300201       7.391809 
1 1 1 9  12 9  o 325.7163 2.719949 1061.261       17.71838      1059.135       25.01543      1063.386       25.10045      325.3902 3.843913 326.0424 3.849262 -0.6521606     5.439898 
1 1 1 9  12 10 o 362.5704 3.163720 1315.595       22.97509      1340.391       35.06128      1290.091       29.69830      366.0263 4.789448 359.1146 4.134934 6.911713       6.327440 
1 1 1 9  12 11 o 270.6133 2.435186 732.5391       13.17720      739.6237       18.79523      725.4547       18.48351      271.9217 3.456000 269.3050 3.431705 2.616669       4.870373 
1 1 1 9  12 12 o 724.1365 5.817382 5253.878       84.30576      5313.388       128.7257      5194.369       108.9599      728.1317 8.839451 720.1414 7.565173 7.990356       11.63476 
1 1 1 9  12 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 14 o 126.6017 2.624375 160.3935       6.663697      166.4153       10.21588      154.3716       8.558097      128.9760 3.960379 124.2274 3.444529 4.748589       5.248750 
1 1 1 9  12 15 o 210.8605 3.185621 445.0494       13.55268      462.4065       23.33640      427.6924       13.79356      214.9464 5.428423 206.7746 3.335409 8.171844       6.371242 
1 1 1 9  12 16 o 383.7589 3.930960 1474.997       30.01002      1430.364       48.81941      1518.921       34.92667      377.9228 6.458913 389.5949 4.482434 -11.67209      7.861919 
1 1 1 9  12 17 o 635.8856 5.178716 4052.344       65.84351      4044.551       99.67917      4060.137       86.07689      635.1717 7.846632 636.5996 6.760678 -1.427917      10.35743 
1 1 1 9  12 18 o 554.7584 4.572254 3083.891       50.73223      3087.433       77.00871      3079.640       66.07021      555.0279 6.937373 554.4890 5.957757 0.5388794      9.144507 
1 1 1 9  12 19 o 181.0192 2.715865 328.2965       9.918325      350.6128       16.00393      305.9803       11.71779      187.1633 4.275391 174.8752 3.350331 12.28815       5.431729 
1 1 1 9  12 20 o 570.7335 4.690075 3265.963       53.51645      3258.170       80.97604      3274.464       70.01629      569.9066 7.104326 571.5604 6.125013 -1.653809      9.380151 
1 1 1 9  12 21 o 39.77126 4.718025 16.15270       3.690325      17.28622       5.743419      15.01209       4.634692      40.86057 7.290385 38.68194 5.990769 2.178623       9.436049 
1 1 1 9  12 22 o 207.1858 2.517236 429.8177       10.42841      429.8885       15.12545      429.7468       14.36740      207.1960 3.650033 207.1757 3.467445 0.2035522E-01  5.034472 
1 1 1 9  12 23 o 178.9732 2.474647 320.8578       8.820225      310.2310       13.99901      331.4846       10.71888      175.9713 3.977639 181.9751 2.945150 -6.003754      4.949295 
1 1 1 9  12 24 o 171.9959 2.828167 296.8413       9.514507      275.0210       16.71946      318.6616       9.096521      165.5578 5.049433 178.4341 2.548987 -12.87625      5.656333 
1 1 1 9  12 25 o 206.3238 2.868262 427.5507       11.54776      390.5695       19.98542      464.6027       11.59027      197.2253 5.066648 215.4223 2.690128 -18.19695      5.736524 
1 1 1 9  12 26 o 92.61314 2.254047 85.93520       4.193326      88.41478       6.846478      83.52647       4.843685      93.89996 3.645623 91.32632 2.651856 2.573639       4.508094 
1 1 1 9  12 27 o 121.7188 2.226827 148.9166       5.383525      133.1181       7.792970      164.7150       7.431659      115.2224 3.381707 128.2152 2.898120 -12.99274      4.453655 
1 1 1 9  12 28 o 58.22382 2.789332 34.05528       3.262421      35.58553       5.120689      32.53210       4.043843      59.50658 4.302625 56.94106 3.550903 2.565525       5.578664 
1 1 1 9  12 29 o 45.70802 3.384160 21.46609       3.124272      27.49501       4.998836      15.43716       3.750544      52.25879 4.782770 39.15726 4.789079 13.10154       6.768321 
1 1 1 9  12 30 o 223.4984 2.312367 501.4422       10.37173      513.4150       16.87532      489.5402       12.06493      226.0315 3.732957 220.9651 2.730053 5.066391       4.624734 
1 1 1 9  12 31 o 301.0922 2.735224 911.7775       16.46442      910.3606       26.43233      912.4859       19.63828      300.6829 4.395384 301.5015 3.256748 -0.8185425     5.470448 
1 1 1 9  12 32 o 100.0129 3.930475 101.2378       7.821308      100.6002       14.41699      101.8754       6.067889      99.27248 7.261324 100.7533 3.011261 -1.480804      7.860949 
1 1 1 9  12 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 34 o 91.37191 4.397144 85.58098       7.502505      73.67899       14.24696      97.41212       4.733166      84.20178 8.460014 98.54204 2.401597 -14.34026      8.794289 
1 1 1 9  12 35 o 28.25392 6.246773 3.090267       6.245711      -3.718663      12.07202      9.897071       3.208578      25.32020 11.38543 31.18765 5.143988 -5.867455      12.49355 
1 1 1 9  12 36 o 30.10149 6.946685 8.600604       6.163530      9.075267       11.95867      8.125941       3.003835      32.51508 12.70587 27.68789 5.620200 4.827188       13.89337 
1 1 1 9  12 37 o 59.45103 6.248276 38.39808       7.004463      38.28473       13.10636      38.51852       4.937201      57.32025 11.83615 61.58181 4.008652 -4.261555      12.49655 
1 1 1 9  12 38 o 49.70528 6.980122 27.72880       6.777758      24.20780       12.79464      31.24272       4.475998      44.03669 13.36240 55.37387 4.041616 -11.33718      13.96024 
1 1 1 9  12 39 o 85.12695 4.623701 77.15040       7.516674      71.97870       14.04151      82.25125       5.357312      80.18065 8.756174 90.07327 2.973864 -9.892616      9.247402 
1 1 1 9  12 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  12 42 o 31.35019 8.148896 14.03443       7.226208      18.15053       8.997337      9.918325       11.31397      35.03238 11.30167 27.66800 11.74267 7.364382       16.29779 
1 1 1 9  12 43 o 42.54185 7.396587 27.62962       7.552096      39.30490       9.181536      15.95433       11.98701      55.60426 8.256144 29.47944 12.27494 26.12482       14.79317 
1 1 1 9  13 0  o 551.1627 5.912333 3039.967       65.15631      3039.967       65.15631      3039.967       65.15631      551.1627 5.912333 551.1627 5.912333 0.000000       0.000000 
1 1 1 9  13 1  o 135.5837 2.341039 183.9141       6.349853      186.1103       9.259464      181.6470       8.692703      136.4056 3.394092 134.7617 3.225213 1.643951       4.682078 
1 1 1 9  13 2  o 493.9597 4.383379 2443.450       43.36433      2563.179       64.24949      2323.722       58.27016      506.0590 6.348024 481.8604 6.046374 24.19861       8.766758 
1 1 1 9  13 3  o 354.9978 3.360756 1261.044       23.86774      1290.799       34.62912      1231.289       32.86508      359.1840 4.820527 350.8116 4.684149 8.372406       6.721512 
1 1 1 9  13 4  o 419.6689 3.831512 1762.628       32.17080      1800.176       46.55946      1725.080       44.40576      424.1357 5.488746 415.2022 5.347486 8.933411       7.663023 
1 1 1 9  13 5  o 685.7297 5.900762 4710.496       80.90520      4779.216       116.2569      4641.776       112.6438      690.7221 8.415608 680.7374 8.273663 9.984680       11.80152 
1 1 1 9  13 6  o 288.7082 2.752661 833.8478       15.88349      826.0548       24.00943      841.6407       20.80014      287.3511 4.177717 290.0654 3.585423 -2.714294      5.505323 
1 1 1 9  13 7  o 157.1217 2.283623 246.9663       7.169532      245.9036       11.05893      247.9581       9.139028      156.7914 3.526639 157.4521 2.902162 -0.6606903     4.567245 
1 1 1 9  13 8  o 242.4540 2.310491 588.0150       11.20062      592.7616       16.03226      583.1974       15.65678      243.4395 3.292864 241.4685 3.241994 1.971085       4.620982 
1 1 1 9  13 9  o 377.8841 3.058292 1428.947       23.10970      1413.361       32.40458      1443.825       32.97134      375.8701 4.310610 379.8981 4.339498 -4.028046      6.116584 
1 1 1 9  13 10 o 59.92959 3.210507 35.96101       3.842643      37.76048       5.391318      34.15446       5.477749      61.43412 4.387887 58.42506 4.687842 3.009056       6.421014 
1 1 1 9  13 11 o 106.1506 2.342721 112.7147       4.976873      116.7529       7.219123      108.7474       6.850020      108.0351 3.341101 104.2660 3.284877 3.769089       4.685442 
1 1 1 9  13 12 o 649.3257 5.278543 4222.373       68.62772      4174.198       88.76900      4271.256       104.6383      645.6686 6.874194 652.9827 8.012335 -7.314148      10.55709 
1 1 1 9  13 13 o 270.3468 2.567326 731.1223       13.87857      730.4138       19.63828      731.8307       19.62411      270.2157 3.633816 270.4778 3.627675 -0.2621155     5.134651 
1 1 1 9  13 14 o 233.9265 2.833771 547.7040       13.28347      523.4750       17.69713      572.0040       19.80831      228.7463 3.868286 239.1068 4.142148 -10.36044      5.667542 
1 1 1 9  13 15 o 197.1552 2.785395 388.9400       10.98100      395.1036       15.71346      382.7765       15.35215      198.7171 3.953727 195.5934 3.924507 3.123718       5.570791 
1 1 1 9  13 16 o 375.7741 3.363616 1413.361       25.28464      1419.737       38.57520      1406.985       32.70922      376.5943 5.121585 374.9538 4.361766 1.640503       6.727232 
1 1 1 9  13 17 o 187.8554 2.419466 353.2340       9.061099      338.7816       13.63770      367.6865       11.93033      184.0020 3.705855 191.7088 3.111576 -7.706757      4.838932 
1 1 1 9  13 18 o 79.43559 3.832227 63.21515       6.163530      65.73016       11.17229      60.70015       5.204287      80.98173 6.898028 77.88944 3.340816 3.092285       7.664454 
1 1 1 9  13 19 o 415.4240 3.995864 1729.331       33.20514      1731.456       56.69031      1726.497       34.58662      415.5459 6.821186 415.3021 4.164031 0.2438354      7.991729 
1 1 1 9  13 20 o 331.6759 3.456544 1102.351       22.92550      1102.351       37.42751      1102.351       26.48901      331.5626 5.644110 331.7893 3.991843 -0.2267456     6.913087 
1 1 1 9  13 21 o 239.3693 2.868056 574.1293       13.81481      593.8242       22.90425      554.3635       15.44425      243.4160 4.704754 235.3227 3.281505 8.093307       5.736113 
1 1 1 9  13 22 o 334.2272 3.073565 1119.354       20.60178      1154.068       32.05036      1085.348       25.90100      339.2929 4.723111 329.1615 3.934390 10.13135       6.147130 
1 1 1 9  13 23 o 257.0835 2.892678 662.4024       14.93416      678.9802       24.51952      645.8955       17.05243      260.2046 4.711585 253.9624 3.357276 6.242203       5.785356 
1 1 1 9  13 24 o 224.6976 2.707013 505.9763       12.17120      507.8182       19.71621      504.1343       14.27530      225.0321 4.380756 224.3631 3.181295 0.6690063      5.414025 
1 1 1 9  13 25 o 188.7824 2.527532 357.2722       9.578268      366.0571       15.56469      348.5583       11.16520      191.0259 4.073972 186.5389 2.992728 4.487045       5.055064 
1 1 1 9  13 26 o 66.89409 2.737621 44.90876       3.646401      43.46352       5.759713      46.36108       4.472456      65.78310 4.377806 68.00508 3.288325 -2.221985      5.475242 
1 1 1 9  13 27 o 107.6854 2.287462 116.4695       4.972623      126.3878       7.977167      106.5511       5.943202      112.2509 3.553276 103.1200 2.881692 9.130882       4.574923 
1 1 1 9  13 28 o 67.66187 2.713946 46.38234       3.760462      54.92627       6.257046      37.83841       4.173490      73.91596 4.232541 61.40777 3.398177 12.50819       5.427892 
1 1 1 9  13 29 o 141.2859 2.108734 200.2085       5.972248      203.7507       9.613690      196.5954       7.091603      142.4955 3.373333 140.0763 2.531335 2.419113       4.217467 
1 1 1 9  13 30 o 142.3002 2.110339 203.1131       6.010505      204.3884       9.606606      201.8379       7.226208      142.6880 3.366297 141.9123 2.546011 0.7756805      4.220679 
1 1 1 9  13 31 o 165.1055 2.175676 273.7458       7.134109      260.1435       11.22188      287.4189       8.813140      160.9032 3.487151 169.3077 2.602699 -8.404495      4.351352 
1 1 1 9  13 32 o 174.1487 2.284318 304.7051       7.977167      311.0103       12.89382      298.4707       9.401155      175.8228 3.666710 172.4745 2.725375 3.348282       4.568635 
1 1 1 9  13 33 o 73.66158 6.297678 57.28542       8.373900      50.66847       15.77014      63.89526       5.633609      67.66586 12.08878 79.65730 3.536154 -11.99143      12.59536 
1 1 1 9  13 34 o 42.20020 7.008827 19.05027       6.573016      20.86390       12.65295      17.24372       3.579807      43.10372 13.33075 41.29668 4.334255 1.807041       14.01765 
1 1 1 9  13 35 o 127.1089 3.372654 164.2191       8.579351      166.4862       16.23771      161.8812       5.542218      127.2000 6.382750 127.0178 2.181671 0.1822281      6.745308 
1 1 1 9  13 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  13 37 o 107.7026 4.242802 120.3660       9.231127      127.8755       15.79139      112.9272       9.571183      110.2405 7.162246 105.1646 4.550571 5.075859       8.485603 
1 1 1 9  13 38 o 63.14817 5.459274 43.32183       7.155363      50.12296       13.37557      36.52069       5.107938      66.56898 10.04640 59.72736 4.276045 6.841621       10.91855 
1 1 1 9  13 39 o 23.86271 7.201778 3.193701       6.580100      3.553594       12.27038      2.833807       4.752295      27.73680 12.00998 19.98862 7.951276 7.748171       14.40356 
1 1 1 9  13 40 o 43.07633 5.428966 0.000000       0.000000      ?              ?             20.26880       4.677198      ?        ?        43.07633 5.428966 ?              ?        
1 1 1 9  13 41 o 26.01641 7.786959 7.190785       7.162447      10.03168       12.36957      4.355562       7.226208      29.10781 12.31213 22.92502 9.537202 6.182795       15.57392 
1 1 1 9  13 42 o 19.90491 6.686677 -1.834182      7.190785      -0.1145566     12.68837      -3.553594      6.783425      23.03559 10.80804 16.77424 7.876094 6.261351       13.37335 
1 1 1 9  13 43 o 23.48229 7.163161 5.056929       7.119940      0.5768214      12.19954      9.535762       7.346645      21.66598 10.31514 25.29861 9.941903 -3.632629      14.32632 
1 1 1 9  14 0  o 415.3772 4.674570 1726.497       38.82316      1726.497       38.82316      1726.497       38.82316      415.3772 4.674570 415.3772 4.674570 0.000000       0.000000 
1 1 1 9  14 1  o 44.96847 4.641665 20.70805       3.953161      24.39199       5.131316      17.02410       6.014756      49.37206 5.196579 40.56487 7.692581 8.807186       9.283331 
1 1 1 9  14 2  o 308.2256 2.660129 950.7424       16.40066      962.0775       23.40725      938.6987       22.97509      310.1208 3.773891 306.3303 3.750052 3.790558       5.320258 
1 1 1 9  14 3  o 576.2580 4.362216 3323.347       50.27882      3343.184       71.48279      3304.219       70.71766      577.9457 6.184213 574.5703 6.153960 3.375366       8.724432 
1 1 1 9  14 4  o 458.5530 3.863258 2104.102       35.42967      2106.227       46.55946      2101.976       53.41018      458.8055 5.073986 458.3006 5.826982 0.5049133      7.726516 
1 1 1 9  14 5  o 245.3628 2.528063 602.1840       12.41916      594.0368       16.28022      610.4020       18.75272      243.7000 3.340217 247.0256 3.795703 -3.325607      5.056126 
1 1 1 9  14 6  o 521.1429 4.622683 2718.330       48.18181      2706.286       68.03971      2730.373       68.23808      519.9882 6.542429 522.2978 6.532487 -2.309631      9.245365 
1 1 1 9  14 7  o 731.5208 6.283014 5360.854       91.88619      5297.803       128.7257      5423.907       131.2761      727.2238 8.850487 735.8178 8.920423 -8.594055      12.56603 
1 1 1 9  14 8  o 161.5950 2.518996 261.2770       8.154280      269.3534       12.10036      253.2007       10.92433      164.0913 3.687080 159.0988 3.433190 4.992523       5.037992 
1 1 1 9  14 9  f 245.3228 2.789726 602.1132       13.69437      608.2767       19.87207      595.9496       18.83773      246.5762 4.029602 244.0695 3.859092 2.506653       5.579452 
1 1 1 9  14 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 11 o 277.2332 2.848233 768.6702       15.83390      787.7984       24.56202      750.2504       19.97126      280.6071 4.376586 273.8593 3.646262 6.747742       5.696467 
1 1 1 9  14 12 o 113.0004 3.231073 127.8047       7.318307      129.8592       11.46984      125.6794       9.082352      113.9181 5.034248 112.0827 4.051628 1.835320       6.462147 
1 1 1 9  14 13 o 302.0076 3.228362 913.1944       19.53910      957.1183       29.17405      869.2704       25.99310      309.2685 4.716620 294.7466 4.409397 14.52188       6.456724 
1 1 1 9  14 14 o 295.5207 2.942705 873.5211       17.38541      871.3957       26.39691      876.3549       22.64212      295.0870 4.472734 295.9543 3.825272 -0.8673401     5.885411 
1 1 1 9  14 15 o 432.4196 3.755179 1871.730       32.44709      1892.983       42.74798      1851.185       48.83358      434.8691 4.915040 429.9700 5.678720 4.899109       7.510358 
1 1 1 9  14 16 f 216.0000 2.491924 466.8698       10.76847      463.2566       14.09819      470.4120       16.28731      215.1807 3.275895 216.8193 3.755963 -1.638596      4.983849 
1 1 1 9  14 17 o 65.65613 3.196234 43.20139       4.187658      46.09187       5.877316      40.30382       5.967289      67.86053 4.330437 63.45171 4.702229 4.408821       6.392467 
1 1 1 9  14 18 o 330.0070 3.065119 1090.307       20.19796      1069.054       30.33591      1111.561       26.68738      326.7645 4.641861 333.2495 4.004115 -6.484985      6.130237 
1 1 1 9  14 19 o 202.0743 2.332238 408.7058       9.422408      408.7767       15.24588      408.6350       11.08727      202.0639 3.772540 202.0846 2.743224 -0.2073669E-01 4.664476 
1 1 1 9  14 20 f 103.3802 4.468241 107.3305       9.188620      106.2678       17.42792      108.3223       5.848269      102.7228 8.482980 104.0375 2.810654 -1.314690      8.936482 
1 1 1 9  14 21 o 245.5347 3.064495 604.1677       15.11128      616.0697       25.82307      592.2657       15.70638      247.8421 5.209581 243.2273 3.228745 4.614807       6.128991 
1 1 1 9  14 22 o 254.8611 3.054661 651.2797       15.72054      675.3671       27.68630      627.1924       14.89166      259.4212 5.336167 250.3009 2.974750 9.120224       6.109323 
1 1 1 9  14 23 o 197.1986 2.287439 389.6485       9.075267      405.8012       14.80664      373.4249       10.50634      201.2549 3.678580 193.1423 2.719845 8.112610       4.574878 
1 1 1 9  14 24 o 168.5271 2.524939 284.7976       8.565183      297.7623       13.95650      271.8329       9.939578      172.3114 4.049790 164.7428 3.016697 7.568619       5.049878 
1 1 1 9  14 25 o 45.43652 4.202859 20.85682       3.781715      18.78814       5.666906      22.91842       5.008046      43.14288 6.567604 47.73017 5.246206 -4.587296      8.405718 
1 1 1 9  14 26 o 222.4546 2.501547 496.4122       11.15812      509.7310       17.34290      483.0933       14.04151      225.3796 3.847486 219.5295 3.198093 5.850098       5.003094 
1 1 1 9  14 27 o 136.7366 2.301802 187.5272       6.298845      189.0149       9.656199      186.0394       8.090520      137.2451 3.517867 136.2282 2.969474 1.016891       4.603603 
1 1 1 9  14 28 o 77.74176 2.729919 60.72141       4.253545      62.59172       6.469582      58.84400       5.523090      78.92009 4.098818 76.56344 3.606872 2.356651       5.459838 
1 1 1 9  14 29 o 130.8737 2.140274 171.8704       5.618731      176.1211       8.983169      167.6197       6.754380      132.4375 3.391474 129.3098 2.611704 3.127701       4.280548 
1 1 1 9  14 30 o 51.90192 3.488219 27.38875       3.535174      22.56419       5.324015      32.20622       4.651694      47.22801 5.636501 56.57582 4.111027 -9.347813      6.976438 
1 1 1 9  14 31 o 152.3151 2.234962 233.0098       6.843644      242.0780       11.05185      223.9416       8.076350      155.1993 3.560534 149.4308 2.702372 5.768539       4.469923 
1 1 1 9  14 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 33 o 73.75755 2.879512 55.03962       4.249294      60.68597       6.259171      49.39326       5.749086      77.55683 4.035216 69.95827 4.108940 7.598564       5.759024 
1 1 1 9  14 34 o 84.85867 4.626189 74.17490       7.474166      65.72307       13.64478      82.60548       6.098353      79.16569 8.617864 90.55166 3.367334 -11.38597      9.252378 
1 1 1 9  14 35 o 63.28583 3.187068 0.000000       0.000000      ?              ?             40.36758       4.033925      ?        ?        63.28583 3.187068 ?              ?        
1 1 1 9  14 36 o 73.29152 8.059883 60.78516       10.67637      57.23582       20.92767      64.32742       4.264171      66.66361 15.89748 79.91943 2.667794 -13.25581      16.11977 
1 1 1 9  14 37 o 104.7797 5.753371 118.2406       12.11453      126.0336       22.67046      110.5185       8.543928      105.4402 10.75039 104.1193 4.102952 1.320885       11.50674 
1 1 1 9  14 38 o 29.38809 8.728971 11.83823       9.528677      20.76472       18.54727      2.917404       4.400194      39.20504 15.67146 19.57113 7.693187 19.63391       17.45794 
1 1 1 9  14 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  14 41 o 48.73613 6.855265 30.61220       6.458955      31.76698       9.755382      29.45742       8.465999      48.97493 10.28649 48.49733 9.064592 0.4776039      13.71053 
1 1 1 9  14 42 o 22.53880 6.902122 4.974040       5.764672      7.240376       8.579351      2.709120       7.700871      24.25021 10.25542 20.82740 9.240314 3.422812       13.80424 
1 1 1 9  14 43 o 23.33974 6.699586 6.488710       5.562055      -1.721538      7.948828      14.70037       7.785885      17.67378 8.372611 29.00571 10.46122 -11.33193      13.39917 
1 1 1 9  15 0  o 129.6772 3.115280 168.4698       8.069265      168.4698       8.069265      168.4698       8.069265      129.6772 3.115280 129.6772 3.115280 0.000000       0.000000 
1 1 1 9  15 1  o 435.8703 3.446787 1900.776       30.04544      1895.109       42.42209      1906.444       42.56378      435.2205 4.873632 436.5201 4.875353 -1.299561      6.893574 
1 1 1 9  15 2  o 522.8126 4.017794 2735.332       42.02536      2662.362       57.93718      2809.011       60.89851      515.8090 5.616148 529.8162 5.747136 -14.00726      8.035588 
1 1 1 9  15 3  o 211.2132 2.270976 446.2538       9.592437      450.0086       13.73688      442.4282       13.39682      212.1099 3.238152 210.3165 3.184919 1.793335       4.541953 
1 1 1 9  15 4  o 120.9806 2.300538 146.3661       5.565597      145.0909       7.941744      147.7122       7.800055      120.4386 3.297009 121.5225 3.209304 -1.083885      4.601076 
1 1 1 9  15 5  o 177.9286 2.201117 316.6779       7.835476      312.2856       11.06602      321.0703       11.08727      176.6944 3.131401 179.1629 3.094187 -2.468536      4.402234 
1 1 1 9  15 6  o 392.1563 3.192892 1538.757       25.04377      1553.635       35.74139      1523.880       35.08961      394.0511 4.535121 390.2614 4.495656 3.789764       6.385785 
1 1 1 9  15 7  o 161.4196 2.267226 260.7103       7.318307      254.5467       10.28672      266.8029       10.41424      159.5217 3.224239 163.3175 3.188343 -3.795822      4.534451 
1 1 1 9  15 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 9  o 781.4889 6.273940 6119.607       98.04973      6108.980       128.2298      6130.942       148.4207      780.9044 8.210338 782.0734 9.488921 -1.169006      12.54788 
1 1 1 9  15 10 o 379.1957 3.428530 1438.866       25.97893      1462.953       34.73539      1414.778       38.63188      382.3840 4.541951 376.0075 5.137115 6.376526       6.857060 
1 1 1 9  15 11 o 193.3052 3.004536 374.0626       11.63986      391.5613       17.49876      356.5638       15.35923      197.8250 4.422788 188.7853 4.067910 9.039703       6.009072 
1 1 1 9  15 12 o 267.3079 3.116794 714.8279       16.65570      696.9749       23.66937      733.2476       23.44267      263.9147 4.484285 270.7012 4.329990 -6.786469      6.233589 
1 1 1 9  15 13 o 254.7073 2.965515 649.2961       15.11128      662.8983       22.10369      635.6229       20.62303      257.3785 4.294005 252.0360 4.091287 5.342545       5.931030 
1 1 1 9  15 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 15 o 482.9999 4.104573 2337.182       39.72289      2387.483       61.24565      2286.174       50.60471      488.1719 6.272960 477.8278 5.295287 10.34412       8.209146 
1 1 1 9  15 16 o 127.8397 2.587409 163.5815       6.607021      160.8894       10.12378      166.2028       8.487252      126.7935 3.992231 128.8860 3.292543 -2.092506      5.174819 
1 1 1 9  15 17 o 330.0568 2.836414 1091.016       18.73146      1125.730       27.15496      1055.593       25.80890      335.3615 4.048609 324.7521 3.973631 10.60947       5.672828 
1 1 1 9  15 18 o 248.8942 2.430510 620.3912       12.10744      594.3202       16.61319      646.3914       17.61211      243.6710 3.408940 254.1175 3.465349 -10.44646      4.861020 
1 1 1 9  15 19 o 340.4680 2.896304 1161.152       19.72330      1178.155       28.23180      1144.150       27.55169      342.9582 4.115926 337.9778 4.075961 4.980316       5.792608 
1 1 1 9  15 20 o 318.1953 2.774385 1014.503       17.66879      1052.051       25.72388      976.9550       24.22197      324.0796 3.968760 312.3109 3.877861 11.76868       5.548771 
1 1 1 9  15 21 o 135.4304 3.067651 183.8432       8.331393      186.3228       14.20446      181.3637       8.713958      136.2752 5.211682 134.5856 3.237329 1.689621       6.135302 
1 1 1 9  15 22 o 166.3957 2.898633 277.5714       9.727042      285.5769       17.36415      269.5659       8.756464      168.6863 5.146878 164.1051 2.667944 4.581146       5.797265 
1 1 1 9  15 23 o 124.5552 3.108257 155.6469       7.778800      158.4098       13.70146      152.8839       7.360813      125.5542 5.456391 123.5562 2.978731 1.998024       6.216514 
1 1 1 9  15 24 o 197.2200 2.765986 0.000000       0.000000      ?              ?             389.5776       10.91016      ?        ?        197.2200 2.765986 ?              ?        
1 1 1 9  15 25 o 220.3737 2.414547 486.9897       10.66220      492.5865       17.25080      481.3930       12.52543      221.5501 3.893206 219.1973 2.857113 2.352783       4.829094 
1 1 1 9  15 26 f 193.7096 2.323884 376.4004       8.954830      362.8690       14.17612      389.9318       10.95267      190.1491 3.727632 197.2700 2.776059 -7.120865      4.647768 
1 1 1 9  15 27 o 114.6810 2.431586 131.9846       5.578349      133.0472       8.487252      130.9219       7.247461      115.1125 3.686504 114.2494 3.171772 0.8630676      4.863172 
1 1 1 9  15 28 o 137.1304 2.372488 188.8024       6.526258      195.6744       10.09544      181.9304       8.274716      139.5863 3.616200 134.6745 3.072118 4.911850       4.744977 
1 1 1 9  15 29 o 95.95957 2.689611 92.59465       5.161780      95.71184       7.467082      89.40662       7.134109      97.59155 3.825680 94.32759 3.781561 3.263962       5.379222 
1 1 1 9  15 30 o 80.47566 2.946622 65.21299       4.742376      63.85985       6.652362      66.56612       6.761464      79.63942 4.176551 81.31190 4.157733 -1.672485      5.893244 
1 1 1 9  15 31 o 90.73341 2.896050 83.03055       5.266631      86.99788       7.934660      79.06322       6.930784      92.87082 4.271880 88.59602 3.911454 4.274803       5.792101 
1 1 1 9  15 32 f 162.2240 2.653413 265.1735       8.600604      263.9691       13.82190      266.4487       10.23713      161.6586 4.275027 162.7893 3.144287 -1.130768      5.306825 
1 1 1 9  15 33 f 45.12345 5.338765 22.39416       4.373981      32.43292       5.829850      12.36248       6.522007      56.50212 5.158966 33.74478 9.348514 22.75734       10.67753 
1 1 1 9  15 34 o 137.0303 2.355342 189.5109       6.529800      203.8924       10.75430      175.2001       7.403321      142.0671 3.784937 131.9936 2.804425 10.07352       4.710684 
1 1 1 9  15 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 36 o 78.49962 4.718143 65.07838       7.877984      77.15040       15.22463      53.02761       4.055887      84.46288 9.012614 72.53636 2.795761 11.92652       9.436287 
1 1 1 9  15 37 o 31.86108 6.680588 8.827310       6.587184      5.869523       12.80881      11.78155       3.071139      29.83307 12.56939 33.88910 4.531160 -4.056026      13.36118 
1 1 1 9  15 38 o 40.71524 6.840905 17.37124       6.886151      8.232210       12.83006      26.50318       4.998127      30.82899 12.75935 50.60149 4.938716 -19.77249      13.68181 
1 1 1 9  15 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  15 40 o 30.60194 6.404906 11.82406       4.820306      13.72979       8.976085      9.911241       3.508962      31.57928 11.24792 29.62460 6.129893 1.954685       12.80981 
1 1 1 9  15 41 o 16.78589 5.806241 -2.615604      6.172740      -4.004169      11.98701      -1.226330      2.955661      21.43326 10.21409 12.13853 5.524689 9.294730       11.61248 
1 1 1 9  15 42 o 31.74393 8.005586 16.75488       7.268716      13.48184       11.96575      20.03502       8.246379      27.64157 11.91285 35.84630 10.69774 -8.204733      16.01117 
1 1 1 9  16 0  o 390.9594 4.540648 1529.547       35.49343      1529.547       35.49343      1529.547       35.49343      390.9594 4.540648 390.9594 4.540648 -0.000000      0.000000 
1 1 1 9  16 1  o 271.5145 2.558135 737.4984       13.89274      728.2885       19.53202      746.7082       19.75872      269.8190 3.619466 273.2099 3.616033 -3.390900      5.116271 
1 1 1 9  16 2  o 266.1130 2.535180 708.3101       13.49601      718.3701       19.27697      698.5334       18.88733      267.9755 3.596779 264.2504 3.573755 3.725128       5.070359 
1 1 1 9  16 3  o 416.6938 3.370061 1737.832       28.08303      1725.080       39.48910      1749.876       39.94960      415.2077 4.755343 418.1799 4.776605 -2.972198      6.740122 
1 1 1 9  16 4  o 585.2941 4.467749 3429.615       52.29082      3404.111       73.46645      3455.119       74.45828      583.1198 6.299430 587.4684 6.337215 -4.348633      8.935498 
1 1 1 9  16 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 6  o 144.1270 2.543594 207.9306       7.332476      218.4157       10.59844      197.4455       10.13795      147.7634 3.586288 140.4907 3.608049 7.272675       5.087187 
1 1 1 9  16 7  f 405.0282 3.348389 1641.483       27.11953      1623.771       38.10762      1659.194       38.61062      402.8433 4.729832 407.2131 4.740838 -4.369751      6.696779 
1 1 1 9  16 8  o 509.7557 4.003339 2600.727       40.81391      2626.231       58.31266      2575.222       57.12955      512.2531 5.691783 507.2585 5.631207 4.994598       8.006679 
1 1 1 9  16 9  o 288.1312 2.815750 830.3055       16.22355      812.5942       22.73422      848.7253       23.15929      284.9975 3.988495 291.2650 3.975639 -6.267548      5.631500 
1 1 1 9  16 10 f 536.4427 4.176362 2881.273       44.80958      2879.857       63.39226      2881.982       63.34267      536.3434 5.909671 536.5420 5.902863 -0.1986084     8.352724 
1 1 1 9  16 11 o 521.1470 4.388853 2719.746       45.75182      2714.079       59.86417      2725.414       69.20157      520.6557 5.748922 521.6382 6.633101 -0.9824829     8.777706 
1 1 1 9  16 12 o 479.2631 4.082475 2299.635       39.12779      2301.052       51.33442      2298.926       59.07071      479.4185 5.353822 479.1077 6.164659 0.3107300      8.164950 
1 1 1 9  16 13 o 249.1624 2.702680 621.3122       13.45350      636.2605       18.11511      606.3639       19.88624      252.1696 3.591851 246.1551 4.039372 6.014496       5.405360 
1 1 1 9  16 14 o 486.4456 4.692201 2371.188       45.65972      2370.480       52.52462      2371.897       74.67081      486.5428 5.397738 486.3484 7.676681 0.1944580      9.384402 
1 1 1 9  16 15 o 158.0069 2.671468 250.0835       8.458915      265.7403       12.58919      234.4267       11.29981      162.9553 3.862772 153.0585 3.691337 9.896866       5.342937 
1 1 1 9  16 16 o 139.2474 2.728645 194.1158       7.587519      188.3065       11.03768      199.9251       10.42133      137.1578 4.023715 141.3369 3.686696 -4.179092      5.457290 
1 1 1 9  16 17 o 305.5748 2.969460 935.1564       18.15053      937.2817       27.69338      933.0310       23.47101      305.8851 4.526762 305.2644 3.844373 0.6206665      5.938920 
1 1 1 9  16 18 o 171.4474 2.476089 294.5742       8.536844      311.3646       13.33306      277.7131       10.65512      176.3313 3.780684 166.5635 3.198515 9.767868       4.952178 
1 1 1 9  16 19 f 181.6526 2.472561 330.4928       8.961915      319.9368       13.46767      341.0487       11.82406      178.7318 3.767564 184.5735 3.203076 -5.841736      4.945123 
1 1 1 9  16 20 o 92.89027 2.869904 86.64365       5.363688      93.79901       8.310139      79.41744       6.780592      96.74207 4.294998 89.03847 3.807675 7.703606       5.739808 
1 1 1 9  16 21 o 126.5935 2.421327 160.5352       6.135900      164.3608       9.082352      156.7095       8.253463      128.0950 3.545164 125.0921 3.298955 3.002861       4.842653 
1 1 1 9  16 22 o 117.9362 2.144404 139.4233       5.073932      146.6495       7.707955      132.1263       6.598520      121.0014 3.185067 114.8709 2.872145 6.130524       4.288808 
1 1 1 9  16 23 f 248.2184 3.174343 618.6201       15.79139      626.2714       26.77948      611.0397       16.75488      249.5309 5.365963 246.9058 3.392971 2.625137       6.348686 
1 1 1 9  16 24 o 240.2250 4.041462 581.7098       19.04318      553.3716       34.98335      610.0479       15.06877      233.7252 7.483863 246.7247 3.053761 -12.99953      8.082924 
1 1 1 9  16 25 f 132.4529 3.224302 176.3336       8.522675      175.7669       15.38049      176.9004       7.353730      132.0270 5.824752 132.8788 2.767083 -0.8517761     6.448603 
1 1 1 9  16 26 o 67.71874 4.728738 46.53112       6.529091      49.75457       11.90199      43.31474       5.370065      69.78659 8.527419 65.65089 4.089864 4.135696       9.457477 
1 1 1 9  16 27 o 119.9939 2.514981 144.5242       6.054429      148.4207       9.620775      140.6985       7.353730      121.5426 3.957777 118.4452 3.104274 3.097404       5.029962 
1 1 1 9  16 28 f 41.54365 4.693519 17.55543       3.925531      19.00068       6.133067      16.11019       4.900361      43.21166 7.096542 39.87564 6.144555 3.336018       9.387037 
1 1 1 9  16 29 o 43.13425 5.186739 19.32656       4.342809      17.41375       6.299554      21.24647       5.978625      40.55545 8.052740 45.71305 6.539298 -5.157597      10.37348 
1 1 1 9  16 30 o 161.0854 2.706999 261.0645       8.713958      258.8683       13.82898      263.2607       10.59135      160.2765 4.314101 161.8943 3.271071 -1.617813      5.413998 
1 1 1 9  16 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 32 o 38.69086 5.079813 15.86932       3.797301      16.81865       5.744127      14.91999       4.966955      39.79611 7.491816 37.58560 6.862265 2.210506       10.15963 
1 1 1 9  16 33 o 87.39381 2.605497 77.22124       4.582266      84.51830       7.098687      69.97379       5.795844      91.47401 3.880166 83.31362 3.478329 8.160393       5.210994 
1 1 1 9  16 34 o 48.70336 3.749810 24.27864       3.652777      25.78056       5.289301      22.76964       5.039217      50.22248 5.265871 47.18425 5.339936 3.038227       7.499620 
1 1 1 9  16 35 o 164.2407 2.318393 272.6831       7.644195      280.5469       12.25622      264.8193       9.131943      166.3832 3.683129 162.0981 2.816796 4.285126       4.636785 
1 1 1 9  16 36 o 40.58410 4.053998 17.10203       3.286508      16.69821       4.813930      17.49876       4.475290      40.03491 6.012165 41.13329 5.439986 -1.098377      8.107995 
1 1 1 9  16 37 o 87.89240 6.011920 85.65182       10.36465      89.97337       20.25464      81.33026       4.381066      86.01706 11.77362 89.76772 2.440223 -3.750664      12.02384 
1 1 1 9  16 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  16 39 o 50.29519 14.35815 0.000000       0.000000      ?              ?             38.90817       15.16087      ?        ?        50.29519 14.35815 ?              ?        
1 1 1 9  16 40 o 25.17402 7.156100 6.981792       7.003046      8.076350       13.48892      5.887234       3.769672      27.81456 12.29882 22.53349 7.319698 5.281069       14.31220 
1 1 1 9  16 41 o 20.28719 5.487370 0.7197870      4.646027      -4.630441      8.699788      6.069307       3.273756      18.12885 8.654346 22.44553 6.748867 -4.316677      10.97474 
1 1 1 9  16 42 o 21.32930 6.796112 2.979040       6.566639      7.920490       8.161365      -1.963828      10.28672      23.32838 9.939357 19.33021 9.271340 3.998175       13.59222 
1 1 1 9  17 0  o 397.7768 4.701608 1583.390       37.39209      1583.390       37.39209      1583.390       37.39209      397.7768 4.701608 397.7768 4.701608 -0.000000      0.000000 
1 1 1 9  17 1  o 175.5370 2.514754 308.3891       8.834394      320.4327       12.78047      296.2745       12.19245      178.9762 3.570438 172.0978 3.542305 6.878464       5.029508 
1 1 1 9  17 2  o 306.2589 2.835092 938.6987       17.36415      942.2409       24.68954      934.4479       24.42742      306.8943 4.022483 305.6234 3.996326 1.270905       5.670184 
1 1 1 9  17 3  o 440.7564 3.581018 1943.992       31.56861      1960.995       45.04336      1926.989       44.24281      442.6826 5.087547 438.8302 5.040995 3.852356       7.162036 
1 1 1 9  17 4  o 48.91254 6.121801 24.61870       5.813555      29.30157       8.366816      19.92875       8.069265      54.08926 7.734267 43.73582 9.491413 10.35344       12.24360 
1 1 1 9  17 5  o 420.5886 3.481513 1769.713       29.28740      1764.045       41.40192      1776.089       41.43026      419.8728 4.930294 421.3044 4.916903 -1.431580      6.963026 
1 1 1 9  17 6  o 306.5883 3.143917 940.8240       19.27697      942.9493       25.55386      937.9902       28.86232      307.0026 4.161830 306.1739 4.713388 0.8287048      6.287834 
1 1 1 9  17 7  o 150.3752 2.940765 226.2795       8.841478      227.2005       12.61753      225.2877       12.39791      150.6925 4.186513 150.0579 4.131042 0.6346588      5.881530 
1 1 1 9  17 8  o 390.5839 3.309627 1526.714       25.85849      1543.008       36.90326      1510.419       36.22314      392.6672 4.699050 388.5007 4.661915 4.166504       6.619254 
1 1 1 9  17 9  o 284.5446 2.749060 810.4688       15.64970      816.1365       22.26664      804.0928       21.98326      285.6017 3.898198 283.4874 3.877291 2.114288       5.498121 
1 1 1 9  17 10 o 263.1714 2.631611 693.0075       13.85023      691.0239       19.56035      694.9203       19.61703      262.8015 3.721508 263.5413 3.721813 -0.7398376     5.263223 
1 1 1 9  17 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  17 12 o 194.2982 2.367517 377.7465       9.202788      370.8036       12.90799      384.6893       13.11344      192.5123 3.352510 196.0840 3.343832 -3.571686      4.735033 
1 1 1 9  17 13 o 240.5895 2.963918 579.5135       14.19737      560.0311       22.54293      598.9251       17.25080      236.5219 4.765506 244.6571 3.525506 -8.135147      5.927836 
1 1 1 9  17 14 o 347.3474 3.236584 1207.910       22.51460      1188.074       28.87649      1227.747       34.55119      344.5259 4.190758 350.1689 4.933504 -5.643005      6.473169 
1 1 1 9  17 15 o 219.4795 3.003911 482.3140       13.20554      476.4338       16.58486      488.1942       20.54510      218.1680 3.800937 220.7910 4.652613 -2.623001      6.007823 
1 1 1 9  17 16 o 349.1497 3.221578 1221.371       22.51460      1207.910       29.19530      1234.832       34.28198      347.2740 4.203496 351.0253 4.883121 -3.751251      6.443155 
1 1 1 9  17 17 o 278.6368 3.033367 777.8801       16.91074      792.7576       24.51243      763.0026       23.30098      281.2936 4.357090 275.9801 4.221497 5.313507       6.066735 
1 1 1 9  17 18 o 95.41429 2.881254 91.24860       5.489793      93.16142       7.197870      89.26492       8.288886      96.44725 3.731506 94.38134 4.391168 2.065910       5.762507 
1 1 1 9  17 19 o 113.0307 2.874833 128.0172       6.498628      127.3796       9.344479      128.6548       9.032760      112.7448 4.144083 113.3166 3.985629 -0.5718079     5.749667 
1 1 1 9  17 20 o 226.2212 2.629987 512.7774       11.90907      520.1453       18.20721      505.3387       15.36632      227.8220 3.995930 224.6204 3.420509 3.201584       5.259975 
1 1 1 9  17 21 o 75.04268 3.655194 56.55571       5.467123      55.45052       8.791886      57.66089       6.505004      74.26041 5.919633 75.82495 4.289488 -1.564545      7.310388 
1 1 1 9  17 22 o 57.01687 4.320660 32.75172       4.926574      32.27706       6.989584      33.22639       6.944245      56.59925 6.174627 57.43449 6.045362 -0.8352356     8.641320 
1 1 1 9  17 23 o 133.7594 2.706458 179.6634       7.247461      189.8651       10.58427      169.4617       9.897071      137.5577 3.847210 129.9610 3.807707 7.596680       5.412916 
1 1 1 9  17 24 o 90.23440 3.996514 82.39294       7.233293      93.01972       10.95267      71.76617       9.457831      96.07199 5.700238 84.39680 5.603193 11.67519       7.993028 
1 1 1 9  17 25 o 41.18342 5.652711 18.08677       4.435616      9.996255       7.098687      26.18438       5.318347      31.39836 10.02958 50.96848 5.217291 -19.57011      11.30542 
1 1 1 9  17 26 o 104.9753 5.366026 112.0771       11.11561      110.0934       21.25355      113.9899       6.542552      103.3319 10.28412 106.6187 3.068202 -3.286766      10.73205 
1 1 1 9  17 27 o 60.16819 7.407267 39.22697       9.500339      50.27882       18.34890      28.16804       4.934367      67.46937 14.06029 52.86701 4.666773 14.60236       14.81453 
1 1 1 9  17 28 o 37.84808 7.162005 13.30472       6.692744      8.756464       12.38374      17.85299       5.083850      33.72503 12.98067 41.97112 6.056366 -8.246094      14.32401 
1 1 1 9  17 29 o 112.4625 2.587580 127.3088       5.776716      119.0199       8.905238      135.5268       7.353730      108.7379 4.094820 116.1871 3.164606 -7.449265      5.175160 
1 1 1 9  17 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  17 31 o 76.43749 3.268314 59.12739       5.002378      61.21024       7.374983      57.03745       6.758630      77.76358 4.741926 75.11140 4.499071 2.652176       6.536628 
1 1 1 9  17 32 o 130.5079 2.543741 171.7287       6.647403      175.4835       10.01751      167.9739       8.742295      131.8745 3.798121 129.1413 3.384780 2.733261       5.087481 
1 1 1 9  17 33 o 84.62192 3.002063 72.75800       5.107938      79.62997       7.863815      65.82225       6.522716      88.59638 4.438000 80.64746 4.043968 7.948921       6.004126 
1 1 1 9  17 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  17 35 o 37.03793 4.893021 14.70746       3.554303      16.75488       5.220581      12.65295       4.824557      40.04297 6.518724 34.03289 7.298825 6.010082       9.786042 
1 1 1 9  17 36 o 58.57405 3.279417 35.52885       3.834141      41.51527       5.700203      29.54952       5.129191      63.59397 4.481717 53.55414 4.788791 10.03983       6.558834 
1 1 1 9  17 37 o 87.10228 2.553792 77.36294       4.457579      81.96787       6.638193      72.75800       5.950287      89.65626 3.702025 84.54829 3.518869 5.107964       5.107585 
1 1 1 9  17 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  17 39 o 64.57658 4.944643 46.84283       6.254212      46.43901       10.91016      47.25373       6.121023      62.20759 8.769153 66.94556 4.571642 -4.737972      9.889285 
1 1 1 9  17 40 o 61.57507 5.077476 44.03736       6.147944      44.32783       10.52759      43.73981       6.349853      59.51212 8.844915 63.63802 4.989041 -4.125896      10.15495 
1 1 1 9  17 41 o 33.49464 6.147666 15.30964       4.835184      16.95325       9.039845      13.66603       3.438825      31.70654 11.28835 35.28275 4.873239 -3.576208      12.29533 
1 1 1 9  18 0  o 222.0409 3.877670 493.5784       17.20829      493.5784       17.20829      493.5784       17.20829      222.0409 3.877670 222.0409 3.877670 0.000000       0.000000 
1 1 1 9  18 1  o 242.8601 2.781758 590.5654       13.51726      557.6933       18.49059      623.3667       19.73038      236.1032 3.915786 249.6171 3.952130 -13.51382      5.563516 
1 1 1 9  18 2  o 136.5378 3.152965 186.5353       8.614774      185.8269       12.32706      187.2438       12.02243      136.2773 4.522785 136.7982 4.394219 -0.5208588     6.305930 
1 1 1 9  18 3  o 356.1462 3.189797 1268.837       22.72005      1270.254       32.22747      1268.129       32.03619      356.2948 4.522585 355.9977 4.499494 0.2970886      6.379594 
1 1 1 9  18 4  o 86.46165 3.978700 74.88335       6.883317      78.77983       10.01042      70.98687       9.450747      88.71240 5.642066 84.21089 5.611357 4.501511       7.957401 
1 1 1 9  18 5  f 421.5017 3.506291 1778.214       29.55661      1754.835       41.39484      1801.593       42.20956      418.7319 4.942881 424.2715 4.974357 -5.539612      7.012581 
1 1 1 9  18 6  o 116.1939 2.998131 135.2434       6.961247      126.3878       9.734127      144.0991       9.953747      112.3840 4.330745 120.0037 4.147265 -7.619751      5.996263 
1 1 1 9  18 7  o 286.5235 2.777725 821.8041       15.91891      826.0548       22.60670      816.8449       22.41541      287.3264 3.933975 285.7206 3.922611 1.605713       5.555451 
1 1 1 9  18 8  o 178.1271 2.674213 317.7406       9.493254      336.0187       12.91508      299.4626       13.92108      183.2616 3.523672 172.9926 4.023604 10.26900       5.348425 
1 1 1 9  18 9  o 215.9446 2.529222 466.5863       10.92433      468.8534       15.42300      464.3193       15.47259      216.4697 3.562391 215.4195 3.591269 1.050232       5.058443 
1 1 1 9  18 10 o 435.7670 3.804078 1901.485       33.14846      1904.318       43.52020      1898.651       50.01670      436.1327 4.989329 435.4014 5.743746 0.7313538      7.608155 
1 1 1 9  18 11 o 116.1188 2.979818 134.9601       6.932909      137.3688       10.75430      132.5513       8.749379      117.1460 4.590127 115.0916 3.801052 2.054436       5.959636 
1 1 1 9  18 12 o 176.4113 2.390966 311.3646       8.437660      307.6097       11.76738      315.1902       12.09327      175.3384 3.355620 177.4842 3.406859 -2.145737      4.781932 
1 1 1 9  18 13 f 270.3423 2.628937 731.1223       14.21154      740.3321       20.30423      722.6208       19.90041      271.9779 3.732698 268.7067 3.702999 3.271271       5.257874 
1 1 1 9  18 14 o 144.3858 2.426037 208.6391       7.004463      206.0178       9.819141      211.3312       9.996255      143.4670 3.422090 145.3046 3.439757 -1.837601      4.852075 
1 1 1 9  18 15 o 43.37437 5.358787 19.63828       4.466789      14.02734       6.156446      25.24922       6.474541      36.59954 8.555452 50.14920 6.455278 -13.54967      10.71757 
1 1 1 9  18 16 o 31.15367 6.076034 9.882903       4.215996      4.188367       5.714372      15.57885       6.201078      23.71259 8.901381 38.59475 8.272734 -14.88216      12.15207 
1 1 1 9  18 17 o 313.5790 2.823228 985.4564       17.70421      996.7917       25.19254      973.4128       24.88791      315.4395 3.993245 311.7185 3.992049 3.720978       5.646455 
1 1 1 9  18 18 o 127.1033 2.450524 161.8104       6.232958      158.4807       8.529759      165.1401       9.089437      125.7995 3.390221 128.4071 3.539304 -2.607674      4.901048 
1 1 1 9  18 19 o 149.3250 2.761987 223.4457       8.239295      224.7209       9.727042      222.1705       13.30472      149.7991 3.246696 148.8509 4.469145 0.9482269      5.523974 
1 1 1 9  18 20 o 70.84215 3.957153 50.89518       5.453662      60.58679       7.127024      41.20356       8.253463      77.70690 4.585838 63.97740 6.450296 13.72950       7.914305 
1 1 1 9  18 21 o 187.6430 2.920300 353.3049       10.96683      349.8335       13.78647      356.7763       17.06660      186.7852 3.690463 188.5009 4.526930 -1.715714      5.840600 
1 1 1 9  18 22 o 101.6788 3.240326 104.0716       6.658030      94.57832       7.927575      113.6357       10.69762      97.06590 4.083605 106.2917 5.032198 -9.225838      6.480652 
1 1 1 9  18 23 o 167.6912 2.841620 282.3181       9.500339      276.2253       15.16087      288.4107       11.44858      165.7866 4.572404 169.5959 3.375254 -3.809265      5.683240 
1 1 1 9  18 24 o 183.0618 2.878357 336.8688       10.59844      350.8253       17.27205      322.9123       12.29872      186.7292 4.624893 179.3944 3.427845 7.334824       5.756713 
1 1 1 9  18 25 o 123.8657 3.071718 154.3008       7.622942      160.2518       11.38482      148.4207       10.13795      126.2138 4.510134 121.5176 4.171390 4.696175       6.143436 
1 1 1 9  18 26 o 120.3742 2.748785 145.7285       6.632525      151.1128       10.09544      140.3443       8.607689      122.5593 4.118593 118.1890 3.641493 4.370293       5.497570 
1 1 1 9  18 27 o 46.25623 5.481776 22.95384       4.751586      14.49492       6.723207      31.40567       6.716123      36.82321 9.156341 55.68925 6.029999 -18.86604      10.96355 
1 1 1 9  18 28 o 164.2106 3.355872 272.0455       11.05185      275.8003       19.72330      268.2907       9.967916      164.9223 5.979571 163.4988 3.048316 1.423584       6.711743 
1 1 1 9  18 29 o 59.19796 8.061792 37.81715       9.160281      31.85199       16.90366      43.78232       7.069641      52.69269 15.19953 65.70323 5.379979 -13.01054      16.12358 
1 1 1 9  18 30 o 78.64230 6.657411 66.27567       11.42024      83.66816       21.89824      48.88317       6.476666      87.78281 12.47297 69.50178 4.659353 18.28104       13.31482 
1 1 1 9  18 31 o 61.13092 3.811731 38.02969       4.675782      39.43243       7.318307      36.61987       5.822765      62.16248 5.886434 60.09935 4.844283 2.063129       7.623463 
1 1 1 9  18 32 o 42.35944 5.531586 19.30531       4.537633      21.53693       6.913073      17.06660       5.880150      44.80986 8.002095 39.90901 7.639386 4.900856       11.06317 
1 1 1 9  18 33 o 59.01921 4.307624 35.96810       5.084558      35.88308       7.169532      36.05311       7.212039      58.95287 6.080732 59.08555 6.103048 -0.1326790     8.615249 
1 1 1 9  18 34 o 97.44332 2.845807 96.42028       5.546469      96.27859       7.722124      96.56198       7.962997      97.39375 3.964384 97.49289 4.083887 -0.9913635E-01 5.691614 
1 1 1 9  18 35 o 39.70278 5.026524 17.71129       3.766838      25.66012       5.369356      9.762465       5.284342      49.82094 5.388654 29.58461 8.486823 20.23633       10.05305 
1 1 1 9  18 36 o 71.19016 2.879750 52.29082       4.118939      60.16881       6.308763      44.41284       5.297802      76.56271 4.119997 65.81761 4.024609 10.74510       5.759501 
1 1 1 9  18 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  18 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  18 39 o 46.45448 6.262681 26.45359       5.533717      24.53369       10.46383      28.37349       3.613104      40.53548 12.04104 52.37349 3.449364 -11.83801      12.52536 
1 1 1 9  18 40 o 53.07294 5.519376 34.27490       5.412572      34.59370       9.889987      33.96318       4.395943      49.44999 10.33560 56.69589 3.876775 -7.245895      11.03875 
1 1 1 9  18 41 o 23.31763 5.494607 4.515672       4.715455      -0.5258129     8.749379      9.557014       3.528090      18.87290 8.884034 27.76236 6.468135 -8.889467      10.98921 
1 1 1 9  19 0  o 106.6808 5.054709 114.6275       10.73304      114.6275       10.73304      114.6275       10.73304      106.6808 5.054709 106.6808 5.054709 -0.000000      0.000000 
1 1 1 9  19 1  o 612.1273 4.707688 3753.377       57.63256      3778.882       82.03871      3727.874       80.97604      614.2037 6.678461 610.0508 6.636827 4.152893       9.415377 
1 1 1 9  19 2  f 411.0818 3.438323 1691.074       28.26723      1696.742       40.11962      1686.115       39.83624      411.7267 4.872118 410.4368 4.852908 1.289886       6.876645 
1 1 1 9  19 3  o 251.6992 2.674932 633.9226       13.46767      637.6066       19.09986      630.1679       18.98651      252.4376 3.783085 250.9607 3.782765 1.476868       5.349864 
1 1 1 9  19 4  o 19.23360 6.122886 -4.799760      5.107229      -9.386987      7.042011      -0.2123230     7.396237      16.30907 7.785768 22.15814 9.452024 -5.849073      12.24577 
1 1 1 9  19 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  19 6  o 43.81498 6.152078 19.93583       5.200036      19.69496       7.353730      20.17671       7.353730      43.53555 8.753510 44.09440 8.646866 -0.5588531     12.30416 
1 1 1 9  19 7  o 149.6138 2.536782 224.0125       7.587519      232.0888       10.83931      216.0069       10.62678      152.3002 3.558536 146.9274 3.616335 5.372711       5.073565 
1 1 1 9  19 8  o 334.0975 2.965728 1117.229       19.82248      1096.683       27.58003      1137.774       28.47268      331.0272 4.165825 337.1678 4.222330 -6.140656      5.931456 
1 1 1 9  19 9  o 427.4302 3.492753 1829.223       29.86124      1798.759       41.54361      1859.686       42.91093      423.8747 4.900460 430.9857 4.978231 -7.110992      6.985506 
1 1 1 9  19 10 o 264.8925 2.825359 702.5008       14.99793      684.9312       19.36199      719.7870       22.90425      261.6208 3.700391 268.1642 4.270565 -6.543335      5.650718 
1 1 1 9  19 11 o 101.7046 2.883638 103.5757       5.867398      99.67917       8.090520      107.4721       8.501422      99.79145 4.053714 103.6177 4.102301 -3.826279      5.767276 
1 1 1 9  19 12 o 88.66501 4.218792 79.70082       7.105771      62.80425       11.60444      96.63282       8.189702      79.09134 7.336101 98.23868 4.168268 -19.14734      8.437584 
1 1 1 9  19 13 o 294.8209 3.000264 870.6873       17.71838      856.5182       22.71296      884.8563       27.19038      292.4614 3.883071 297.1805 4.574725 -4.719147      6.000529 
1 1 1 9  19 14 o 265.1711 2.622634 704.1302       13.90691      710.5771       19.75164      697.6833       19.58869      266.3852 3.707345 263.9570 3.710584 2.428223       5.245269 
1 1 1 9  19 15 o 103.8292 2.739475 108.2514       5.698077      98.04973       7.601687      118.3823       8.494337      98.94271 3.841459 108.7157 3.906674 -9.773018      5.478951 
1 1 1 9  19 16 o 171.0974 2.696594 293.2990       9.231127      287.9148       12.68129      298.6124       13.41808      169.5425 3.739855 172.6523 3.885866 -3.109802      5.393187 
1 1 1 9  19 17 o 48.54441 5.355582 23.74022       5.200036      23.31515       7.233293      24.16529       7.474166      48.11242 7.517074 48.97641 7.630375 -0.8639832     10.71116 
1 1 1 9  19 18 o 83.29409 3.576229 69.65498       5.955954      68.07513       8.543928      71.19940       8.295970      82.35196 5.187447 84.23622 4.924230 -1.884262      7.152457 
1 1 1 9  19 19 o 90.36166 3.197285 81.96787       5.789468      78.49645       7.672533      85.43929       8.671450      88.45965 4.336742 92.26368 4.699276 -3.804031      6.394570 
1 1 1 9  19 20 o 126.1348 2.773826 159.6142       6.976125      153.8757       10.57010      165.4235       9.103605      123.8168 4.268442 128.4527 3.543563 -4.635849      5.547652 
1 1 1 9  19 21 o 67.95255 3.471832 46.48152       4.701286      49.53495       6.446911      43.42809       6.844352      70.21049 4.591131 65.69459 5.209221 4.515907       6.943664 
1 1 1 9  19 22 o 219.2028 2.979030 482.5265       13.08510      477.0006       15.04043      488.1233       21.40941      218.0929 3.448170 220.3127 4.858869 -2.219833      5.958060 
1 1 1 9  19 23 o 118.6373 2.692778 141.3361       6.393069      140.4860       8.203872      142.1863       9.804973      118.3226 3.466738 118.9519 4.121401 -0.6292953     5.385557 
1 1 1 9  19 24 o 26.15249 6.917017 5.307012       5.026465      5.579058       5.487668      5.034258       8.423491      24.90978 8.802521 27.39520 10.67221 -2.485420      13.83403 
1 1 1 9  19 25 f 54.41849 4.110358 29.96751       4.483083      28.99693       5.828433      30.94518       6.812472      53.57325 5.439685 55.26373 6.163602 -1.690472      8.220716 
1 1 1 9  19 26 f 133.8610 2.829046 180.1593       7.530843      175.1293       12.37665      185.2601       8.586436      131.8426 4.693725 135.8794 3.159579 -4.036865      5.658091 
1 1 1 9  19 27 o 122.8465 3.163275 152.1046       7.764632      150.4752       12.02951      153.7340       9.812057      122.0863 4.926641 123.6068 3.969061 -1.520432      6.326551 
1 1 1 9  19 28 o 81.00018 4.744802 67.49420       7.679617      55.41510       10.15211      79.55913       11.52651      73.65257 6.891895 88.34781 6.523371 -14.69524      9.489604 
1 1 1 9  19 29 o 34.62443 8.057867 12.00117       6.750837      15.18212       8.310139      8.820225       10.64095      37.24553 10.62936 32.00333 12.11337 5.242203       16.11573 
1 1 1 9  19 30 o 44.55850 7.530581 20.53093       7.424574      14.15487       13.38974      26.91408       6.398736      37.79920 13.71024 51.31781 6.234421 -13.51861      15.06116 
1 1 1 9  19 31 o 53.13797 7.085320 30.83891       7.039886      22.10369       12.46875      39.57412       6.543969      43.94537 13.16248 62.33056 5.249406 -18.38519      14.17064 
1 1 1 9  19 32 o 64.71382 3.620839 42.76923       4.696327      44.13654       7.155363      41.39484       6.083476      65.66387 5.448478 63.76377 4.770323 1.900101       7.241678 
1 1 1 9  19 33 o 103.8282 4.600095 113.0689       8.820225      91.46112       15.74888      134.6058       7.955913      92.32338 8.529196 115.3331 3.449103 -23.00970      9.200190 
1 1 1 9  19 34 o 44.64947 4.523049 21.00560       4.045260      24.27864       6.105437      17.72546       5.309846      48.17235 6.337077 41.12659 6.455490 7.045757       9.046099 
1 1 1 9  19 35 o 56.53526 3.674004 33.30432       4.145860      35.90434       5.892194      30.69721       5.833392      58.82645 5.008116 54.24406 5.376987 4.582386       7.348008 
1 1 1 9  19 36 o 45.82507 4.964392 23.09553       4.380357      25.39800       5.842602      20.79306       6.528384      48.86738 5.978019 42.78275 7.927424 6.084625       9.928784 
1 1 1 9  19 37 o 46.16005 4.073928 23.25139       3.703078      28.94734       5.438785      17.55543       5.027174      52.19546 5.210017 40.12464 6.264447 12.07082       8.147857 
1 1 1 9  19 38 o 30.38699 5.066809 10.95267       3.096643      14.46659       4.593602      7.431659       4.154361      35.65311 6.688818 25.12087 7.612484 10.53224       10.13362 
1 1 1 9  19 39 o 34.15216 6.299961 14.99084       5.105103      14.96959       9.472000      15.01209       3.815013      31.15228 11.50638 37.15205 5.134324 -5.999769      12.59992 
1 1 1 9  19 40 o 31.58464 6.057038 15.04043       4.592893      22.69880       8.855647      7.382068       2.446284      37.62832 11.04935 25.54096 4.966155 12.08736       12.11408 
1 1 1 9  20 0  o 102.8798 4.184598 106.4095       8.579351      106.4095       8.579351      106.4095       8.579351      102.8798 4.184598 102.8798 4.184598 0.000000       0.000000 
1 1 1 9  20 1  f 349.6320 3.076210 1223.496       21.50859      1220.662       30.37841      1226.330       30.46342      349.2272 4.349376 350.0369 4.351460 -0.8096313     6.152420 
1 1 1 9  20 2  o 558.9982 4.344113 3129.940       48.56437      3149.068       69.01737      3111.520       68.35143      560.6727 6.154872 557.3237 6.132113 3.348999       8.688226 
1 1 1 9  20 3  o 176.3952 2.787484 311.6479       9.783719      292.1655       14.55160      331.2012       13.09219      170.8561 4.258437 181.9343 3.598054 -11.07820      5.574968 
1 1 1 9  20 4  f 299.9019 2.812507 899.7338       16.86824      894.7746       23.64812      905.4014       24.06610      299.0179 3.954298 300.7857 4.000540 -1.767792      5.625015 
1 1 1 9  20 5  o 230.5304 2.549560 531.8348       11.76030      543.5951       16.78322      520.0745       16.46442      233.0798 3.600317 227.9811 3.610918 5.098694       5.099119 
1 1 1 9  20 6  o 451.6841 3.653837 2042.466       33.00677      2052.385       46.84283      2033.257       46.51694      452.7408 5.173251 450.6274 5.161353 2.113373       7.307673 
1 1 1 9  20 7  o 64.21858 3.964686 41.41609       5.068264      45.62430       7.134109      37.20080       7.204955      67.49831 5.284658 60.93885 5.911627 6.559452       7.929372 
1 1 1 9  20 8  o 229.8772 2.885604 529.0010       13.26930      515.8237       18.25680      542.1782       19.26989      227.0168 4.021025 232.7377 4.139830 -5.720932      5.771207 
1 1 1 9  20 9  o 206.1884 2.492749 425.4961       10.27963      419.2618       14.43116      431.7305       14.64370      204.6777 3.525338 207.6990 3.525222 -3.021240      4.985498 
1 1 1 9  20 10 o 505.9772 4.340685 2567.429       43.88150      2533.424       65.83643      2602.143       58.04346      502.4886 6.551037 509.4659 5.696500 -6.977325      8.681371 
1 1 1 9  20 11 o 95.95492 2.959091 92.24043       5.673990      94.86169       7.970083      89.61916       8.083434      97.32190 4.094702 94.58794 4.272974 2.733963       5.918183 
1 1 1 9  20 12 o 121.4168 3.303356 147.8539       7.984251      139.4942       11.95158      156.2136       10.59135      117.9587 5.066004 124.8749 4.240785 -6.916229      6.606713 
1 1 1 9  20 13 o 132.1570 2.920747 175.2710       7.707955      190.7861       11.07310      159.8267       10.72596      138.0098 4.011709 126.3041 4.246084 11.70565       5.841493 
1 1 1 9  20 14 o 149.2446 3.226772 223.5874       9.535762      240.8028       12.06493      206.3720       14.77122      155.0463 3.890751 143.4429 5.148813 11.60338       6.453544 
1 1 1 9  20 15 o 195.3787 2.788548 382.4223       10.89599      383.1307       15.25297      381.7846       15.56469      195.5547 3.899924 195.2027 3.986801 0.3520050      5.577095 
1 1 1 9  20 16 o 249.6576 2.993974 624.7836       14.94833      629.3177       20.82848      620.2496       21.44484      250.5743 4.156149 248.7408 4.310679 1.833481       5.987948 
1 1 1 9  20 17 o 92.25632 2.934990 85.36844       5.412572      86.43112       7.509589      84.23491       7.800055      92.85592 4.043678 91.65672 4.255037 1.199203       5.869981 
1 1 1 9  20 18 o 196.9219 2.435517 388.7275       9.592437      376.9672       13.17720      400.4170       13.95650      193.9568 3.396942 199.8870 3.491098 -5.930115      4.871035 
1 1 1 9  20 19 f 106.0506 2.697269 112.8564       5.722874      111.0852       7.892153      114.5566       8.288886      105.2402 3.749589 106.8609 3.878354 -1.620628      5.394539 
1 1 1 9  20 20 o 176.6387 2.415489 312.8523       8.536844      307.1847       11.81698      318.5908       12.31998      175.0344 3.375614 178.2430 3.455949 -3.208603      4.830978 
1 1 1 9  20 21 o 44.45551 5.326049 20.84265       4.562429      14.49492       6.066473      27.19038       6.817431      37.03848 8.383605 51.87255 6.571328 -14.83408      10.65210 
1 1 1 9  20 22 o 68.53826 3.737329 47.36000       5.122815      47.26082       7.353730      47.45210       7.134109      68.46005 5.370818 68.61647 5.198540 -0.1564178     7.474658 
1 1 1 9  20 23 o 211.8727 2.622155 450.7170       11.10852      449.2293       16.31564      452.2048       15.08294      211.4881 3.857344 212.2574 3.552983 -0.7693634     5.244310 
1 1 1 9  20 24 o 113.7373 3.063791 130.2843       6.989584      125.7502       8.869816      134.7475       10.80389      111.8325 3.965672 115.6421 4.671262 -3.809624      6.127581 
1 1 1 9  20 25 o 113.5997 3.478384 130.2134       7.977167      123.1289       8.848563      137.2980       13.26930      110.6639 3.997943 116.5354 5.693247 -5.871506      6.956768 
1 1 1 9  20 26 o 150.1212 3.242504 227.2713       9.712874      229.3967       11.43441      225.0751       15.71346      151.0318 3.785432 149.2106 5.265533 1.821259       6.485008 
1 1 1 9  20 27 o 166.9790 2.738491 280.8303       9.124859      295.5661       12.51126      266.0945       13.27639      171.4237 3.649222 162.5343 4.084178 8.889313       5.476982 
1 1 1 9  20 28 o 116.1497 3.623495 136.9437       8.416408      137.2980       13.80064      136.5895       9.627860      115.9996 5.948574 116.2998 4.139242 -0.3002396     7.246989 
1 1 1 9  20 29 o 87.07726 3.669857 77.07955       6.376774      83.73900       9.089437      70.44845       8.947746      90.88285 5.000633 83.27167 5.372623 7.611183       7.339715 
1 1 1 9  20 30 o 20.28894 6.223240 -2.043883      4.969081      2.917404       6.874108      -7.004463      7.176617      23.33005 9.451029 17.24783 8.098947 6.082216       12.44648 
1 1 1 9  20 31 o 67.13278 4.201663 46.44610       5.603145      52.26957       7.863815      40.62263       7.977167      71.48273 5.500499 62.78284 6.352984 8.699898       8.403327 
1 1 1 9  20 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  20 33 f 49.23057 7.056049 27.89175       7.261631      35.14629       13.38265      20.63720       5.635026      53.98439 12.61038 44.47674 6.334801 9.507656       14.11210 
1 1 1 9  20 34 o 19.49193 5.825602 0.9089437      3.979374      -0.5908488     6.048761      2.409445       5.173115      18.83050 8.291797 20.15337 8.185149 -1.322865      11.65120 
1 1 1 9  20 35 o 29.18084 6.211733 9.670367       3.927657      9.280719       5.712955      10.06001       5.391318      28.63816 8.977879 29.72352 8.587212 -1.085358      12.42347 
1 1 1 9  20 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  20 37 o 21.04513 5.332157 2.715496       3.527381      9.783719       5.081016      -4.354853      4.893985      28.18974 8.394063 13.90052 6.577789 14.28921       10.66431 
1 1 1 9  20 38 o 33.64441 4.921391 13.33306       3.206453      13.68729       4.747335      12.98592       4.311637      33.90133 7.216926 33.38749 6.693007 0.5138359      9.842782 
1 1 1 9  20 39 f 54.38692 3.100250 31.90867       3.333974      36.00352       4.584392      27.81382       4.841560      58.26072 3.934376 50.51313 4.792377 7.747589       6.200500 
1 1 1 9  21 0  o 65.30604 5.871714 43.71148       7.552096      43.71148       7.552096      43.71148       7.552096      65.30604 5.871714 65.30604 5.871714 0.000000       0.000000 
1 1 1 9  21 1  o 186.8696 2.511810 349.4793       9.386987      354.1551       13.43933      344.7326       13.11344      188.1286 3.571846 185.6105 3.532516 2.518158       5.023620 
1 1 1 9  21 2  o 47.30320 5.202730 22.44375       4.920906      23.10261       6.975416      21.78489       6.942828      47.99932 7.266162 46.60709 7.448253 1.392227       10.40546 
1 1 1 9  21 3  o 180.7371 2.495229 326.8796       9.018591      324.9668       12.70963      328.7924       12.80172      180.2083 3.526371 181.2658 3.531203 -1.057480      4.990459 
1 1 1 9  21 4  o 242.6540 3.303954 589.9987       15.86932      624.6419       18.60394      555.4262       25.70972      249.8308 3.723308 235.4772 5.459067 14.35359       6.607907 
1 1 1 9  21 5  o 235.9019 2.581199 556.9848       12.17829      556.0638       17.25788      557.8349       17.18704      235.7138 3.660771 236.0900 3.639934 -0.3761749     5.162399 
1 1 1 9  21 6  o 407.2258 3.404134 1660.611       27.72880      1651.401       39.00735      1670.529       39.41117      406.0548 4.803213 408.3968 4.825108 -2.342010      6.808269 
1 1 1 9  21 7  o 165.1481 2.492568 273.1082       8.239295      260.8520       11.36357      285.4352       11.92324      161.4306 3.519645 168.8656 3.530394 -7.435059      4.985136 
1 1 1 9  21 8  o 131.9590 2.978071 174.4208       7.856731      171.3745       10.95975      177.4672       11.27147      130.8077 4.189260 133.1104 4.233880 -2.302689      5.956143 
1 1 1 9  21 9  o 349.6762 3.913975 1226.330       27.36749      1227.039       35.11795      1225.622       41.98994      349.8684 5.018738 349.4840 6.007419 0.3843994      7.827951 
1 1 1 9  21 10 o 109.5429 3.845801 120.3660       8.451830      122.9164       13.78647      117.8155       9.783719      110.6532 6.229587 108.4326 4.511429 2.220596       7.691602 
1 1 1 9  21 11 o 285.4082 3.179261 816.1365       18.15053      792.0491       25.05086      840.9323       26.28356      281.1409 4.455214 289.6756 4.536724 -8.534668      6.358521 
1 1 1 9  21 12 o 143.5516 2.757935 206.5137       7.906322      197.7997       11.39190      215.2276       10.96683      140.5118 4.053718 146.5913 3.740614 -6.079529      5.515870 
1 1 1 9  21 13 f 163.4719 2.478263 267.6531       8.104689      262.5522       11.22188      272.7539       11.69654      161.9168 3.465322 165.0270 3.543825 -3.110245      4.956526 
1 1 1 9  21 14 o 124.2442 2.622795 154.6550       6.520590      151.8921       8.976085      157.4180       9.457831      123.1381 3.644722 125.3503 3.772560 -2.212189      5.245590 
1 1 1 9  21 15 o 43.30328 5.452725 19.22738       4.611313      20.07752       6.337101      18.37724       6.701245      44.64939 7.096514 41.95716 8.280601 2.692230       10.90545 
1 1 1 9  21 16 o 199.4467 2.477834 398.7875       9.882903      416.8530       14.15487      380.7220       13.79356      203.9705 3.469833 194.9229 3.538208 9.047546       4.955669 
1 1 1 9  21 17 o 45.43145 4.963876 20.84265       4.512838      20.21921       6.198245      21.46609       6.560264      44.75768 6.924226 46.10523 7.114447 -1.347553      9.927752 
1 1 1 9  21 18 o 45.32275 5.498337 22.94675       4.577307      36.71906       6.372524      9.174451       6.571599      60.40978 5.274414 30.23571 9.649218 30.17407       10.99667 
1 1 1 9  21 19 o 105.4685 2.815095 111.6520       5.940369      107.6138       8.175533      115.7610       8.621859      103.5477 3.947712 107.3893 4.014302 -3.841522      5.630191 
1 1 1 9  21 20 o 283.7990 2.962805 809.0520       16.80448      795.5914       24.76748      822.5125       22.71296      281.3731 4.401180 286.2249 3.967678 -4.851776      5.925610 
1 1 1 9  21 21 o 128.6380 2.974981 166.3445       7.651280      166.4153       10.03876      166.2736       11.55485      128.7126 3.899680 128.5634 4.493833 0.1492462      5.949961 
1 1 1 9  21 22 o 105.3114 3.352963 111.7937       7.071057      102.5838       9.528677      121.0744       10.44966      100.9540 4.719316 109.6689 4.764189 -8.714859      6.705925 
1 1 1 9  21 23 o 146.7399 2.835680 217.2822       8.430575      192.4155       9.953747      242.1488       13.60227      138.3967 3.596092 155.0830 4.385481 -16.68628      5.671360 
1 1 1 9  21 24 o 49.95834 5.670336 25.90808       5.552845      24.44867       6.281133      27.36749       9.160281      49.10434 6.395701 50.81235 9.365140 -1.708012      11.34067 
1 1 1 9  21 25 f 59.07470 4.661083 35.96101       5.467831      27.79965       7.275800      44.11529       8.168448      52.22761 6.965473 65.92178 6.195561 -13.69417      9.322166 
1 1 1 9  21 26 o 32.99703 7.461746 11.32814       5.616605      8.713958       7.304138      13.93525       8.536844      29.84366 10.18888 36.15039 10.90401 -6.306726      14.92349 
1 1 1 9  21 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  21 28 o 75.58629 3.494868 57.99386       5.265922      62.69090       7.410406      53.28975       7.488335      78.70097 4.707951 72.47162 5.166392 6.229347       6.989736 
1 1 1 9  21 29 o 58.43124 4.741728 35.33049       5.413280      29.64871       8.210957      41.01228       7.054055      53.44807 7.681246 63.41442 5.561870 -9.966343      9.483456 
1 1 1 9  21 30 o 166.2969 2.707380 279.8385       8.961915      262.1272       13.29764      297.4789       12.01534      160.8923 4.132467 171.7015 3.498904 -10.80927      5.414759 
1 1 1 9  21 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  21 32 o 97.28638 3.330936 96.77451       6.481626      91.60282       8.976085      102.0171       9.351563      94.65428 4.741510 99.91848 4.679596 -5.264198      6.661872 
1 1 1 9  21 33 o 27.26927 6.770235 7.148279       4.920197      1.612436       6.546803      12.68837       7.346645      21.30107 8.980963 33.23746 10.13344 -11.93639      13.54047 
1 1 1 9  21 34 o 95.83423 4.401525 98.61649       8.756464      119.4450       15.20337      77.71716       8.692703      105.1666 7.228232 86.50185 5.024577 18.66477       8.803051 
1 1 1 9  21 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  21 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  21 37 o 15.29624 4.899927 -2.094184      3.348852      1.360227       4.876983      -5.548594      4.591476      17.87267 7.651227 12.71981 6.123385 5.152862       9.799853 
1 1 1 9  21 38 o 18.64109 5.331243 3.136316       3.083182      2.938658       4.435616      3.333266       4.283299      18.48802 7.555605 18.79416 7.523392 -0.3061371     10.66249 
1 1 1 9  21 39 o 45.06493 3.563534 22.69171       3.192284      21.70696       4.815347      23.68354       4.193326      43.60769 5.521213 46.52216 4.506805 -2.914474      7.127067 
1 1 1 9  22 0  o 31.44389 12.00151 13.48184       7.078141      13.48184       7.078141      13.48184       7.078141      31.44389 12.00151 31.44389 12.00151 0.000000       0.000000 
1 1 1 9  22 1  o 37.72254 6.651186 14.92708       5.024340      17.17287       7.204955      12.67420       7.002337      40.50239 9.114937 34.94270 9.688706 5.559696       13.30237 
1 1 1 9  22 2  o 185.5109 2.532356 344.5201       9.394071      344.0950       13.36848      344.9452       13.20554      185.3951 3.605404 185.6267 3.557015 -0.2316132     5.064711 
1 1 1 9  22 3  o 78.79735 3.559843 62.42169       5.599603      55.50011       7.715039      69.34325       8.118857      74.40984 5.184154 83.18486 4.880009 -8.775024      7.119687 
1 1 1 9  22 4  o 239.9977 2.826226 576.8923       13.58102      588.0150       20.58052      565.7696       17.73255      242.2888 4.247106 237.7067 3.729922 4.582092       5.652453 
1 1 1 9  22 5  o 55.78357 5.134073 31.43401       5.685325      35.86891       8.026759      26.99201       8.048012      59.76221 6.715580 51.80493 7.767613 7.957283       10.26815 
1 1 1 9  22 6  o 199.0456 2.893546 396.9455       11.51943      386.4604       16.02518      407.3598       16.55652      196.4260 4.079191 201.6652 4.104952 -5.239212      5.787091 
1 1 1 9  22 7  o 43.90693 6.520238 20.21213       5.550012      22.65629       7.913406      17.76797       7.785885      46.66718 8.800541 41.14669 9.623122 5.520485       13.04048 
1 1 1 9  22 8  o 156.2162 2.890780 244.4867       9.032760      239.3858       12.45458      249.5876       13.09219      154.5904 4.028252 157.8421 4.147243 -3.251678      5.781561 
1 1 1 9  22 9  o 90.68895 3.245027 82.81801       5.878733      71.55363       7.948828      94.08241       8.664365      84.48743 4.704148 96.89046 4.471218 -12.40302      6.490054 
1 1 1 9  22 10 o 184.6130 2.514413 341.6863       9.287803      320.3619       12.66003      362.9398       13.60227      178.8569 3.539152 190.3692 3.572604 -11.51227      5.028827 
1 1 1 9  22 11 o 191.8477 2.719568 368.8908       10.46383      382.5640       15.98976      355.1469       13.49601      195.3909 4.091735 188.3044 3.583560 7.086487       5.439136 
1 1 1 9  22 12 o 93.28662 3.334232 87.28126       6.213830      88.55647       7.998421      86.00604       9.507423      93.99326 4.254784 92.57999 5.134707 1.413269       6.668464 
1 1 1 9  22 13 o 177.7320 2.509770 316.5363       8.926493      308.1057       12.36248      324.8960       12.87257      175.3766 3.524553 180.0874 3.573978 -4.710770      5.019541 
1 1 1 9  22 14 o 217.0921 2.545823 472.2540       11.05185      469.6327       15.47259      474.8752       15.79139      216.4929 3.573462 217.6914 3.627014 -1.198441      5.091646 
1 1 1 9  22 15 o 89.98496 3.114271 81.33026       5.605271      76.65448       7.764632      86.00604       8.083434      87.39336 4.442347 92.57657 4.365810 -5.183212      6.228543 
1 1 1 9  22 16 o 118.1879 2.819177 140.2026       6.658739      135.0309       9.429493      145.3743       9.408240      115.9996 4.064452 120.3763 3.907846 -4.376724      5.638353 
1 1 1 9  22 17 o 147.0526 2.912128 217.1405       8.551013      225.7127       11.58319      208.6391       12.56793      149.9786 3.861613 144.1265 4.360036 5.852112       5.824257 
1 1 1 9  22 18 o 158.9317 2.883060 253.6257       9.167366      252.9173       12.25622      254.2634       13.63061      158.7532 3.860148 159.1102 4.283386 -0.3570404     5.766120 
1 1 1 9  22 19 o 88.69665 3.624257 79.41744       6.478083      71.83701       8.033843      86.99788       10.16628      84.49771 4.753882 92.89558 5.471887 -8.397873      7.248513 
1 1 1 9  22 20 o 84.66161 3.602813 72.40377       6.162822      65.91436       7.318307      78.85069       9.918325      80.94057 4.520790 88.38263 5.611015 -7.442055      7.205625 
1 1 1 9  22 21 o 97.72626 3.032384 95.99522       5.930449      95.07423       7.927575      96.98705       8.820225      97.26543 4.075228 98.18707 4.491541 -0.9216385     6.064769 
1 1 1 9  22 22 o 123.6946 2.909172 154.0174       7.190785      146.8620       10.08835      161.1728       10.25838      120.8086 4.175346 126.5807 4.052111 -5.772133      5.818344 
1 1 1 9  22 23 o 129.5470 3.008589 168.9658       7.764632      174.7042       9.882903      163.1564       11.97992      131.8527 3.747705 127.2413 4.707561 4.611481       6.017178 
1 1 1 9  22 24 o 108.7732 3.574622 119.6575       7.722124      127.3796       9.982086      111.8645       11.78155      112.4277 4.439338 105.1188 5.603925 7.308884       7.149245 
1 1 1 9  22 25 o 86.12481 3.909706 75.52096       6.655196      86.36028       9.160281      64.73124       9.656199      92.43296 4.955095 79.81666 6.048986 12.61630       7.819412 
1 1 1 9  22 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  22 27 o 154.6593 3.018092 241.6529       9.351563      249.8709       13.88566      233.4349       12.51834      157.2363 4.415538 152.0823 4.115647 5.153946       6.036185 
1 1 1 9  22 28 f 69.14273 3.957990 49.04612       5.509629      41.62154       6.981792      56.47069       8.522675      63.91109 5.462113 74.37437 5.729578 -10.46328      7.915981 
1 1 1 9  22 29 o 102.1156 3.102424 105.8427       6.359063      99.39579       8.210957      112.2896       9.712874      99.07909 4.143637 105.1521 4.618486 -6.073044      6.204848 
1 1 1 9  22 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  22 31 o 61.45367 4.418379 39.21281       5.394152      36.61987       8.125941      41.81283       7.091603      59.18705 6.864628 63.72029 5.564634 -4.533237      8.836758 
1 1 1 9  22 32 o 58.44912 4.320365 35.64221       5.047719      35.77682       7.757547      35.51469       6.463206      58.33226 6.649449 58.56598 5.517884 -0.2337227     8.640730 
1 1 1 9  22 33 o 28.88381 6.417563 9.174451       4.386024      5.788759       6.631108      12.55377       5.743419      24.81326 9.512350 32.95436 8.617174 -8.141098      12.83513 
1 1 1 9  22 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  22 35 o 30.98936 7.759785 11.66112       6.483042      10.63386       11.02351      12.69546       6.830184      30.04619 12.05199 31.93254 9.777861 -1.886351      15.51957 
1 1 1 9  22 36 o 16.03013 7.131413 0.000000       0.000000      ?              ?             -0.5218456     4.624065      ?        ?        16.03013 7.131413 ?              ?        
1 1 1 9  22 37 o 15.18256 4.876814 -1.433198      3.291467      -3.067596      4.976873      0.2006335      4.309512      14.53815 6.811743 15.82698 6.980931 -1.288833      9.753628 
1 1 1 9  22 38 o 33.02961 5.272917 13.81481       3.407653      14.86332       5.041343      12.75922       4.585100      34.22462 7.566857 31.83459 7.345563 2.390038       10.54583 
1 1 1 9  23 0  f 117.6820 4.827610 139.3525       11.32106      139.3525       11.32106      139.3525       11.32106      117.6820 4.827610 117.6820 4.827610 0.000000       0.000000 
1 1 1 9  23 1  o 76.89143 4.204373 59.49578       6.450453      65.64514       9.273635      53.34642       8.969000      80.88553 5.732567 72.89733 6.151803 7.988197       8.408746 
1 1 1 9  23 2  o 50.25647 5.744906 25.85140       5.635026      23.49935       7.906322      28.20346       8.033843      47.56311 8.629260 52.94982 7.586280 -5.386711      11.48981 
1 1 1 9  23 3  o 128.4596 3.100483 165.3526       7.962997      164.1483       11.32814      166.5570       11.20062      127.9894 4.425423 128.9299 4.343688 -0.9404526     6.200967 
1 1 1 9  23 4  o 109.8034 3.307696 120.9327       7.254546      128.5840       10.21588      113.3523       10.29380      113.2723 4.509431 106.3345 4.840295 6.937851       6.615393 
1 1 1 9  23 5  o 213.5579 2.589171 456.8097       11.05893      470.8370       15.85515      442.8532       15.42300      216.8295 3.656133 210.2863 3.667142 6.543182       5.178343 
1 1 1 9  23 6  o 78.44307 3.487993 61.74865       5.476333      58.24891       7.481250      65.25550       7.998421      76.21726 4.907845 80.66887 4.957563 -4.451607      6.975986 
1 1 1 9  23 7  o 161.6500 2.524136 261.7021       8.161365      263.3315       11.56193      260.0727       11.51943      162.1536 3.565118 161.1465 3.574210 1.007111       5.048271 
1 1 1 9  23 8  o 114.2564 2.842102 130.8510       6.494378      128.4423       9.011506      133.1889       9.358648      113.2221 3.979571 115.2907 4.058718 -2.068604      5.684204 
1 1 1 9  23 9  o 139.3973 2.925000 194.9659       8.104689      182.7806       12.23496      207.0804       10.64095      135.0182 4.530856 143.7763 3.700521 -8.758118      5.850001 
1 1 1 9  23 10 f 144.9544 2.743194 210.6227       7.962997      216.5029       11.88782      204.6717       10.59844      146.9781 4.044080 142.9308 3.707541 4.047226       5.486387 
1 1 1 9  23 11 o 179.6985 2.746462 323.6208       9.875818      324.8251       14.95542      322.4164       12.89382      180.0047 4.154174 179.3922 3.593752 0.6125031      5.492924 
1 1 1 9  23 12 o 161.6527 2.567463 261.9146       8.303054      264.8901       11.80989      258.8683       11.66820      162.5819 3.631982 160.7235 3.629899 1.858444       5.134925 
1 1 1 9  23 13 o 71.09842 4.397413 51.01562       6.193994      55.61347       8.133026      46.41068       9.344479      74.36882 5.468035 67.82801 6.888363 6.540810       8.794826 
1 1 1 9  23 14 o 131.2663 3.067317 173.0039       8.040927      176.4753       10.68345      169.5325       12.02243      132.6189 4.027879 129.9137 4.627084 2.705200       6.134633 
1 1 1 9  23 15 o 104.9391 3.326747 110.7310       6.993127      105.9844       9.344479      115.4776       10.40716      102.7061 4.549135 107.1722 4.855344 -4.466064      6.653495 
1 1 1 9  23 16 o 122.2629 3.007432 150.1918       7.325392      155.0801       9.294888      145.2326       11.32814      124.3269 3.738083 120.1988 4.712252 4.128075       6.014863 
1 1 1 9  23 17 o 82.34924 3.322536 68.23100       5.453662      71.69532       7.346645      64.77375       8.062181      84.47165 4.348586 80.22682 5.024617 4.244827       6.645072 
1 1 1 9  23 18 o 76.80872 3.536082 59.87126       5.353770      70.28550       7.445828      49.46410       7.693786      83.59467 4.453531 70.02277 5.493775 13.57190       7.072164 
1 1 1 9  23 19 o 34.98424 6.600983 12.97175       4.723248      13.46058       6.308763      12.48292       7.032093      35.58394 8.882709 34.38453 9.766749 1.199409       13.20197 
1 1 1 9  23 20 o 40.38567 6.176291 17.40666       4.864230      14.79247       6.461080      20.01376       7.275800      37.27460 8.797830 43.49673 8.670898 -6.222130      12.35258 
1 1 1 9  23 21 o 65.92656 4.083384 43.97360       5.376441      44.85208       7.204955      43.09512       7.984251      66.63206 5.406523 65.22107 6.120914 1.410988       8.166767 
1 1 1 9  23 22 o 70.86821 3.959267 50.88810       5.573390      55.21673       7.516674      46.56654       8.232210      73.95639 5.081829 67.78002 6.072741 6.176369       7.918533 
1 1 1 9  23 23 o 25.97461 7.276049 4.045260       5.715081      4.646027       6.846478      3.444493       9.153197      25.20148 9.664310 26.74775 10.87955 -1.546268      14.55210 
1 1 1 9  23 24 o 31.24455 7.767929 9.386987       6.138027      5.572681       7.665448      13.19846       9.592437      26.86623 10.24823 35.62287 11.67633 -8.756643      15.53586 
1 1 1 9  23 25 o 41.21240 8.596711 19.62411       7.934660      11.04476       8.373900      28.19638       13.47475      32.69105 10.90951 49.73375 13.28896 -17.04270      17.19342 
1 1 1 9  23 26 o 89.86992 3.606648 81.89703       6.471707      84.02238       8.565183      79.84251       9.698705      91.11185 4.700366 88.62798 5.471581 2.483871       7.213296 
1 1 1 9  23 27 o 98.76576 3.268816 98.97072       6.431325      105.2051       8.756464      92.73634       9.422408      101.9708 4.293612 95.56068 4.930066 6.410164       6.537633 
1 1 1 9  23 28 f 43.00109 6.107584 19.85790       5.144068      21.84157       6.754380      17.88132       7.757547      45.83771 7.367711 40.16448 9.743059 5.673225       12.21517 
1 1 1 9  23 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  23 30 o 31.78031 7.045462 11.24313       5.034258      8.657280       6.356938      13.83606       7.807138      28.56932 9.505288 34.99129 10.40210 -6.421976      14.09092 
1 1 1 9  23 31 o 56.05919 4.580723 33.02094       5.166030      35.74139       8.026759      30.29340       6.504296      58.20312 6.895472 53.91525 6.031962 4.287865       9.161447 
1 1 1 9  23 32 o 24.94555 6.692509 5.916989       4.626190      5.301345       6.931493      6.531926       6.128817      24.59230 9.659268 25.29880 9.265917 -0.7064972     13.38502 
1 1 1 9  23 33 o 61.68861 4.564850 41.35941       5.647069      45.84391       8.508506      36.86783       7.431659      64.97820 6.547200 58.39901 6.362830 6.579193       9.129701 
1 1 1 9  23 34 f 20.58342 5.908107 1.324096       4.300302      -4.209620      6.491544      6.858521       5.642110      16.58099 7.770810 24.58585 8.901541 -8.004858      11.81621 
1 1 1 9  23 35 o 37.35012 5.399113 16.90366       4.048802      24.01651       6.298845      9.797889       5.088809      46.34519 6.795575 28.35504 8.391772 17.99015       10.79823 
1 1 1 9  23 36 f 30.38568 7.347390 12.73796       5.894319      12.17829       10.12378      13.29056       6.038135      28.94392 11.57468 31.82744 9.053357 -2.883518      14.69478 
1 1 1 9  23 37 o 19.99781 6.208032 1.290799       5.339601      -1.909278      9.110690      4.490876       5.567014      19.32998 9.089413 20.66563 8.458205 -1.335655      12.41606 
1 1 1 9  24 0  o 24.07452 12.85330 8.487252       8.331393      8.487252       8.331393      8.487252       8.331393      24.07452 12.85330 24.07452 12.85330 -0.000000      0.000000 
1 1 1 9  24 1  o 131.2657 3.175900 172.7914       8.338477      166.2736       11.51943      179.3091       12.06493      128.7905 4.472157 133.7409 4.510563 -4.950409      6.351800 
1 1 1 9  24 2  o 247.5510 3.106930 614.2985       15.38049      623.1542       21.79906      605.4429       21.70696      249.3383 4.371382 245.7636 4.416229 3.574783       6.213861 
1 1 1 9  24 3  o 246.5008 3.086090 609.2686       15.22463      587.0939       20.92767      631.4431       22.11078      242.0190 4.323558 250.9826 4.404843 -8.963623      6.172179 
1 1 1 9  24 4  o 84.83736 4.697697 73.25391       7.537927      89.33577       8.685618      57.15789       12.33415      94.39114 4.600865 75.28356 8.191792 19.10758       9.395393 
1 1 1 9  24 5  o 97.46769 3.388709 95.28677       6.613398      94.01155       8.551013      96.56198       10.08835      96.83733 4.415143 98.09805 5.141974 -1.260727      6.777418 
1 1 1 9  24 6  o 74.27972 3.739525 56.14481       5.503253      43.13054       7.403321      69.15199       8.140111      65.53465 5.648403 83.02480 4.902217 -17.49015      7.479050 
1 1 1 9  24 7  o 297.4803 2.876220 886.9816       17.11619      880.6056       24.03777      893.3577       24.36366      296.4132 4.054773 298.5474 4.080366 -2.134186      5.752441 
1 1 1 9  24 8  o 83.55412 3.632650 70.08005       6.065056      71.41194       8.090520      68.76233       9.032760      84.36447 4.794980 82.74376 5.458273 1.620712       7.265299 
1 1 1 9  24 9  f 102.0424 3.524993 104.6383       7.219123      97.05790       9.479085      112.2896       10.88182      98.33823 4.819633 105.7466 5.145236 -7.408325      7.049987 
1 1 1 9  24 10 o 127.9941 3.623841 165.2818       9.429493      144.4533       10.75430      186.0394       15.49384      119.9778 4.481785 136.0103 5.695832 -16.03250      7.247683 
1 1 1 9  24 11 o 31.69229 7.254994 8.310139       6.404404      -4.714038      7.091603      21.33148       10.66928      18.61674 8.495765 44.76784 11.76273 -26.15110      14.50999 
1 1 1 9  24 12 o 72.86569 4.428207 53.72190       6.393777      60.02004       8.756464      47.42376       9.323226      77.20632 5.670821 68.52506 6.802785 8.681259       8.856415 
1 1 1 9  24 13 f 139.7906 2.686016 196.2411       7.516674      185.6144       10.18045      206.7971       11.06602      136.0216 3.742218 143.5595 3.854157 -7.537888      5.372032 
1 1 1 9  24 14 o 120.7105 2.789020 146.6495       6.713998      161.3853       9.571183      131.8429       9.415324      126.8253 3.773373 114.5956 4.108065 12.22970       5.578041 
1 1 1 9  24 15 o 101.6502 3.019338 103.7882       6.143694      100.3168       8.359732      107.3305       9.004422      99.94228 4.182280 103.3581 4.355933 -3.415855      6.038677 
1 1 1 9  24 16 o 113.0360 2.846050 128.3715       6.431325      130.9219       8.841478      125.8210       9.337394      114.1783 3.871787 111.8937 4.172441 2.284607       5.692100 
1 1 1 9  24 17 o 19.67641 5.848951 -4.546844      4.678616      5.084558       6.368274      -14.17612      6.855688      25.25368 9.413281 14.09914 6.944859 11.15453       11.69790 
1 1 1 9  24 18 o 51.59213 4.860059 27.12662       5.012296      23.23722       6.719665      31.02311       7.438744      47.85596 7.020719 55.32831 6.722367 -7.472347      9.720119 
1 1 1 9  24 19 o 98.08800 3.118176 97.19958       6.135900      86.07689       8.033843      108.3223       9.280719      92.46726 4.344155 103.7087 4.474415 -11.24147      6.236351 
1 1 1 9  24 20 o 120.6388 2.904023 146.3661       7.005879      146.7912       9.443663      145.9411       10.35048      120.8464 3.907299 120.4313 4.297256 0.4151459      5.808046 
1 1 1 9  24 21 o 34.52951 7.131271 12.63170       5.255295      13.24805       7.001628      12.01534       7.835476      35.18576 9.659764 33.87327 10.49329 1.312489       14.26254 
1 1 1 9  24 22 o 65.25510 4.605393 43.32891       6.026799      41.04770       7.906322      45.61013       9.096521      63.58390 6.217236 66.92630 6.795924 -3.342396      9.210787 
1 1 1 9  24 23 o 80.97264 6.991557 70.36343       11.86657      90.32761       20.69388      50.43468       11.63278      92.14450 11.22904 69.80078 8.332843 22.34372       13.98311 
1 1 1 9  24 24 o 48.08143 7.153301 25.24214       6.673616      24.72497       8.756464      25.75222       10.07418      47.79770 9.497322 48.36516 10.69952 -0.5674667     14.30660 
1 1 1 9  24 25 o 71.14513 4.916907 52.01453       7.037760      49.74040       7.906322      54.28866       11.64695      69.90561 5.654998 72.38464 8.045179 -2.479027      9.833815 
1 1 1 9  24 26 o 126.6448 2.951843 162.2355       7.481250      157.8430       10.15211      166.6279       10.99517      124.9678 4.061893 128.3218 4.284219 -3.353996      5.903686 
1 1 1 9  24 27 o 29.62838 6.853507 8.359732       5.071806      13.21971       6.695578      3.494084       7.622942      34.64609 9.417442 24.61066 9.959620 10.03542       13.70701 
1 1 1 9  24 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  24 29 o 22.05513 6.569068 0.9875817      5.079599      3.586183       6.662281      -1.611728      7.672533      23.38531 9.373872 20.72495 9.205496 2.660357       13.13814 
1 1 1 9  24 30 o 25.47218 6.939932 5.504670       5.108645      2.146609       6.485168      8.862731       7.899237      21.71054 9.033649 29.23383 10.53773 -7.523294      13.87986 
1 1 1 9  24 31 o 19.74800 6.203684 -0.8012589     4.929408      -2.741000      6.283259      1.139191       7.594603      17.60832 8.025146 21.88768 9.462548 -4.279364      12.40737 
1 1 1 9  24 32 o 28.45166 7.229364 9.139028       5.310555      12.09327       8.260548      6.192576       6.679992      31.76521 10.83544 25.13811 9.573301 6.627096       14.45873 
1 1 1 9  24 33 o 24.23625 6.821505 6.950621       5.024340      10.08835       7.821308      3.815013       6.308763      27.31073 10.37110 21.16176 8.864089 6.148972       13.64301 
1 1 1 9  24 34 o 17.87584 5.564277 -1.936907      4.218830      4.779924       6.235084      -8.650196      5.685325      22.46705 9.042337 13.28463 6.486976 9.182412       11.12855 
1 1 1 9  24 35 o 29.34194 6.470278 11.28564       4.231582      9.833311       5.899987      12.73796       6.067889      27.50556 9.157289 31.17832 9.143415 -3.672764      12.94056 
1 1 1 9  24 36 f 56.37739 3.921506 35.58553       4.423573      36.40734       6.779175      34.76373       5.684617      56.51865 5.997291 56.23613 5.054239 0.2825127      7.843012 
1 1 1 9  24 37 o 44.03821 5.028128 24.41325       4.286842      26.88575       5.965164      21.94075       6.158571      47.33108 6.301530 40.74533 7.837027 6.585743       10.05626 
1 1 1 9  25 0  o 44.95747 8.860559 22.45084       7.098687      22.45084       7.098687      22.45084       7.098687      44.95747 8.860559 44.95747 8.860559 0.000000       0.000000 
1 1 1 9  25 1  o 68.57525 3.856703 47.25373       5.286468      45.19923       7.495420      49.30116       7.452912      67.07899 5.587010 70.07150 5.318077 -2.992508      7.713406 
1 1 1 9  25 2  o 173.8098 2.593353 302.7214       9.018591      308.5307       12.82298      296.9121       12.67420      175.4790 3.653708 172.1406 3.681351 3.338333       5.186707 
1 1 1 9  25 3  o 55.87546 4.717238 31.63946       5.225540      26.46067       7.304138      36.81824       7.481250      51.24562 7.126597 60.50530 6.182311 -9.259678      9.434477 
1 1 1 9  25 4  o 149.5172 2.846046 224.1541       8.508506      222.0288       12.70963      226.2086       11.30689      148.7966 4.270805 150.2379 3.762995 -1.441330      5.692092 
1 1 1 9  25 5  o 92.45695 4.477589 86.07689       8.281801      85.15590       10.89599      86.92703       12.48292      92.01872 5.920528 92.89517 6.718821 -0.8764496     8.955178 
1 1 1 9  25 6  o 180.3322 3.738421 326.8796       13.46058      339.2067       18.48351      314.5526       19.57452      183.7749 5.028844 176.8895 5.532982 6.885437       7.476841 
1 1 1 9  25 7  o 166.7491 3.760838 279.6259       12.58210      266.9446       16.16687      292.3781       19.28406      163.0128 4.958772 170.4854 5.655634 -7.472519      7.521677 
1 1 1 9  25 8  o 172.1238 3.526061 297.9040       12.07202      310.7978       15.06877      284.9393       18.85899      175.9728 4.281561 168.2748 5.603628 7.698044       7.052121 
1 1 1 9  25 9  o 137.1375 3.021237 188.8024       8.281801      190.1485       10.71179      187.4563       12.63170      137.6719 3.890334 136.6030 4.623505 1.068848       6.042474 
1 1 1 9  25 10 o 64.16389 4.563553 41.59320       5.867398      43.99485       8.713958      39.19156       7.856731      66.00408 6.601074 62.32370 6.303164 3.680386       9.127106 
1 1 1 9  25 11 o 67.63974 4.044767 46.11312       5.464997      47.61504       7.523758      44.61121       7.927575      68.76345 5.470753 66.51602 5.959147 2.247429       8.089535 
1 1 1 9  25 12 o 96.04443 3.243957 92.73634       6.222332      96.20776       8.558097      89.26492       9.032760      97.86448 4.372423 94.22440 4.793218 3.640083       6.487913 
1 1 1 9  25 13 f 71.98143 3.851436 52.24123       5.533009      55.00420       7.644195      49.47119       7.998421      73.91528 5.170917 70.04758 5.709278 3.867699       7.702871 
1 1 1 9  25 14 o 119.9276 2.845111 144.8075       6.809639      157.5597       9.741212      131.9846       9.521592      125.2527 3.888624 114.6025 4.154181 10.65015       5.690221 
1 1 1 9  25 15 f 60.38828 4.577443 37.97301       5.421073      25.44050       7.091603      50.50553       8.203872      50.06434 7.082488 70.71221 5.800887 -20.64787      9.154885 
1 1 1 9  25 16 o 30.33499 6.476772 8.558097       4.915947      0.2859311      6.496503      16.83282       7.382068      20.93218 8.891566 39.73780 9.419892 -18.80562      12.95354 
1 1 1 9  25 17 f 123.8090 3.059580 154.5133       7.630026      142.1863       9.479085      166.8404       11.95158      118.9216 3.985434 128.6965 4.643322 -9.774841      6.119160 
1 1 1 9  25 18 o 106.9549 3.094384 115.1234       6.615522      117.0362       9.082352      113.2814       9.620775      107.8529 4.210528 106.0568 4.535669 1.796059       6.188767 
1 1 1 9  25 19 o 44.15118 6.322930 20.73638       5.400528      20.58761       7.247461      20.87807       8.005506      44.10082 8.521028 44.20154 9.343976 -0.1007156     12.64586 
1 1 1 9  25 20 o 93.79094 3.519195 88.91070       6.615522      82.39294       8.798972      95.49931       9.882903      90.35048 4.869355 97.23140 5.082156 -6.880920      7.038389 
1 1 1 9  25 21 o 23.27894 7.059723 0.5389192E-01  5.901403      0.7060431      7.984251      -0.5982167     8.692703      23.25148 9.866198 23.30639 10.10034 -0.5491066E-01 14.11945 
1 1 1 9  25 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  25 23 o 95.84743 4.005201 93.44479       7.679617      94.64915       10.67637      92.31127       11.03059      96.48461 5.532680 95.21026 5.792755 1.274353       8.010403 
1 1 1 9  25 24 o 18.79856 6.104012 -6.025383      5.428158      -1.756961      6.876233      -10.29380      8.402238      19.80210 8.765299 17.79501 8.497376 2.007095       12.20802 
1 1 1 9  25 25 o 67.44387 4.961270 47.15455       6.784134      41.69239       7.870899      52.62380       11.05185      63.76413 6.171886 71.12360 7.769466 -7.359470      9.922540 
1 1 1 9  25 26 o 49.23869 6.203080 27.26831       5.811430      15.01918       7.849646      39.51744       8.572267      36.72277 10.28305 61.75462 6.940588 -25.03185      12.40616 
1 1 1 9  25 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  25 28 o 80.40569 3.754417 66.41027       6.045928      64.96503       7.977167      67.86259       9.082352      79.64577 5.007905 81.16562 5.594950 -1.519852      7.508833 
1 1 1 9  25 29 o 25.14330 6.339037 2.075055       5.150445      12.25622       6.689910      -8.104689      7.835476      32.82941 9.592003 17.45717 8.290176 15.37224       12.67807 
1 1 1 9  25 30 o 46.53959 5.827858 24.34240       5.328265      20.38216       6.966206      28.30265       8.062181      42.27631 8.537867 50.80287 7.934770 -8.526558      11.65572 
1 1 1 9  25 31 o 69.39501 4.489116 51.44777       6.127400      57.80967       8.069265      45.08587       9.224042      74.27135 5.432287 64.51868 7.148351 9.752670       8.978232 
1 1 1 9  25 32 f 30.39049 8.547394 16.52110       7.821308      13.90691       10.76138      19.12820       11.35648      28.65802 11.74970 32.12296 12.41678 -3.464943      17.09479 
1 1 1 9  25 33 o 20.78369 6.183776 2.712662       4.478832      6.448328       6.893944      -1.023713      5.720040      24.35845 9.612216 17.20893 7.782135 7.149523       12.36755 
1 1 1 9  25 34 o 23.58942 6.106332 6.223041       4.012671      10.69054       6.041677      1.757669       5.282925      28.60655 9.264369 18.57229 7.957426 10.03426       12.21266 
1 1 1 9  25 35 o 30.96893 6.460040 13.31181       4.390275      16.89658       6.442660      9.727042       5.965164      35.32845 9.072111 26.60940 9.199198 8.719048       12.92008 
1 1 1 9  25 36 o 18.14548 5.673470 1.885190       4.076432      0.8118857      5.867398      2.958495       5.661238      17.44548 7.885816 18.84547 8.158855 -1.399992      11.34694 
1 1 1 9  26 0  o 55.31899 9.102093 32.79423       9.365732      32.79423       9.365732      32.79423       9.365732      55.31899 9.102093 55.31899 9.102093 0.000000       0.000000 
1 1 1 9  26 1  o 27.48663 7.385005 5.557804       5.615897      4.885483       7.580434      6.229416       8.288886      26.47948 10.16488 28.49378 10.71581 -2.014296      14.77001 
1 1 1 9  26 2  o 116.1292 3.394862 135.4560       7.885069      135.6685       10.67637      135.3143       11.60444      116.2281 4.592853 116.0303 5.000606 0.1977386      6.789724 
1 1 1 9  26 3  o 38.68763 6.748792 16.16687       5.605979      6.624024       7.204955      25.70263       8.586436      27.83430 10.06095 49.54096 8.997893 -21.70666      13.49758 
1 1 1 9  26 4  o 95.86358 3.697589 92.45296       7.091603      87.98971       9.649114      96.98705       10.40716      93.53829 5.157841 98.18887 5.299560 -4.650574      7.395178 
1 1 1 9  26 5  o 89.01440 3.867956 80.19674       6.970457      91.46112       11.13686      68.86151       8.388069      95.27888 5.844349 82.74992 5.068325 12.52896       7.735912 
1 1 1 9  26 6  o 83.94917 3.611683 71.12856       6.042386      62.21624       8.373900      80.12590       8.713958      78.62548 5.325182 89.27287 4.880518 -10.64739      7.223366 
1 1 1 9  26 7  o 174.5619 2.855922 305.8386       9.975000      304.1384       13.18429      307.6097       14.96959      174.1065 3.786271 175.0173 4.276600 -0.9108582     5.711844 
1 1 1 9  26 8  o 241.1611 3.418137 584.9686       16.57069      603.1050       27.52335      566.7614       18.46934      244.6754 5.624463 237.6468 3.885880 7.028580       6.836274 
1 1 1 9  26 9  o 83.57086 3.761714 70.46970       6.307346      76.93786       9.486169      63.98028       8.310139      87.41003 5.426248 79.73170 5.211314 7.678322       7.523427 
1 1 1 9  26 10 f 43.36081 6.913979 20.14128       5.897153      15.79847       7.892153      24.47701       8.763549      38.55651 10.11022 48.16512 9.433765 -9.608608      13.82796 
1 1 1 9  26 11 o 109.7263 3.519317 121.2161       7.722124      119.8700       10.46383      122.5622       11.37065      109.1437 4.793602 110.3090 5.154002 -1.165230      7.038633 
1 1 1 9  26 12 o 74.61598 4.480626 56.79658       6.597104      67.08330       9.301972      46.50277       9.358648      81.51408 5.705746 67.71789 6.910027 13.79619       8.961251 
1 1 1 9  26 13 o 88.42986 3.726521 78.85069       6.599937      77.64632       8.331393      80.05505       10.23713      87.82338 4.743266 89.03635 5.748848 -1.212967      7.453041 
1 1 1 9  26 14 o 59.70998 4.927027 36.43568       5.744127      42.86134       7.587519      30.01002       8.628942      65.14294 5.823747 54.27701 7.948985 10.86592       9.854054 
1 1 1 9  26 15 o 152.5555 2.787685 233.9308       8.508506      231.5929       11.64695      236.3395       12.40499      151.8030 3.836204 153.3080 4.045774 -1.504990      5.575370 
1 1 1 9  26 16 o 124.7335 2.961010 156.6387       7.374983      164.5733       10.23713      148.7040       10.61261      127.9279 4.001132 121.5392 4.365921 6.388763       5.922020 
1 1 1 9  26 17 o 115.2395 3.133590 133.8265       7.226208      127.4505       9.861650      140.1318       10.57010      112.5160 4.382333 117.9631 4.480258 -5.447121      6.267180 
1 1 1 9  26 18 o 95.72845 3.563864 93.65733       6.719665      113.9899       9.649114      73.32476       9.358648      106.3341 4.537167 85.12280 5.497146 21.21133       7.127728 
1 1 1 9  26 19 o 31.40414 7.034323 8.465999       5.869523      -2.125355      7.644195      19.05735       8.905238      20.88166 9.242659 41.92662 10.60661 -21.04496      14.06865 
1 1 1 9  26 20 o 26.70179 7.660408 2.427156       6.704079      7.509589       9.004422      -2.658819      9.932493      29.80450 11.17665 23.59908 10.47902 6.205420       15.32082 
1 1 1 9  26 21 o 115.0435 3.828259 134.6767       8.827310      128.6548       11.71779      140.6277       13.19846      112.5564 5.205297 117.5305 5.614906 -4.974106      7.656519 
1 1 1 9  26 22 o 102.6490 3.625038 107.2596       7.382068      120.2951       10.22296      94.22409       10.64803      109.0280 4.688226 96.27003 5.530294 12.75800       7.250077 
1 1 1 9  26 23 o 74.27753 4.498084 56.59821       6.672907      52.62380       9.365732      60.57263       9.507423      71.61584 6.538869 76.93920 6.178530 -5.323357      8.996167 
1 1 1 9  26 24 o 49.49838 6.772662 26.51735       6.514922      29.10320       8.062181      23.92442       10.23713      52.89620 7.620756 46.10057 11.19821 6.795635       13.54532 
1 1 1 9  26 25 o 38.30011 7.037308 16.33690       5.476333      17.42792       7.261631      15.25297       8.196787      39.69437 9.299994 36.90585 10.56432 2.788525       14.07462 
1 1 1 9  26 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  26 27 o 30.88504 7.404509 10.29380       5.468539      9.557014       7.169532      11.03768       8.260548      29.89147 10.09456 31.87862 10.83544 -1.987152      14.80902 
1 1 1 9  26 28 o 33.84361 7.065305 12.82298       5.387776      17.37832       7.254546      8.267632       7.962997      39.02275 9.394285 28.66447 10.55564 10.35828       14.13061 
1 1 1 9  26 29 o 29.26683 6.939579 9.330310       5.229791      2.473205       6.776341      16.18104       7.970083      21.95341 9.190712 36.58025 10.40009 -14.62683      13.87916 
1 1 1 9  26 30 o 43.71427 6.901261 22.86174       5.907779      23.18054       7.594603      22.54293       9.054014      44.70076 8.808634 42.72778 10.62627 1.972984       13.80252 
1 1 1 9  26 31 o 30.95862 7.456179 11.61861       7.382068      22.75547       8.487252      0.4891860      12.07910      39.45391 10.54867 22.46332 10.54059 16.99059       14.91236 
1 1 1 9  26 32 o 18.55446 5.918822 -1.602518      4.855729      1.630856       6.236501      -4.835892      7.445828      19.73942 8.554856 17.36950 8.181947 2.369913       11.83764 
1 1 1 9  26 33 o 49.37605 4.461713 27.31082       4.402319      26.81490       6.363315      27.79965       6.085601      48.74545 6.527086 50.00666 6.084790 -1.261211      8.923426 
1 1 1 9  26 34 o 45.03547 5.243020 24.89499       4.552511      31.10103       6.756505      18.69604       6.103312      51.80597 6.520971 38.26498 8.211819 13.54099       10.48604 
1 1 1 9  26 35 f 50.16596 4.855024 30.78931       4.902486      34.72831       7.594603      26.85741       6.203912      52.98516 7.166727 47.34677 6.551569 5.638386       9.710048 
1 1 1 9  27 0  o 176.7707 5.389427 314.4109       19.01485      314.4109       19.01485      314.4109       19.01485      176.7707 5.389427 176.7707 5.389427 0.000000       0.000000 
1 1 1 9  27 1  o 57.27122 6.022561 33.38225       6.932909      35.04002       10.99517      31.72447       8.451830      58.59170 9.382875 55.95074 7.552920 2.640953       12.04512 
1 1 1 9  27 2  o 72.18306 4.477201 52.59546       6.459663      51.66739       9.443663      53.53061       8.813140      71.51430 6.602639 72.85181 6.048676 -1.337517      8.954403 
1 1 1 9  27 3  f 33.26411 7.161980 10.46383       5.899987      19.83665       8.933578      1.098100       7.707955      43.14116 10.44952 23.38706 9.797112 19.75409       14.32396 
1 1 1 9  27 4  o 73.70282 4.304471 54.85543       6.368981      58.34100       9.705790      51.36984       8.246379      76.01474 6.384150 71.39090 5.775511 4.623840       8.608943 
1 1 1 9  27 5  o 37.55206 6.721909 14.97667       5.068973      16.65570       7.261631      13.29056       7.076016      39.62528 9.310464 35.47885 9.698015 4.146427       13.44382 
1 1 1 9  27 6  o 58.08801 4.811622 34.24656       5.584017      30.35007       7.630026      38.13596       8.154280      54.75939 6.966865 61.41663 6.638495 -6.657242      9.623244 
1 1 1 9  27 7  o 96.46089 3.518254 94.01155       6.811056      82.53463       8.876901      105.4885       10.33631      90.56015 4.901108 102.3616 5.048919 -11.80148      7.036507 
1 1 1 9  27 8  o 54.81350 5.141678 30.49885       5.634317      31.08686       7.835476      29.91083       8.097604      55.36340 7.076405 54.26360 7.461360 1.099808       10.28336 
1 1 1 9  27 9  o 125.0781 3.360960 157.7722       8.388069      171.0911       11.97283      144.4533       11.76030      130.3949 4.590992 119.7614 4.909889 10.63350       6.721921 
1 1 1 9  27 10 o 126.7838 3.161687 161.6687       8.005506      163.4398       10.45675      159.9684       12.13578      127.5241 4.099910 126.0435 4.814125 1.480644       6.323374 
1 1 1 9  27 11 o 26.20663 6.985262 4.694201       5.195786      0.6879776      7.141194      8.699788       7.552096      22.21271 9.373262 30.20055 10.35942 -7.987846      13.97052 
1 1 1 9  27 12 o 123.2281 3.181807 152.8130       7.835476      151.1836       11.61861      154.4425       10.52051      122.5286 4.741182 123.9277 4.244616 -1.399094      6.363613 
1 1 1 9  27 13 o 77.89966 4.127058 61.50778       6.429908      66.07021       9.337394      56.93827       8.841478      80.80457 5.777764 74.99475 5.894732 5.809822       8.254115 
1 1 1 9  27 14 o 87.74146 4.076737 77.92970       7.162447      72.40377       9.663282      83.52647       10.57718      84.61758 5.709973 90.86533 5.820253 -6.247749      8.153474 
1 1 1 9  27 15 o 60.18094 5.498199 36.99535       6.609855      37.64713       8.883986      36.34358       9.790804      60.78478 7.307739 59.57710 8.216919 1.207676       10.99640 
1 1 1 9  27 16 o 77.08632 4.415776 60.33884       6.807514      60.40969       8.997337      60.26799       10.21588      77.20731 5.826740 76.96533 6.636673 0.2419739      8.831553 
1 1 1 9  27 17 o 23.68081 7.062960 -0.6960539     6.082059      4.486625       7.807138      -5.878733      9.330310      26.11062 10.25264 21.25101 9.717251 4.859615       14.12592 
1 1 1 9  27 18 o 153.9782 3.445698 239.7401       10.63386      232.0888       13.60936      247.3914       16.35107      151.6465 4.487198 156.3100 5.230335 -4.663452      6.891397 
1 1 1 9  27 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  27 20 o 116.9868 3.454856 138.6440       8.076350      140.1318       11.03768      137.1563       11.80281      117.6736 4.689956 116.3000 5.074293 1.373566       6.909713 
1 1 1 9  27 21 o 108.9185 3.395199 120.5785       7.410406      106.3386       9.826226      134.8892       11.09435      102.4520 4.795528 115.3850 4.807537 -12.93304      6.790398 
1 1 1 9  27 22 o 30.53500 6.921451 7.821308       5.742002      -2.778548      7.707955      18.41266       8.515590      20.33507 9.122304 40.73494 10.41199 -20.39987      13.84290 
1 1 1 9  27 23 o 29.53590 7.286682 7.955913       5.715789      1.324096       7.523758      14.58702       8.607689      22.77923 9.617115 36.29257 10.94961 -13.51335      14.57336 
1 1 1 9  27 24 o 28.85252 6.991434 4.278340       6.181951      14.84915       7.424574      -6.291760      9.889987      36.39969 9.927030 21.30534 9.847572 15.09435       13.98287 
1 1 1 9  27 25 o 62.15195 8.730793 44.97960       10.49217      51.51862       9.054014      38.43351       18.93692      70.31657 6.438037 53.98733 16.23141 16.32924       17.46159 
1 1 1 9  27 26 o 59.41418 5.054518 37.31416       6.017590      34.03402       8.026759      40.59429       8.969000      56.83493 7.061467 61.99344 7.233829 -5.158512      10.10904 
1 1 1 9  27 27 o 30.85642 7.414167 10.58427       5.503962      8.331393       7.254546      12.84423       8.281801      28.29006 10.10836 33.42279 10.84899 -5.132729      14.82833 
1 1 1 9  27 28 o 25.97720 6.966256 5.484834       5.373607      10.34340       7.141194      0.6248544      8.033843      29.94794 10.07459 22.00646 9.623803 7.941486       13.93251 
1 1 1 9  27 29 o 20.58013 6.717881 -3.503294      6.558846      -7.247461      9.557014      0.2417946      8.990252      19.15681 9.124957 22.00345 9.861787 -2.846642      13.43576 
1 1 1 9  27 30 o 26.71221 7.567560 8.813140       6.203204      7.318307       7.403321      10.30797       9.960832      25.20693 9.956580 28.21750 11.39905 -3.010572      15.13512 
1 1 1 9  27 31 o 22.99015 6.557124 3.095226       5.331100      -7.452912      6.194703      13.64478       8.678535      14.53895 7.025193 31.44135 11.07385 -16.90240      13.11425 
1 1 1 9  27 32 o 16.95388 5.675539 -4.556053      5.084558      -8.012589      6.293886      -1.096683      7.984251      14.33715 6.961674 19.57060 8.965604 -5.233444      11.35108 
1 1 1 9  27 33 o 24.94384 6.840250 8.317224       4.897527      7.729208       6.298845      8.898154       7.502505      24.36454 9.291073 25.52313 10.04152 -1.158588      13.68050 
1 1 1 9  27 34 o 15.11819 4.979927 -2.756586      3.803678      -6.140152      5.528049      0.6269798      5.225540      13.45566 6.530743 16.78073 7.519846 -3.325076      9.959854 
1 1 1 9  28 0  o 26.38898 12.51198 10.44966       7.445828      10.44966       7.445828      10.44966       7.445828      26.38898 12.51198 26.38898 12.51198 -0.000000      0.000000 
1 1 1 9  28 1  o 146.3440 2.852362 215.1568       8.345562      211.3312       11.72488      219.0533       11.88782      145.0296 4.042235 147.6584 4.025445 -2.628830      5.704724 
1 1 1 9  28 2  o 35.75794 7.186569 13.52434       5.387067      12.44750       7.474166      14.60119       7.757547      34.45998 10.16119 37.05590 10.16550 -2.595924      14.37314 
1 1 1 9  28 3  o 71.42883 4.248755 51.99327       6.084892      42.54253       7.870899      61.45111       9.280719      64.87330 6.066363 77.98438 5.950371 -13.11108      8.497510 
1 1 1 9  28 4  o 101.4771 3.448402 103.7173       6.988877      105.9844       9.379901      101.4503       10.36465      102.6299 4.569773 100.3244 5.165566 2.305428       6.896803 
1 1 1 9  28 5  o 169.3415 3.179262 288.5524       10.76138      278.4215       15.29548      298.7541       15.13961      166.3345 4.597805 172.3484 4.392154 -6.013901      6.358524 
1 1 1 9  28 6  o 106.7342 3.722590 114.9817       7.962997      122.4205       11.83114      107.5430       10.65512      110.1729 5.369355 103.2955 5.157590 6.877373       7.445180 
1 1 1 9  28 7  o 109.0801 3.814170 120.3660       8.260548      106.9762       11.98701      133.7557       11.35648      102.9177 5.823586 115.2424 4.927213 -12.32470      7.628340 
1 1 1 9  28 8  o 144.2544 3.448156 209.6309       9.953747      214.5192       14.42408      204.6717       13.71563      145.9353 4.941944 142.5735 4.810021 3.361816       6.896311 
1 1 1 9  28 9  o 78.07506 5.199466 62.03912       8.154280      63.98028       13.55977      60.09797       9.068183      79.05589 8.576063 77.09422 5.881234 1.961670       10.39893 
1 1 1 9  28 10 o 133.2084 3.019274 178.6007       8.040927      180.2301       11.28564      176.9713       11.46275      133.8267 4.216510 132.5901 4.322628 1.236679       6.038549 
1 1 1 9  28 11 o 104.9169 3.355516 110.9436       7.040594      111.5812       9.946663      110.3059       9.967916      105.2216 4.726531 104.6121 4.764227 0.6094894      6.711032 
1 1 1 9  28 12 o 60.06640 4.906255 36.76156       5.880858      40.48093       8.430575      33.04219       8.196787      63.14872 6.675177 56.98408 7.192173 6.164635       9.812510 
1 1 1 9  28 13 o 25.98378 6.668005 2.235874       5.432408      12.20662       7.686701      -7.736294      7.679617      34.07633 10.36057 17.89123 8.396890 16.18510       13.33601 
1 1 1 9  28 14 o 63.06297 4.816609 40.55178       6.053721      43.60521       8.437660      37.49835       8.685618      65.50050 6.440914 60.62543 7.163346 4.875065       9.633218 
1 1 1 9  28 15 o 53.77551 6.032615 30.46342       6.199661      36.48527       8.607689      24.43450       8.926493      59.79057 7.198200 47.76045 9.682753 12.03012       12.06523 
1 1 1 9  28 16 o 70.48595 5.697897 51.21398       8.012589      48.23140       11.54776      54.18948       11.10852      68.33200 8.449749 72.63988 7.646298 -4.307884      11.39579 
1 1 1 9  28 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  28 18 o 47.85441 7.845246 25.49718       7.431659      31.37024       10.72596      19.61703       10.30089      53.67487 10.36138 42.03395 11.78276 11.64092       15.69049 
1 1 1 9  28 19 o 30.72956 7.085619 4.189075       6.670074      20.19796       9.436578      -11.81698      9.429493      42.73474 10.98276 18.72438 8.955612 24.01035       14.17124 
1 1 1 9  28 20 o 70.05563 5.026300 50.63305       7.056888      49.15947       8.862731      52.10663       10.98809      69.23788 6.400204 70.87339 7.751913 -1.635506      10.05260 
1 1 1 9  28 21 o 135.7458 3.296944 187.1021       8.976085      180.7260       11.38482      193.4782       13.87857      133.5980 4.260850 137.8937 5.032345 -4.295700      6.593887 
1 1 1 9  28 22 o 65.88540 5.081928 45.17089       6.630400      48.38726       8.473083      41.95451       10.20170      68.56175 6.179162 63.20904 8.069816 5.352711       10.16386 
1 1 1 9  28 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  28 24 o 64.09077 4.965146 43.77523       6.320098      32.10704       8.196787      55.43635       9.627860      55.22840 7.420808 72.95314 6.598660 -17.72474      9.930292 
1 1 1 9  28 25 o 60.09747 5.186090 38.74523       6.220915      30.85307       8.161365      46.63030       9.394071      53.79324 7.585865 66.40170 7.073667 -12.60846      10.37218 
1 1 1 9  28 26 o 38.04443 6.479325 14.09111       6.509255      29.75498       7.920490      -1.573471      10.32923      52.60286 7.528575 23.48599 10.54738 29.11686       12.95865 
1 1 1 9  28 27 o 28.59434 7.739900 7.835476       6.427783      9.932493       7.800055      5.732792       10.21588      29.71637 10.49517 27.47232 11.37874 2.244049       15.47980 
1 1 1 9  28 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  28 29 o 57.39754 6.488642 39.61662       6.874816      49.67664       8.997337      29.56369       10.40007      67.21519 6.692935 47.57989 11.11821 19.63530       12.97728 
1 1 1 9  28 30 o 21.30309 6.522648 1.965245       5.198619      -1.224913      7.056180      5.154695       7.637110      18.83566 8.563020 23.77052 9.841465 -4.934866      13.04530 
1 1 1 9  28 31 o 37.65725 6.848833 19.02901       5.238293      15.47967       6.936451      22.58544       7.849646      33.91721 9.721347 41.39730 9.649947 -7.480095      13.69767 
1 1 1 9  28 32 o 19.09158 5.870723 0.6293177      4.506462      5.671865       6.119606      -4.413655      6.616940      22.23448 8.954286 15.94868 7.594887 6.285804       11.74145 
1 1 1 9  28 33 o 17.81888 5.654632 0.5855354      4.317306      3.022964       5.673990      -1.851893      6.509255      19.01245 8.198728 16.62532 7.789758 2.387127       11.30926 
1 1 1 9  29 0  o 110.4927 4.637322 123.1289       10.20879      123.1289       10.20879      123.1289       10.20879      110.4927 4.637322 110.4927 4.637322 0.000000       0.000000 
1 1 1 9  29 1  f 63.35558 4.629406 41.26023       5.768215      51.17855       8.352647      31.34190       7.955913      71.16346 5.868634 55.54769 7.161336 15.61577       9.258812 
1 1 1 9  29 2  o 49.13240 5.849561 25.32715       5.580475      30.81765       8.267632      19.83665       7.495420      55.03099 7.511797 43.23382 8.968968 11.79716       11.69912 
1 1 1 9  29 3  o 105.4163 3.211542 111.9354       6.765715      106.1969       9.535762      117.6738       9.599521      102.6968 4.642677 108.1358 4.438644 -5.438972      6.423084 
1 1 1 9  29 4  o 103.4342 3.333712 107.8264       6.896778      109.5266       9.741212      106.0552       9.762465      104.2741 4.670963 102.5944 4.757798 1.679756       6.667424 
1 1 1 9  29 5  o 54.03754 5.619616 30.64054       5.802220      37.71797       8.274716      23.55602       8.140111      60.92284 6.791145 47.15226 8.955482 13.77058       11.23923 
1 1 1 9  29 6  o 74.92952 4.317103 56.92410       6.482334      54.49411       8.593520      59.35409       9.705790      73.36906 5.856366 76.48997 6.344485 -3.120918      8.634206 
1 1 1 9  29 7  o 22.83236 6.905160 -0.1089599E-01 5.632192      -1.269546      8.260548      1.247584       7.651280      22.36958 9.770813 23.29514 9.759926 -0.9255619     13.81032 
1 1 1 9  29 8  o 104.5705 3.650595 110.3768       7.630026      112.0771       10.46383      108.6057       11.10852      105.4286 4.962523 103.7125 5.355440 1.716034       7.301190 
1 1 1 9  29 9  o 145.0659 3.807367 213.5982       11.00934      243.3532       15.99684      183.8432       15.12545      155.2808 5.150940 134.8510 5.608208 20.42981       7.614734 
1 1 1 9  29 10 o 92.98364 4.388611 87.77718       8.168448      89.47746       12.39791      86.00604       10.64803      93.81344 6.607745 92.15385 5.777312 1.659592       8.777222 
1 1 1 9  29 11 o 62.22931 6.118199 39.94251       7.637110      43.37142       11.44150      36.52069       10.10961      64.86759 8.819116 59.59103 8.482491 5.276562       12.23640 
1 1 1 9  29 12 o 21.11384 6.920760 -7.488335      6.961956      -6.755795      10.70471      -8.225125      8.905238      22.69358 10.39001 19.53410 9.145241 3.159487       13.84152 
1 1 1 9  29 13 o 33.52494 8.557724 10.34340       7.410406      9.982086       11.37774      10.70471       9.500339      33.81968 12.58701 33.23021 11.59766 0.5894623      17.11545 
1 1 1 9  29 14 o 59.32512 7.309645 38.82316       8.062181      53.37476       10.84640      24.26447       11.93741      72.03657 7.528397 46.61367 12.53184 25.42290       14.61929 
1 1 1 9  29 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  29 16 o 100.1508 3.969589 102.1587       7.955913      95.00338       10.78972      109.3141       11.70362      96.64874 5.581925 103.6528 5.645587 -7.004105      7.939178 
1 1 1 9  29 17 o 36.66189 7.697786 14.63661       6.075682      12.56085       8.338477      16.70529       8.841478      34.33893 10.86019 38.98485 10.91238 -4.645920      15.39557 
1 1 1 9  29 18 o 63.46679 5.148341 42.56378       6.422115      29.56369       8.458915      55.57096       9.670367      53.35489 7.927028 73.57868 6.571446 -20.22379      10.29668 
1 1 1 9  29 19 o 50.35957 6.469005 27.51627       6.254921      33.72230       8.593520      21.31023       9.096521      56.98188 7.540573 43.73725 10.51341 13.24464       12.93801 
1 1 1 9  29 20 o 42.17686 7.539759 19.95709       6.393777      18.49059       9.450747      21.42358       8.607689      40.45154 11.26884 43.90219 10.02024 -3.450649      15.07952 
1 1 1 9  29 21 o 18.99832 6.342562 -9.287803      6.375357      -4.943576      9.408240      -13.63061      8.607689      21.29033 9.744617 16.70630 8.121256 4.584032       12.68512 
1 1 1 9  29 22 o 32.11342 9.404027 8.062181       10.31506      -3.751961      10.46383      19.87916       17.77505      22.98087 10.44222 41.24597 15.64299 -18.26511      18.80805 
1 1 1 9  29 23 o 62.99085 5.706120 42.47168       7.141194      37.49835       10.13086      47.45210       10.07418      59.02863 8.581312 66.95307 7.523317 -7.924446      11.41224 
1 1 1 9  29 24 o 44.99395 7.566365 23.01051       7.445828      33.38225       8.869816      12.64586       11.96575      55.76267 7.953185 34.22523 12.87425 21.53745       15.13273 
1 1 1 9  29 25 o 21.79245 7.000372 -3.017296      6.829475      -0.2333640     8.012589      -5.801512      11.06602      21.49308 9.494473 22.09183 10.28960 -0.5987530     14.00074 
1 1 1 9  29 26 o 45.89654 8.585838 21.50151       11.61861      36.14521       9.054014      6.855688       21.40233      57.61881 7.856821 34.17427 15.26882 23.44455       17.17168 
1 1 1 9  29 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  29 28 o 46.56879 6.946342 26.91408       6.275465      23.75439       8.919409      30.08086       8.827310      43.14931 10.43481 49.98828 9.171774 -6.838970      13.89268 
1 1 1 9  29 29 o 34.90445 6.706108 15.40174       5.239001      21.69988       6.944952      9.110690       7.842561      42.43230 8.483461 27.37660 10.38838 15.05570       13.41222 
1 1 1 9  29 30 o 64.61822 4.353157 46.85700       5.513172      53.27557       7.318307      40.43134       8.246379      70.02936 5.225171 59.20708 6.964014 10.82228       8.706313 
1 1 1 9  29 31 o 53.31723 4.873158 33.60187       5.132733      36.03186       6.733126      31.17188       7.750463      56.26302 5.983616 50.37144 7.693311 5.891575       9.746317 
1 1 1 9  29 32 o 20.97976 6.082873 4.381774       4.401611      8.522675       5.928325      0.2447701      6.508547      24.25823 9.074340 17.70129 8.103192 6.556946       12.16575 
1 1 1 9  30 0  o 47.46087 9.762662 25.44050       8.189702      25.44050       8.189702      25.44050       8.189702      47.46087 9.762662 47.46087 9.762662 0.000000       0.000000 
1 1 1 9  30 1  o 26.67922 6.929475 4.011962       5.450119      -3.369397      7.622942      11.39190       7.792970      20.12366 9.048132 33.23478 10.49770 -13.11112      13.85895 
1 1 1 9  30 2  o 66.25401 4.716896 45.30549       6.108272      33.66563       8.529759      56.95244       8.742295      57.47900 7.419892 75.02901 5.825943 -17.55001      9.433791 
1 1 1 9  30 3  f 42.04293 6.991310 19.01485       5.843310      23.21597       8.062181      14.81373       8.465999      46.81049 8.931766 37.27537 10.75812 9.535122       13.98262 
1 1 1 9  30 4  o 181.2887 2.875203 330.7762       10.42133      317.0322       14.57285      344.5201       14.90582      177.5104 4.104788 185.0670 4.027143 -7.556625      5.750405 
1 1 1 9  30 5  o 120.8474 3.254884 148.3498       7.835476      122.4205       10.61261      174.2791       11.51943      110.1588 4.816960 131.5361 4.378808 -21.37731      6.509767 
1 1 1 9  30 6  o 161.1566 3.022253 261.6313       9.734127      257.5222       13.89274      265.6694       13.65187      159.8826 4.344668 162.4306 4.202369 -2.547958      6.044505 
1 1 1 9  30 7  o 81.07735 4.486074 66.84951       7.261631      71.76617       10.30797      61.96828       10.23004      84.09363 6.128867 78.06107 6.552590 6.032562       8.972149 
1 1 1 9  30 8  o 86.62302 4.577118 76.30025       7.927575      76.30025       11.90907      76.22942       10.47092      86.55264 6.879672 86.69339 6.039052 -0.1407547     9.154236 
1 1 1 9  30 9  o 47.65367 7.248475 24.69663       6.979667      35.79807       9.826226      13.59519       9.911241      59.02143 8.324287 36.28592 11.86877 22.73551       14.49695 
1 1 1 9  30 10 f 57.11817 7.082644 36.08853       7.530843      51.95785       10.38590      20.21921       10.90307      71.27102 7.286204 42.96532 12.14770 28.30569       14.16529 
1 1 1 9  30 11 o 43.57521 8.908084 21.09061       8.218040      18.74563       11.12269      23.43558       12.10744      41.33092 12.44230 45.81949 12.75167 -4.488564      17.81617 
1 1 1 9  30 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  30 13 o 42.96337 8.222726 20.44592       7.396237      25.58219       10.23713      15.31673       10.69054      48.14253 10.88619 37.78421 12.32655 10.35831       16.44545 
1 1 1 9  30 14 o 55.44125 7.484992 33.58061       8.033843      36.66238       12.22079      30.49885       10.42841      57.89844 10.95232 52.98405 10.20525 4.914387       14.96998 
1 1 1 9  30 15 o 55.20477 7.270884 33.21930       7.750463      35.88308       11.44858      30.55552       10.44258      57.43935 10.34299 52.97020 10.22182 4.469143       14.54177 
1 1 1 9  30 16 o 61.81748 5.911961 39.98502       7.204955      35.47926       10.87473      44.48368       9.457831      57.99407 9.375731 65.64090 7.204221 -7.646832      11.82392 
1 1 1 9  30 17 o 23.23383 7.289905 -1.940449      6.760755      -1.434615      10.22296      -2.446284      8.855647      24.37568 10.75172 22.09198 9.847406 2.283693       14.57981 
1 1 1 9  30 18 o 78.69884 4.858569 64.63206       7.729208      76.15857       12.19954      53.09137       9.486169      85.68178 7.119099 71.71590 6.613714 13.96587       9.717138 
1 1 1 9  30 19 o 24.50217 6.851415 -1.511836      6.096936      -15.08294      8.090520      12.05785       9.124859      15.52378 7.620786 33.48056 11.38820 -17.95678      13.70283 
1 1 1 9  30 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  30 21 o 53.19543 6.709996 31.38441       7.036344      25.78764       8.983169      36.98118       10.83223      47.95813 9.704760 58.43274 9.268972 -10.47461      13.41999 
1 1 1 9  30 22 o 25.71628 7.654571 3.117897       6.779175      -0.7382067     8.558097      6.973290       10.52051      22.20340 9.809775 29.22915 11.75322 -7.025751      15.30914 
1 1 1 9  30 23 o 52.08996 7.481719 31.78115       7.622942      25.24922       11.17937      38.30599       10.35756      45.20613 12.11568 58.97379 8.781499 -13.76765      14.96344 
1 1 1 9  30 24 o 28.98709 7.983448 8.501422       6.718957      11.37065       10.17337      5.635026       8.777717      31.68239 11.88016 26.29179 10.66787 5.390596       15.96690 
1 1 1 9  30 25 o 39.57065 8.359633 20.97726       7.757547      29.56369       10.59135      12.39082       11.32814      47.68762 11.26966 31.45367 12.35025 16.23395       16.71927 
1 1 1 9  30 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  30 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  30 28 o 25.47565 6.579517 4.674365       5.413280      13.29056       6.741627      -3.940409      8.473083      31.96923 9.699360 18.98207 8.892840 12.98717       13.15903 
1 1 1 9  30 29 o 18.38336 6.074793 -2.563179      5.548594      -4.175615      6.956288      -0.9507422     8.643111      16.73510 7.890512 20.03162 9.238629 -3.296516      12.14959 
1 1 1 9  30 30 o 19.05367 6.043085 -2.191241      5.243960      -13.46058      6.617648      9.082352       8.133026      12.74957 6.360789 25.35778 10.27696 -12.60822      12.08617 
1 1 1 9  30 31 o 19.99848 6.245695 3.343184       5.013005      5.844018       6.869856      0.8423492      7.304138      21.50216 9.138878 18.49480 8.515616 3.007366       12.49139 
1 1 1 9  31 0  o 25.64004 13.50557 9.989170       9.103605      9.989170       9.103605      9.989170       9.103605      25.64004 13.50557 25.64004 13.50557 -0.000000      0.000000 
1 1 1 9  31 1  o 75.30403 4.770600 57.73174       7.183701      59.02112       10.16628      56.44944       10.15211      76.15685 6.674569 74.45121 6.817965 1.705643       9.541201 
1 1 1 9  31 2  o 51.74429 6.753745 29.26614       6.703371      41.13271       9.741212      17.39958       9.209873      63.39376 7.683101 40.09481 11.10956 23.29895       13.50749 
1 1 1 9  31 3  o 70.02567 4.961076 50.05212       6.942119      52.82925       9.840395      47.26791       9.790804      72.00761 6.832885 68.04371 7.194496 3.963905       9.922152 
1 1 1 9  31 4  o 31.26688 8.070591 8.324308       6.731000      4.339267       9.394071      12.31289       9.642029      27.66023 11.11289 34.87352 11.70647 -7.213285      16.14118 
1 1 1 9  31 5  o 33.79572 7.668931 7.913406       7.289969      21.18979       9.670367      -5.357312      10.91724      44.04649 10.99894 23.54494 10.68987 20.50155       15.33786 
1 1 1 9  31 6  o 75.63065 6.591836 60.02711       9.613690      48.13930       14.79956      71.90786       12.27038      67.50885 10.96120 83.75246 7.325388 -16.24361      13.18367 
1 1 1 9  31 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  31 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  31 9  o 49.13829 8.454784 27.48084       8.543928      16.47150       11.59027      38.49018       12.55377      39.04647 12.83479 59.23012 11.00917 -20.18365      16.90957 
1 1 1 9  31 10 o 44.76373 7.630622 21.88408       7.601687      8.055097       10.37882      35.71305       11.11561      31.21240 11.91941 58.31506 9.530650 -27.10266      15.26124 
1 1 1 9  31 11 o 91.33614 4.422227 85.22675       8.083434      81.96787       11.22896      88.48563       11.61861      89.58523 6.267195 93.08704 6.240724 -3.501808      8.844454 
1 1 1 9  31 12 o 91.63210 4.180229 85.72267       7.665448      79.48829       10.48509      91.95705       11.17937      88.28777 5.938018 94.97643 5.885339 -6.688667      8.360458 
1 1 1 9  31 13 f 55.61560 6.277390 33.31141       6.669365      25.08628       9.287803      41.54361       9.578268      47.86059 10.02542 63.37062 7.557341 -15.51003      12.55478 
1 1 1 9  31 14 o 50.72903 6.442140 27.64379       6.356938      31.27106       8.954830      24.01651       9.025676      54.73469 8.180216 46.72337 9.954332 8.011314       12.88428 
1 1 1 9  31 15 o 39.47447 7.562541 17.42792       6.155029      14.79247       8.508506      20.07044       8.898154      36.56433 10.85716 42.38462 10.53044 -5.820286      15.12508 
1 1 1 9  31 16 o 39.28003 7.678556 17.45625       6.279008      14.26113       8.189702      20.64428       9.521592      35.84779 10.65334 42.71227 11.06107 -6.864479      15.35711 
1 1 1 9  31 17 o 38.21063 8.777417 16.12436       7.991336      18.83065       9.642029      13.41808       12.74505      40.46330 11.41826 35.95797 13.33400 4.505333       17.55483 
1 1 1 9  31 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  31 19 o 42.45574 9.283743 21.48734       9.046929      29.95334       13.41808      13.01426       12.12869      49.76400 13.24463 35.14749 13.01274 14.61651       18.56749 
1 1 1 9  31 20 o 30.81784 8.378661 9.018591       7.445828      8.416408       12.02951      9.620775       8.770633      31.22511 12.56288 30.41058 11.08972 0.8145256      16.75732 
1 1 1 9  31 21 o 26.91079 7.713757 5.415406       6.464623      6.656613       9.493254      4.173490       8.777717      28.14874 11.22525 25.67284 10.58310 2.475903       15.42751 
1 1 1 9  31 22 o 52.58359 6.945927 32.29832       7.037052      26.92825       10.51342      37.66838       9.358648      46.63448 11.36106 58.53270 7.994376 -11.89822      13.89185 
1 1 1 9  31 23 f 49.10127 6.830565 28.41600       6.502879      38.74523       8.997337      18.07969       9.386987      59.83883 7.517976 38.36372 11.40643 21.47511       13.66113 
1 1 1 9  31 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  31 25 o 34.96431 7.366512 14.91999       6.282550      22.40125       8.026759      7.431659       9.670367      42.68252 9.631262 27.24610 11.14903 15.43642       14.73302 
1 1 1 9  31 26 o 26.64645 7.392870 8.140111       5.853937      5.260962       8.281801      11.01642       8.274716      24.21232 10.14960 29.08057 10.75192 -4.868250      14.78574 
1 1 1 9  31 27 o 30.42298 7.924307 13.24096       6.376066      11.93741       8.926493      14.55160       9.110690      29.25222 11.08804 31.59374 11.32404 -2.341522      15.84861 
1 1 1 9  31 28 o 34.94734 8.113688 19.24864       6.561680      20.36799       9.344479      18.12928       9.209873      36.00837 11.50775 33.88632 11.44113 2.122051       16.22738 
1 1 1 9  31 29 o 22.22343 6.594925 3.007378       5.647069      11.34940       7.622942      -5.332517      8.331393      27.23113 10.26862 17.21574 8.278138 10.01538       13.18985 
1 1 1 9  32 0  o 86.08037 13.81025 82.03871       22.26664      82.03871       22.26664      82.03871       22.26664      86.08037 13.81025 86.08037 13.81025 0.000000       0.000000 
1 1 1 9  32 1  o 46.54386 9.448250 24.39908       9.833311      12.99301       13.43933      35.79807       14.36032      36.90992 13.69130 56.17779 13.02406 -19.26787      18.89650 
1 1 1 9  32 2  o 62.01897 7.232475 41.28149       8.735210      43.37142       12.00117      39.19156       12.70963      64.27128 9.336343 59.76666 11.04841 4.504616       14.46495 
1 1 1 9  32 3  f 70.39747 6.121787 52.95677       8.366816      36.06728       11.34940      69.84626       12.29872      58.51478 9.697890 82.28016 7.473687 -23.76538      12.24357 
1 1 1 9  32 4  o 38.68211 8.762074 16.22355       7.672533      14.99793       10.63386      17.44917       11.05893      37.47491 12.29383 39.88932 12.48829 -2.414410      17.52415 
1 1 1 9  32 5  o 53.59393 7.491172 31.00894       7.856731      33.09178       10.51342      28.92608       11.68946      56.19217 9.354884 50.99567 11.70285 5.196499       14.98234 
1 1 1 9  32 6  o 24.88149 7.515935 0.4515672      6.686368      -2.123938      9.422408      3.027215       9.486169      23.18730 10.26257 26.57568 10.98348 -3.388384      15.03187 
1 1 1 9  32 7  o 56.59436 7.204400 34.40950       7.906322      31.41275       11.89491      37.39917       10.41424      53.25589 11.49468 59.93282 8.688262 -6.676929      14.40880 
1 1 1 9  32 8  o 30.45175 8.013203 0.3351686      8.303054      -17.34998      12.14995      18.02301       11.32106      20.43410 9.867392 40.46939 12.62855 -20.03528      16.02641 
1 1 1 9  32 9  o 51.92466 6.674103 29.12445       6.674324      28.82690       9.351563      29.42200       9.528677      51.66931 9.396602 52.18000 9.480426 -0.5106926     13.34821 
1 1 1 9  32 10 o 48.11226 7.281281 25.51135       6.805388      23.09553       9.719957      27.92717       9.528677      45.58402 10.81123 50.64050 9.756310 -5.056473      14.56256 
1 1 1 9  32 11 o 83.00383 4.284544 70.57597       7.119940      68.20974       9.790804      72.97054       10.32923      81.62387 5.997513 84.38378 6.120387 -2.759911      8.569089 
1 1 1 9  32 12 o 76.97765 4.437614 60.88435       6.830184      60.94811       9.479085      60.82059       9.840395      77.05862 6.150568 76.89668 6.398452 0.1619339      8.875228 
1 1 1 9  32 13 o 45.28487 7.546535 22.64920       7.059722      29.74081       9.301972      15.55760       10.61969      53.04985 8.767200 37.51988 12.28564 15.52997       15.09307 
1 1 1 9  32 14 o 35.14562 8.528402 13.34723       7.261631      11.71779       9.812057      14.98375       10.71179      33.48115 11.77662 36.81009 12.33879 -3.328941      17.05680 
1 1 1 9  32 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  32 16 o 31.12606 8.386139 9.004422       7.382068      4.976165       10.00334      13.03551       10.85348      27.67223 11.33403 34.57990 12.36321 -6.907665      16.77228 
1 1 1 9  32 17 o 99.46547 3.841425 101.8045       7.644195      99.82085       10.66220      103.7882       10.95267      98.50697 5.411901 100.4240 5.453212 -1.917015      7.682851 
1 1 1 9  32 18 o 56.32541 5.896966 34.95501       6.464623      27.57294       8.558097      42.33708       9.691620      49.69428 8.935992 62.95654 7.697072 -13.26226      11.79393 
1 1 1 9  32 19 o 36.26840 6.824984 13.75813       6.235793      27.15496       8.551013      0.3632941      9.075267      49.14489 9.038057 23.39190 10.22913 25.75299       13.64997 
1 1 1 9  32 20 o 24.24516 7.280734 2.495167       6.264131      4.663030       8.175533      0.3275881      9.493254      25.08707 10.25596 23.40325 10.33690 1.683817       14.56147 
1 1 1 9  32 21 o 29.95202 7.812659 8.961915       6.627566      1.208619       8.565183      16.71238       10.11669      23.09748 10.01812 36.80655 11.99115 -13.70906      15.62532 
1 1 1 9  32 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  32 23 o 24.72321 7.970296 -2.072930      9.585353      11.97992       12.88674      -16.12436      14.19029      29.35579 12.49795 20.09062 9.894626 9.265162       15.94059 
1 1 1 9  32 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  32 25 o 25.45755 7.894161 4.555345       7.792970      7.353730       10.63386      1.754835       11.40607      26.76847 11.37343 24.14663 10.95063 2.621838       15.78832 
1 1 1 9  32 26 o 26.36002 7.535426 8.742295       6.241460      6.136609       8.813140      11.34940       8.834394      24.35052 10.35032 28.36952 10.95452 -4.019007      15.07085 
1 1 1 9  32 27 o 25.86250 5.912777 5.023631       4.954203      17.79631       6.594978      -7.750463      7.396237      36.20105 9.109422 15.52394 7.540702 20.67712       11.82555 
1 1 1 9  32 28 o 18.11638 5.712999 -1.123605      4.646027      5.922657       6.358355      -8.168448      6.775633      21.88270 9.011729 14.35006 7.024397 7.532637       11.42600 
1 1 1 9  33 0  o 19.78388 12.01424 4.373273       8.657280      4.373273       8.657280      4.373273       8.657280      19.78388 12.01424 19.78388 12.01424 0.000000       0.000000 
1 1 1 9  33 1  o 31.72889 8.000267 9.592437       6.485876      7.155363       9.216957      12.02243       9.124859      29.47691 11.23950 33.98087 11.38819 -4.503958      16.00053 
1 1 1 9  33 2  f 35.08825 8.020516 12.91508       6.546094      9.649114       9.408240      16.18812       9.103605      31.83742 11.49791 38.33908 11.18539 -6.501661      16.04103 
1 1 1 9  33 3  o 33.60759 8.011693 11.34940       6.637485      5.851812       9.004422      16.85407       9.755382      28.15951 11.02092 39.05567 11.63135 -10.89616      16.02339 
1 1 1 9  33 4  o 68.30991 5.348731 48.58562       7.219123      56.16605       10.05293      41.00519       10.35756      73.89368 6.802295 62.72615 8.256179 11.16753       10.69746 
1 1 1 9  33 5  o 69.62172 5.822572 50.58346       8.133026      52.43252       12.77339      48.73440       10.06710      70.59686 9.046710 68.64658 7.332557 1.950272       11.64514 
1 1 1 9  33 6  o 39.41562 7.919393 17.20121       6.775633      11.42024       9.514507      22.98926       9.649114      33.41543 11.61166 45.41580 10.77203 -12.00037      15.83879 
1 1 1 9  33 7  o 77.37721 4.764104 61.76283       7.367898      58.31266       10.27255      65.20590       10.57010      75.18398 6.831609 79.57044 6.641977 -4.386467      9.528208 
1 1 1 9  33 8  o 79.67323 4.829041 65.63097       7.686701      60.96936       10.71179      70.29259       11.03059      76.78585 6.975108 82.56062 6.680301 -5.774765      9.658082 
1 1 1 9  33 9  o 79.85938 4.689303 66.52362       7.417490      52.68048       10.11669      80.33842       10.84640      71.28810 7.095639 88.43066 6.132713 -17.14256      9.378607 
1 1 1 9  33 10 o 26.98627 7.575275 0.6160697      7.105771      12.47583       10.03876      -11.24313      10.05293      34.38375 11.92928 19.58880 9.339784 14.79496       15.15055 
1 1 1 9  33 11 o 29.49651 8.136010 6.495794       7.141194      10.47092       9.762465      2.520671       10.42841      32.28473 11.70714 26.70828 11.30140 5.576452       16.27202 
1 1 1 9  33 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  33 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  33 14 o 35.11256 7.960865 13.73688       6.546094      8.565183       8.919409      18.91566       9.578268      29.85958 11.13831 40.36555 11.37715 -10.50597      15.92173 
1 1 1 9  33 15 o 64.92957 5.396873 45.07879       6.982501      37.86674       9.457831      52.29082       10.27963      59.54420 7.941858 70.31493 7.309711 -10.77072      10.79375 
1 1 1 9  33 16 o 41.29919 7.454348 20.13420       6.335684      13.86440       8.593520      26.40400       9.309056      34.62212 11.03273 47.97626 10.02737 -13.35413      14.90870 
1 1 1 9  33 17 o 56.75381 6.310770 36.37191       6.806805      45.63138       9.719957      27.10536       9.528677      65.25903 7.447213 48.24859 10.19030 17.01044       12.62154 
1 1 1 9  33 18 o 33.55556 7.956750 13.61644       6.300971      13.96358       9.068183      13.26222       8.749379      33.90788 11.35276 33.20323 11.15142 0.7046509      15.91350 
1 1 1 9  33 19 f 29.36382 8.097823 8.430575       6.897486      6.779883       9.776634      10.08127       9.734127      28.05165 11.30921 30.67600 11.59314 -2.624353      16.19565 
1 1 1 9  33 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  33 21 o 29.09820 12.34317 16.43608       12.49000      16.43608       12.49000      ?              ?             29.09820 12.34317 ?        ?        ?              ?        
1 1 1 9  33 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  33 23 o 28.75243 7.460668 10.55593       5.698786      7.183701       7.467082      13.92108       8.614774      25.47906 10.01981 32.02579 11.05665 -6.546732      14.92134 
1 1 1 9  33 24 o 30.04952 7.587905 12.83006       5.804345      10.93141       7.410406      14.72871       8.933578      28.41970 10.21021 31.67934 11.22750 -3.259642      15.17581 
1 1 1 9  33 25 o 15.22367 5.293457 -10.58427      5.591102      -9.365732      6.906697      -11.80281      8.791886      14.49178 7.093355 15.95557 7.859201 -1.463788      10.58691 
1 1 1 9  33 26 o 24.09171 6.939694 7.346645       5.460038      9.734127       7.091603      4.962705       8.303054      25.89606 9.863285 22.28735 9.764887 3.608707       13.87939 
1 1 1 9  33 27 o 23.46134 6.989973 8.373900       5.647778      9.882903       7.814223      6.865606       8.154280      24.57465 10.03335 22.34803 9.735031 2.226625       13.97995 
1 1 1 9  34 0  o 18.86061 11.91151 2.623397       9.344479      2.623397       9.344479      2.623397       9.344479      18.86061 11.91151 18.86061 11.91151 0.000000       0.000000 
1 1 1 9  34 1  o 29.46489 7.898194 7.516674       6.427783      5.829850       8.983169      9.202788       9.195704      27.90928 10.98542 31.02049 11.35105 -3.111206      15.79639 
1 1 1 9  34 2  o 38.77873 7.935152 16.86824       6.589310      20.41050       9.401155      13.33306       9.238212      42.52957 10.98018 35.02789 11.45871 7.501675       15.87030 
1 1 1 9  34 3  o 61.50627 5.795963 39.87167       7.098687      34.96209       9.889987      44.78832       10.18754      57.55779 8.591354 65.45476 7.782120 -7.896969      11.59193 
1 1 1 9  34 4  o 31.92358 8.267814 9.925409       6.913781      8.876901       9.245295      10.98100       10.27963      30.69424 11.36172 33.15293 12.01409 -2.458687      16.53563 
1 1 1 9  34 5  o 56.08716 7.137790 34.89833       7.658363      26.42525       11.12269      43.36433       10.53468      48.00873 11.67925 64.16559 8.208978 -16.15686      14.27558 
1 1 1 9  34 6  o 70.85052 6.623776 53.90610       9.422408      56.77533       14.82081      51.03687       11.64695      72.25999 10.25520 69.44107 8.386209 2.818916       13.24755 
1 1 1 9  34 7  o 95.20293 7.744882 100.5293       14.77122      93.94070       19.77997      107.1179       21.94784      92.27640 10.71779 98.12946 11.18310 -5.853058      15.48976 
1 1 1 9  34 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  34 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  34 10 o 34.36136 8.096081 12.95050       6.654488      16.38649       9.266549      9.521592       9.557014      37.68381 11.35926 31.03891 11.53921 6.644896       16.19216 
1 1 1 9  34 11 o 20.64714 6.681139 -5.269464      6.339935      -1.331889      8.806056      -9.209873      9.117774      22.35447 9.904112 18.93981 8.969895 3.414658       13.36228 
1 1 1 9  34 12 o 22.99975 7.121964 -0.1582681     6.276175      0.6908821      8.515590      -1.007418      9.216957      23.11333 10.00651 22.88616 10.13702 0.2271690      14.24393 
1 1 1 9  34 13 o 34.73272 7.809219 12.02951       7.105771      2.445576       10.87473      21.60778       9.153197      26.51526 11.39059 42.95018 10.68598 -16.43492      15.61844 
1 1 1 9  34 14 o 21.07477 6.745392 -3.649235      6.256337      0.3320514      8.678535      -7.630026      9.011506      22.92552 10.01429 19.22401 9.039647 3.701515       13.49078 
1 1 1 9  34 15 o 45.67562 7.250539 25.08628       6.526966      18.71021       8.820225      31.46235       9.627860      39.22534 10.87311 52.12590 9.594618 -12.90056      14.50108 
1 1 1 9  34 16 o 22.97062 7.381506 -2.379690      7.431659      -4.996710      9.819141      0.2374731      11.15812      21.04557 9.759849 24.89567 11.07664 -3.850100      14.76301 
1 1 1 9  34 17 o 26.41930 8.147843 2.550426       8.147196      -0.4726790     10.42133      5.574099       12.51834      23.92016 10.67184 28.91845 12.31508 -4.998293      16.29569 
1 1 1 9  34 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  34 19 o 32.94495 6.884814 6.545386       7.821308      34.88417       10.66928      -21.79906      11.44150      49.48684 11.06066 16.40306 8.201491 33.08377       13.76963 
1 1 1 9  34 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  34 21 o 31.79765 7.398111 13.34723       5.766797      7.084518       7.679617      19.61703       8.607689      25.47226 10.11558 38.12305 10.79830 -12.65079      14.79622 
1 1 1 9  34 22 o 56.90411 5.572620 38.61062       6.293177      31.69613       8.565183      45.52511       9.224042      51.21242 8.362408 62.59581 7.367940 -11.38339      11.14524 
1 1 1 9  34 23 o 33.47694 7.331770 16.20938       5.472082      13.00009       7.275800      19.42575       8.175533      30.24417 10.16909 36.70970 10.56452 -6.465523      14.66354 
1 1 1 9  34 24 o 18.35657 5.967213 -0.7906321     5.106521      0.9521592      6.767839      -2.532715      7.651280      18.87745 8.504586 17.83569 8.372726 1.041763       11.93443 
1 1 1 9  34 25 o 20.82130 6.442717 3.926240       5.220581      0.8742295      7.374983      6.978250       7.389152      18.81882 8.619339 22.82379 9.578172 -4.004961      12.88543 
1 1 1 9  35 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  35 1  o 31.68029 13.96577 2.239416       17.21538      2.239416       17.21538      ?              ?             31.68029 13.96577 ?        ?        ?              ?        
1 1 1 9  35 2  o 31.09235 8.487418 7.941744       7.835476      2.574514       11.53359      13.30472       10.60552      27.45678 11.76060 34.72791 12.24065 -7.271126      16.97484 
1 1 1 9  35 3  o 28.57305 8.389972 4.515672       7.970083      7.346645       11.03768      1.688241       11.49109      30.20312 12.08267 26.94297 11.64369 3.260151       16.77994 
1 1 1 9  35 4  o 74.98260 6.748607 61.53612       10.25838      70.05880       16.57777      53.01345       12.08619      79.62614 10.40975 70.33905 8.591378 9.287094       13.49721 
1 1 1 9  35 5  o 29.52897 7.574157 5.259546       6.868440      -6.977541      9.386987      17.49876       10.03168      20.23873 9.445978 38.81922 11.84250 -18.58049      15.14831 
1 1 1 9  35 6  o 53.93383 7.303391 32.56044       7.700871      31.61820       11.54776      33.49560       10.20170      52.22989 11.37130 55.63777 9.167968 -3.407883      14.60678 
1 1 1 9  35 7  o 23.59665 7.324583 -0.4748043     6.693452      1.401318       9.195704      -2.350643      9.734127      24.39460 10.47681 22.79869 10.23887 1.595907       14.64917 
1 1 1 9  35 8  o 26.10677 7.581683 2.481706       6.794761      -4.636108      9.564099      9.599521       9.656199      21.36295 9.797537 30.85058 11.57307 -9.487633      15.16337 
1 1 1 9  35 9  o 22.46899 7.010160 -3.064054      6.551762      4.561012       9.245295      -10.69054      9.287803      26.47459 10.87862 18.46339 8.844492 8.011204       14.02032 
1 1 1 9  35 10 o 33.61930 8.182472 12.75213       6.712580      10.26547       9.394071      15.23171       9.592437      31.22250 11.46815 36.01609 11.67446 -4.793587      16.36494 
1 1 1 9  35 11 o 24.02923 7.272402 1.081806       6.432034      -3.570597      8.990252      5.734209       9.202788      20.99491 9.576900 27.06355 10.94689 -6.068632      14.54480 
1 1 1 9  35 12 f 33.45868 8.893516 13.05677       8.232210      7.849646       10.63386      18.27097       12.56793      29.20320 11.78586 37.71415 13.32186 -8.510954      17.78703 
1 1 1 9  35 13 o 22.52497 7.340022 -4.980416      7.863815      -1.378647      10.04585      -8.579351      12.10036      23.00552 10.36306 22.04442 10.39762 0.9611015      14.68004 
1 1 1 9  35 14 f 38.65247 9.002940 18.87316       8.104689      19.36907       10.79680      18.38432       12.08619      39.21638 12.35173 38.08855 13.10139 1.127834       18.00588 
1 1 1 9  35 15 o 33.25417 15.53142 25.54677       25.43342      25.54677       25.43342      ?              ?             33.25417 15.53142 ?        ?        ?              ?        
1 1 1 9  35 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  35 17 o 21.65643 6.883883 -0.7679617     6.345603      -5.256712      8.543928      3.720080       9.386987      18.85351 8.850013 24.45936 10.54650 -5.605848      13.76777 
1 1 1 9  35 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  35 19 o 23.48897 6.612460 1.103059       5.705871      11.97283       7.700871      -9.762465      8.416408      30.24821 10.45270 16.72972 8.101823 13.51849       13.22492 
1 1 1 9  35 20 o 22.46946 6.845841 3.647110       5.628649      5.013713       7.693786      2.279798       8.218040      23.22191 9.760740 21.71701 9.601570 1.504892       13.69168 
1 1 1 9  35 21 o 25.01699 7.053843 7.084518       5.603854      11.19354       7.566265      2.977623       8.274716      28.21860 10.29924 21.81538 9.641180 6.403223       14.10769 
1 1 1 9  35 22 o 24.78468 6.982890 8.331393       5.202870      7.346645       7.091603      9.309056       7.615856      23.90298 9.633833 25.66638 10.11100 -1.763401      13.96578 
1 1 1 9  35 23 o 20.15222 6.253744 3.382857       4.838726      3.430324       6.633943      3.336099       7.046261      20.05939 8.758986 20.24505 8.928461 -0.1856556     12.50749 
1 1 1 9  36 0  o 18.21938 12.37195 -3.373647      13.00009      -3.373647      13.00009      -3.373647      13.00009      18.21938 12.37195 18.21938 12.37195 0.000000       0.000000 
1 1 1 9  36 1  o 35.62881 8.898536 14.40283       8.019674      11.60444       11.66112      17.20829       11.00934      33.31047 12.65942 37.94715 12.50899 -4.636688      17.79707 
1 1 1 9  36 2  o 65.09273 6.658724 46.79324       8.671450      50.20798       12.71671      43.38559       11.80281      67.46310 9.424936 62.72234 9.408773 4.740761       13.31745 
1 1 1 9  36 3  o 31.08080 8.556309 5.242543       8.777717      16.91783       11.54068      -6.432742      13.22680      37.65812 12.80731 24.50349 11.34965 13.15463       17.11262 
1 1 1 9  36 4  o 46.04288 8.262489 26.28356       8.090520      38.70980       12.46167      13.85732       10.32923      57.38094 11.26007 34.70484 12.09486 22.67610       16.52498 
1 1 1 9  36 5  o 27.56365 7.884280 5.855353       6.760755      7.686701       9.691620      4.023298       9.429493      29.02958 11.41545 26.09772 10.87818 2.931856       15.76856 
1 1 1 9  36 6  o 57.01628 6.887047 37.39917       7.481250      45.82266       10.37173      28.97568       10.78264      64.95684 7.983558 49.07571 11.22446 15.88113       13.77409 
1 1 1 9  36 7  o 26.10781 7.732913 4.310929       6.793344      3.515338       9.514507      5.107229       9.698705      25.48252 10.78939 26.73310 11.08065 -1.250576      15.46583 
1 1 1 9  36 8  o 19.42440 6.633250 -13.47475      7.856731      -9.698705      10.25130      -17.25080      11.90907      19.66021 9.387535 19.18859 9.374125 0.4716206      13.26650 
1 1 1 9  36 9  o 48.83466 8.803922 30.68304       8.678535      25.99310       11.49109      35.37300       13.00717      45.02149 12.38170 52.64783 12.51917 -7.626347      17.60784 
1 1 1 9  36 10 o 27.64418 8.407043 3.038550       8.628942      -3.344601      11.57610      9.422408       12.78755      23.75397 10.84592 31.53439 12.84832 -7.780420      16.81409 
1 1 1 9  36 11 o 33.08264 9.184995 12.85132       8.891070      12.09327       11.71071      13.61644       13.38974      32.34804 12.58719 33.81724 13.37980 -1.469200      18.36999 
1 1 1 9  36 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  36 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  36 14 o 30.84122 7.511207 9.642029       6.930784      -4.349894      9.472000      23.63395       10.11669      20.15773 9.436230 41.52471 11.68890 -21.36698      15.02241 
1 1 1 9  36 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  36 16 o 26.77897 7.448449 8.465999       5.853937      8.862731       8.104689      8.076350       8.451830      27.06191 10.48351 26.49603 10.58365 0.5658798      14.89690 
1 1 1 9  36 17 o 20.47113 6.468588 -0.8735211     5.652737      -7.057597      7.722124      5.309846       8.253463      16.79406 8.049603 24.14820 10.12790 -7.354134      12.93718 
1 1 1 9  36 18 o 28.08622 7.465465 10.78972       5.717914      9.209873       7.885069      12.36957       8.281801      26.61831 10.33454 29.55413 10.77636 -2.935814      14.93093 
1 1 1 9  36 19 o 13.96040 4.906865 -13.80772      5.314805      -13.33306      7.219123      -14.28239      7.807138      13.71955 6.816366 14.20125 7.060202 -0.4817057     9.813730 
1 1 1 9  36 20 o 21.60924 6.589614 4.428532       5.185159      3.754794       7.084518      5.102270       7.573349      20.99963 9.109726 22.21885 9.523916 -1.219212      13.17923 
1 1 1 9  36 21 o 19.91506 6.326736 2.500835       5.265214      1.843392       7.176617      3.158278       7.700871      19.35163 8.735780 20.47850 9.154043 -1.126871      12.65347 
1 1 1 9  37 0  o 13.94874 9.809813 -7.630026      9.925409      -7.630026      9.925409      -7.630026      9.925409      13.94874 9.809813 13.94874 9.809813 -0.000000      0.000000 
1 1 1 9  37 1  o 43.57089 7.882257 23.61270       7.481250      35.47218       10.81806      11.74613       10.33631      54.92926 10.22879 32.21252 11.99549 22.71674       15.76451 
1 1 1 9  37 2  o 34.42407 8.249898 13.63770       7.247461      6.073557       10.07418      21.20396       10.42841      27.70496 11.36523 41.14319 11.96139 -13.43823      16.49980 
1 1 1 9  37 3  o 40.84322 8.750458 21.12603       7.800055      18.18596       10.69762      24.06610       11.35648      38.12826 12.32565 43.55817 12.42419 -5.429913      17.50092 
1 1 1 9  37 4  o 37.33043 9.736124 17.42083       9.649114      15.95433       13.89274      18.89441       13.38974      36.25069 13.80579 38.41016 13.73203 -2.159470      19.47225 
1 1 1 9  37 5  o 25.23912 8.241413 -6.005546      10.07418      1.197284       13.26222      -13.20554      15.16795      27.05278 12.05500 23.42547 11.24102 3.627314       16.48283 
1 1 1 9  37 6  o 42.78119 10.66398 28.84107       11.69654      34.21114       15.73471      23.47101       17.30748      46.93255 14.92616 38.62983 15.23456 8.302723       21.32796 
1 1 1 9  37 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  37 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  37 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  37 10 o 21.61547 7.042179 -1.538757      7.036344      -3.535174      9.812057      0.4580141      10.08835      20.57834 9.625017 22.65260 10.28242 -2.074261      14.08436 
1 1 1 9  37 11 o 42.45045 7.848137 23.95275       6.949204      30.81765       10.01042      17.09494       9.642029      49.37995 10.45617 35.52096 11.70647 13.85899       15.69627 
1 1 1 9  37 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  37 13 o 34.83460 7.807108 16.69821       6.096227      16.37232       8.678535      17.02410       8.565183      34.45070 11.09820 35.21851 10.98333 -0.7678070     15.61422 
1 1 1 9  37 14 o 20.61410 6.551450 -0.6660864     5.794427      -5.905654      7.842561      4.573764       8.529759      17.41407 8.281177 23.81412 10.15422 -6.400051      13.10290 
1 1 1 9  37 15 o 31.23069 7.728332 14.05568       6.016172      10.95267       8.097604      17.15870       8.898154      28.32893 10.60375 34.13245 11.24584 -5.803516      15.45666 
1 1 1 9  37 16 o 15.71033 5.412187 -9.195704      5.461455      -11.50526      7.566265      -6.889693      7.877984      14.74885 7.264414 16.67180 8.024673 -1.922946      10.82437 
1 1 1 9  37 17 o 21.91975 6.569763 3.298552       5.399819      -3.619480      7.389152      10.21588       7.877984      17.20280 8.117281 26.63670 10.33232 -9.433899      13.13953 
1 1 1 9  37 18 o 28.67544 7.222596 12.42624       5.594644      6.011213       7.566265      18.84482       8.246379      22.73226 9.623057 34.61862 10.77313 -11.88636      14.44519 
1 1 1 9  37 19 o 19.02396 6.126886 1.138482       5.209954      -2.052385      7.183701      4.329349       7.545012      17.12269 8.057198 20.92522 9.232363 -3.802534      12.25377 
1 1 1 9  38 0  o 28.50105 16.97007 20.38216       16.62028      20.38216       16.62028      20.38216       16.62028      28.50105 16.97007 28.50105 16.97007 0.000000       0.000000 
1 1 1 9  38 1  o 26.11505 8.462620 3.044926       10.56302      -4.489459      16.39357      10.57718       13.33306      23.94157 11.53660 28.28853 12.38429 -4.346954      16.92524 
1 1 1 9  38 2  o 30.34527 8.891400 10.06001       9.911241      19.63828       12.37665      0.4857145      15.48676      35.05272 13.11161 25.63783 12.01306 9.414890       17.78280 
1 1 1 9  38 3  o 32.03723 9.202043 14.87749       9.422408      23.93859       15.69929      5.811430       10.42841      37.94018 14.61285 26.13428 11.18816 11.80590       18.40409 
1 1 1 9  38 4  o 30.50203 8.204827 11.59027       6.937868      10.74013       9.875818      12.43333       9.741212      29.79237 11.56600 31.21170 11.64063 -1.419325      16.40965 
1 1 1 9  38 5  o 19.90861 6.659661 -6.388818      7.001628      -7.601687      9.493254      -5.178074      10.29380      19.02205 9.071114 20.79516 9.752909 -1.773111      13.31932 
1 1 1 9  38 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  38 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 9  38 8  o 24.26202 7.320700 4.817472       6.315140      2.025464       8.579351      7.608772       9.266549      22.19794 9.812776 26.32609 10.86646 -4.128147      14.64140 
1 1 1 9  38 9  o 21.49474 6.933661 -0.8040928     6.648820      -0.9932494     9.889987      -0.6152903     8.891070      21.84951 9.996561 21.13996 9.611004 0.7095528      13.86732 
1 1 1 9  38 10 o 28.89763 7.634511 9.422408       6.726750      -1.375105      8.834394      20.21921       10.15211      20.59965 9.434445 37.19562 12.00559 -16.59597      15.26902 
1 1 1 9  38 11 o 20.03045 6.589943 -2.549009      6.461080      -4.289676      8.876901      -0.8083435     9.386987      19.01489 8.950194 21.04600 9.674885 -2.031111      13.17989 
1 1 1 9  38 12 o 35.44893 8.239624 19.20613       6.755795      19.68787       9.769550      18.73146       9.337394      35.72997 11.78363 35.16788 11.52006 0.5620880      16.47925 
1 1 1 9  38 13 o 19.97050 6.426814 -2.262795      6.061513      4.920906       8.048012      -9.443663      9.068183      22.90484 9.817897 17.03617 8.296062 5.868666       12.85363 
1 1 1 9  38 14 o 28.66874 7.581059 12.63170       6.120315      5.933284       7.715039      19.33365       9.500339      23.07281 9.739710 34.26468 11.62015 -11.19187      15.16212 
1 1 1 9  38 15 o 24.97606 7.043825 8.749379       5.294969      7.700871       7.041303      9.790804       7.913406      24.06515 9.640801 25.88698 10.27214 -1.821825      14.08765 
1 1 1 9  38 16 o 18.99164 6.094415 0.3411195      5.189409      5.689576       7.552096      -5.007337      7.119940      22.06413 9.485836 15.91915 7.654181 6.144986       12.18883 
1 1 1 9  39 0  o 13.78497 9.518192 -3.068305      8.288886      -3.068305      8.288886      -3.068305      8.288886      13.78497 9.518192 13.78497 9.518192 -0.000000      0.000000 
1 1 1 9  39 1  o 18.77633 6.290249 -6.449745      6.436993      -2.981165      8.473083      -9.918325      9.698705      19.47946 9.046113 18.07321 8.742812 1.406242       12.58050 
1 1 1 9  39 2  o 24.88119 7.727161 4.209620       7.445828      7.417490       10.86057      0.9989170      10.20170      26.84615 11.45280 22.91623 10.37638 3.929924       15.45432 
1 1 1 9  39 3  o 40.76084 8.324623 24.00943       7.275800      20.63012       10.47800      27.38875       10.08835      37.13839 12.20340 44.38328 11.32582 -7.244888      16.64925 
1 1 1 9  39 4  o 25.21490 7.899840 5.100852       7.899237      8.196787       12.28455      2.003502       9.939578      27.42666 11.94805 23.00315 10.33798 4.423504       15.79968 
1 1 1 9  39 5  o 20.23316 6.821673 -5.848978      7.615856      -10.61969      10.13086      -1.076847      11.37774      18.04822 8.785200 22.41809 10.43845 -4.369869      13.64335 
1 1 1 9  39 6  o 22.33764 7.046130 0.2371188      6.789093      11.66820       10.70471      -11.19354      8.352647      28.77085 11.74439 15.90444 7.788518 12.86641       14.09226 
1 1 1 9  39 7  o 23.32496 7.048921 4.710496       5.917697      2.318054       8.501422      7.105771       8.232210      21.76994 9.677719 24.87998 10.25138 -3.110048      14.09784 
1 1 1 9  39 8  o 31.51826 7.528962 14.22571       6.074974      20.76472       8.650196      7.686701       8.536844      37.78770 10.86430 25.24883 10.42631 12.53886       15.05792 
1 1 1 9  39 9  o 23.55916 7.106337 5.860313       5.912738      5.343143       8.203872      6.376774       8.515590      23.13688 9.914772 23.98145 10.18319 -0.8445702     14.21267 
1 1 1 9  39 10 o 34.69185 7.441129 18.18596       5.851103      23.11678       8.267632      13.26222       8.281801      40.05091 10.27239 29.33279 10.76845 10.71812       14.88226 
1 1 1 9  39 11 o 24.98831 7.141035 8.621859       5.522382      7.885069       7.743378      9.351563       7.877984      24.37361 9.975576 25.60301 10.22083 -1.229401      14.28207 
1 1 1 9  39 12 o 18.78764 6.129224 -0.1643608     5.387067      -1.338265      7.559181      1.009544       7.672533      18.12807 8.466968 19.44721 8.864535 -1.319138      12.25845 
1 1 1 9  39 13 o 31.43408 7.149886 15.74888       5.800095      8.253463       8.451830      23.24430       7.941744      23.80511 10.12772 39.06306 10.09518 -15.25795      14.29977 
1 1 1 9  40 0  o 44.13657 10.85520 25.91516       8.288886      25.91516       8.288886      25.91516       8.288886      44.13657 10.85520 44.13657 10.85520 0.000000       0.000000 
1 1 1 9  40 1  o 14.34327 5.052524 -14.47367      5.666197      -10.76138      7.941744      -18.18596      8.083434      15.20512 7.489842 13.48142 6.783381 1.723698       10.10505 
1 1 1 9  40 2  o 20.73892 6.745561 0.9826226      6.449036      4.930825       10.04585      -2.965579      8.090520      23.31707 10.43825 18.16077 8.547118 5.156298       13.49112 
1 1 1 9  40 3  o 20.42791 6.523005 1.781756       5.664072      1.663445       7.842561      1.900776       8.175533      20.24216 9.135251 20.61366 9.313728 -0.3714962     13.04601 
1 1 1 9  40 4  o 27.80125 7.362128 11.49109       5.782383      6.255630       7.870899      16.73363       8.473083      23.19729 9.817139 32.40522 10.97395 -9.207933      14.72426 
1 1 1 9  40 5  o 24.12530 6.817844 5.151861       5.819932      15.24588       8.267632      -4.940743      8.189702      30.91957 10.81643 17.33103 8.302817 13.58854       13.63569 
1 1 1 9  40 6  o 27.36462 7.577513 11.81698       6.033884      11.19354       8.125941      12.44041       8.919409      26.95847 10.48614 27.77077 10.94147 -0.8122940     15.15503 
1 1 1 9  40 7  o 19.39675 6.449524 -1.112269      6.408655      0.4198285      9.245295      -2.644650      8.876901      20.17366 9.399629 18.61983 8.833596 1.553831       12.89905 
1 1 1 9  40 8  o 21.26969 6.866112 3.270214       6.526258      6.398736       9.549930      0.1423280      8.898154      22.97363 10.23367 19.56575 9.156747 3.407881       13.73222 
1 1 1 9  40 9  o 16.92185 5.773763 -5.139110      5.909905      -1.093850      8.558097      -9.181536      8.154280      18.50443 8.732738 15.33928 7.555439 3.165149       11.54753 
1 1 1 10 0  0  o 107.9479 3.099064 116.8237       6.678575      116.8237       6.678575      116.8237       6.678575      107.9479 3.099064 107.9479 3.099064 -0.000000      0.000000 
1 1 1 10 0  1  o 109.0912 2.192116 119.1616       4.778507      119.1616       4.778507      119.1616       4.778507      109.0912 2.192116 109.0912 2.192116 0.000000       0.000000 
1 1 1 10 0  2  o 140.6072 2.248212 197.8706       6.318681      197.8706       6.318681      197.8706       6.318681      140.6072 2.248212 140.6072 2.248212 -0.000000      0.000000 
1 1 1 10 0  3  o 225.4564 2.778740 508.5975       12.52543      508.5975       12.52543      508.5975       12.52543      225.4564 2.778740 225.4564 2.778740 -0.000000      0.000000 
1 1 1 10 0  4  o 1252.845 12.84779 15741.80       321.8496      15741.80       321.8496      15741.80       321.8496      1252.845 12.84779 1252.845 12.84779 0.000000       0.000000 
1 1 1 10 0  5  f 185.2849 2.507387 343.5283       9.287803      343.5283       9.287803      343.5283       9.287803      185.2849 2.507387 185.2849 2.507387 -0.000000      0.000000 
1 1 1 10 0  6  o 48.22469 3.257749 23.57727       3.112937      23.57727       3.112937      23.57727       3.112937      48.22469 3.257749 48.22469 3.257749 -0.000000      0.000000 
1 1 1 10 0  7  o 108.5334 2.249571 117.9572       4.878399      117.9572       4.878399      117.9572       4.878399      108.5334 2.249571 108.5334 2.249571 0.000000       0.000000 
1 1 1 10 0  8  o 128.8343 2.585724 166.2028       6.656613      166.2028       6.656613      166.2028       6.656613      128.8343 2.585724 128.8343 2.585724 0.000000       0.000000 
1 1 1 10 0  9  o 331.0623 3.695631 1096.683       24.46284      1096.683       24.46284      1096.683       24.46284      331.0623 3.695631 331.0623 3.695631 -0.000000      0.000000 
1 1 1 10 0  10 o 230.1031 2.841206 529.7803       13.07094      529.7803       13.07094      529.7803       13.07094      230.1031 2.841206 230.1031 2.841206 0.000000       0.000000 
1 1 1 10 0  11 o 145.0900 2.361766 210.6936       6.849311      210.6936       6.849311      210.6936       6.849311      145.0900 2.361766 145.0900 2.361766 -0.000000      0.000000 
1 1 1 10 0  12 o 48.04966 3.433757 23.44267       3.265963      23.44267       3.265963      23.44267       3.265963      48.04966 3.433757 48.04966 3.433757 -0.000000      0.000000 
1 1 1 10 0  13 o 358.8864 3.973825 1288.674       28.51518      1288.674       28.51518      1288.674       28.51518      358.8864 3.973825 358.8864 3.973825 -0.000000      0.000000 
1 1 1 10 0  14 o 500.5727 6.143692 2507.919       61.48653      2507.919       61.48653      2507.919       61.48653      500.5727 6.143692 500.5727 6.143692 0.000000       0.000000 
1 1 1 10 0  15 o 751.2292 8.990217 5651.320       135.0309      5651.320       135.0309      5651.320       135.0309      751.2292 8.990217 751.2292 8.990217 -0.000000      0.000000 
1 1 1 10 0  16 o 604.3490 12.74332 3663.404       153.8757      3663.404       153.8757      3663.404       153.8757      604.3490 12.74332 604.3490 12.74332 -0.000000      0.000000 
1 1 1 10 0  17 o 386.3838 4.905587 1494.125       37.89508      1494.125       37.89508      1494.125       37.89508      386.3838 4.905587 386.3838 4.905587 -0.000000      0.000000 
1 1 1 10 0  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 0  19 o 249.2325 4.532926 621.9498       22.57836      621.9498       22.57836      621.9498       22.57836      249.2325 4.532926 249.2325 4.532926 -0.000000      0.000000 
1 1 1 10 0  20 o 265.6935 3.821423 706.5390       20.29714      706.5390       20.29714      706.5390       20.29714      265.6935 3.821423 265.6935 3.821423 -0.000000      0.000000 
1 1 1 10 0  21 o 431.3390 5.431042 1862.520       46.83575      1862.520       46.83575      1862.520       46.83575      431.3390 5.431042 431.3390 5.431042 0.000000       0.000000 
1 1 1 10 0  22 o 432.3835 5.435946 1871.730       46.99161      1871.730       46.99161      1871.730       46.99161      432.3835 5.435946 432.3835 5.435946 -0.000000      0.000000 
1 1 1 10 0  23 o 51.82842 4.711907 27.53752       4.808262      27.53752       4.808262      27.53752       4.808262      51.82842 4.711907 51.82842 4.711907 -0.000000      0.000000 
1 1 1 10 0  24 o 318.1426 3.675382 1013.086       23.37891      1013.086       23.37891      1013.086       23.37891      318.1426 3.675382 318.1426 3.675382 -0.000000      0.000000 
1 1 1 10 0  25 o 11.13876 7.234656 -0.1554343E-01 3.734249      -0.1554343E-01 3.734249      -0.1554343E-01 3.734249      11.13876 7.234656 11.13876 7.234656 -0.000000      0.000000 
1 1 1 10 0  26 o 476.2903 5.132250 2272.713       48.87609      2272.713       48.87609      2272.713       48.87609      476.2903 5.132250 476.2903 5.132250 0.000000       0.000000 
1 1 1 10 0  27 o 153.0461 2.997532 234.6392       9.167366      234.6392       9.167366      234.6392       9.167366      153.0461 2.997532 153.0461 2.997532 -0.000000      0.000000 
1 1 1 10 0  28 o 164.7263 3.053747 271.8329       10.05293      271.8329       10.05293      271.8329       10.05293      164.7263 3.053747 164.7263 3.053747 -0.000000      0.000000 
1 1 1 10 0  29 o 138.3482 2.973114 191.8487       8.218040      191.8487       8.218040      191.8487       8.218040      138.3482 2.973114 138.3482 2.973114 -0.000000      0.000000 
1 1 1 10 0  30 o 28.02293 8.611675 9.833311       4.210329      9.833311       4.210329      9.833311       4.210329      28.02293 8.611675 28.02293 8.611675 -0.000000      0.000000 
1 1 1 10 0  31 o 19.53168 9.442045 5.697370       4.260629      5.697370       4.260629      5.697370       4.260629      19.53168 9.442045 19.53168 9.442045 -0.000000      0.000000 
1 1 1 10 0  32 o 106.6419 4.028379 114.4858       8.565183      114.4858       8.565183      114.4858       8.565183      106.6419 4.028379 106.6419 4.028379 -0.000000      0.000000 
1 1 1 10 0  33 o 130.5397 3.037403 170.9494       7.920490      170.9494       7.920490      170.9494       7.920490      130.5397 3.037403 130.5397 3.037403 -0.000000      0.000000 
1 1 1 10 0  34 o 165.0204 3.211818 273.1790       10.59135      273.1790       10.59135      273.1790       10.59135      165.0204 3.211818 165.0204 3.211818 -0.000000      0.000000 
1 1 1 10 0  35 o 134.5740 3.588072 182.0721       9.642029      182.0721       9.642029      182.0721       9.642029      134.5740 3.588072 134.5740 3.588072 -0.000000      0.000000 
1 1 1 10 0  36 o 22.35527 10.22879 7.452912       4.950661      7.452912       4.950661      7.452912       4.950661      22.35527 10.22879 22.35527 10.22879 -0.000000      0.000000 
1 1 1 10 0  37 o 15.94049 9.211689 3.406236       4.665155      3.406236       4.665155      3.406236       4.665155      15.94049 9.211689 15.94049 9.211689 -0.000000      0.000000 
1 1 1 10 0  38 o 27.06344 9.633874 9.875818       4.741668      9.875818       4.741668      9.875818       4.741668      27.06344 9.633874 27.06344 9.633874 0.000000       0.000000 
1 1 1 10 0  39 o 37.78482 7.350867 16.05352       4.962705      16.05352       4.962705      16.05352       4.962705      37.78482 7.350867 37.78482 7.350867 -0.000000      0.000000 
1 1 1 10 0  40 o 95.08498 3.193454 91.24860       6.057971      91.24860       6.057971      91.24860       6.057971      95.08498 3.193454 95.08498 3.193454 0.000000       0.000000 
1 1 1 10 0  41 o 83.52852 3.531359 70.80976       5.876608      70.80976       5.876608      70.80976       5.876608      83.52852 3.531359 83.52852 3.531359 -0.000000      0.000000 
1 1 1 10 0  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 0  43 o 81.71378 3.628141 68.33726       5.904237      68.33726       5.904237      68.33726       5.904237      81.71378 3.628141 81.71378 3.628141 0.000000       0.000000 
1 1 1 10 0  44 o 19.68760 8.763488 6.126691       3.629399      6.126691       3.629399      6.126691       3.629399      19.68760 8.763488 19.68760 8.763488 0.000000       0.000000 
1 1 1 10 0  45 o 11.77687 7.940176 -0.5206411     5.212080      -0.5206411     5.212080      -0.5206411     5.212080      11.77687 7.940176 11.77687 7.940176 -0.000000      0.000000 
1 1 1 10 1  0  o 287.2087 3.287816 825.3463       18.88024      825.3463       18.88024      825.3463       18.88024      287.2087 3.287816 287.2087 3.287816 -0.000000      0.000000 
1 1 1 10 1  1  o 351.9187 2.734456 1239.082       19.24864      1222.079       26.89991      1256.085       27.53752      349.5048 3.848290 354.3326 3.885830 -4.827789      5.468913 
1 1 1 10 1  2  o 798.0995 5.829554 6382.442       93.09056      6345.603       130.8510      6419.990       132.3388      795.7786 8.221574 800.4203 8.266831 -4.641724      11.65911 
1 1 1 10 1  3  o 416.1877 3.165609 1733.582       26.34732      1749.168       37.59754      1717.287       36.93159      418.1004 4.496233 414.2750 4.457376 3.825439       6.331217 
1 1 1 10 1  4  o 386.6532 2.966561 1495.542       22.94675      1477.122       32.05745      1514.670       32.82966      384.2280 4.171669 389.0784 4.218900 -4.850403      5.933122 
1 1 1 10 1  5  o 160.3473 1.790767 257.1680       5.740584      258.5141       7.566265      255.8219       8.636027      160.7692 2.353145 159.9253 2.700018 0.8438873      3.581535 
1 1 1 10 1  6  f 320.9498 2.543862 1030.797       16.33690      998.2086       22.43667      1063.386       23.75439      315.8769 3.551489 326.0227 3.643057 -10.14581      5.087725 
1 1 1 10 1  7  o 202.2349 1.854696 409.1309       7.502505      412.5315       10.68345      405.6595       10.53468      203.0840 2.630304 201.3857 2.615548 1.698334       3.709392 
1 1 1 10 1  8  o 225.2377 1.977781 507.4640       8.912323      510.0853       12.63170      504.8427       12.56793      225.8194 2.796857 224.6560 2.797151 1.163467       3.955562 
1 1 1 10 1  9  o 346.1811 2.711766 1199.409       18.78106      1214.995       26.87158      1183.115       26.23397      348.4814 3.855525 343.8809 3.814398 4.600525       5.423532 
1 1 1 10 1  10 o 392.4869 3.127827 1541.591       24.63287      1503.335       29.28740      1579.848       39.62371      387.6468 3.777588 397.3269 4.986286 -9.680084      6.255654 
1 1 1 10 1  11 o 461.0648 4.136318 2128.189       38.28473      2092.058       39.94251      2163.612       65.31925      457.2781 4.367420 464.8515 7.025820 -7.573364      8.272636 
1 1 1 10 1  12 f 600.2183 5.259705 3607.437       63.16556      3596.810       67.33126      3617.355       106.9054      599.5229 5.615403 600.9136 8.895237 -1.390686      10.51941 
1 1 1 10 1  13 o 1065.345 9.178143 11391.90       195.6035      11356.48       208.3557      11420.24       331.1304      1064.636 9.785300 1066.054 15.53065 -1.418213      18.35629 
1 1 1 10 1  14 o 990.7208 8.526946 9847.479       168.7532      9897.071       181.7887      9797.888       284.3017      993.9034 9.145191 987.5381 14.39447 6.365234       17.05389 
1 1 1 10 1  15 o 452.1420 3.702825 2046.009       33.48143      2049.551       43.99485      2041.758       50.47719      452.5930 4.860311 451.6911 5.587579 0.9019165      7.405651 
1 1 1 10 1  16 o 147.5813 2.833389 218.1323       8.522675      204.2466       7.197870      231.9471       15.45842      142.9054 2.518403 152.2572 5.076417 -9.351730      5.666777 
1 1 1 10 1  17 o 289.0245 2.768365 836.6816       16.03935      779.2970       21.40233      894.0662       23.88191      279.1038 3.834117 298.9453 3.994362 -19.84149      5.536730 
1 1 1 10 1  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 1  19 o 277.5640 3.071157 770.7955       17.04535      771.5040       22.13912      770.0871       25.92933      277.7022 3.986125 277.4257 4.673204 0.2765503      6.142314 
1 1 1 10 1  20 o 192.1794 3.198044 370.0244       12.10036      344.3076       20.28297      395.7411       13.19846      185.4628 5.468205 198.8959 3.317930 -13.43314      6.396087 
1 1 1 10 1  21 o 648.9180 5.893035 4223.081       76.22942      4145.860       123.1289      4300.302       89.97337      642.6929 9.579141 655.1430 6.866698 -12.45007      11.78607 
1 1 1 10 1  22 o 347.0507 3.596674 1205.785       24.89499      1171.779       37.92342      1240.499       32.27706      342.0671 5.543273 352.0343 4.584363 -9.967255      7.193348 
1 1 1 10 1  23 o 291.7902 2.996950 852.2675       17.44208      837.3900       28.33099      867.1450       20.33965      289.1978 4.898202 294.3825 3.454629 -5.184723      5.993901 
1 1 1 10 1  24 o 235.2205 2.634657 553.9384       12.41208      558.0475       20.48134      549.7586       14.02026      236.0546 4.338264 234.3864 2.990844 1.668182       5.269315 
1 1 1 10 1  25 o 211.6389 2.499677 448.5208       10.59844      453.8342       17.56960      443.1366       11.87365      212.8532 4.127165 210.4246 2.821355 2.428543       4.999354 
1 1 1 10 1  26 o 156.1434 2.563510 0.000000       0.000000      ?              ?             243.9908       8.005506      ?        ?        156.1434 2.563510 ?              ?        
1 1 1 10 1  27 o 51.43141 3.561420 26.55277       3.692451      27.65087       6.226583      25.45467       3.970872      52.46195 5.934380 50.40088 3.939289 2.061069       7.122841 
1 1 1 10 1  28 o 148.0901 2.286552 219.8326       6.840102      231.1678       11.51943      208.4974       7.374983      151.8631 3.792702 144.3172 2.555130 7.545898       4.573104 
1 1 1 10 1  29 f 91.44640 2.437497 83.88069       4.471748      85.22675       7.452912      82.46378       4.941452      92.15582 4.043647 90.73698 2.722953 1.418846       4.874993 
1 1 1 10 1  30 o 138.4376 1.966936 192.0613       5.462872      198.8624       8.402238      185.2601       6.978250      140.8706 2.982254 136.0046 2.565447 4.866043       3.933873 
1 1 1 10 1  31 o 167.5027 2.041708 281.2554       6.837976      280.6886       10.35048      281.8221       8.940661      167.3038 3.093319 167.7015 2.665647 -0.3976898     4.083417 
1 1 1 10 1  32 o 157.6292 2.032253 249.0917       6.410780      251.0753       9.769550      247.1080       8.303054      158.2269 3.087197 157.0316 2.643752 1.195206       4.064507 
1 1 1 10 1  33 o 174.4085 2.100225 305.0593       7.325392      305.9803       11.15812      304.2092       9.500339      174.6207 3.194958 174.1963 2.726907 0.4244385      4.200449 
1 1 1 10 1  34 f 119.5584 2.121670 143.5323       5.085975      148.7040       7.771716      138.2898       6.563097      121.7004 3.192970 117.4164 2.794796 4.284042       4.243340 
1 1 1 10 1  35 o 164.2091 4.789071 276.0128       15.66387      288.9066       20.64428      263.1898       23.55602      168.3732 6.130515 160.0451 7.359183 8.328094       9.578141 
1 1 1 10 1  36 f 57.93653 3.364944 34.06236       3.868855      30.62637       5.668323      37.49835       5.267339      54.94553 5.158129 60.92753 4.322626 -5.981998      6.729888 
1 1 1 10 1  37 o 94.86052 2.426780 90.82352       4.625482      99.11240       7.071057      82.60548       5.964456      99.14955 3.565855 90.57150 3.292678 8.578056       4.853560 
1 1 1 10 1  38 o 126.7513 2.239065 161.9521       5.677533      163.4398       8.565183      160.3935       7.459997      127.2841 3.364591 126.2184 2.955195 1.065788       4.478131 
1 1 1 10 1  39 o 29.70721 5.576636 9.783719       3.416863      12.17829       5.239709      7.389152       4.386734      33.24855 7.971030 26.16587 7.801164 7.082685       11.15327 
1 1 1 10 1  40 o 112.3973 2.292153 127.8755       5.156821      129.3633       7.792970      126.3878       6.753671      112.9617 3.449387 111.8329 3.019536 1.128754       4.584307 
1 1 1 10 1  41 o 128.5863 2.243815 167.9031       5.768923      167.5488       8.728126      168.2573       7.545012      128.3047 3.401328 128.8679 2.927421 -0.5632019     4.487630 
1 1 1 10 1  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 1  43 o 54.88045 2.995361 31.63237       3.306344      34.38116       5.112188      28.88358       4.193326      57.12404 4.474638 52.63686 3.983260 4.487175       5.990722 
1 1 1 10 1  44 o 37.12302 5.136519 16.62736       3.722206      19.98542       5.913447      13.26930       4.522048      40.78420 7.532870 33.46183 6.985069 7.322365       10.27304 
1 1 1 10 1  45 o 47.88924 4.345827 26.72280       4.084224      21.89824       5.827724      31.54736       5.723582      42.78562 6.810378 52.99287 5.400332 -10.20725      8.691653 
1 1 1 10 2  0  o 194.9155 2.561609 380.1552       9.982086      380.1552       9.982086      380.1552       9.982086      194.9155 2.561609 194.9155 2.561609 0.000000       0.000000 
1 1 1 10 2  1  o 136.8300 1.720946 187.3147       4.699161      180.7969       6.983918      193.8324       6.288218      134.4470 2.597276 139.2129 2.258489 -4.765976      3.441891 
1 1 1 10 2  2  o 217.6000 1.926284 473.6708       8.388069      481.1805       12.00826      466.0904       11.70362      219.3331 2.737448 215.8670 2.710842 3.466110       3.852568 
1 1 1 10 2  3  o 250.5952 2.110441 628.1841       10.57718      619.4702       14.76414      636.8981       15.15378      248.8575 2.966384 252.3329 3.002736 -3.475464      4.220883 
1 1 1 10 2  4  o 175.1752 1.730770 307.0430       6.065764      317.2447       8.742295      296.7704       8.409323      178.0965 2.454370 172.2539 2.440968 5.842621       3.461540 
1 1 1 10 2  5  o 311.4521 2.485239 970.5789       15.48676      995.3747       22.40833      945.7831       21.38107      315.4298 3.552031 307.4745 3.476886 7.955353       4.970479 
1 1 1 10 2  6  o 118.0193 1.741248 139.3525       4.101936      143.9574       5.509629      134.7475       6.077808      119.9714 2.296227 116.0672 2.618229 3.904236       3.482496 
1 1 1 10 2  7  o 694.0085 5.503759 4826.682       76.30025      4896.819       101.5211      4757.254       113.9899      699.1216 7.260622 688.8955 8.273380 10.22607       11.00752 
1 1 1 10 2  8  o 312.9421 2.586499 979.7889       16.18812      981.2057       19.84373      978.3719       25.57511      313.1868 3.168035 312.6975 4.089433 0.4893188      5.172998 
1 1 1 10 2  9  o 396.5889 3.593036 1574.180       28.44434      1587.641       30.83182      1560.719       47.81341      398.3546 3.869896 394.8231 6.055042 3.531525       7.186072 
1 1 1 10 2  10 o 46.26230 2.786122 21.49443       2.624814      18.88733       2.915988      24.09444       4.366188      43.45250 3.355374 49.07210 4.448748 -5.619602      5.572243 
1 1 1 10 2  11 f 440.7592 3.937826 1944.700       34.58662      1978.706       37.95884      1909.986       57.82383      444.7248 4.267678 436.7937 6.619125 7.931122       7.875652 
1 1 1 10 2  12 o 62.26279 2.430596 38.78065       3.021547      39.07111       3.283674      38.48310       5.073932      62.50218 2.626848 62.02341 4.090336 0.4787712      4.861191 
1 1 1 10 2  13 o 523.8260 4.625257 2745.959       48.44393      2750.210       51.97202      2742.417       81.75533      524.2941 4.956380 523.3579 7.810653 0.9362183      9.250513 
1 1 1 10 2  14 o 314.6909 3.093868 991.1240       19.50368      980.4973       22.37291      1001.042       31.95826      313.0827 3.573003 316.2991 5.051904 -3.216461      6.187737 
1 1 1 10 2  15 o 297.7001 2.964056 886.9816       17.66879      879.8971       20.33257      893.3577       28.90483      296.5903 3.427720 298.8100 4.836657 -2.219757      5.928113 
1 1 1 10 2  16 o 78.01541 2.391333 60.91269       3.705911      63.63314       4.461830      58.18514       5.917697      79.76378 2.796902 76.26704 3.879591 3.496742       4.782665 
1 1 1 10 2  17 o 493.4083 4.024940 2436.366       39.69455      2418.654       59.75082      2454.785       52.28374      491.5485 6.077816 495.2682 5.278327 -3.719666      8.049881 
1 1 1 10 2  18 o 224.7582 2.283514 505.4803       10.30089      524.2543       16.02518      486.7064       12.94341      228.9280 3.500048 220.5885 2.933837 8.339508       4.567027 
1 1 1 10 2  19 o 531.9712 5.181651 2833.807       55.02545      2782.090       84.37660      2886.233       70.67515      527.0114 8.005198 536.9310 6.581400 -9.919617      10.36330 
1 1 1 10 2  20 o 368.2605 4.844628 1359.519       36.32232      1450.201       64.58246      1269.546       33.26181      380.3468 8.489944 356.1742 4.669319 24.17267       9.689256 
1 1 1 10 2  21 o 719.9023 6.524849 5200.745       93.86986      5174.532       152.8839      5226.958       108.8890      717.6708 10.65139 722.1339 7.539394 -4.463135      13.04970 
1 1 1 10 2  22 o 162.7103 2.362035 265.1735       7.785885      282.6014       13.22680      247.7456       8.225125      168.0465 3.935456 157.3742 2.613239 10.67236       4.724070 
1 1 1 10 2  23 o 430.7292 4.070991 1858.269       34.97626      1829.931       56.78949      1887.316       40.84933      427.2794 6.645475 434.1790 4.704204 -6.899628      8.141982 
1 1 1 10 2  24 o 181.0040 2.390606 328.4382       8.798972      354.0842       15.09002      302.7923       9.046929      188.0470 4.012301 173.9610 2.600276 14.08600       4.781213 
1 1 1 10 2  25 o 135.5599 2.031799 184.0558       5.475624      173.9249       8.416408      194.1866       7.004463      131.8131 3.192554 139.3066 2.514045 -7.493530      4.063597 
1 1 1 10 2  26 o 146.9063 2.009941 216.0069       5.892194      211.2603       9.103605      220.8244       7.481250      145.2655 3.133436 148.5472 2.518140 -3.281631      4.019882 
1 1 1 10 2  27 o 338.4090 2.967534 1148.400       20.12712      1173.196       31.17188      1122.896       25.46176      342.0451 4.556692 334.7729 3.802840 7.272156       5.935068 
1 1 1 10 2  28 f 51.14891 3.269482 26.30482       3.294301      24.08027       5.291427      28.52227       3.926948      48.95206 5.404703 53.34576 3.680656 -4.393696      6.538963 
1 1 1 10 2  29 o 26.96757 5.285445 7.481250       3.027215      7.176617       4.955620      7.792970       3.477082      26.68565 8.360834 27.24949 6.468397 -0.5638466     10.57089 
1 1 1 10 2  30 o 275.2091 2.589368 760.1688       14.26113      763.0026       21.96201      756.6265       18.18596      275.7067 3.982857 274.7116 3.310009 0.9950562      5.178736 
1 1 1 10 2  31 o 167.8987 2.376893 282.8139       7.998421      286.0728       13.36140      279.6259       8.791886      168.7476 3.958990 167.0498 2.631516 1.697769       4.753786 
1 1 1 10 2  32 o 65.65783 3.008387 43.37142       3.985042      45.29841       6.775633      41.44443       4.198285      67.04299 5.053200 64.27267 3.265996 2.770325       6.016773 
1 1 1 10 2  33 o 116.4221 2.459360 136.0936       5.684617      131.5595       9.514507      140.6985       6.220206      114.3656 4.159688 118.4786 2.625034 -4.112953      4.918720 
1 1 1 10 2  34 o 29.64439 6.033525 9.528677       3.909945      12.83006       6.640318      6.221623       4.128857      34.63631 9.362314 24.65247 7.613197 9.983839       12.06705 
1 1 1 10 2  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 2  36 o 218.4475 2.795578 481.2513       12.17120      475.1586       20.24047      487.3440       13.53851      216.7010 4.670137 220.1940 3.074224 -3.492996      5.591156 
1 1 1 10 2  37 o 173.5187 2.615596 303.8550       9.110690      310.6561       15.39466      296.9830       9.755382      175.1559 4.394559 171.8816 2.837820 3.274277       5.231193 
1 1 1 10 2  38 o 106.5605 2.862837 115.0526       6.091268      114.9817       10.44966      115.0526       6.265547      106.2202 4.918869 106.9009 2.930540 -0.6807175     5.725674 
1 1 1 10 2  39 o 103.0675 2.920084 107.9680       6.038843      110.2351       10.42841      105.7719       6.089143      103.7281 5.026803 102.4069 2.973013 1.321136       5.840168 
1 1 1 10 2  40 o 55.99564 4.182083 32.61712       4.641068      32.14246       8.026759      33.09178       4.663030      55.01783 7.294688 56.97344 4.092284 -1.955605      8.364165 
1 1 1 10 2  41 o 81.61315 3.195814 68.81192       5.297802      74.31659       9.195704      63.30017       5.263088      84.32751 5.452375 78.89879 3.335342 5.428726       6.391627 
1 1 1 10 2  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 2  43 o 43.62095 5.146384 21.93367       4.037467      17.08077       7.004463      26.78656       4.017630      36.52612 9.500112 50.71577 3.960927 -14.18966      10.29277 
1 1 1 10 2  44 o 74.84967 2.945626 59.29033       4.237250      51.61071       7.098687      66.96995       4.624065      68.93248 5.149015 80.76686 2.862600 -11.83438      5.891251 
1 1 1 10 2  45 o 25.76018 4.892493 8.239295       2.637566      7.346645       4.121772      9.139028       3.291467      23.82498 7.645744 27.69538 6.106435 -3.870396      9.784986 
1 1 1 10 3  0  o 43.01143 3.622115 18.89441       3.073264      18.89441       3.073264      18.89441       3.073264      43.01143 3.622115 43.01143 3.622115 -0.000000      0.000000 
1 1 1 10 3  1  o 277.5220 2.277103 770.7955       12.63878      775.7547       18.00884      765.1279       17.73963      278.4786 3.233434 276.5654 3.207132 1.913269       4.554206 
1 1 1 10 3  2  o 312.6127 2.494218 977.6635       15.59302      985.4564       22.21705      969.8705       21.89116      313.8582 3.539344 311.3672 3.515329 2.491058       4.988436 
1 1 1 10 3  3  o 131.8786 1.613827 173.9958       4.257795      168.2573       5.896444      179.7342       6.143694      129.7034 2.273050 134.0538 2.291504 -4.350418      3.227653 
1 1 1 10 3  4  o 121.4531 1.654500 147.5705       4.018339      147.7830       4.925157      147.2871       6.349853      121.5579 2.025848 121.3483 2.616375 0.2095642      3.309000 
1 1 1 10 3  5  o 81.76086 1.776950 66.87077       2.899693      67.97595       3.593976      65.75850       4.551803      82.44092 2.179728 81.08082 2.806954 1.360100       3.553900 
1 1 1 10 3  6  o 29.06334 4.210266 8.862731       2.421488      7.006588       2.697076      10.72596       4.022589      25.97357 5.373951 32.15311 6.482746 -6.179544      8.420531 
1 1 1 10 3  7  o 169.9264 2.043969 288.8358       6.949204      288.1982       7.452912      289.4734       11.73196      169.7495 2.195268 170.1033 3.448482 -0.3538055     4.087937 
1 1 1 10 3  8  o 156.1831 1.988185 243.9908       6.237210      238.8191       6.617648      249.2334       10.57718      154.5255 2.141280 157.8407 3.350588 -3.315201      3.976370 
1 1 1 10 3  9  o 199.3443 2.265245 397.5123       9.018591      399.6376       10.57718      395.3869       14.62245      199.8874 2.645786 198.8012 3.677656 1.086258       4.530489 
1 1 1 10 3  10 o 579.8379 5.265999 3367.271       61.03312      3372.230       70.71057      3362.312       99.53748      580.4117 6.091416 579.2640 8.591720 1.147644       10.53200 
1 1 1 10 3  11 o 400.5750 3.766036 1605.352       30.15171      1611.019       35.05420      1600.393       49.07445      401.2827 4.367769 399.8673 6.136343 1.415314       7.532072 
1 1 1 10 3  12 o 369.5307 3.512860 1365.895       25.94350      1372.271       30.24380      1360.227       42.15997      370.3764 4.082848 368.6850 5.717613 1.691376       7.025721 
1 1 1 10 3  13 o 279.1722 2.822240 779.2970       15.79139      770.7955       18.07969      788.5069       25.88683      277.6019 3.256406 280.7426 4.610421 -3.140656      5.644480 
1 1 1 10 3  14 o 217.5848 2.138052 473.6000       9.316141      466.1613       12.02243      480.9679       14.23280      215.8876 2.784418 219.2821 3.245317 -3.394470      4.276104 
1 1 1 10 3  15 o 579.9210 5.284801 3367.271       61.23149      3385.691       71.05771      3348.852       99.75002      581.6263 6.108537 578.2157 8.625675 3.410583       10.56960 
1 1 1 10 3  16 o 680.4370 5.795877 4636.817       78.85069      4614.855       111.1561      4658.779       111.9354      678.8267 8.187368 682.0474 8.205836 -3.220642      11.59175 
1 1 1 10 3  17 o 236.3206 2.434001 558.6851       11.50526      551.3172       16.04643      566.0530       16.49276      234.7628 3.417584 237.8784 3.466636 -3.115601      4.868002 
1 1 1 10 3  18 o 413.1017 4.124541 1708.077       34.06945      1712.328       43.38559      1703.827       52.53878      413.6515 5.244219 412.5519 6.367537 1.099640       8.249083 
1 1 1 10 3  19 o 632.6366 5.787520 4009.837       73.39561      4075.723       121.2869      3943.951       82.81801      637.6339 9.510703 627.6393 6.597581 9.994629       11.57504 
1 1 1 10 3  20 o 599.3763 4.835576 3598.935       57.91594      3557.845       86.85619      3639.317       76.65448      595.9166 7.287613 602.8362 6.357821 -6.919617      9.671152 
1 1 1 10 3  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 3  22 o 777.0668 7.013717 6066.473       108.7474      5992.794       176.4753      6140.152       127.1671      771.7587 11.43332 782.3749 8.126992 -10.61627      14.02743 
1 1 1 10 3  23 o 501.7032 4.682316 2522.797       47.03411      2536.258       77.36294      2510.045       53.45977      502.7952 7.693285 500.6113 5.339450 2.183960       9.364633 
1 1 1 10 3  24 o 112.1954 2.507603 126.0336       5.591810      122.9164       9.585353      129.1508       5.763964      110.7779 4.326384 113.6129 2.536669 -2.834969      5.015206 
1 1 1 10 3  25 o 33.52348 5.259238 10.71888       3.963080      2.558219       6.903862      18.88024       3.892942      23.64002 9.514722 43.40694 4.484240 -19.76692      10.51848 
1 1 1 10 3  26 o 34.23302 6.312999 12.51834       4.845102      16.27314       9.061099      8.756464       3.435283      39.48859 11.04503 28.97745 6.117447 10.51114       12.62600 
1 1 1 10 3  27 o 379.2262 3.673389 1443.116       27.78548      1421.863       45.22048      1465.078       32.29832      376.1527 6.010920 382.2997 4.224214 -6.146973      7.346778 
1 1 1 10 3  28 o 191.5047 2.396249 367.5448       9.139028      359.7518       15.04043      375.2669       10.39299      189.4123 3.970290 193.5970 2.684180 -4.184784      4.792497 
1 1 1 10 3  29 o 78.03649 2.775220 61.24565       4.221664      55.21673       7.183701      67.28167       4.434908      74.11436 4.846362 81.95862 2.705578 -7.844254      5.550439 
1 1 1 10 3  30 o 60.99113 3.327522 37.60462       3.885150      31.90867       6.649529      43.30058       4.021172      56.25275 5.910403 65.72951 3.058879 -9.476761      6.655044 
1 1 1 10 3  31 o 228.7823 2.662904 525.6712       12.14995      519.1535       20.12712      532.1182       13.62353      227.1871 4.429634 230.3774 2.956785 -3.190262      5.325808 
1 1 1 10 3  32 o 124.0176 2.394870 154.4425       5.875899      147.0746       9.882903      161.8104       6.354813      120.9559 4.085332 127.0793 2.500333 -6.123383      4.789740 
1 1 1 10 3  33 o 147.7524 2.444758 219.2658       7.148279      209.0641       11.97283      229.5384       7.814223      144.1702 4.152327 151.3345 2.581771 -7.164337      4.889515 
1 1 1 10 3  34 o 114.5154 2.430473 131.7720       5.593935      135.4560       9.273635      128.0881       6.254212      116.0238 3.996437 113.0069 2.767181 3.016853       4.860946 
1 1 1 10 3  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 3  36 o 52.44216 3.974284 28.49393       4.314471      36.01769       7.318307      20.97017       4.569514      59.40310 6.159870 45.48122 5.023518 13.92189       7.948567 
1 1 1 10 3  37 o 93.38742 2.805803 88.13139       5.256712      89.76084       8.834394      86.50197       5.695952      94.05767 4.696264 92.71716 3.071682 1.340508       5.611606 
1 1 1 10 3  38 o 209.6987 2.473559 444.0576       10.37173      443.6325       16.62736      444.5535       12.39082      209.2920 3.972287 210.1055 2.948715 -0.8134155     4.947119 
1 1 1 10 3  39 o 122.5504 2.520672 152.0338       6.140152      147.5705       10.06001      156.4970       7.042719      120.4775 4.175060 124.6234 2.825601 -4.145882      5.041344 
1 1 1 10 3  40 o 115.8549 2.161426 135.7394       4.990335      129.1508       7.389152      142.3988       6.712580      112.9356 3.271400 118.7743 2.825772 -5.838654      4.322852 
1 1 1 10 3  41 o 80.47451 2.485520 65.94978       4.004169      66.85659       6.104020      65.03587       5.183033      80.92100 3.771593 80.02802 3.238261 0.8929749      4.971041 
1 1 1 10 3  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 3  43 o 39.72778 3.480035 17.02410       2.772880      21.23230       4.315888      12.82298       3.483457      44.75617 4.821557 34.69940 5.019478 10.05677       6.960070 
1 1 1 10 3  44 o 26.60293 4.760910 8.423491       2.559636      8.862731       4.033925      7.984251       3.151194      26.96901 7.300425 26.23684 6.113008 0.7321663      9.521820 
1 1 1 10 3  45 o 33.05719 4.730930 13.22680       3.042092      9.925409       5.340310      16.52818       2.915279      26.62535 8.712144 39.48903 3.691252 -12.86368      9.461860 
1 1 1 10 4  0  o 721.8034 7.485763 5216.331       108.0389      5216.331       108.0389      5216.331       108.0389      721.8034 7.485763 721.8034 7.485763 -0.000000      0.000000 
1 1 1 10 4  1  o 221.8947 2.040293 492.5157       9.046929      497.4040       11.17937      487.6273       14.21863      223.0032 2.506549 220.7863 3.219998 2.216904       4.080585 
1 1 1 10 4  2  o 254.2713 2.232574 646.7456       11.37774      637.4649       13.71563      656.0972       18.15053      252.4506 2.716498 256.0920 3.543753 -3.641418      4.465148 
1 1 1 10 4  3  o 309.3346 2.947196 957.8268       18.28514      944.3662       19.23446      970.5789       31.10812      307.2559 3.130041 311.4133 4.994668 -4.157440      5.894392 
1 1 1 10 4  4  o 425.1029 3.990246 1810.094       34.16154      1740.666       37.62588      1878.814       57.03037      417.0697 4.510742 433.1361 6.583423 -16.06641      7.980492 
1 1 1 10 4  5  o 217.8880 2.378449 475.0877       10.30089      493.9326       12.46875      456.3138       16.40774      222.2156 2.805553 213.5603 3.841477 8.655243       4.756897 
1 1 1 10 4  6  o 105.7281 2.022868 111.7937       4.263463      114.2024       5.051261      109.4558       6.869148      106.8550 2.363606 104.6012 3.283496 2.253807       4.045736 
1 1 1 10 4  7  o 261.7524 2.695237 685.5688       14.16904      668.2826       15.96142      702.9258       23.42141      258.4683 3.087693 265.0366 4.418525 -6.568268      5.390475 
1 1 1 10 4  8  o 312.5655 3.073262 977.6635       19.26989      959.9522       21.87699      995.3747       31.73155      309.7672 3.531199 315.3638 5.030944 -5.596649      6.146525 
1 1 1 10 4  9  o 298.5045 2.966438 891.2324       17.76089      875.6464       20.26172      907.5267       29.18113      295.8619 3.424186 301.1472 4.844994 -5.285339      5.932876 
1 1 1 10 4  10 o 274.8138 2.638500 755.9181       14.50201      769.3787       20.88516      741.7490       20.13420      277.3255 3.765460 272.3022 3.697033 5.023285       5.277001 
1 1 1 10 4  11 o 273.4028 2.470906 747.4167       13.53143      762.2941       20.72930      733.2476       17.39958      276.0522 3.754598 270.7534 3.213177 5.298767       4.941813 
1 1 1 10 4  12 o 775.8849 6.141335 6028.925       95.28677      6035.301       144.1699      6023.257       124.6875      776.1866 9.287067 775.5833 8.038305 0.6032715      12.28267 
1 1 1 10 4  13 f 219.9323 2.485775 483.8726       10.96683      492.9407       18.15053      474.8044       12.32706      221.9831 4.088269 217.8815 2.828846 4.101654       4.971550 
1 1 1 10 4  14 o 496.8953 4.044548 2471.080       40.21881      2492.333       61.21024      2449.826       52.19164      499.0023 6.133262 494.7882 5.274139 4.214081       8.089095 
1 1 1 10 4  15 o 453.3679 3.734061 2056.635       33.86399      2053.093       44.15780      2060.178       51.34858      452.9972 4.873960 453.7386 5.658389 -0.7413635     7.468122 
1 1 1 10 4  16 o 541.3720 4.388312 2933.699       47.56545      2979.748       72.89968      2887.649       61.14647      545.5818 6.680912 537.1622 5.691622 8.419678       8.776625 
1 1 1 10 4  17 o 660.0723 4.885361 4363.354       64.50453      4270.547       89.33577      4456.162       93.09056      653.0606 6.839776 667.0839 6.977425 -14.02332      9.770721 
1 1 1 10 4  18 o 495.1277 4.051916 2454.077       40.09129      2487.374       53.24015      2420.072       59.94919      498.5509 5.339490 491.7045 6.096059 6.846436       8.103832 
1 1 1 10 4  19 o 73.18588 2.735289 53.74315       3.988584      59.57371       5.676116      47.91259       5.605271      77.16908 3.677714 69.20269 4.049894 7.966385       5.470578 
1 1 1 10 4  20 o 279.0762 2.772418 779.2970       15.47259      787.0900       22.01160      771.5040       21.75655      280.4715 3.924034 277.6810 3.917545 2.790558       5.544836 
1 1 1 10 4  21 o 354.1746 2.957888 1255.377       20.93475      1246.167       33.14846      1264.586       25.56803      352.8398 4.697381 355.5092 3.595972 -2.669403      5.915775 
1 1 1 10 4  22 o 193.6392 2.394094 375.2669       9.216957      362.8690       14.93416      387.6649       10.81806      190.4217 3.921340 196.8568 2.747698 -6.435089      4.788189 
1 1 1 10 4  23 o 78.88335 2.652091 0.000000       0.000000      ?              ?             62.25166       4.184116      ?        ?        78.88335 2.652091 ?              ?        
1 1 1 10 4  24 o 363.7849 3.411999 1326.222       24.83832      1331.181       42.08204      1321.263       26.40400      364.2976 5.775778 363.2722 3.634189 1.025391       6.823997 
1 1 1 10 4  25 o 249.1826 2.593165 621.8790       12.86548      609.7644       21.55819      633.9226       14.06277      246.6891 4.369505 251.6760 2.793823 -4.986877      5.186330 
1 1 1 10 4  26 o 68.67026 2.626113 47.36000       3.686783      52.19164       6.374650      42.52836       3.704495      72.15859 4.417110 65.18192 2.841658 6.976677       5.252226 
1 1 1 10 4  27 o 181.7573 2.249205 330.9887       8.104689      317.6698       13.58102      344.2367       8.848563      178.0522 3.813776 185.4625 2.385540 -7.410309      4.498409 
1 1 1 10 4  28 o 84.45699 2.350618 71.62447       4.044551      77.71716       6.984626      65.49637       4.080682      88.03109 3.967136 80.88290 2.522587 7.148193       4.701235 
1 1 1 10 4  29 o 157.2659 2.006397 247.8164       6.317265      249.0917       10.40007      246.4704       7.169532      157.6312 3.298861 156.9006 2.284738 0.7306824      4.012794 
1 1 1 10 4  30 o 88.02409 2.254646 77.85885       3.912071      70.98687       6.223749      84.65999       4.740251      84.11237 3.699664 91.93582 2.578022 -7.823456      4.509291 
1 1 1 10 4  31 o 127.2186 2.261480 162.3063       5.758296      162.9439       9.698705      161.7395       6.205329      127.3736 3.807188 127.0636 2.441820 0.3100357      4.522960 
1 1 1 10 4  32 o 182.0156 2.187312 332.3347       7.948828      327.2339       12.56085      337.5064       9.734127      180.5326 3.478832 183.4986 2.652371 -2.966034      4.374625 
1 1 1 10 4  33 o 141.5640 2.126479 201.1295       5.992794      193.9032       9.443663      208.2848       7.374983      138.9709 3.397712 144.1571 2.557967 -5.186218      4.252957 
1 1 1 10 4  34 o 114.7166 2.291961 132.1971       5.290718      137.4397       8.628942      126.9546       6.119606      116.9224 3.690029 112.5108 2.719564 4.411606       4.583922 
1 1 1 10 4  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 4  36 o 128.4586 2.324762 166.0611       5.938951      159.4016       9.401155      172.7206       7.254546      125.7705 3.737424 131.1466 2.765815 -5.376114      4.649523 
1 1 1 10 4  37 o 69.59137 2.947080 49.00361       4.089183      48.23140       6.587893      49.76874       4.847227      68.91811 4.779508 70.26463 3.449265 -1.346519      5.894160 
1 1 1 10 4  38 o 191.8601 2.361673 371.5830       9.061099      372.0080       14.45242      371.1579       10.93141      191.7241 3.769066 191.9962 2.846778 -0.2721100     4.723347 
1 1 1 10 4  39 o 48.22044 3.879361 23.92442       3.743459      24.21488       6.011213      23.63395       4.463246      48.32001 6.220211 48.12087 4.637537 0.1991463      7.758723 
1 1 1 10 4  40 o 16.97685 5.198268 0.5559221E-01  3.290758      2.102685       5.397694      -1.991458      3.766129      20.22433 8.311600 13.72937 6.245420 6.494954       10.39654 
1 1 1 10 4  41 o 58.91105 3.242309 35.90434       3.892942      40.26131       6.544678      31.54736       4.218830      62.22726 5.258690 55.59484 3.794265 6.632427       6.484617 
1 1 1 10 4  42 o 121.3606 3.175642 0.000000       0.000000      ?              ?             152.5297       7.707955      ?        ?        121.3606 3.175642 ?              ?        
1 1 1 10 4  43 o 45.45253 3.327236 22.23830       3.133482      28.06178       5.335350      16.41483       3.287925      51.24368 5.205862 39.66138 4.144996 11.58230       6.654471 
1 1 1 10 4  44 o 30.21540 5.297779 11.25730       3.196534      12.49000       4.681449      10.03168       4.354145      31.94077 7.456664 28.49004 7.527551 3.450737       10.59556 
1 1 1 10 4  45 o 94.19851 3.262516 97.48296       5.977208      84.87252       9.358648      110.0934       7.438744      86.52751 5.407903 101.8695 3.651114 -15.34200      6.525033 
1 1 1 10 5  0  o 293.6966 4.812796 863.6028       28.25306      863.6028       28.25306      863.6028       28.25306      293.6966 4.812796 293.6966 4.812796 -0.000000      0.000000 
1 1 1 10 5  1  o 561.8409 5.409986 3163.237       60.86309      3133.482       76.22942      3192.284       94.86169      559.3426 6.814197 564.3392 8.404671 -4.996582      10.81997 
1 1 1 10 5  2  o 207.3348 2.525223 430.8095       10.58427      395.8120       12.31998      465.7361       17.21538      198.9181 3.096745 215.7514 3.989633 -16.83327      5.050446 
1 1 1 10 5  3  o 349.7637 3.181746 1224.205       22.25956      1217.120       31.33482      1231.289       31.61820      348.7520 4.492422 350.7754 4.506902 -2.023346      6.363492 
1 1 1 10 5  4  o 141.5872 1.944327 200.5627       5.506795      198.5082       7.807138      202.5464       7.764632      140.8741 2.770964 142.3003 2.728256 -1.426239      3.888653 
1 1 1 10 5  5  o 210.6875 2.504219 444.0576       10.54885      446.6789       13.45350      441.5071       16.24480      211.3098 3.183358 210.0651 3.866611 1.244766       5.008438 
1 1 1 10 5  6  o 56.58884 2.572892 32.07161       2.911737      30.10212       4.018339      34.03402       4.215996      54.85242 3.662863 58.32525 3.614212 -3.472828      5.145784 
1 1 1 10 5  7  o 351.6861 3.199570 1238.374       22.51460      1197.283       30.91683      1278.755       32.74464      345.9015 4.469023 357.4706 4.580047 -11.56909      6.399140 
1 1 1 10 5  8  f 439.4813 3.619117 1933.365       31.79531      1922.030       47.81341      1943.992       41.93326      438.2089 5.455550 440.7538 4.756994 -2.544861      7.238233 
1 1 1 10 5  9  o 511.7360 4.147001 2621.272       42.41501      2595.059       63.55521      2647.484       56.18731      509.1452 6.241364 514.3267 5.462220 -5.181427      8.294002 
1 1 1 10 5  10 o 467.5857 3.545387 2187.699       33.15554      2186.282       46.87117      2189.116       46.90659      467.4343 5.013664 467.7372 5.014205 -0.3028564     7.090774 
1 1 1 10 5  11 o 293.5475 2.609020 862.1858       15.28839      833.8478       22.51460      890.5239       20.69388      288.7171 3.899076 298.3780 3.467729 -9.660858      5.218040 
1 1 1 10 5  12 o 346.8880 3.184063 1204.368       22.09661      1172.488       30.56261      1235.540       31.92284      342.3470 4.463689 351.4290 4.541861 -9.082062      6.368125 
1 1 1 10 5  13 o 407.7988 3.146577 1664.153       25.66721      1647.151       35.93976      1680.448       36.64821      405.7593 4.428704 409.8383 4.471058 -4.078918      6.293153 
1 1 1 10 5  14 o 550.1071 4.112664 3028.631       45.24882      3051.302       64.41244      3005.961       63.56938      552.1648 5.832719 548.0494 5.799603 4.115356       8.225327 
1 1 1 10 5  15 o 288.0979 2.604389 830.3055       15.02626      845.1830       23.06719      815.4280       19.26989      290.6727 3.967898 285.5232 3.374487 5.149475       5.208779 
1 1 1 10 5  16 o 472.1619 3.588718 2230.915       33.89233      2248.626       48.23140      2213.203       47.62213      474.0354 5.087320 470.2884 5.063077 3.747070       7.177436 
1 1 1 10 5  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 5  18 o 408.5714 3.460135 1670.529       28.23889      1706.660       37.78882      1634.398       41.96868      413.0061 4.574850 404.1366 5.192389 8.869568       6.920271 
1 1 1 10 5  19 o 441.8411 3.679833 1953.910       32.50377      1939.741       48.59979      1968.079       43.17305      440.2156 5.519999 443.4665 4.867680 -3.250824      7.359666 
1 1 1 10 5  20 o 454.0750 4.016612 2064.428       36.47818      2076.472       51.68864      2052.385       51.48319      455.4001 5.675080 452.7500 5.685609 2.650146       8.033224 
1 1 1 10 5  21 o 207.1335 2.164181 429.2509       8.954830      422.7332       13.22680      435.7687       12.08619      205.5562 3.217319 208.7108 2.895440 -3.154602      4.328362 
1 1 1 10 5  22 f 134.1492 2.290125 180.0176       6.149361      181.0094       10.03876      179.0966       7.105771      134.4943 3.732041 133.8041 2.655290 0.6901855      4.580250 
1 1 1 10 5  23 o 488.1446 4.387048 2388.899       42.82591      2391.733       72.47462      2386.066       45.66680      488.1675 7.423131 488.1217 4.677809 0.4577637E-01  8.774096 
1 1 1 10 5  24 o 123.8115 2.206009 153.5215       5.406196      144.8784       8.791886      162.2355       6.295302      120.2886 3.654496 127.3345 2.471955 -7.045853      4.412018 
1 1 1 10 5  25 o 79.70832 3.412410 64.51871       5.027883      49.90334       8.841478      79.13406       4.789134      70.49387 6.271098 88.92278 2.692862 -18.42891      6.824820 
1 1 1 10 5  26 o 111.2527 2.697086 124.1208       5.874482      115.1234       10.27963      133.1889       5.690993      107.1417 4.797214 115.3637 2.466544 -8.221954      5.394173 
1 1 1 10 5  27 o 204.1003 2.202900 417.2072       8.969000      407.9265       13.85023      426.4880       11.40607      201.7993 3.431685 206.4014 2.763081 -4.602066      4.405800 
1 1 1 10 5  28 o 157.5580 2.047840 248.7374       6.485168      258.0890       10.47092      239.3858       7.658363      160.4865 3.262242 154.6294 2.476361 5.857132       4.095679 
1 1 1 10 5  29 o 175.3041 2.103890 307.9640       7.360813      303.2174       11.60444      312.7106       9.061099      173.9068 3.336397 176.7014 2.563957 -2.794693      4.207781 
1 1 1 10 5  30 o 185.4041 2.153341 344.5909       7.998421      350.0460       12.75922      339.1359       9.656199      186.8148 3.414938 183.9933 2.624062 2.821487       4.306681 
1 1 1 10 5  31 o 69.17850 2.530216 48.07554       3.530924      50.80308       5.800095      45.35508       4.028965      71.10052 4.078799 67.25647 2.995225 3.844048       5.060432 
1 1 1 10 5  32 o 161.0871 2.126024 260.3560       6.845061      258.8683       10.98100      261.7729       8.168448      160.5625 3.419541 161.6117 2.527183 -1.049210      4.252048 
1 1 1 10 5  33 o 191.6855 2.457499 369.3159       9.528677      386.6730       16.62028      351.8880       9.316141      195.9961 4.239952 187.3749 2.485963 8.621170       4.914998 
1 1 1 10 5  34 o 159.4913 2.196553 255.3969       7.047678      263.5441       11.80989      247.3205       7.693786      161.9077 3.647106 157.0749 2.449083 4.832870       4.393107 
1 1 1 10 5  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 5  36 o 170.3087 2.233802 291.6696       7.622942      295.7078       12.63170      287.7023       8.543928      171.3041 3.686921 169.3132 2.523113 1.990860       4.467604 
1 1 1 10 5  37 o 124.5003 2.250322 156.0719       5.619440      158.7640       9.408240      153.4507       6.146527      125.3904 3.751578 123.6102 2.486254 1.780228       4.500643 
1 1 1 10 5  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 5  39 o 91.69489 2.344776 85.08506       4.349185      89.97337       7.410406      80.19674       4.550386      94.12697 3.936388 89.26279 2.548871 4.864174       4.689551 
1 1 1 10 5  40 o 63.54852 5.958898 44.58287       6.380316      34.79207       12.10744      54.36659       4.023298      53.72291 11.59816 73.37414 2.741632 -19.65123      11.91780 
1 1 1 10 5  41 o 100.3109 2.820722 103.2214       5.446577      92.38211       9.656199      113.9899       5.037092      94.29784 5.120052 106.3241 2.368745 -12.02621      5.641444 
1 1 1 10 5  42 o 61.46333 3.412745 39.82915       3.993543      35.69889       7.204955      43.95943       3.443784      57.15016 6.303530 65.77651 2.617792 -8.626354      6.825491 
1 1 1 10 5  43 o 48.17017 4.925925 26.99910       4.065805      16.49984       6.490126      37.49126       4.900361      36.39152 8.964061 59.94882 4.087121 -23.55730      9.851850 
1 1 1 10 5  44 o 28.15774 5.842807 10.48509       3.584766      13.34723       5.949578      7.622942       4.000627      31.52363 8.993044 24.79185 7.461818 6.731779       11.68561 
1 1 1 10 5  45 f 18.40116 5.239052 2.847268       3.258170      0.8643113      5.370772      4.830933       3.691034      16.97435 7.614699 19.82797 7.197711 -2.853621      10.47810 
1 1 1 10 6  0  o 327.3002 5.256352 1072.596       34.38825      1072.596       34.38825      1072.596       34.38825      327.3002 5.256352 327.3002 5.256352 0.000000       0.000000 
1 1 1 10 6  1  o 156.5177 2.929750 245.1243       9.174451      245.4077       16.03226      244.8410       8.919409      156.5835 5.119397 156.4518 2.850529 0.1316986      5.859500 
1 1 1 10 6  2  o 174.0732 3.214579 303.2882       11.25021      311.2937       18.81648      295.2827       12.32706      176.3472 5.335066 171.7992 3.587637 4.548050       6.429158 
1 1 1 10 6  3  o 121.8421 2.923965 148.5623       7.169532      151.7504       12.63170      145.3743       6.771382      123.1297 5.129425 120.5545 2.808433 2.575279       5.847931 
1 1 1 10 6  4  o 364.3091 3.698524 1329.056       26.88575      1295.758       40.99102      1361.644       34.80624      359.7593 5.697007 368.8590 4.718095 -9.099670      7.397048 
1 1 1 10 6  5  o 224.7365 2.506314 505.2678       11.28564      510.9354       18.58269      499.6710       12.81589      225.9719 4.111727 223.5010 2.867077 2.470840       5.012627 
1 1 1 10 6  6  o 265.0255 2.606914 702.8550       13.82190      717.6617       19.97834      687.9067       19.10695      267.8296 3.729674 262.2214 3.643285 5.608215       5.213827 
1 1 1 10 6  7  o 398.1804 3.333728 1586.224       26.53860      1579.139       40.00627      1594.017       34.88417      397.2276 5.035686 399.1331 4.369991 -1.905518      6.667456 
1 1 1 10 6  8  o 338.4675 2.917175 1146.275       19.72330      1122.188       29.36533      1170.362       26.33315      334.9005 4.384187 342.0346 3.849487 -7.134064      5.834351 
1 1 1 10 6  9  o 355.1862 2.902167 1262.461       20.60886      1258.919       32.57461      1265.295       25.25630      354.7187 4.591613 355.6536 3.550689 -0.9349060     5.804335 
1 1 1 10 6  10 o 326.8981 2.730059 1069.054       17.88841      1086.765       28.67104      1051.342       21.40233      329.5915 4.349482 324.2047 3.300744 5.386841       5.460119 
1 1 1 10 6  11 o 797.4091 5.842431 6367.564       93.16142      6419.282       132.8347      6315.848       130.7094      800.6429 8.295504 794.1752 8.229252 6.467712       11.68486 
1 1 1 10 6  12 o 769.4552 5.647828 5928.325       86.92703      5926.908       122.8455      5930.450       122.9872      769.3407 7.983819 769.5697 7.990649 -0.2290039     11.29566 
1 1 1 10 6  13 o 145.5670 1.792093 211.8979       5.217747      213.3857       7.410406      210.4810       7.346645      146.0657 2.536668 145.0682 2.532135 0.9975128      3.584186 
1 1 1 10 6  14 o 780.4691 6.193940 6101.896       96.77451      6040.260       125.1834      6162.822       147.5705      776.6484 8.059208 784.2897 9.407907 -7.641296      12.38788 
1 1 1 10 6  15 o 270.2708 2.930648 731.1223       15.99684      767.2533       27.12662      695.1329       16.97450      276.9186 4.897940 263.6230 3.219466 13.29565       5.861295 
1 1 1 10 6  16 o 377.1370 3.198973 1423.280       24.16529      1450.909       36.89617      1395.650       31.21438      380.7819 4.844790 373.4920 4.178722 7.289948       6.397946 
1 1 1 10 6  17 o 168.5759 2.379003 284.3017       8.048012      290.8195       13.17720      277.7840       9.252379      170.5003 3.864275 166.6514 2.775969 3.848938       4.758006 
1 1 1 10 6  18 o 517.7557 4.776700 2683.615       49.43577      2680.073       80.33842      2687.866       57.67506      517.2789 7.765486 518.2326 5.564592 -0.9537354     9.553400 
1 1 1 10 6  19 o 319.4728 3.370326 1021.588       21.58652      1047.092       33.53102      996.0833       27.19038      323.4384 5.183525 315.5071 4.308997 7.931366       6.740651 
1 1 1 10 6  20 o 296.4690 2.872575 879.8971       17.03118      873.5211       23.76856      885.5648       24.40616      295.4561 4.022351 297.4819 4.102126 -2.025879      5.745149 
1 1 1 10 6  21 o 146.0067 2.110329 213.3148       6.158571      219.6201       8.657280      207.0096       8.763549      148.1663 2.921475 143.8471 3.046134 4.319183       4.220657 
1 1 1 10 6  22 o 259.1935 2.590864 672.2499       13.43225      667.2199       18.72438      677.3507       19.26280      258.2189 3.625680 260.1681 3.701992 -1.949219      5.181728 
1 1 1 10 6  23 o 58.84290 2.737487 34.70705       3.229123      32.38333       4.282591      37.02369       4.834475      56.87548 3.764883 60.81031 3.975046 -3.934822      5.474974 
1 1 1 10 6  24 o 168.1732 2.238506 283.0974       7.523758      277.2172       10.96683      289.0483       10.30089      166.4093 3.295139 169.9372 3.030792 -3.527954      4.477013 
1 1 1 10 6  25 f 238.0867 2.384780 567.6116       11.36357      570.0912       17.71129      565.0612       14.23280      238.5823 3.711779 237.5911 2.995229 0.9911652      4.769560 
1 1 1 10 6  26 o 135.0330 2.025818 182.4972       5.472082      182.4972       8.699788      182.5680       6.635359      135.0009 3.222122 135.0650 2.456357 -0.6413269E-01 4.051637 
1 1 1 10 6  27 o 145.6422 2.322263 212.7481       6.682826      198.2248       10.79680      227.2005       7.877984      140.6323 3.838665 150.6522 2.614627 -10.01984      4.644526 
1 1 1 10 6  28 o 194.0400 2.211911 377.5339       8.636027      397.2289       13.78647      357.8390       10.40716      199.0608 3.462879 189.0191 2.752937 10.04169       4.423821 
1 1 1 10 6  29 o 131.0293 1.992190 172.0829       5.173115      163.2273       8.395153      181.0094       6.045219      127.5985 3.289675 134.4600 2.247961 -6.861519      3.984381 
1 1 1 10 6  30 o 29.05495 4.490748 8.529759       2.807594      2.745959       4.581558      14.31073       3.246126      20.37627 7.884509 37.73362 4.301371 -17.35735      8.981496 
1 1 1 10 6  31 o 219.5798 2.251232 483.5892       9.882903      482.4557       16.10311      484.7227       11.45567      219.2145 3.672911 219.9451 2.604211 -0.7305298     4.502464 
1 1 1 10 6  32 o 232.3148 2.317812 541.7531       10.74721      536.4397       17.41375      547.1373       12.61044      231.0246 3.768807 233.6050 2.699095 -2.580383      4.635625 
1 1 1 10 6  33 o 85.54799 2.299351 73.53729       3.895777      70.71766       6.667948      76.30025       4.030382      83.83640 3.976762 87.25958 2.309421 -3.423180      4.598702 
1 1 1 10 6  34 o 172.8417 2.258466 0.000000       0.000000      ?              ?             299.3917       7.807138      ?        ?        172.8417 2.258466 ?              ?        
1 1 1 10 6  35 o 20.78938 6.889435 -2.501543      7.071766      -3.237624      13.61644      -1.765462      3.812888      27.37693 12.20675 14.20184 6.391597 13.17509       13.77887 
1 1 1 10 6  36 o 64.99341 4.572008 44.14363       6.512797      55.69139       12.48292      32.59587       3.715830      73.07244 8.541470 56.91437 3.264404 16.15807       9.144016 
1 1 1 10 6  37 o 78.30522 4.196090 62.83968       6.501462      62.38626       12.32706      63.29308       4.127440      77.24522 7.979174 79.36521 2.600283 -2.119987      8.392180 
1 1 1 10 6  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 6  39 o 113.4835 3.340326 131.9137       7.346645      123.8374       13.77230      139.9901       5.107229      108.9486 6.320549 118.0184 2.163743 -9.069717      6.680653 
1 1 1 10 6  40 f 119.3624 3.339652 147.0037       7.934660      148.5623       14.87749      145.4451       5.510338      118.5775 6.273318 120.1473 2.293159 -1.569794      6.679304 
1 1 1 10 6  41 o 82.53459 4.858915 74.31659       7.297054      60.88435       13.21263      87.77718       6.183367      72.37831 9.127476 92.69087 3.335478 -20.31256      9.717831 
1 1 1 10 6  42 f 32.85426 6.047017 11.35648       5.107938      5.312680       9.103605      17.40666       4.631149      25.39445 10.64303 40.31407 5.743837 -14.91963      12.09403 
1 1 1 10 6  43 o 44.13680 5.505986 23.62687       5.013005      30.73264       9.054014      16.52818       4.299594      49.22465 9.536991 39.04895 5.505391 10.17570       11.01197 
1 1 1 10 6  44 o 15.05464 4.827708 -1.182406      3.300677      -2.782798      5.555679      0.4181283      3.565638      15.38754 7.207432 14.72174 6.424949 0.6658039      9.655416 
1 1 1 10 6  45 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 7  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 7  1  o 167.2325 2.125638 279.7676       7.105771      283.2390       9.996255      276.2962       10.10961      168.2707 2.970289 166.1943 3.041502 2.076416       4.251276 
1 1 1 10 7  2  o 347.2104 3.197856 1206.493       22.20996      1224.913       31.80948      1188.074       31.00185      349.8597 4.546034 344.5611 4.498744 5.298584       6.395712 
1 1 1 10 7  3  o 375.4439 3.614556 1410.527       27.11245      1402.734       44.15780      1419.029       31.47651      374.3030 5.898670 376.5849 4.179206 -2.281860      7.229113 
1 1 1 10 7  4  o 148.5190 2.211910 220.7536       6.631817      231.7346       11.15103      209.8434       7.183701      152.1934 3.663440 144.8445 2.479797 7.348907       4.423820 
1 1 1 10 7  5  o 317.8512 3.179104 1010.961       20.19796      1008.127       33.00677      1013.794       23.29390      317.3704 5.200039 318.3320 3.658742 -0.9616089     6.358207 
1 1 1 10 7  6  o 142.3974 2.208884 202.9006       6.249961      195.3201       10.14503      210.4810       7.304138      139.7290 3.630251 145.0657 2.517528 -5.336655      4.417768 
1 1 1 10 7  7  o 168.3331 1.994484 283.9475       6.774924      308.3182       10.77555      259.5768       8.210957      175.5670 3.068787 161.0993 2.548414 14.46764       3.988969 
1 1 1 10 7  8  o 250.4933 2.378666 627.6883       11.92324      631.0889       18.12928      624.2169       15.48676      251.1736 3.608915 249.8131 3.099669 1.360504       4.757332 
1 1 1 10 7  9  o 462.9329 3.812702 2144.484       35.30215      2143.775       53.40310      2145.192       46.17689      462.8343 5.769137 463.0315 4.986366 -0.1971741     7.625405 
1 1 1 10 7  10 o 456.2976 3.767948 2083.557       34.33866      2036.799       51.02978      2130.314       45.96435      451.1601 5.655396 461.4351 4.980587 -10.27499      7.535897 
1 1 1 10 7  11 o 194.9846 2.120981 380.2969       8.260548      372.8582       12.39791      387.7357       10.91724      193.0748 3.210648 196.8944 2.772359 -3.819595      4.241961 
1 1 1 10 7  12 o 540.7756 4.977551 2928.031       53.98402      2975.498       88.98154      2880.565       61.14647      545.0496 8.162703 536.5018 5.698627 8.547791       9.955103 
1 1 1 10 7  13 o 118.1825 2.312961 139.7067       5.462872      138.9274       8.225125      140.4860       7.197870      117.8509 3.489632 118.5142 3.036713 -0.6632690     4.625922 
1 1 1 10 7  14 o 163.8937 2.386064 268.7158       7.814223      266.3779       11.83823      270.9828       10.20879      163.1884 3.627165 164.5990 3.101109 -1.410583      4.772128 
1 1 1 10 7  15 o 104.7598 2.264153 109.8100       4.718997      105.9135       7.474166      113.7065       5.767506      102.8966 3.631883 106.6231 2.704624 -3.726494      4.528307 
1 1 1 10 7  16 o 675.9581 6.158535 4579.433       83.38477      4631.149       137.2271      4527.007       94.86169      679.5548 10.09684 672.3615 7.054368 7.193359       12.31707 
1 1 1 10 7  17 o 674.1803 6.450410 4555.345       86.92703      4524.882       133.8265      4585.100       110.9436      671.8134 9.960098 676.5473 8.199245 -4.733948      12.90082 
1 1 1 10 7  18 o 363.8935 3.638042 1325.513       26.62362      1364.478       44.39159      1286.548       29.39366      369.1912 6.012005 358.5959 4.098439 10.59534       7.276085 
1 1 1 10 7  19 o 300.5526 2.933238 903.9844       17.62628      886.2732       24.98709      921.6958       24.87374      297.6057 4.198021 303.4995 4.097824 -5.893799      5.866476 
1 1 1 10 7  20 o 277.4533 2.992829 770.0871       16.64153      780.0054       27.56586      760.8772       18.66062      279.1360 4.937710 275.7706 3.383360 3.365479       5.985658 
1 1 1 10 7  21 o 636.1484 5.124869 4057.303       65.22716      4075.015       99.18325      4038.884       84.73083      637.4446 7.779755 634.8524 6.673271 2.592224       10.24974 
1 1 1 10 7  22 o 302.5371 2.645586 916.0281       15.99684      910.3606       25.37674      921.6958       19.47534      301.5692 4.207450 303.5051 3.208404 -1.935913      5.291172 
1 1 1 10 7  23 o 301.0463 2.646986 907.5267       15.89057      886.9816       25.01543      928.0718       19.60286      297.5896 4.203009 304.5030 3.218829 -6.913391      5.293972 
1 1 1 10 7  24 o 237.5232 2.548689 565.0612       12.18537      582.4890       20.78598      547.6332       12.73088      241.1193 4.310309 233.9272 2.721120 7.192154       5.097378 
1 1 1 10 7  25 o 237.4666 2.278296 564.6361       10.78264      551.1046       17.02410      578.2384       13.24805      234.5746 3.628717 240.3585 2.755893 -5.783936      4.556592 
1 1 1 10 7  26 o 67.19986 3.712594 45.34800       4.888317      43.06678       9.103605      47.63630       3.574140      65.41190 6.958676 68.98782 2.590413 -3.575920      7.425188 
1 1 1 10 7  27 o 150.5271 2.235810 0.000000       0.000000      ?              ?             226.7754       6.731000      ?        ?        150.5271 2.235810 ?              ?        
1 1 1 10 7  28 o 49.76685 4.555936 25.10753       4.728208      28.37349       8.806056      21.84157       3.450160      52.86824 8.328303 46.66545 3.696697 6.202793       9.111872 
1 1 1 10 7  29 o 117.5008 2.815528 138.6440       6.559555      134.4642       11.44858      142.7530       6.405821      115.6239 4.950785 119.3777 2.683006 -3.753777      5.631056 
1 1 1 10 7  30 o 192.0118 2.645108 370.1660       10.18045      373.7083       18.49767      366.6946       8.508506      192.6689 4.800381 191.3548 2.223228 1.314026       5.290217 
1 1 1 10 7  31 o 131.1693 2.713509 173.1456       7.318307      187.0313       13.67312      159.1891       5.214205      136.2489 5.017701 126.0898 2.067655 10.15903       5.427018 
1 1 1 10 7  32 o 152.8845 2.700623 235.4185       8.515590      256.6012       15.87640      214.2358       6.140860      159.5115 4.976570 146.2574 2.099333 13.25409       5.401245 
1 1 1 10 7  33 o 39.16001 6.423630 15.50801       5.533009      13.09927       10.59135      17.91675       3.216371      36.11274 12.26925 42.20728 3.810209 -6.094543      12.84726 
1 1 1 10 7  34 o 145.2296 3.366237 213.2440       9.613690      205.7344       18.01593      220.6827       6.723207      142.0859 6.339802 148.3734 2.265639 -6.287460      6.732474 
1 1 1 10 7  35 o 106.9254 3.742990 116.0444       7.998421      117.3196       15.20337      114.8400       4.983250      106.8459 7.114627 107.0050 2.328513 -0.1590652     7.485980 
1 1 1 10 7  36 o 121.0164 3.208701 148.5623       7.955913      159.4016       15.05460      137.7230       5.153278      124.8531 6.028928 117.1797 2.198879 7.673393       6.417401 
1 1 1 10 7  37 o 49.39835 6.032296 26.74405       6.290343      33.94193       12.09327      19.53910       3.462912      54.84663 11.40324 43.95007 3.939598 10.89656       12.06459 
1 1 1 10 7  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 7  39 o 50.46495 6.656912 28.31682       6.340643      24.19363       12.23496      32.44001       3.332557      44.25479 12.98515 56.67510 2.940054 -12.42031      13.31382 
1 1 1 10 7  40 o 118.5350 3.526481 145.9411       8.352647      149.0583       15.24588      142.7530       6.822391      118.3470 6.441176 118.7229 2.873242 -0.3758163     7.052961 
1 1 1 10 7  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 7  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 7  43 o 35.94546 5.762638 15.24588       4.755128      9.139028       8.735210      21.34565       3.753378      26.85039 10.74574 45.04052 4.166667 -18.19013      11.52528 
1 1 1 10 7  44 o 66.00800 3.732122 48.16764       4.816764      48.42268       8.806056      47.91259       3.905694      63.88665 6.891937 68.12934 2.866382 -4.242691      7.464244 
1 1 1 10 8  0  o 289.4093 3.437973 838.0985       19.89333      838.0985       19.89333      838.0985       19.89333      289.4093 3.437973 289.4093 3.437973 -0.000000      0.000000 
1 1 1 10 8  1  o 273.2077 2.335521 746.7082       12.75922      741.0406       17.93091      752.3758       18.16470      272.1711 3.294052 274.2443 3.311774 -2.073212      4.671041 
1 1 1 10 8  2  o 421.3716 3.257756 1776.797       27.45251      1786.715       39.02861      1766.879       38.62479      422.5469 4.618258 420.1962 4.596042 2.350739       6.515512 
1 1 1 10 8  3  o 481.9494 3.960380 2325.139       38.19972      2347.101       58.19931      2303.177       49.49952      484.1889 6.009980 479.7099 5.159319 4.479065       7.920759 
1 1 1 10 8  4  o 603.8934 4.850701 3652.778       58.49686      3554.302       86.43112      3751.252       78.85069      595.7004 7.254580 612.0864 6.441141 -16.38599      9.701403 
1 1 1 10 8  5  o 351.6360 3.257674 1237.665       22.91133      1256.793       32.86508      1217.829       31.93701      354.4032 4.636679 348.8689 4.577222 5.534363       6.515347 
1 1 1 10 8  6  o 178.9400 2.360638 320.3619       8.508506      332.0514       14.20446      308.7433       9.358648      182.1858 3.898345 175.6943 2.663334 6.491501       4.721275 
1 1 1 10 8  7  o 299.3188 3.525468 0.000000       0.000000      ?              ?             896.1915       21.10478      ?        ?        299.3188 3.525468 ?              ?        
1 1 1 10 8  8  o 465.3255 4.379591 2167.154       40.78557      2175.655       66.92036      2158.653       46.63738      466.1695 7.177685 464.4815 5.020370 1.687958       8.759183 
1 1 1 10 8  9  o 583.7849 6.893996 3414.738       80.48012      3414.029       143.8866      3415.446       72.04955      583.3810 12.33213 584.1887 6.166633 -0.8077393     13.78799 
1 1 1 10 8  10 o 342.9478 3.564744 1177.447       24.59036      1234.832       39.26240      1120.062       29.62745      351.2895 5.588326 334.6062 4.427212 16.68323       7.129488 
1 1 1 10 8  11 o 70.77883 2.845411 50.12296       4.019047      48.62104       6.017590      51.63196       5.329682      69.71374 4.315928 71.84393 3.709209 -2.130188      5.690823 
1 1 1 10 8  12 o 586.3485 5.643720 3443.784       66.10564      3399.152       101.3086      3487.708       84.94337      582.4948 8.696095 590.2021 7.196125 -7.707336      11.28744 
1 1 1 10 8  13 o 268.2482 3.796482 0.000000       0.000000      ?              ?             719.7870       20.36799      ?        ?        268.2482 3.796482 ?              ?        
1 1 1 10 8  14 o 409.3561 3.705781 1676.905       30.34299      1700.993       43.73273      1652.818       42.08204      412.2931 5.303596 406.4192 5.177172 5.873932       7.411561 
1 1 1 10 8  15 o 826.1030 7.019070 6843.645       115.9736      6793.344       163.0148      6893.944       164.9984      823.0726 9.902818 829.1334 9.950053 -6.060852      14.03814 
1 1 1 10 8  16 o 459.9017 4.637921 2117.562       42.70547      2138.107       67.06204      2097.017       52.89301      462.0741 7.256634 457.7294 5.777760 4.344727       9.275842 
1 1 1 10 8  17 o 138.7890 2.604327 193.1948       7.240376      174.2083       9.656199      212.1105       10.79680      131.9644 3.658636 145.6135 3.707351 -13.64902      5.208654 
1 1 1 10 8  18 o 197.4928 2.465998 390.8529       9.783719      422.8748       14.94125      358.8308       12.63170      205.5931 3.633695 189.3925 3.334793 16.20058       4.931996 
1 1 1 10 8  19 o 512.1653 4.044002 2626.939       41.41609      2624.105       65.57430      2629.064       50.61179      511.8379 6.405768 512.4927 4.937807 -0.6548767     8.088003 
1 1 1 10 8  20 o 209.4373 2.417948 439.0276       10.05293      422.7332       16.64153      455.3220       11.28564      205.5265 4.048512 213.3481 2.644888 -7.821548      4.835895 
1 1 1 10 8  21 o 257.3001 2.778191 662.6149       14.26113      652.1299       23.12387      673.0292       16.69112      255.2386 4.529853 259.3615 3.217733 -4.122940      5.556381 
1 1 1 10 8  22 o 48.86500 3.574564 23.93859       3.461496      22.58544       5.534425      25.29173       4.160029      47.46870 5.829552 50.26129 4.138402 -2.792587      7.149129 
1 1 1 10 8  23 o 410.2497 3.338070 1686.824       27.31790      1652.110       42.80466      1721.538       33.95610      405.9193 5.272558 414.5800 4.095240 -8.660706      6.676141 
1 1 1 10 8  24 o 90.54538 2.162852 82.03871       3.926948      83.59731       6.322224      80.55096       4.659488      91.37299 3.459570 89.71778 2.596747 1.655205       4.325704 
1 1 1 10 8  25 o 307.0815 3.179171 946.4916       19.22029      879.8971       32.09286      1013.086       21.15437      296.0911 5.419425 318.0718 3.325408 -21.98071      6.358341 
1 1 1 10 8  26 o 159.8348 2.185893 255.8219       6.991002      256.7429       11.76030      254.9009       7.566265      160.0775 3.673314 159.5920 2.370502 0.4854889      4.371787 
1 1 1 10 8  27 o 62.75846 4.167891 39.85041       4.932241      33.90651       9.046929      45.79432       3.930490      57.89894 7.812690 67.61797 2.906395 -9.719028      8.335781 
1 1 1 10 8  28 o 118.6609 2.728895 141.4778       6.636776      151.6087       12.38374      131.3470       4.779216      122.7722 5.043382 114.5496 2.086090 8.222580       5.457790 
1 1 1 10 8  29 f 175.9572 2.635286 310.7269       9.209873      304.7051       16.71946      316.6779       7.722124      174.0633 4.802696 177.8511 2.170953 -3.787766      5.270571 
1 1 1 10 8  30 o 51.75305 4.506009 27.56586       5.078891      34.35991       9.670367      20.76472       3.120022      58.01772 8.333978 45.48838 3.429471 12.52934       9.012017 
1 1 1 10 8  31 o 75.19923 3.731123 57.07287       5.516714      55.07504       10.40007      59.07071       3.693868      73.61367 7.063954 76.78478 2.405339 -3.171112      7.462245 
1 1 1 10 8  32 o 189.1221 2.796089 360.3894       10.23004      325.6753       18.33473      395.0327       9.089437      179.6675 5.102406 198.5767 2.288646 -18.90921      5.592177 
1 1 1 10 8  33 o 224.0104 2.943039 505.1970       13.13470      501.4422       23.85357      508.9517       11.00226      222.6836 5.355935 225.3372 2.441288 -2.653595      5.886078 
1 1 1 10 8  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 8  35 o 246.9630 3.065212 616.2114       14.99084      600.7672       26.97784      631.5848       13.07094      243.0757 5.549268 250.8503 2.605326 -7.774551      6.130424 
1 1 1 10 8  36 o 139.8204 3.146595 198.1540       8.558097      185.7561       15.93308      210.5519       6.252087      134.7576 5.911757 144.8832 2.157630 -10.12561      6.293190 
1 1 1 10 8  37 o 52.05479 6.197318 29.20238       6.298136      30.69721       12.09327      27.70755       3.528090      51.70566 11.92876 52.40393 3.366246 -0.6982689     12.39464 
1 1 1 10 8  38 o 115.3247 3.406005 136.0228       7.658363      130.1426       14.50909      141.8320       4.930116      111.8055 6.488544 118.8439 2.074198 -7.038460      6.812011 
1 1 1 10 8  39 o 36.50892 6.208633 11.91616       6.077100      1.574888       11.34231      22.25247       4.368313      26.43513 11.49800 46.58270 4.688772 -20.14757      12.41727 
1 1 1 10 8  40 o 94.37025 4.069805 93.58647       7.325392      84.65999       13.34015      102.5130       6.050887      88.19322 7.563023 100.5473 3.008976 -12.35406      8.139609 
1 1 1 10 8  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 8  42 o 26.10498 7.681086 7.438744       8.055097      8.480167       15.30256      6.402279       5.027174      28.64774 12.85232 23.56223 8.415116 5.085503       15.36217 
1 1 1 10 8  43 o 29.79168 6.388206 11.71071       4.804011      13.72979       8.969000      9.698705       3.452286      30.54893 11.20715 29.03443 6.134855 1.514500       12.77641 
1 1 1 10 8  44 o 30.79453 5.465740 11.69654       4.107604      9.585353       7.672533      13.80064       2.943617      25.65452 10.13517 35.93454 4.095806 -10.28002      10.93148 
1 1 1 10 9  0  o 217.8466 4.218207 475.2294       18.36307      475.2294       18.36307      475.2294       18.36307      217.8466 4.218207 217.8466 4.218207 -0.000000      0.000000 
1 1 1 10 9  1  o 249.5867 2.233423 623.1542       11.15103      624.9253       15.80556      621.3122       15.72763      249.9485 3.161764 249.2250 3.155307 0.7234344      4.466846 
1 1 1 10 9  2  o 337.5510 2.735148 1139.899       18.46225      1143.441       26.18438      1136.357       26.04269      338.0753 3.872566 337.0267 3.863595 1.048615       5.470295 
1 1 1 10 9  3  o 340.2155 2.751635 1157.610       18.72438      1150.526       26.35441      1165.403       26.60237      339.1230 3.885671 341.3081 3.897119 -2.185150      5.503270 
1 1 1 10 9  4  o 572.8076 4.295096 3284.382       49.20906      3318.388       70.25716      3250.377       68.91819      575.7706 6.101142 569.8447 6.047103 5.925903       8.590192 
1 1 1 10 9  5  o 229.9747 2.137419 529.0718       9.833311      520.8538       13.77230      537.2189       14.03443      228.1962 3.017645 231.7533 3.027882 -3.557068      4.274839 
1 1 1 10 9  6  f 341.8243 3.544534 1168.946       24.17946      1140.607       36.67655      1197.992       31.52611      337.6124 5.431754 346.0363 4.555318 -8.423920      7.089067 
1 1 1 10 9  7  o 211.1150 2.622686 445.8287       11.07310      444.9786       16.98159      446.6789       14.21154      210.9081 4.025827 211.3219 3.362535 -0.4137878     5.245371 
1 1 1 10 9  8  o 254.7621 2.745061 649.2961       14.01318      657.0891       22.98217      641.4323       16.04643      256.2849 4.483716 253.2392 3.168236 3.045700       5.490122 
1 1 1 10 9  9  o 276.2619 3.750754 763.7111       20.83557      777.1716       37.44168      750.2504       18.27806      278.6482 6.718449 273.8755 3.336928 4.772705       7.501509 
1 1 1 10 9  10 o 236.5186 3.544974 559.7477       16.73363      554.7178       28.86941      564.7778       16.91783      235.4217 6.131425 237.6156 3.559916 -2.193863      7.089949 
1 1 1 10 9  11 o 410.4362 4.185621 1686.115       34.42367      1713.036       54.27449      1659.194       42.35125      413.6734 6.560065 407.1991 5.200313 6.474365       8.371243 
1 1 1 10 9  12 o 355.3056 3.735532 1263.170       26.55986      1268.837       41.59320      1257.502       33.03511      356.0795 5.840438 354.5317 4.658978 1.547821       7.471063 
1 1 1 10 9  13 o 232.7442 2.890282 542.2490       13.38974      571.0830       17.47751      513.4858       20.28297      238.9373 3.657341 226.5510 4.476470 12.38635       5.780565 
1 1 1 10 9  14 o 206.2847 2.254950 425.6378       9.294888      420.0410       14.04860      431.3055       12.17120      204.9154 3.427902 207.6540 2.930644 -2.738617      4.509899 
1 1 1 10 9  15 o 116.4240 3.757551 135.5977       8.749379      135.5977       8.749379      ?              ?             116.4240 3.757551 ?        ?        ?              ?        
1 1 1 10 9  16 o 667.8227 6.133638 4468.206       81.82619      4441.993       133.4723      4495.126       94.72000      665.6201 10.02616 670.0253 7.068390 -4.405151      12.26728 
1 1 1 10 9  17 o 105.3073 2.950036 111.0144       6.218790      116.1152       9.075267      105.9135       8.501422      107.7274 4.212145 102.8873 4.131424 4.840096       5.900071 
1 1 1 10 9  18 o 199.1726 2.559164 396.9455       10.21588      401.9755       16.55652      391.8447       11.96575      200.4287 4.130276 197.9165 3.022928 2.512222       5.118327 
1 1 1 10 9  19 o 102.6853 3.136056 0.000000       0.000000      ?              ?             105.4885       6.440535      ?        ?        102.6853 3.136056 ?              ?        
1 1 1 10 9  20 o 222.0189 2.366735 493.3658       10.47800      474.4502       15.65678      512.2815       13.93525      217.7521 3.595093 226.2856 3.079129 -8.533447      4.733469 
1 1 1 10 9  21 o 225.0334 2.386514 506.7556       10.75430      514.8319       16.62028      498.6792       13.65895      226.8139 3.663857 223.2529 3.059077 3.561096       4.773028 
1 1 1 10 9  22 o 244.9986 3.195280 0.000000       0.000000      ?              ?             600.7672       15.65678      ?        ?        244.9986 3.195280 ?              ?        
1 1 1 10 9  23 o 235.7291 2.432687 557.5516       11.41316      505.6221       16.44317      609.4811       15.82681      224.7091 3.658767 246.7490 3.207067 -22.03990      4.865373 
1 1 1 10 9  24 o 320.1104 2.788783 1026.547       17.87424      1034.340       28.67104      1018.754       21.34565      321.2458 4.462477 318.9750 3.345975 2.270813       5.577567 
1 1 1 10 9  25 o 188.9363 2.334912 357.5556       8.876901      367.7573       15.12545      347.3539       9.294888      191.5743 3.947670 186.2983 2.494624 5.276001       4.669823 
1 1 1 10 9  26 o 108.4842 2.054258 117.8864       4.446952      116.0444       7.183701      119.6575       5.240418      107.6297 3.337230 109.3387 2.396415 -1.709015      4.108517 
1 1 1 10 9  27 o 165.9764 2.065796 275.9420       6.869856      279.0592       11.23604      272.8956       7.906322      166.8552 3.367005 165.0977 2.394437 1.757477       4.131592 
1 1 1 10 9  28 o 140.5809 2.220358 198.4373       6.131650      181.5762       10.11669      215.2985       6.928658      134.5273 3.760089 146.6346 2.362560 -12.10727      4.440716 
1 1 1 10 9  29 o 51.64780 5.110404 27.46668       5.088101      27.96259       9.663282      26.97076       3.185908      51.42867 9.748460 51.86694 3.071232 -0.4382668     10.22081 
1 1 1 10 9  30 o 75.83257 3.705202 58.02220       5.720748      61.04729       10.83223      54.99002       3.681115      77.57725 6.981575 74.08788 2.484290 3.489372       7.410404 
1 1 1 10 9  31 o 145.0153 2.790876 211.4729       8.097604      212.5355       14.98375      210.4102       6.145111      145.0924 5.163520 144.9382 2.119907 0.1542206      5.581751 
1 1 1 10 9  32 o 89.83276 3.873569 82.10956       6.473125      68.86860       12.17829      95.28677       4.390984      82.14340 7.412820 97.52213 2.251276 -15.37872      7.747138 
1 1 1 10 9  33 o 130.8795 3.271767 172.8622       8.345562      162.6605       15.57885      183.1348       6.010505      126.5674 6.154372 135.1915 2.222959 -8.624146      6.543534 
1 1 1 10 9  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 9  35 o 111.5642 3.525284 126.1753       7.729208      122.2079       14.58702      130.2134       5.139110      109.1807 6.680219 113.9476 2.255031 -4.766922      7.050567 
1 1 1 10 9  36 o 43.34085 6.324236 22.76256       6.382442      36.18772       12.31289      9.337394       3.360895      56.95914 11.20780 29.72256 5.862510 27.23658       12.64847 
1 1 1 10 9  37 o 36.64708 6.510791 12.57502       6.163530      6.502879       11.82406      18.65354       3.494084      30.41747 12.36768 42.87669 4.074573 -12.45922      13.02158 
1 1 1 10 9  38 o 25.56215 7.154959 6.198953       6.109688      8.990252       11.76030      3.410487       3.329015      31.88963 12.56386 19.23466 6.850046 12.65496       14.30992 
1 1 1 10 9  39 o 108.3078 3.702319 121.2161       7.792970      114.2733       14.22571      128.2298       6.371107      103.9323 6.843739 112.6833 2.826996 -8.751038      7.404638 
1 1 1 10 9  40 o 47.49401 6.903240 25.85140       6.514922      23.22305       12.09327      28.48685       4.842976      42.40989 13.01569 52.57813 4.605505 -10.16824      13.80648 
1 1 1 10 9  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 9  42 o 47.69057 5.591024 26.45359       5.041343      26.58820       9.224042      26.31190       4.070055      45.12297 10.42318 50.25818 4.049148 -5.135212      11.18205 
1 1 1 10 9  43 f 18.27076 5.742133 1.788132       4.405862      10.93850       8.260548      -7.360813      3.058386      27.83960 10.63304 8.701920 4.338981 19.13768       11.48427 
1 1 1 10 9  44 o 26.49514 6.927284 10.83931       5.045594      16.32273       7.998421      5.350228       6.157155      31.59007 10.66213 21.40022 8.846918 10.18986       13.85457 
1 1 1 10 10 0  o 439.4769 4.810798 1932.656       42.27332      1932.656       42.27332      1932.656       42.27332      439.4769 4.810798 439.4769 4.810798 -0.000000      0.000000 
1 1 1 10 10 1  o 209.0577 2.241881 437.3273       9.351563      452.4173       12.52543      422.1664       13.89274      212.6779 2.944694 205.4375 3.381258 7.240479       4.483762 
1 1 1 10 10 2  o 93.97540 2.375454 88.34394       4.463246      89.76084       6.196119      86.92703       6.424950      94.72975 3.270419 93.22106 3.446083 1.508690       4.750908 
1 1 1 10 10 3  o 218.0583 2.421510 475.7254       10.56302      486.6355       15.04752      464.7444       14.82081      220.5676 3.411089 215.5490 3.437922 5.018646       4.843019 
1 1 1 10 10 4  o 183.6904 2.283875 337.6481       8.388069      349.8335       11.95158      325.3919       11.77447      187.0165 3.195328 180.3643 3.264080 6.652267       4.567750 
1 1 1 10 10 5  o 490.5695 4.314487 2408.736       42.34417      2364.104       58.65981      2453.369       61.07563      486.0285 6.034606 495.1106 6.167877 -9.082092      8.628973 
1 1 1 10 10 6  o 252.9777 2.913876 640.2278       14.76414      648.3751       22.87591      632.0806       18.66062      254.5790 4.492889 251.3764 3.711689 3.202637       5.827752 
1 1 1 10 10 7  f 738.6624 6.291862 5464.997       92.94887      5438.785       130.7094      5491.210       132.1971      736.8948 8.868930 740.4300 8.927050 -3.535217      12.58372 
1 1 1 10 10 8  o 687.6765 5.510311 4735.292       75.87518      4681.450       98.04973      4789.134       115.7610      683.8354 7.169103 691.5177 8.370070 -7.682312      11.02062 
1 1 1 10 10 9  o 285.3288 2.468115 814.7195       14.08402      811.1773       19.96417      817.5534       19.87207      284.7699 3.505316 285.8876 3.475504 -1.117706      4.936231 
1 1 1 10 10 10 o 165.9047 2.156492 275.4460       7.183701      287.9148       11.23604      262.9773       8.961915      169.6584 3.311373 162.1510 2.763447 7.507370       4.312984 
1 1 1 10 10 11 o 594.8267 5.316119 3542.968       63.46310      3597.518       108.3931      3487.708       66.01354      599.2789 9.043630 590.3745 5.590818 8.904358       10.63224 
1 1 1 10 10 12 o 439.2305 4.090668 1931.240       36.09562      1970.204       61.92577      1891.566       37.12288      443.6281 6.979468 434.8328 4.268638 8.795380       8.181335 
1 1 1 10 10 13 o 276.6029 3.042434 765.1279       16.82573      765.1279       27.84924      765.8364       18.90149      276.5128 5.035795 276.6930 3.415608 -0.1801453     6.084867 
1 1 1 10 10 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 10 15 o 332.2231 3.513440 1104.476       23.40725      1119.354       38.92942      1089.599       25.98601      334.4214 5.820415 330.0247 3.936979 4.396606       7.026880 
1 1 1 10 10 16 o 312.6888 3.177669 978.3719       19.87916      993.9578       28.71355      962.7860       27.49501      315.1772 4.555144 310.2005 4.431813 4.976654       6.355337 
1 1 1 10 10 17 f 117.8885 3.749972 139.2108       8.806056      131.9846       13.12053      146.4370       11.75322      114.8171 5.713663 120.9598 4.858315 -6.142677      7.499945 
1 1 1 10 10 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 10 19 o 368.0614 3.677988 1356.685       27.21163      1394.942       45.22048      1318.429       30.27923      373.1688 6.058984 362.9540 4.171221 10.21478       7.355976 
1 1 1 10 10 20 o 196.6949 2.663756 387.4523       10.51342      366.4113       13.53851      408.4933       16.09602      191.3584 3.537477 202.0314 3.983546 -10.67300      5.327512 
1 1 1 10 10 21 o 176.7202 2.612960 313.4899       9.188620      347.5664       12.90799      279.4842       13.07802      186.3527 3.463324 167.0878 3.913519 19.26492       5.225920 
1 1 1 10 10 22 o 338.2528 3.041783 1146.275       20.60886      1166.112       31.68196      1126.438       26.36149      341.1301 4.643677 335.3755 3.930146 5.754669       6.083567 
1 1 1 10 10 23 o 150.3610 2.341473 226.3504       7.046261      227.5547       11.31397      225.1460       8.402238      150.7360 3.752910 149.9859 2.801009 0.7501221      4.682946 
1 1 1 10 10 24 o 252.3115 2.533582 638.0317       12.74505      605.3012       18.82356      670.7621       17.17996      245.8073 3.828927 258.8156 3.318956 -13.00829      5.067164 
1 1 1 10 10 25 o 79.02501 2.444569 62.57755       3.878774      64.97211       6.101187      60.18298       4.791968      80.52426 3.788415 77.52576 3.090565 2.998497       4.889139 
1 1 1 10 10 26 o 300.5561 2.680166 906.1099       16.06769      887.6901       25.41216      923.8211       19.66662      297.4539 4.271614 303.6582 3.238282 -6.204315      5.360332 
1 1 1 10 10 27 o 162.9814 2.090088 266.1653       6.792635      261.8438       10.98100      270.4869       8.005506      161.6071 3.397439 164.3557 2.435421 -2.748611      4.180175 
1 1 1 10 10 28 o 275.7899 2.545623 763.0026       14.00609      750.2504       22.23830      775.7547       17.03827      273.3675 4.067474 278.2124 3.062097 -4.844940      5.091246 
1 1 1 10 10 29 o 60.45986 2.713943 36.84658       3.329723      41.18230       5.428866      32.50377       3.856103      64.00389 4.241044 56.91584 3.387548 7.088055       5.427885 
1 1 1 10 10 30 o 176.0458 2.804367 311.4354       9.783719      302.7214       17.42083      320.1494       8.905238      173.3312 5.025301 178.7603 2.490832 -5.429077      5.608733 
1 1 1 10 10 31 o 127.7547 3.018263 164.2191       7.757547      167.7614       14.53035      160.7477       5.454370      128.8235 5.639633 126.6859 2.152714 2.137604       6.036525 
1 1 1 10 10 32 o 78.51804 4.071291 62.48544       6.464623      64.88001       12.29164      60.09797       4.011962      79.61588 7.719339 77.42021 2.591030 2.195663       8.142582 
1 1 1 10 10 33 o 258.8585 3.220151 676.5006       16.58486      669.4869       29.96751      683.5143       14.21154      256.7241 5.836520 260.9928 2.722593 -4.268646      6.440301 
1 1 1 10 10 34 o 65.62077 6.644845 46.28316       7.374983      34.29615       14.06985      58.27016       4.405153      55.08185 12.97119 76.15968 2.892051 -21.07782      13.28969 
1 1 1 10 10 35 o 129.2018 3.311828 169.1074       8.451830      165.4943       15.86224      172.7914       5.849687      127.1512 6.237547 131.2524 2.228412 -4.101158      6.623656 
1 1 1 10 10 36 o 45.95410 6.543561 22.91133       6.220915      25.30589       11.95867      20.52385       3.433866      46.84222 12.52030 45.06598 3.809821 1.776245       13.08712 
1 1 1 10 10 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 10 38 o 113.8211 3.742909 133.7557       8.125941      119.0907       14.74997      148.4207       6.837267      106.3444 6.934998 121.2978 2.818381 -14.95337      7.485817 
1 1 1 10 10 39 o 57.24500 6.875340 37.98010       6.797595      24.95167       12.66003      51.00853       4.951370      43.69432 13.29859 70.79567 3.496944 -27.10135      13.75068 
1 1 1 10 10 40 o 73.13315 6.364369 61.55738       7.644195      46.28316       14.11944      76.79617       5.866689      59.57064 12.27081 86.69566 3.383496 -27.12503      12.72874 
1 1 1 10 10 41 o 26.00402 6.941897 7.778800       5.406904      9.727042       9.960832      5.822765       4.209620      29.08210 11.52947 22.92595 7.735056 6.156153       13.88379 
1 1 1 10 10 42 o 78.37044 3.717166 65.94269       5.789468      67.86968       10.62678      64.01571       4.590059      77.62387 6.845044 79.11700 2.900805 -1.493134      7.434332 
1 1 1 10 10 43 o 69.13592 3.614147 53.32516       5.303470      65.48220       9.996255      41.16813       3.546510      75.01870 6.662509 63.25314 2.803426 11.76556       7.228293 
1 1 1 10 10 44 o 20.86600 6.363999 4.310929       5.036384      0.9790803      7.396237      7.644195       6.837267      18.68413 8.588621 23.04787 9.393484 -4.363741      12.72800 
1 1 1 10 11 0  o 350.4967 5.678075 1229.872       39.77956      1229.872       39.77956      1229.872       39.77956      350.4967 5.678075 350.4967 5.678075 -0.000000      0.000000 
1 1 1 10 11 1  o 516.4845 5.547830 2670.863       57.30666      2633.315       79.91336      2709.120       82.18040      512.8248 7.791487 520.1442 7.899772 -7.319397      11.09566 
1 1 1 10 11 2  o 226.1454 2.807341 511.8564       12.76630      536.7939       20.19088      486.9897       15.62136      231.6416 4.358213 220.6492 3.539863 10.99242       5.614682 
1 1 1 10 11 3  o 650.5234 6.257310 4238.667       81.40111      4239.375       126.0336      4237.959       103.0797      650.4733 9.687836 650.5735 7.922220 -0.1002808     12.51462 
1 1 1 10 11 4  o 443.3059 3.721952 1966.662       32.99968      1965.245       43.19431      1967.371       49.90334      443.2039 4.872961 443.4078 5.627251 -0.2038879     7.443903 
1 1 1 10 11 5  o 519.4333 3.951639 2699.910       41.05478      2668.738       57.39167      2731.082       58.72357      516.4365 5.556509 522.4301 5.620232 -5.993591      7.903277 
1 1 1 10 11 6  o 262.5839 2.352152 689.7487       12.35540      704.9804       17.81048      674.5170       17.13037      265.4830 3.354353 259.6847 3.298300 5.798309       4.704303 
1 1 1 10 11 7  o 530.4441 4.026487 2816.096       42.72673      2872.063       61.53612      2760.128       59.29033      535.7123 5.743393 525.1760 5.644806 10.53632       8.052975 
1 1 1 10 11 8  o 362.6837 2.929943 1315.595       21.25355      1314.886       30.03127      1317.012       30.08086      362.5373 4.141819 362.8300 4.145310 -0.2927551     5.859885 
1 1 1 10 11 9  o 366.4896 2.962102 1343.933       21.73530      1401.318       31.86616      1287.257       29.55661      374.2647 4.257168 358.7145 4.119796 15.55026       5.924205 
1 1 1 10 11 10 o 618.9484 4.633510 3834.849       57.34917      3875.940       81.96787      3793.051       80.26759      622.2905 6.585981 615.6062 6.519394 6.684326       9.267019 
1 1 1 10 11 11 o 309.6500 2.832492 959.2438       17.56252      944.3662       22.77672      974.1212       26.73697      307.2568 3.706463 312.0432 4.284177 -4.786407      5.664984 
1 1 1 10 11 12 o 259.3739 2.376262 673.1708       12.33415      697.0457       17.92383      649.2961       16.94617      263.9740 3.394999 254.7738 3.325728 9.200226       4.752524 
1 1 1 10 11 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 14 o 331.4592 3.404398 1099.517       22.34457      1049.926       37.43459      1149.817       24.41325      323.8857 5.778983 339.0327 3.600427 -15.14706      6.808797 
1 1 1 10 11 15 o 414.8120 4.007626 1722.246       33.19096      1709.494       56.37860      1734.998       35.04002      413.1931 6.822305 416.4307 4.207186 -3.237579      8.015252 
1 1 1 10 11 16 o 370.8974 4.035750 1377.230       29.90375      1365.187       46.51694      1389.274       37.60462      369.2299 6.299183 372.5649 5.046721 -3.334930      8.071500 
1 1 1 10 11 17 o 119.8646 2.994891 143.7449       7.190785      144.6659       12.78047      142.8947       6.597811      120.2089 5.315940 119.5203 2.760122 0.6886444      5.989782 
1 1 1 10 11 18 o 545.7293 4.972909 2984.708       54.38784      3011.629       92.73634      2958.495       56.79658      547.8798 8.463202 543.5788 5.224319 4.301025       9.945818 
1 1 1 10 11 19 o 361.1843 3.210226 1305.677       23.23722      1337.557       35.89725      1274.505       29.52119      365.5137 4.910521 356.8548 4.136302 8.658875       6.420452 
1 1 1 10 11 20 o 254.6291 3.038663 649.1544       15.44425      639.3777       24.03777      658.8602       19.41158      252.6864 4.756443 256.5717 3.782876 -3.885300      6.077327 
1 1 1 10 11 21 o 69.97585 2.899461 49.07445       4.038175      46.60196       6.135192      51.53987       5.252461      68.20364 4.497702 71.74807 3.660350 -3.544434      5.798921 
1 1 1 10 11 22 f 330.6489 3.204947 1095.975       21.18979      1081.097       29.98168      1110.144       29.96043      328.4524 4.564083 332.8453 4.500654 -4.392853      6.409894 
1 1 1 10 11 23 o 234.8745 2.722259 552.6632       12.74505      541.0447       20.39633      564.2819       15.29548      232.3452 4.389229 237.4039 3.221403 -5.058685      5.444518 
1 1 1 10 11 24 o 220.3342 2.613486 486.3522       11.49817      482.0305       18.43391      490.6737       13.75813      219.2973 4.202950 221.3710 3.107483 -2.073700      5.226973 
1 1 1 10 11 25 o 135.7380 2.200352 184.6225       5.952412      177.8922       9.068183      191.2820       7.715039      133.2555 3.402555 138.2205 2.790846 -4.964951      4.400704 
1 1 1 10 11 26 o 136.3983 2.194940 186.3937       5.977208      182.7097       9.181536      190.1485       7.651280      135.0107 3.400298 137.7858 2.776512 -2.775085      4.389880 
1 1 1 10 11 27 o 61.62156 2.752675 38.10762       3.395609      38.41934       5.445160      37.79590       4.059429      61.84322 4.402390 61.39990 3.305729 0.4433212      5.505351 
1 1 1 10 11 28 o 129.7146 2.061798 168.6824       5.333225      165.7069       8.551013      171.5870       6.380316      128.5403 3.326200 130.8890 2.437300 -2.348740      4.123595 
1 1 1 10 11 29 o 119.0477 2.085315 142.1863       5.012296      150.7585       8.260548      133.6848       5.678241      122.5770 3.369535 115.5184 2.457721 7.058525       4.170630 
1 1 1 10 11 30 o 154.1443 2.093380 238.3232       6.431325      232.7973       10.27963      243.9199       7.729208      152.2756 3.375339 156.0130 2.477104 -3.737411      4.186760 
1 1 1 10 11 31 o 235.9821 3.033793 560.5270       14.36032      568.3201       25.49718      552.7341       13.21971      237.1892 5.374861 234.7750 2.815400 2.414200       6.067587 
1 1 1 10 11 32 o 108.2437 3.428059 118.4531       7.608772      127.6630       14.16195      109.2433       5.568431      112.1135 6.315899 104.3738 2.667542 7.739700       6.856119 
1 1 1 10 11 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 34 o 185.6161 3.132435 348.2041       11.48400      338.4983       21.15437      357.9807       8.933578      182.3164 5.801556 188.9158 2.364434 -6.599426      6.264870 
1 1 1 10 11 35 o 67.57660 4.755298 47.60087       6.891819      57.24290       13.21263      37.96593       3.921280      73.74177 8.958713 61.41143 3.192631 12.33034       9.510595 
1 1 1 10 11 36 o 29.60895 7.301858 9.727042       6.191161      13.91399       11.94450      5.544343       3.270214      36.30611 12.97079 22.91179 6.710237 13.39432       14.60372 
1 1 1 10 11 37 o 44.57730 6.493330 22.92550       6.414322      31.43401       12.36957      14.42408       3.395609      51.55235 12.17648 37.60225 4.515168 13.95010       12.98666 
1 1 1 10 11 38 o 63.77956 5.251707 43.38559       6.816014      47.32458       12.73088      39.45368       4.868481      65.29530 9.748695 62.26382 3.909559 3.031475       10.50341 
1 1 1 10 11 39 o 131.4165 3.562896 179.4508       9.238212      177.1838       16.87532      181.7179       7.530843      128.8560 6.548131 133.9770 2.810498 -5.120956      7.125793 
1 1 1 10 11 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 11 42 o 16.61053 5.426707 -2.162195      4.726081      -4.641068      8.841478      0.3165362      3.350268      18.75686 8.859495 14.46420 6.269444 4.292656       10.85341 
1 1 1 10 11 43 o 48.48994 7.362520 35.84766       7.970083      52.94260       9.804973      18.75980       12.56085      65.91293 7.437822 31.06696 12.70848 34.84596       14.72504 
1 1 1 10 12 0  o 521.4158 6.468323 2721.163       67.43044      2721.163       67.43044      2721.163       67.43044      521.4158 6.468323 521.4158 6.468323 0.000000       0.000000 
1 1 1 10 12 1  o 304.7025 2.999275 928.7803       18.27806      927.3634       26.00727      930.1973       25.68846      304.4694 4.270917 304.9357 4.212111 -0.4663696     5.998551 
1 1 1 10 12 2  o 432.6600 3.907741 1873.146       33.81440      1864.645       47.82050      1881.648       47.82050      431.6775 5.538915 433.6425 5.513816 -1.964966      7.815481 
1 1 1 10 12 3  o 550.4081 4.814648 3032.882       52.99928      3051.302       75.52096      3013.754       74.38744      552.1094 6.839311 548.7068 6.778432 3.402649       9.629295 
1 1 1 10 12 4  o 293.4413 2.945819 861.4774       17.28622      846.5999       24.32824      876.3549       24.56911      290.9068 4.181448 295.9757 4.150528 -5.068848      5.891637 
1 1 1 10 12 5  o 567.8345 4.959759 3229.123       56.35026      3319.097       81.89703      3138.441       77.43378      575.7695 7.111962 559.8994 6.914972 15.87012       9.919518 
1 1 1 10 12 6  o 581.0869 4.734772 3380.732       54.99711      3356.645       82.74717      3404.111       72.47462      579.0027 7.145663 583.1712 6.213837 -4.168518      9.469544 
1 1 1 10 12 7  o 231.6891 2.442143 537.0065       11.30689      529.7803       17.08077      544.1618       14.81373      230.1328 3.711069 233.2455 3.175566 -3.112701      4.884286 
1 1 1 10 12 8  o 222.1222 2.215704 493.5075       9.847479      504.2052       14.25405      482.8807       13.58811      224.5212 3.174322 219.7233 3.092095 4.797928       4.431407 
1 1 1 10 12 9  o 58.35265 3.122996 34.33157       3.618063      40.41009       5.245378      28.26014       4.983958      63.55745 4.126485 53.14787 4.688766 10.40958       6.245991 
1 1 1 10 12 10 o 347.5809 2.873133 1208.619       19.97126      1208.619       28.22472      1208.619       28.26723      347.5810 4.060164 347.5808 4.066282 0.2136230E-03  5.746267 
1 1 1 10 12 11 o 405.1158 3.232653 1642.191       26.19146      1657.069       37.33541      1627.314       36.74739      406.9501 4.587222 403.2816 4.556047 3.668579       6.465305 
1 1 1 10 12 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 12 13 o 250.2158 2.677870 626.3422       13.41808      635.1270       20.59469      617.5574       17.20121      251.9630 4.086850 248.4686 3.461445 3.494339       5.355739 
1 1 1 10 12 14 o 529.5875 4.089476 2807.594       43.31474      2799.093       61.01895      2815.387       61.49361      528.8203 5.769347 530.3549 5.797403 -1.534607      8.178951 
1 1 1 10 12 15 o 196.7308 2.916056 387.3106       11.51234      392.6240       20.14837      381.9264       11.15103      198.0596 5.086442 195.4021 2.853355 2.657486       5.832112 
1 1 1 10 12 16 o 268.6725 3.176351 722.6208       16.99576      706.1139       27.93425      738.9152       19.36907      265.5832 5.259040 271.7619 3.563611 -6.178650      6.352702 
1 1 1 10 12 17 o 374.8857 3.718067 1407.694       28.01927      1438.866       48.39434      1375.813       28.26723      378.9738 6.384920 370.7975 3.811680 8.176270       7.436135 
1 1 1 10 12 18 o 289.0614 3.205737 0.000000       0.000000      ?              ?             835.9731       18.53310      ?        ?        289.0614 3.205737 ?              ?        
1 1 1 10 12 19 o 243.6281 2.909544 594.7453       14.41699      632.3640       25.46176      557.0556       13.51017      251.2896 5.066219 235.9666 2.862731 15.32295       5.819089 
1 1 1 10 12 20 o 115.4283 2.951184 133.4015       6.774924      130.9927       12.05077      135.8811       6.192576      114.3222 5.270525 116.5344 2.656974 -2.212151      5.902369 
1 1 1 10 12 21 o 278.0139 2.609041 773.6293       14.53035      782.8392       23.40725      765.1279       17.22246      279.5508 4.186583 276.4770 3.114628 3.073761       5.218082 
1 1 1 10 12 22 o 243.5401 2.527810 594.0368       12.34123      608.2059       19.31948      579.8678       15.36632      246.4105 3.920182 240.6698 3.192407 5.740677       5.055620 
1 1 1 10 12 23 o 118.7461 2.448121 141.4070       5.754045      130.1426       8.891070      152.7422       7.311223      113.9712 3.900578 123.5210 2.959506 -9.549782      4.896242 
1 1 1 10 12 24 o 311.1035 2.922962 970.5789       18.18596      967.7452       27.68630      972.7043       23.57727      310.6443 4.456269 311.5627 3.783713 -0.9183044     5.845923 
1 1 1 10 12 25 o 185.6788 2.337242 345.5119       8.699788      353.9425       13.60227      337.0814       10.85348      187.9074 3.619409 183.4502 2.958154 4.457184       4.674484 
1 1 1 10 12 26 o 186.6143 2.509092 349.3376       9.365732      339.7735       12.97884      358.8308       13.51017      184.0719 3.525480 189.1568 3.571158 -5.084839      5.018185 
1 1 1 10 12 27 o 76.72453 2.625838 59.11322       4.013380      55.67014       5.936118      62.54921       5.401945      74.47126 3.985509 78.97780 3.419914 -4.506538      5.251675 
1 1 1 10 12 28 o 33.61861 4.848795 11.84531       3.187325      8.317224       4.692785      15.38049       4.315179      28.19407 7.968987 39.04316 5.526166 -10.84910      9.697591 
1 1 1 10 12 29 o 112.8128 2.161364 127.6630       4.900361      132.1971       7.941744      123.1289       5.745543      114.7728 3.459768 110.8528 2.591520 3.920036       4.322727 
1 1 1 10 12 30 o 42.18375 4.121197 18.62520       3.175989      13.35432       4.892568      23.89608       4.051636      35.63013 7.117565 48.73736 4.156601 -13.10723      8.242394 
1 1 1 10 12 31 o 80.82265 2.445990 65.64514       3.938992      63.66148       6.130233      67.62881       4.949244      79.55557 3.852799 82.08974 3.014533 -2.534164      4.891981 
1 1 1 10 12 32 o 126.0285 3.583853 160.6060       8.933578      156.6387       16.42900      164.5733       7.003754      123.9787 6.625733 128.0783 2.734168 -4.099617      7.167706 
1 1 1 10 12 33 o 99.55463 4.624560 101.5211       8.883986      94.86169       16.88949      108.1806       5.506087      95.30547 8.860714 103.8038 2.652162 -8.498299      9.249120 
1 1 1 10 12 34 o 134.6998 3.372101 183.8432       9.139028      188.6607       17.17287      179.0966       6.265547      135.7858 6.323518 133.6138 2.344648 2.171951       6.744202 
1 1 1 10 12 35 o 46.36603 6.589293 22.40125       6.457538      7.679617       12.30581      37.12288       3.917738      32.02504 12.77745 60.70701 3.226760 -28.68196      13.17859 
1 1 1 10 12 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 12 37 o 57.68102 6.303415 36.22314       6.738085      34.82040       13.02134      37.62588       3.472122      54.26527 12.28243 61.09678 2.841494 -6.831509      12.60683 
1 1 1 10 12 38 f 116.3390 3.672206 140.5568       8.813140      157.5597       16.08894      123.5540       7.204955      122.2559 6.580028 110.4222 3.262457 11.83366       7.344412 
1 1 1 10 12 39 o 75.08963 5.478353 61.10397       7.644195      53.02761       13.94233      69.18032       6.271924      67.85809 10.27315 82.32117 3.809424 -14.46308      10.95671 
1 1 1 10 12 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 12 41 o 43.70985 6.227285 23.14512       5.390610      23.66937       9.833311      22.61378       4.420031      41.20355 11.49999 46.21615 4.781911 -5.012604      12.45457 
1 1 1 10 12 42 o 37.42847 5.952045 17.30748       4.844393      13.29056       8.940661      21.32440       3.734958      29.93582 11.15458 44.92112 4.157241 -14.98529      11.90409 
1 1 1 10 12 43 o 78.87703 4.586551 73.53729       7.183701      65.46803       10.19462      81.61364       10.13086      73.71571 6.914823 84.03835 6.027522 -10.32264      9.173101 
1 1 1 10 13 0  o 317.5247 3.814304 1008.835       24.21488      1008.835       24.21488      1008.835       24.21488      317.5247 3.814304 317.5247 3.814304 -0.000000      0.000000 
1 1 1 10 13 1  o 245.9310 2.318883 605.0886       11.41316      588.8651       15.75597      621.3122       16.50693      242.6341 3.246858 249.2279 3.311613 -6.593781      4.637765 
1 1 1 10 13 2  o 444.4476 3.479398 1976.581       30.93100      1953.202       43.27224      1999.959       44.20739      441.8203 4.897040 447.0749 4.944070 -5.254547      6.958795 
1 1 1 10 13 3  o 156.4543 2.269325 244.8410       7.098687      244.5576       10.79680      245.1243       9.224042      156.3607 3.452532 156.5479 2.946076 -0.1872253     4.538650 
1 1 1 10 13 4  o 300.8734 2.803864 906.1099       16.84698      930.9057       22.73422      880.6056       24.86666      305.0578 3.726215 296.6889 4.190696 8.368927       5.607728 
1 1 1 10 13 5  o 365.2435 3.216118 1335.432       23.44975      1383.606       31.92284      1286.548       34.35991      371.8929 4.291939 358.5940 4.790921 13.29895       6.432237 
1 1 1 10 13 6  o 585.7581 5.111766 3435.283       59.91377      3510.379       86.64365      3360.187       82.74717      592.1536 7.315979 579.3627 7.141223 12.79089       10.22353 
1 1 1 10 13 7  o 54.40099 4.003335 29.70539       4.319431      26.42525       6.313014      32.98552       5.897153      51.38498 6.142859 57.41700 5.135373 -6.032013      8.006670 
1 1 1 10 13 8  o 197.3805 2.520415 389.7902       9.946663      378.4550       14.06985      401.1254       14.06277      194.5090 3.616761 200.2519 3.511270 -5.742844      5.040831 
1 1 1 10 13 9  o 170.7433 2.343934 291.5987       8.012589      295.6369       12.27747      287.6314       10.30089      171.9110 3.570880 169.5756 3.037256 2.335373       4.687868 
1 1 1 10 13 10 o 63.78524 3.633162 40.83516       4.575181      36.42150       6.968331      45.24882       5.929741      60.32174 5.775970 67.24873 4.408813 -6.926994      7.266324 
1 1 1 10 13 11 o 314.8020 2.989279 991.1240       18.81648      989.7072       28.56478      993.2495       24.50535      314.5092 4.541166 315.0948 3.888568 -0.5855408     5.978558 
1 1 1 10 13 12 o 301.8752 3.166956 911.7775       19.12111      903.2760       27.16913      920.2789       26.90700      300.4664 4.521159 303.2841 4.435940 -2.817688      6.333912 
1 1 1 10 13 13 o 397.2106 3.278679 1579.139       26.04977      1596.850       37.27165      1560.719       36.40025      399.4818 4.664999 394.9395 4.608333 4.542328       6.557359 
1 1 1 10 13 14 o 217.5174 2.396347 473.3875       10.42133      462.6898       14.59411      484.0851       14.89166      215.0592 3.393044 219.9755 3.384844 -4.916306      4.792694 
1 1 1 10 13 15 o 283.2867 2.836414 802.6758       16.06060      807.6351       20.94892      798.4252       24.35657      284.1129 3.686724 282.4605 4.311501 1.652435       5.672827 
1 1 1 10 13 16 o 312.6062 2.764838 977.6635       17.24372      956.4099       26.78656      999.6255       21.72113      309.1280 4.332601 316.0844 3.435970 -6.956421      5.529676 
1 1 1 10 13 17 o 187.1443 2.282534 350.6128       8.487252      333.3974       13.36140      367.8282       10.46383      182.5339 3.659978 191.7547 2.728442 -9.220795      4.565067 
1 1 1 10 13 18 o 338.8258 2.962597 1149.109       20.08461      1152.651       32.10704      1145.567       24.13695      339.3044 4.731302 338.3473 3.566890 0.9571533      5.925194 
1 1 1 10 13 19 o 373.4299 3.696220 1397.067       27.52335      1380.773       46.80741      1414.070       28.97568      371.0297 6.307772 375.8301 3.854891 -4.800415      7.392440 
1 1 1 10 13 20 o 140.1149 3.914112 196.9496       11.01642      199.4292       20.80014      194.3992       7.247461      140.8482 7.383887 139.3815 2.599865 1.466690       7.828224 
1 1 1 10 13 21 o 351.3775 3.579269 1238.374       25.12878      1234.832       43.03136      1241.208       25.97184      350.7014 6.135042 352.0535 3.688622 -1.352051      7.158538 
1 1 1 10 13 22 o 235.8709 2.892426 0.000000       0.000000      ?              ?             556.9139       13.64478      ?        ?        235.8709 2.892426 ?              ?        
1 1 1 10 13 23 o 447.3407 4.154234 2010.586       37.06620      1987.916       62.27291      2033.257       40.21172      444.3763 7.006778 450.3051 4.464942 -5.928864      8.308468 
1 1 1 10 13 24 o 101.3588 2.515086 103.0089       5.124940      105.8427       8.543928      100.1042       5.659822      102.7321 4.158353 99.98546 2.830322 2.746658       5.030172 
1 1 1 10 13 25 o 105.0177 2.288628 110.5893       4.846519      116.9654       7.899237      104.2841       5.617314      107.9976 3.657135 102.0377 2.752568 5.959892       4.577255 
1 1 1 10 13 26 o 228.9001 2.513127 525.5295       11.51234      532.1890       17.70421      518.8701       14.73580      230.2931 3.843843 227.5072 3.238534 2.785828       5.026254 
1 1 1 10 13 27 o 91.41237 2.502674 83.80984       4.577307      84.30576       6.918740      83.38477       5.994210      91.64223 3.774864 91.18251 3.286930 0.4597168      5.005348 
1 1 1 10 13 28 o 250.9624 2.614587 632.5058       13.09219      616.4239       19.79414      648.5167       17.15162      247.6933 3.995696 254.2314 3.373229 -6.538116      5.229174 
1 1 1 10 13 29 o 110.7032 2.352481 123.3415       5.245378      135.7394       8.175533      110.9436       6.574432      116.2562 3.516172 105.1502 3.126210 11.10597       4.704961 
1 1 1 10 13 30 o 129.2207 2.448992 168.3281       6.238626      147.3580       9.401155      189.2983       8.203872      121.0708 3.882503 137.3707 2.986035 -16.29986      4.897983 
1 1 1 10 13 31 o 158.1719 3.201690 252.4922       9.868733      233.5765       17.69713      271.4079       8.728126      151.8257 5.828106 164.5181 2.652634 -12.69241      6.403381 
1 1 1 10 13 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 13 33 o 76.43652 2.792284 58.93610       4.278340      60.54429       6.618357      57.32083       5.423907      77.42690 4.273939 75.44614 3.594556 1.980766       5.584567 
1 1 1 10 13 34 o 58.76431 6.666847 37.39917       6.803971      27.52335       12.86548      47.28207       4.426406      48.99526 12.93671 68.53337 3.229380 -19.53811      13.33369 
1 1 1 10 13 35 o 112.7817 3.606465 129.7175       8.196787      134.1808       15.38757      125.3251       5.644236      113.8844 6.755787 111.6789 2.526993 2.205482       7.212929 
1 1 1 10 13 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 13 37 o 72.79440 4.706234 56.13771       7.183701      64.92252       13.82898      47.35291       3.912071      77.09509 8.968781 68.49372 2.855788 8.601364       9.412469 
1 1 1 10 13 38 o 34.04797 6.808206 11.88074       6.502170      9.932493       12.53251      13.82190       3.461496      31.53612 12.76698 36.55983 4.734015 -5.023708      13.61641 
1 1 1 10 13 39 o 36.83905 8.412973 16.79739       10.51342      10.15211       19.50368      23.44975       7.856731      30.47948 13.98385 43.19861 9.357593 -12.71913      16.82595 
1 1 1 10 13 40 o 33.45025 8.098638 16.54235       7.516674      24.42033       14.36032      8.671450       4.433491      39.66308 14.21693 27.23742 7.760846 12.42566       16.19728 
1 1 1 10 13 41 o 48.45947 7.511348 31.20730       7.750463      31.00185       14.94833      31.41984       4.092017      41.90229 14.55511 55.01665 3.718890 -13.11435      15.02270 
1 1 1 10 13 42 f 41.54388 7.184067 25.12170       7.058305      28.40891       13.66603      21.83448       3.540134      37.61946 13.83069 45.46829 3.892970 -7.848827      14.36813 
1 1 1 10 13 43 o 29.61974 7.542018 14.25405       7.275800      8.324308       12.31998      20.18379       7.757547      23.80910 10.99955 35.43037 10.32173 -11.62127      15.08404 
1 1 1 10 14 0  o 447.2265 4.970702 2001.376       44.44827      2001.376       44.44827      2001.376       44.44827      447.2265 4.970702 447.2265 4.970702 -0.000000      0.000000 
1 1 1 10 14 1  o 156.8321 2.115391 245.9744       6.637485      246.7538       9.472000      245.2660       9.294888      157.0690 3.015235 156.5953 2.967806 0.4737396      4.230783 
1 1 1 10 14 2  f 259.3239 2.423819 672.6750       12.56793      660.2770       17.56252      685.1437       17.99467      256.9274 3.417799 261.7204 3.437768 -4.792999      4.847638 
1 1 1 10 14 3  o 291.9533 2.593070 852.9760       15.13961      860.0605       21.57944      845.1830       21.24647      293.2267 3.679652 290.6800 3.654615 2.546661       5.186141 
1 1 1 10 14 4  o 219.8061 2.266999 483.3058       9.967916      493.4366       14.31781      473.1749       13.87149      222.1098 3.223137 217.5023 3.188813 4.607498       4.533998 
1 1 1 10 14 5  o 270.5507 2.486231 732.5391       13.45350      735.3730       19.14237      728.9969       18.90858      271.1394 3.529987 269.9619 3.502082 1.177429       4.972463 
1 1 1 10 14 6  o 73.13405 2.890702 53.55895       4.223790      50.26465       5.940369      56.85326       6.005546      70.88197 4.190324 75.38612 3.983191 -4.504143      5.781404 
1 1 1 10 14 7  o 227.1411 2.488388 516.2488       11.32814      501.4422       14.51618      530.9846       17.39958      223.8965 3.241715 230.3857 3.776185 -6.489105      4.976775 
1 1 1 10 14 8  o 261.8006 2.980146 685.7814       15.61428      682.2391       18.28514      689.2527       25.32006      261.1517 3.500866 262.4496 4.823796 -1.297913      5.960292 
1 1 1 10 14 9  o 224.8899 3.788204 508.1725       16.47859      572.3582       17.34290      443.9868       28.01927      239.1972 3.625231 210.5827 6.652794 28.61444       7.576409 
1 1 1 10 14 10 o 779.3098 6.696518 6087.726       104.3549      6091.977       147.9247      6082.767       147.2871      779.6014 9.487204 779.0183 9.453380 0.5830688      13.39304 
1 1 1 10 14 11 o 445.9232 4.143030 1990.749       36.95993      2021.213       53.31100      1959.578       51.19981      449.3705 5.931742 442.4759 5.785604 6.894623       8.286059 
1 1 1 10 14 12 o 71.41998 4.974723 51.44777       6.946370      42.81882       10.50634      60.07671       9.089437      65.37156 8.035866 77.46840 5.866545 -12.09684      9.949447 
1 1 1 10 14 13 o 396.8913 3.545266 1576.305       28.13262      1570.638       42.67005      1582.681       36.67655      396.1057 5.386196 397.6769 4.611350 -1.571228      7.090533 
1 1 1 10 14 14 o 351.1525 3.727797 1234.832       26.14187      1225.622       42.97469      1243.333       29.79040      349.8227 6.142353 352.4823 4.225800 -2.659637      7.455594 
1 1 1 10 14 15 o 434.5513 4.031855 1891.566       35.04002      1914.237       50.05920      1868.187       49.05320      437.1940 5.725056 431.9086 5.678656 5.285461       8.063709 
1 1 1 10 14 16 o 298.5855 2.894270 891.9408       17.30748      906.1099       26.63070      878.4802       22.11078      300.8770 4.425513 296.2940 3.731223 4.583069       5.788539 
1 1 1 10 14 17 o 302.1683 2.902229 913.9028       17.52710      903.2760       26.46067      924.5295       22.98217      300.3911 4.404371 303.9456 3.780639 -3.554535      5.804457 
1 1 1 10 14 18 o 167.5287 2.428930 280.9012       8.140111      281.4679       12.51834      280.3344       10.40716      167.6847 3.732703 167.3728 3.108975 0.3119202      4.857860 
1 1 1 10 14 19 o 90.14362 2.620806 81.40111       4.728916      81.68449       7.693786      81.04688       5.496169      90.30125 4.260067 89.98598 3.053903 0.3152695      5.241611 
1 1 1 10 14 20 o 330.5602 3.348082 1095.266       22.16037      1101.642       37.69672      1088.890       23.30098      331.3516 5.688326 329.7689 3.532925 1.582642       6.696164 
1 1 1 10 14 21 o 114.7998 2.479913 131.9846       5.701620      133.3306       9.096521      130.6385       6.875525      115.3633 3.942553 114.2363 3.009343 1.127029       4.959826 
1 1 1 10 14 22 o 106.3347 3.202022 113.3523       6.842936      115.4068       12.31289      111.3686       5.976499      107.1940 5.743273 105.4754 2.833126 1.718666       6.404045 
1 1 1 10 14 23 o 162.4053 2.846238 264.4650       9.273635      267.7239       16.42900      261.1353       8.607689      163.3027 5.030228 161.5079 2.664788 1.794769       5.692477 
1 1 1 10 14 24 o 329.1167 3.481459 1088.182       22.77672      1061.969       38.80899      1115.103       23.83940      324.7258 5.975656 333.5075 3.574042 -8.781738      6.962919 
1 1 1 10 14 25 o 155.7500 2.274464 243.1406       7.098687      246.6829       11.63278      239.6692       8.147196      156.8117 3.709156 154.6883 2.633423 2.123352       4.548929 
1 1 1 10 14 26 o 85.42412 2.554977 73.32476       4.305970      66.92036       6.792635      79.77167       5.293552      81.63030 4.160609 89.21794 2.966641 -7.587639      5.109953 
1 1 1 10 14 27 o 119.1089 2.258116 142.3280       5.410447      148.2081       8.770633      136.5187       6.337101      121.5049 3.609168 116.7130 2.714823 4.791954       4.516233 
1 1 1 10 14 28 o 71.67088 2.965668 51.93660       4.276924      59.69414       6.604896      44.17905       5.435950      77.04515 4.286380 66.29662 4.099720 10.74854       5.931337 
1 1 1 10 14 29 o 108.2887 2.421538 117.7447       5.250336      119.8700       7.962997      115.6193       6.846478      109.2374 3.644814 107.3400 3.189156 1.897415       4.843076 
1 1 1 10 14 30 o 142.6267 2.364955 204.3884       6.762880      211.5437       10.35756      197.2330       8.699788      145.0804 3.569595 140.1730 3.103232 4.907349       4.729911 
1 1 1 10 14 31 o 73.18420 3.347065 54.17531       4.906737      49.91751       6.585768      58.42602       7.275800      70.31364 4.683137 76.05477 4.783263 -5.741135      6.694130 
1 1 1 10 14 32 o 88.20933 2.937696 78.99238       5.213497      90.82352       8.040927      67.20374       6.637485      94.82112 4.240051 81.59753 4.067209 13.22359       5.875391 
1 1 1 10 14 33 o 20.37463 5.614573 1.878106       3.542259      -1.574180      5.093060      5.331100       4.924448      16.92861 7.512081 23.82065 8.346396 -6.892033      11.22915 
1 1 1 10 14 34 o 126.0110 2.450742 160.1101       6.191161      164.2191       9.790804      156.0719       7.587519      127.4951 3.839679 124.5269 3.046538 2.968178       4.901483 
1 1 1 10 14 35 o 104.2096 5.512025 115.1943       11.96575      131.4178       23.13095      98.97072       6.164948      109.3582 10.57578 99.06093 3.111695 10.29726       11.02405 
1 1 1 10 14 36 o 143.6836 4.747023 215.2276       12.96467      197.7997       24.76748      232.6556       7.672533      135.3009 9.152736 152.0662 2.522760 -16.76530      9.494045 
1 1 1 10 14 37 o 113.9586 5.056437 138.3606       11.86657      154.6550       23.20180      122.1371       5.020798      117.7417 9.852841 110.1757 2.278543 7.566002       10.11287 
1 1 1 10 14 38 o 48.86030 7.903290 28.21763       8.721042      25.73805       17.10911      30.69721       3.423239      42.71127 15.49731 55.00933 3.111507 -12.29807      15.80658 
1 1 1 10 14 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 14 40 o 33.59054 6.161597 12.77339       5.371481      7.821308       9.826226      17.71838       4.336433      26.63056 11.10276 40.55052 5.346952 -13.91996      12.32319 
1 1 1 10 14 41 o 40.78725 6.142205 20.85682       5.088809      21.93367       9.358648      19.78706       3.997085      38.52764 11.37330 43.04686 4.642715 -4.519215      12.28441 
1 1 1 10 14 42 o 16.82326 5.258829 -1.206493      4.388151      -4.794094      8.218040      2.380398       3.081765      17.39332 8.328933 16.25319 6.422618 1.140135       10.51766 
1 1 1 10 15 0  o 251.9282 3.439251 635.1270       17.32165      635.1270       17.32165      635.1270       17.32165      251.9282 3.439251 251.9282 3.439251 -0.000000      0.000000 
1 1 1 10 15 1  o 483.1906 3.766234 2336.474       36.40025      2312.386       51.03687      2360.561       51.90826      480.7010 5.308588 485.6801 5.343873 -4.979187      7.532469 
1 1 1 10 15 2  f 239.6769 2.379581 574.6252       11.40607      578.1675       16.20938      571.0830       16.05352      240.4155 3.371117 238.9383 3.359344 1.477249       4.759161 
1 1 1 10 15 3  o 379.6413 3.116068 1441.699       23.66229      1431.073       33.24764      1453.035       33.67271      378.1964 4.395553 381.0863 4.417991 -2.889954      6.232137 
1 1 1 10 15 4  o 714.8133 5.338387 5117.855       76.30025      5068.264       106.9054      5167.447       108.9599      711.3553 7.514204 718.2713 7.584870 -6.916016      10.67677 
1 1 1 10 15 5  o 230.6381 2.612530 532.4015       12.01534      509.0226       17.89549      555.7805       16.03226      225.5649 3.966817 235.7112 3.400827 -10.14632      5.225061 
1 1 1 10 15 6  o 434.7686 3.784436 1891.566       32.87216      1856.144       48.94693      1927.697       43.88150      430.6353 5.683108 438.9020 4.999009 -8.266754      7.568871 
1 1 1 10 15 7  o 489.1843 3.837890 2395.275       37.54795      2404.485       53.33225      2385.357       52.87175      490.1602 5.440288 488.2085 5.414875 1.951721       7.675780 
1 1 1 10 15 8  o 188.4692 2.456600 355.3594       9.259464      363.0815       13.26930      347.6373       12.92216      190.5170 3.482445 186.4213 3.465849 4.095734       4.913200 
1 1 1 10 15 9  o 618.4739 4.707995 3829.890       58.24182      3845.476       82.74717      3813.596       81.96787      619.7592 6.675752 617.1887 6.640423 2.570557       9.415990 
1 1 1 10 15 10 o 353.8620 3.089312 1253.251       21.86282      1263.878       31.18605      1241.916       30.65471      355.4120 4.387310 352.3121 4.350505 3.099884       6.178623 
1 1 1 10 15 11 f 352.5781 3.270921 1244.041       23.08136      1231.998       30.05252      1256.085       35.04002      350.8896 4.282334 354.2666 4.945432 -3.377014      6.541841 
1 1 1 10 15 12 o 338.9402 3.412488 1149.817       23.13095      1149.109       33.02094      1150.526       32.40458      338.8329 4.872747 339.0475 4.778768 -0.2146301     6.824975 
1 1 1 10 15 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 14 o 262.2635 2.723180 688.3318       14.28239      691.1655       18.89441      685.4271       21.41650      262.8217 3.594530 261.7052 4.091721 1.116455       5.446359 
1 1 1 10 15 15 o 93.66061 3.753542 88.20225       7.176617      98.82903       12.10036      77.50462       7.722124      99.32492 6.091300 87.99631 4.387755 11.32861       7.507085 
1 1 1 10 15 16 o 206.0301 2.534883 424.9294       10.42133      410.9020       15.68512      438.8859       13.71563      202.6250 3.870481 209.4352 3.274432 -6.810226      5.069766 
1 1 1 10 15 17 o 148.1784 2.489021 219.8326       7.396237      227.2005       11.49109      212.4647       9.323226      150.6505 3.813825 145.7064 3.199320 4.944077       4.978043 
1 1 1 10 15 18 o 108.6688 3.250226 118.7365       7.233293      131.9137       12.52543      105.4885       7.240376      114.6908 5.460519 102.6467 3.526842 12.04408       6.500453 
1 1 1 10 15 19 o 180.6498 2.614297 327.1630       9.457831      347.6373       13.91399      306.6179       12.80881      186.3159 3.733980 174.9837 3.660000 11.33212       5.228595 
1 1 1 10 15 20 o 274.1771 2.777144 753.0842       15.21754      748.1251       23.06011      758.0435       19.87207      273.2365 4.219806 275.1177 3.611558 -1.881165      5.554288 
1 1 1 10 15 21 o 151.2246 2.557218 229.0425       7.736294      229.6092       11.21479      228.5466       10.65512      151.3937 3.703851 151.0555 3.526888 0.3382263      5.114436 
1 1 1 10 15 22 o 79.15213 2.836944 62.86092       4.531257      66.82825       7.353730      58.90068       5.290718      81.62537 4.504561 76.67889 3.449918 4.946480       5.673888 
1 1 1 10 15 23 o 38.35908 5.073650 15.38049       3.777465      17.13745       5.907779      13.62353       4.709787      40.53886 7.567824 36.17930 6.759863 4.359554       10.14730 
1 1 1 10 15 24 o 158.9900 3.141446 0.000000       0.000000      ?              ?             253.3424       9.989170      ?        ?        158.9900 3.141446 ?              ?        
1 1 1 10 15 25 o 230.2837 3.072147 532.6849       14.12653      530.5595       24.77456      534.8102       13.57394      229.5448 5.396454 231.0226 2.937795 -1.477737      6.144294 
1 1 1 10 15 26 f 148.8419 3.050845 222.8789       8.912323      209.3475       15.75597      236.4812       8.317224      144.0670 5.468276 153.6168 2.707134 -9.549744      6.101689 
1 1 1 10 15 27 o 123.6438 2.448976 153.4507       6.088435      159.8976       9.734127      147.0746       7.311223      126.1752 3.857385 121.1124 3.018363 5.062836       4.897952 
1 1 1 10 15 28 o 39.21261 4.759317 16.03226       3.666238      19.29823       5.625107      12.75922       4.703412      43.60492 6.450084 34.82030 7.000058 8.784615       9.518635 
1 1 1 10 15 29 o 117.7327 2.408731 139.2816       5.684617      143.8157       8.777717      134.6767       7.233293      119.6245 3.668861 115.8408 3.122084 3.783752       4.817463 
1 1 1 10 15 30 o 45.07708 5.191113 21.72113       4.427115      29.25906       6.457538      14.18321       6.057263      53.70779 6.011734 36.44637 8.464614 17.26141       10.38223 
1 1 1 10 15 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 32 o 78.08307 3.119257 61.62113       4.876274      63.00262       7.325392      60.24674       6.440535      78.91228 4.641477 77.25385 4.168423 1.658432       6.238514 
1 1 1 10 15 33 o 42.84323 5.107970 19.85082       4.067222      12.80172       5.965164      26.89991       5.531591      34.30035 8.683054 51.38612 5.382379 -17.08577      10.21594 
1 1 1 10 15 34 o 137.9110 2.402839 191.9904       6.570182      181.5762       10.44258      202.4047       7.977167      133.9788 3.897100 141.8432 2.811966 -7.864395      4.805678 
1 1 1 10 15 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 15 36 o 46.72426 7.171031 24.43450       6.930784      20.30423       12.97175      28.55769       4.876983      40.64765 13.57815 52.80088 4.618278 -12.15323      14.34206 
1 1 1 10 15 37 o 45.69437 5.966942 21.80614       6.442660      -0.3575556E-01 12.23496      43.64771       4.033216      25.78215 11.53124 65.60660 3.073788 -39.82445      11.93388 
1 1 1 10 15 38 o 57.38220 7.137530 39.31907       7.452912      34.87708       14.32489      43.76107       4.118939      49.24039 13.92474 65.52401 3.143076 -16.28362      14.27506 
1 1 1 10 15 39 o 35.75502 7.049868 12.68837       7.934660      5.899278       15.08294      19.47534       4.923031      28.88089 12.86315 42.62915 5.774256 -13.74826      14.09974 
1 1 1 10 15 40 o 99.98378 5.113826 112.5730       9.429493      100.3876       17.38541      124.7584       7.297054      89.83547 9.676249 110.1321 3.312865 -20.29662      10.22765 
1 1 1 10 15 41 o 30.95707 6.133024 9.620775       6.643860      3.921280       12.75922      15.32381       3.710162      24.34925 11.22803 37.56489 4.938338 -13.21564      12.26605 
1 1 1 10 15 42 o 29.67977 5.387730 8.657280       5.557096      1.188074       10.57718      16.12436       3.412612      20.90495 9.819460 38.45458 4.437199 -17.54963      10.77546 
1 1 1 10 16 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 16 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 16 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 16 3  o 188.9501 2.450894 357.2014       9.266549      366.7655       13.36848      347.6373       12.83006      191.4797 3.490836 186.4205 3.441162 5.059189       4.901789 
1 1 1 10 16 4  o 483.6097 3.825320 2340.725       37.00244      2375.439       53.06304      2306.010       51.58946      487.1935 5.445786 480.0260 5.373611 7.167572       7.650640 
1 1 1 10 16 5  o 422.3954 3.454144 1785.299       29.18113      1795.925       41.55778      1774.672       40.97685      423.6515 4.904714 421.1393 4.865000 2.512177       6.908288 
1 1 1 10 16 6  o 171.9472 2.794731 295.7786       9.613690      296.8413       14.71454      294.7159       12.37665      172.2503 4.271267 171.6442 3.605323 0.6061554      5.589462 
1 1 1 10 16 7  o 400.9463 3.366051 1608.894       26.99910      1562.136       37.42751      1655.652       38.92234      395.1201 4.736219 406.7725 4.784289 -11.65237      6.732102 
1 1 1 10 16 8  o 415.9166 3.452840 1731.456       28.72064      1742.791       40.89892      1719.412       40.33924      417.3199 4.900189 414.5133 4.865856 2.806519       6.905679 
1 1 1 10 16 9  o 184.3239 2.557276 340.0569       9.422408      325.5336       13.25513      354.5801       13.39682      180.3847 3.674129 188.2630 3.558007 -7.878342      5.114552 
1 1 1 10 16 10 o 173.6799 2.438740 301.8713       8.473083      291.3862       11.78155      312.3564       12.17829      170.6627 3.451707 176.6972 3.446090 -6.034470      4.877481 
1 1 1 10 16 11 o 198.9162 2.587184 395.9537       10.30797      385.9645       13.48892      405.9429       15.59302      196.4130 3.433815 201.4193 3.870787 -5.006287      5.174367 
1 1 1 10 16 12 o 268.2127 2.596385 719.7870       13.93525      694.7786       19.22738      745.2913       20.16962      263.5083 3.648345 272.9171 3.695193 -9.408783      5.192770 
1 1 1 10 16 13 o 215.9437 2.590273 466.7989       11.22188      448.0957       14.26822      485.5020       17.32873      211.6263 3.371089 220.2611 3.933679 -8.634842      5.180547 
1 1 1 10 16 14 o 248.5197 2.721453 618.1242       13.55268      606.3639       17.11619      629.8845       21.01268      246.1719 3.476472 250.8676 4.188003 -4.695648      5.442905 
1 1 1 10 16 15 o 378.0856 3.385929 1431.781       25.58219      1449.492       33.99152      1413.361       38.24223      380.5038 4.466646 375.6673 5.089906 4.836487       6.771859 
1 1 1 10 16 16 o 39.02576 5.681483 15.94017       4.400194      10.78264       5.819932      21.09061       6.600646      32.22077 8.789824 45.83075 7.201110 -13.60998      11.36297 
1 1 1 10 16 17 o 241.3790 2.613583 583.4100       12.62461      580.2220       16.45733      586.5981       19.14237      240.7425 3.418036 242.0156 3.954780 -1.273056      5.227166 
1 1 1 10 16 18 o 96.04103 2.787211 92.38211       5.362980      89.12323       7.098687      95.71184       8.040927      94.33565 3.762463 97.74642 4.113157 -3.410774      5.574423 
1 1 1 10 16 19 o 273.1366 2.819261 747.4167       15.40883      750.9589       23.50643      743.8744       19.92166      273.7437 4.293511 272.5295 3.654956 1.214203       5.638523 
1 1 1 10 16 20 o 275.5522 2.823794 760.8772       15.57177      768.6702       23.83940      753.0842       20.04918      276.9175 4.304424 274.1869 3.656116 2.730560       5.647588 
1 1 1 10 16 21 o 144.4762 2.538997 209.1350       7.325392      206.5845       11.17937      211.6854       9.479085      143.5714 3.893314 145.3811 3.260081 -1.809753      5.077994 
1 1 1 10 16 22 o 69.37819 3.389434 48.40851       4.671531      44.71748       6.977541      52.09246       6.214540      66.70403 5.230225 72.05235 4.312517 -5.348320      6.778868 
1 1 1 10 16 23 o 73.51809 3.429622 54.52245       5.027883      61.00478       7.240376      48.04012       6.975416      77.91967 4.646052 69.11651 5.046129 8.803162       6.859243 
1 1 1 10 16 24 o 72.57291 3.593397 53.36768       5.217747      62.29416       7.856731      44.43409       6.871274      78.69591 4.991829 66.44991 5.170266 12.24599       7.186793 
1 1 1 10 16 25 o 155.2383 2.640334 242.2197       8.196787      224.1541       11.29981      260.3560       11.87365      149.4230 3.781146 161.0535 3.686244 -11.63051      5.280668 
1 1 1 10 16 26 o 135.6040 4.891884 188.2356       12.13578      149.8376       22.47918      226.6337       9.146112      120.8703 9.298884 150.3378 3.041855 -29.46747      9.783769 
1 1 1 10 16 27 o 22.71793 7.317855 -5.030007      8.267632      -11.03059      15.89766      0.9712875      4.553220      27.09997 12.51040 18.33590 7.595656 8.764072       14.63571 
1 1 1 10 16 28 o 80.87163 6.438053 67.28167       9.967916      62.13122       19.07861      72.40377       5.784509      76.82133 12.41752 84.92192 3.405781 -8.100586      12.87611 
1 1 1 10 16 29 o 117.7474 2.637064 139.4233       6.164948      133.4723       9.946663      145.4451       7.282885      115.1098 4.320510 120.3849 3.024832 -5.275124      5.274127 
1 1 1 10 16 30 o 99.05450 3.079889 99.04156       6.121023      101.3086       9.861650      96.77451       7.247461      100.0611 4.927811 98.04785 3.695880 2.013298       6.159777 
1 1 1 10 16 31 o 69.61557 3.432636 49.11697       4.800469      51.22815       7.615856      47.00578       5.848978      71.01437 5.362194 68.21676 4.287054 2.797615       6.865271 
1 1 1 10 16 32 o 36.99234 5.455515 14.76414       4.011254      19.93583       5.899987      9.585353       5.435950      44.06413 6.694773 29.92055 8.615719 14.14358       10.91103 
1 1 1 10 16 33 o 89.62585 2.827183 81.25941       5.072515      83.80984       7.509589      78.70899       6.823808      91.00007 4.126145 88.25164 3.866108 2.748428       5.654367 
1 1 1 10 16 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 16 35 o 47.52096 4.078561 23.59144       3.877357      28.75606       5.927616      18.43391       4.999545      52.82144 5.610994 42.22047 5.920759 10.60097       8.157123 
1 1 1 10 16 36 o 177.0013 2.534920 318.3074       9.025676      330.2094       15.11128      306.3346       9.882903      179.8188 4.201806 174.1838 2.836918 5.635086       5.069840 
1 1 1 10 16 37 o 27.90201 7.886023 4.563138       9.004422      1.859686       17.43500      7.268716       4.490167      30.19589 13.62442 25.60813 7.945598 4.587765       15.77205 
1 1 1 10 16 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 16 39 o 27.20086 9.320766 0.000000       0.000000      ?              ?             9.273635       6.112522      ?        ?        27.20086 9.320766 ?              ?        
1 1 1 10 16 40 o 72.97685 4.590870 59.93502       6.404404      54.96877       11.08727      64.90127       6.410780      67.39775 8.225252 78.55595 4.080391 -11.15820      9.181741 
1 1 1 10 16 41 o 15.30967 5.236371 -3.129940      4.688534      -2.760128      8.579351      -3.499752      3.781715      18.58204 8.761769 12.03730 5.736698 6.544730       10.47274 
1 1 1 10 17 0  o 653.8744 7.038953 4279.757       92.02789      4279.757       92.02789      4279.757       92.02789      653.8744 7.038953 653.8744 7.038953 -0.000000      0.000000 
1 1 1 10 17 1  o 402.3548 3.382782 1620.229       27.23289      1571.346       37.56920      1669.112       39.43243      396.2860 4.740162 408.4236 4.827393 -12.13766      6.765564 
1 1 1 10 17 2  o 76.46448 4.114015 58.61730       6.285384      63.29308       9.046929      53.93444       8.728126      79.52306 5.688242 73.40590 5.945112 6.117165       8.228029 
1 1 1 10 17 3  o 411.3503 3.453723 1693.200       28.41600      1681.156       39.96377      1705.244       40.40301      409.8878 4.874964 412.8128 4.893623 -2.924957      6.907447 
1 1 1 10 17 4  o 431.4143 3.568903 1862.520       30.79640      1856.852       43.52020      1868.187       43.57687      430.7576 5.051587 432.0710 5.042790 -1.313385      7.137805 
1 1 1 10 17 5  o 286.1678 2.860934 819.6788       16.37232      816.8449       23.27973      821.8041       23.03177      285.7338 4.073674 286.6018 4.018078 -0.8679810     5.721869 
1 1 1 10 17 6  o 364.0988 3.168592 1326.930       23.07428      1338.266       32.97134      1314.886       32.29123      365.7016 4.507957 362.4961 4.454011 3.205536       6.337183 
1 1 1 10 17 7  o 297.2032 2.809819 884.1478       16.69821      881.3140       23.61270      886.2732       23.62687      296.7861 3.978067 297.6203 3.969297 -0.8342285     5.619638 
1 1 1 10 17 8  o 26.67772 6.791876 5.545760       4.800469      9.174451       7.057597      1.919196       6.509964      30.78774 10.01544 22.56771 9.176564 8.220032       13.58375 
1 1 1 10 17 9  o 420.4709 3.439234 1769.713       28.91900      1789.549       41.35233      1749.876       40.45260      422.8253 4.890002 418.1165 4.837480 4.708801       6.878469 
1 1 1 10 17 10 o 116.0479 2.713589 134.8184       6.298136      140.4860       9.025676      129.1508       8.784801      118.4888 3.808661 113.6070 3.866312 4.881828       5.427179 
1 1 1 10 17 11 o 320.9780 2.868053 1030.797       18.41975      1050.634       26.53860      1011.669       25.53969      324.0081 4.095361 317.9479 4.016332 6.060242       5.736105 
1 1 1 10 17 12 o 189.9713 2.598325 361.3104       9.911241      376.0462       15.45133      346.5038       12.41208      193.8457 3.985471 186.0968 3.334844 7.748932       5.196650 
1 1 1 10 17 13 o 155.4198 2.571315 241.7946       8.005506      247.9581       12.27747      235.5602       10.28672      157.4046 3.899970 153.4349 3.352145 3.969742       5.142630 
1 1 1 10 17 14 o 158.1743 2.576273 250.5794       8.182618      238.8191       10.23004      262.2688       12.78047      154.4830 3.311058 161.8656 3.947864 -7.382645      5.152546 
1 1 1 10 17 15 o 375.8088 3.144835 1414.778       23.63395      1428.239       33.69397      1401.318       33.16262      377.5946 4.461659 374.0231 4.433233 3.571503       6.289671 
1 1 1 10 17 16 o 130.0042 2.393801 169.1783       6.224457      166.2736       8.650196      172.1538       8.954830      128.8759 3.356017 131.1324 3.414424 -2.256470      4.787603 
1 1 1 10 17 17 f 257.6034 2.528063 664.4569       13.02134      664.2444       18.37724      664.7403       18.46225      257.5561 3.567619 257.6507 3.582807 -0.9463501E-01 5.056126 
1 1 1 10 17 18 o 50.43865 4.421046 25.59636       4.432783      27.60837       5.970831      23.58436       6.553887      52.44380 5.692600 48.43350 6.765862 4.010300       8.842092 
1 1 1 10 17 19 o 44.60114 4.758276 20.00668       4.241501      20.21213       5.594644      19.80831       6.376066      44.84454 6.237821 44.35773 7.187097 0.4868088      9.516553 
1 1 1 10 17 20 o 100.3172 2.738232 101.0252       5.456496      109.3141       7.289969      92.73634       8.118857      104.4602 3.489351 96.17424 4.220911 8.285995       5.476464 
1 1 1 10 17 21 o 19.78175 6.066994 -1.110852      4.523465      -4.028965      5.591810      1.807261       7.112856      16.36635 7.499935 23.19715 9.538586 -6.830803      12.13399 
1 1 1 10 17 22 o 132.5592 2.407282 176.4753       6.416448      191.2111       9.904156      161.7395       8.161365      138.0849 3.586256 127.0335 3.212289 11.05141       4.814564 
1 1 1 10 17 23 o 193.6285 2.802888 376.3296       10.81806      369.6701       17.68296      382.9890       12.46875      191.7895 4.609990 195.4675 3.189470 -3.677917      5.605776 
1 1 1 10 17 24 o 64.71127 4.464943 42.41501       5.827016      46.34692       9.209873      38.48310       7.141194      67.66224 6.805770 61.76029 5.781380 5.901951       8.929887 
1 1 1 10 17 25 o 121.4801 2.911467 148.4915       7.003754      138.2189       10.95975      158.7640       8.728126      117.1845 4.676280 125.7757 3.469720 -8.591187      5.822934 
1 1 1 10 17 26 o 69.42873 3.708780 48.98236       5.209954      57.17206       8.267632      40.78557       6.340643      75.24765 5.493615 63.60981 4.984014 11.63784       7.417560 
1 1 1 10 17 27 o 60.57563 3.906657 37.10162       4.718289      35.01168       6.879775      39.19156       6.459663      58.83099 5.847067 62.32028 5.182633 -3.489296      7.813315 
1 1 1 10 17 28 o 158.6792 3.398121 254.4050       10.58427      235.2768       17.83882      273.5333       11.39190      152.3584 5.854228 165.0001 3.452091 -12.64168      6.796243 
1 1 1 10 17 29 o 73.97257 6.846286 59.38951       8.210957      37.49835       14.91999      81.25941       6.871982      58.08419 13.14785 89.86095 3.823676 -31.77676      13.69257 
1 1 1 10 17 30 f 26.69479 8.231373 2.897568       8.501422      6.536885       15.93308      -0.7424575     5.929033      34.36859 14.22123 19.02100 8.293279 15.34760       16.46275 
1 1 1 10 17 31 o 46.23484 4.580948 22.19580       4.246460      27.44542       6.577975      16.93908       5.372190      51.80666 6.348580 40.66301 6.605744 11.14365       9.161896 
1 1 1 10 17 32 o 24.88074 6.267863 5.695244       4.076432      9.160281       6.425658      2.232332       5.017255      29.56781 9.552110 20.19368 8.117981 9.374132       12.53573 
1 1 1 10 17 33 o 27.28096 6.264537 7.736294       4.098393      11.76738       6.400154      3.707328       5.122107      32.70235 9.326742 21.85957 8.365976 10.84278       12.52907 
1 1 1 10 17 34 o 83.87430 3.207801 71.97870       5.379983      79.20491       7.906322      64.73833       7.304138      88.11830 4.486197 79.63029 4.586281 8.488007       6.415601 
1 1 1 10 17 35 o 52.22385 3.995598 28.28139       4.175615      27.87049       5.637151      28.69230       6.160697      51.91586 5.429122 52.53185 5.863773 -0.6159859     7.991195 
1 1 1 10 17 36 o 65.14645 3.499357 44.72456       4.455453      56.13063       6.393069      33.31849       6.207455      73.86618 4.327467 56.42671 5.500458 17.43947       6.998715 
1 1 1 10 17 37 o 26.67495 7.942039 5.455787       8.019674      2.136691       13.80064      8.777717       8.182618      26.06130 11.88192 27.28859 10.54153 -1.227283      15.88408 
1 1 1 10 17 38 o 51.38734 6.367655 31.46235       6.481626      36.07436       11.93741      26.85032       5.061180      52.29717 11.70705 50.47750 5.013303 1.819668       12.73531 
1 1 1 10 17 39 o 58.12156 6.066906 39.88583       5.931867      32.24873       11.29981      47.53003       3.610979      47.92308 11.84253 68.32004 2.642694 -20.39696      12.13381 
1 1 1 10 17 40 o 39.11278 6.344221 19.97126       5.280799      20.07752       9.741212      19.86499       4.074306      35.32209 11.76652 42.90347 4.748225 -7.581371      12.68844 
1 1 1 10 17 41 o 17.85653 5.705426 1.334015       4.723957      1.208619       8.685618      1.460119       3.721497      19.96999 9.229652 15.74308 6.709774 4.226912       11.41085 
1 1 1 10 18 0  o 83.97917 5.342263 71.41194       8.898154      71.41194       8.898154      71.41194       8.898154      83.97917 5.342263 83.97917 5.342263 -0.000000      0.000000 
1 1 1 10 18 1  o 287.6400 2.820521 828.1802       16.23063      830.3055       22.93258      825.3463       22.96092      288.0712 3.980368 287.2089 3.997251 0.8622437      5.641041 
1 1 1 10 18 2  o 244.3495 2.668777 597.3665       13.04260      596.5872       18.38432      598.1458       18.50476      244.1904 3.764342 244.5085 3.784073 -0.3181305     5.337554 
1 1 1 10 18 3  o 354.9365 3.122689 1261.044       22.16746      1264.586       31.37024      1256.793       31.32774      355.4852 4.412313 354.3878 4.419980 1.097443       6.245377 
1 1 1 10 18 4  o 129.4878 2.808154 167.8322       7.268716      163.5107       10.24421      172.0829       10.32214      127.8331 4.006872 131.1425 3.935467 -3.309486      5.616308 
1 1 1 10 18 5  o 126.0412 2.939501 159.1891       7.431659      148.3498       9.705790      169.9576       11.26438      121.7616 3.985571 130.3208 4.321791 -8.559181      5.879001 
1 1 1 10 18 6  o 450.5941 3.645437 2032.548       32.85091      2021.213       46.22648      2043.883       46.69405      449.3387 5.143835 451.8495 5.166993 -2.510742      7.290874 
1 1 1 10 18 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 18 8  o 108.9092 2.767387 118.8074       6.026091      124.8292       8.671450      112.7147       8.373900      111.6888 3.881971 106.1296 3.945128 5.559120       5.534775 
1 1 1 10 18 9  o 329.5276 2.918792 1086.765       19.23446      1078.972       27.07702      1094.558       27.33207      328.3464 4.123240 330.7089 4.132346 -2.362427      5.837585 
1 1 1 10 18 10 o 199.7108 2.573515 399.1417       10.27255      403.2508       13.75813      394.9619       15.26005      200.7549 3.426600 198.6667 3.840617 2.088226       5.147030 
1 1 1 10 18 11 o 30.40969 6.280813 7.573349       4.879108      -0.8742295     7.367898      16.01810       6.399445      21.62481 9.334200 39.19458 8.406377 -17.56977      12.56163 
1 1 1 10 18 12 o 303.0517 2.766349 919.5704       16.77614      884.8563       23.01760      954.2846       24.41325      297.3324 3.870685 308.7710 3.953294 -11.43857      5.532697 
1 1 1 10 18 13 o 204.4492 2.400634 418.4116       9.819141      414.7986       13.82898      421.9539       13.93525      203.5750 3.396533 205.3235 3.393486 -1.748505      4.801269 
1 1 1 10 18 14 o 148.3222 2.398052 220.2577       7.112856      224.9334       10.14503      215.5819       9.975000      149.8971 3.383999 146.7473 3.398700 3.149750       4.796103 
1 1 1 10 18 15 f 228.8799 2.450239 524.4669       11.21479      520.4286       15.74180      528.5759       15.98267      227.9921 3.452268 229.7677 3.478007 -1.775574      4.900478 
1 1 1 10 18 16 o 199.4033 2.366586 398.1499       9.436578      402.4714       13.38265      393.7575       13.31181      200.4952 3.337401 198.3114 3.356289 2.183731       4.733172 
1 1 1 10 18 17 f 321.2828 3.084080 1035.048       19.84373      1015.211       25.60345      1054.176       30.32882      318.3129 4.021742 324.2526 4.676727 -5.939697      6.168159 
1 1 1 10 18 18 f 115.8719 2.837640 134.6767       6.571599      142.9656       9.372816      126.3878       9.209873      119.4465 3.923436 112.2974 4.100663 7.149155       5.675279 
1 1 1 10 18 19 o 223.0259 2.756078 498.5375       12.29164      500.2378       17.34290      496.8372       17.42792      223.4083 3.881436 222.6435 3.913862 0.7648315      5.512156 
1 1 1 10 18 20 o 78.60150 3.403051 62.04621       5.350228      61.96828       7.240376      62.12413       7.877984      78.56608 4.607827 78.63692 5.009087 -0.7084656E-01 6.806102 
1 1 1 10 18 21 o 148.9106 2.631034 222.3830       7.835476      221.5329       10.86765      223.3040       11.29272      148.6219 3.656140 149.1993 3.784443 -0.5773468     5.262069 
1 1 1 10 18 22 o 134.4916 2.938742 181.9304       7.977167      167.7614       9.549930      196.0286       12.77339      129.3157 3.692487 139.6674 4.572785 -10.35173      5.877484 
1 1 1 10 18 23 o 113.0753 2.656995 128.3715       6.026799      122.3496       7.785885      134.4642       9.202788      110.4318 3.525202 115.7188 3.976360 -5.286980      5.313990 
1 1 1 10 18 24 f 76.12630 3.276817 58.34809       5.006629      60.43802       7.877984      56.25108       6.183367      77.44276 5.086327 74.80982 4.132724 2.632942       6.553635 
1 1 1 10 18 25 o 30.16281 5.886181 9.677451       4.125315      16.98159       6.681408      2.370480       4.839434      40.00801 8.597206 20.31761 8.042175 19.69041       11.77236 
1 1 1 10 18 26 o 128.2793 2.560187 165.2818       6.550345      161.9521       10.31506      168.6824       8.076350      126.8982 4.064305 129.6603 3.114426 -2.762154      5.120373 
1 1 1 10 18 27 o 69.42343 3.812445 48.96819       5.278674      55.69139       7.722124      42.25206       7.204955      74.23594 5.201068 64.61092 5.575647 9.625015       7.624890 
1 1 1 10 18 28 o 83.65695 3.813007 71.19940       6.394486      81.25941       9.663282      61.08272       8.380984      89.61631 5.391476 77.69759 5.393336 11.91872       7.626013 
1 1 1 10 18 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 18 30 o 56.34712 9.034528 35.04002       10.57010      35.73431       19.01485      34.33866       9.231127      55.09434 16.19507 57.59990 8.013144 -2.505566      18.06906 
1 1 1 10 18 31 o 79.31555 6.633604 66.33234       10.17337      63.54812       19.08569      69.11655       7.063264      75.97591 12.56036 82.65519 4.272729 -6.679276      13.26721 
1 1 1 10 18 32 o 86.99586 3.099286 76.79617       5.375024      73.46645       8.026759      80.12590       7.148279      85.01092 4.721016 88.98082 4.016753 -3.969902      6.198572 
1 1 1 10 18 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 18 34 o 66.10596 3.357037 44.80249       4.443409      47.91259       6.542552      41.68530       6.014048      68.39448 4.782953 63.81744 4.711915 4.577038       6.714074 
1 1 1 10 18 35 o 23.60010 6.058832 5.292843       3.749127      6.924408       5.273006      3.660570       5.330391      25.54086 8.657079 21.65934 8.478959 3.881512       12.11766 
1 1 1 10 18 36 o 72.55534 3.145625 54.15405       4.565263      55.76933       6.554596      52.53170       6.356230      73.63924 4.450478 71.47144 4.446692 2.167801       6.291250 
1 1 1 10 18 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 18 38 o 24.64509 5.185778 6.679283       3.271630      13.07094       4.944993      0.2872772      4.285425      33.15472 7.613697 16.13547 7.042782 17.01925       10.37156 
1 1 1 10 18 39 o 63.53439 4.616547 45.87934       5.910613      50.72515       10.96683      41.02644       4.419322      64.22899 8.537292 62.83980 3.516340 1.389191       9.233093 
1 1 1 10 18 40 o 18.51855 4.784363 -3.980082      4.497961      -13.71563      8.572267      5.758296       2.722580      14.99068 7.445148 22.04641 6.010849 -7.055723      9.568727 
1 1 1 10 19 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 19 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 19 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 19 3  o 153.6242 2.607359 236.1270       8.012589      232.1597       11.32814      240.1652       11.32814      152.3215 3.718499 154.9270 3.655962 -2.605530      5.214719 
1 1 1 10 19 4  o 161.0808 2.510042 259.7184       8.090520      269.9201       11.83114      249.5167       11.04476      164.2443 3.601691 157.9173 3.497008 6.326981       5.020084 
1 1 1 10 19 5  o 144.3667 2.548642 208.7807       7.360813      222.8789       10.66928      194.6825       10.13795      149.2472 3.574366 139.4861 3.634034 9.761108       5.097283 
1 1 1 10 19 6  o 86.73997 3.198368 76.22942       5.477040      59.75082       7.566265      92.66550       7.920490      77.25524 4.896926 96.22472 4.115622 -18.96947      6.396736 
1 1 1 10 19 7  o 155.7735 2.602919 243.0698       8.076350      260.0727       11.05893      226.1378       11.77447      161.2228 3.429705 150.3242 3.916359 10.89859       5.205838 
1 1 1 10 19 8  o 191.1323 2.425709 365.5611       9.273635      366.4113       13.17720      364.6401       13.04968      191.3634 3.442979 190.9011 3.417917 0.4622650      4.851418 
1 1 1 10 19 9  o 181.4805 2.427010 329.5717       8.806056      325.0377       12.34123      334.1059       12.57502      180.2324 3.423700 182.7287 3.440900 -2.496277      4.854020 
1 1 1 10 19 10 o 164.5602 2.584727 271.1245       8.522675      262.5522       11.08019      279.6259       12.95758      161.9768 3.420300 167.1436 3.876184 -5.166748      5.169454 
1 1 1 10 19 11 o 212.0175 2.446116 449.9377       10.37173      454.8261       14.70746      445.0494       14.62953      213.1698 3.449706 210.8652 3.468930 2.304596       4.892233 
1 1 1 10 19 12 o 143.3158 2.680753 205.8052       7.658363      195.0368       11.31397      216.5737       10.32214      139.5503 4.053728 147.0813 3.508993 -7.530991      5.361506 
1 1 1 10 19 13 o 136.9862 2.735980 187.9523       7.523758      181.4345       9.429493      194.5409       11.71779      134.6161 3.502365 139.3563 4.204257 -4.740189      5.471959 
1 1 1 10 19 14 o 185.1629 2.596282 343.5991       9.585353      362.5856       13.01426      324.6126       14.06985      190.3000 3.419406 180.0258 3.907733 10.27423       5.192563 
1 1 1 10 19 15 o 149.4187 2.769406 224.3667       8.295970      199.0750       10.98809      249.6584       12.42624      140.9715 3.897274 157.8660 3.935694 -16.89452      5.538812 
1 1 1 10 19 16 o 165.1712 2.716106 273.3207       8.976085      272.3289       12.51834      274.3125       12.85840      164.8751 3.796312 165.4674 3.885479 -0.5923004     5.432212 
1 1 1 10 19 17 o 374.1180 3.658756 1404.860       27.38166      1381.481       38.17847      1428.239       39.25531      371.0125 5.145172 377.2235 5.203190 -6.210999      7.317512 
1 1 1 10 19 18 o 44.33474 5.981344 20.92058       5.345977      28.58603       8.784801      13.24805       6.095519      53.18261 8.259092 35.48687 8.654091 17.69574       11.96269 
1 1 1 10 19 19 o 155.3236 2.368350 241.7946       7.353730      246.3287       10.42133      237.2605       10.38590      156.7826 3.323495 153.8647 3.375013 2.917984       4.736700 
1 1 1 10 19 20 o 191.1110 2.397178 366.2696       9.167366      375.9045       13.11344      356.5638       12.80172      193.6352 3.386121 188.5869 3.394118 5.048309       4.794357 
1 1 1 10 19 21 o 131.6673 2.447650 173.8541       6.444786      175.2001       9.039845      172.5080       9.188620      132.1815 3.419483 131.1531 3.503013 1.028397       4.895300 
1 1 1 10 19 22 o 113.6949 2.604415 129.7884       5.914155      135.3851       8.182618      124.1916       8.536844      116.1648 3.521986 111.2250 3.837646 4.939827       5.208830 
1 1 1 10 19 23 o 122.9149 2.556220 151.6795       6.279717      153.9466       8.671450      149.4125       9.089437      123.8484 3.500834 121.9814 3.725748 1.866989       5.112440 
1 1 1 10 19 24 o 180.7154 2.917957 328.5091       10.64095      311.6479       11.75322      345.3702       17.73963      176.2367 3.334497 185.1941 4.789470 -8.957397      5.835914 
1 1 1 10 19 25 o 114.1832 3.185589 131.3470       7.282885      132.8347       11.05893      129.7884       9.472000      114.7876 4.817128 113.5788 4.169793 1.208824       6.371177 
1 1 1 10 19 26 o 197.0660 2.935550 390.9237       11.59027      396.2371       18.75980      385.6103       13.61644      198.2128 4.732239 195.9192 3.475015 2.293594       5.871100 
1 1 1 10 19 27 o 73.12457 4.064830 54.20364       5.970831      56.66906       9.386987      51.73824       7.382068      74.69638 6.283428 71.55276 5.158478 3.143616       8.129660 
1 1 1 10 19 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 19 29 o 46.77109 5.692882 23.06719       5.151861      20.23338       7.481250      25.90100       7.082392      43.32327 8.939334 50.21891 7.051520 -6.895634      11.38576 
1 1 1 10 19 30 f 29.99318 7.344914 8.558097       5.548594      10.38590       6.778466      6.738085       8.784801      31.27167 9.774518 28.71468 10.96585 2.556993       14.68983 
1 1 1 10 19 31 o 50.93703 5.020165 26.90700       5.083141      28.79148       6.796178      25.02252       7.559181      52.88292 6.425683 48.99114 7.714845 3.891781       10.04033 
1 1 1 10 19 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 19 33 o 31.73080 7.145118 7.686701       6.735959      1.190199       12.31289      14.17612       5.462872      27.48133 11.96688 35.98027 7.810551 -8.498943      14.29024 
1 1 1 10 19 34 o 57.04697 3.725534 33.60187       4.242918      32.87925       6.349145      34.32449       5.630066      56.30324 5.638348 57.79071 4.871083 -1.487469      7.451068 
1 1 1 10 19 35 o 65.39670 3.335097 44.24990       4.354853      43.25098       6.465331      45.24882       5.836226      64.51793 5.010492 66.27547 4.403006 -1.757545      6.670194 
1 1 1 10 19 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 19 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 19 38 o 20.15639 5.575078 3.528090       3.375773      1.554343       4.942868      5.501836       4.598560      18.12867 7.729872 22.18412 8.035860 -4.055456      11.15016 
1 1 1 10 19 39 o 95.73948 2.482235 95.92437       4.744502      102.7963       6.728167      89.05238       6.689910      99.31606 3.387250 92.16290 3.629395 7.153152       4.964471 
1 1 1 10 19 40 o 16.69885 5.477559 0.3729998      4.656654      0.3359478      8.706873      0.4100519      3.299968      19.39059 9.068425 14.00711 6.146403 5.383474       10.95512 
1 1 1 10 20 0  o 211.2364 4.105196 446.8914       17.32873      446.8914       17.32873      446.8914       17.32873      211.2364 4.105196 211.2364 4.105196 -0.000000      0.000000 
1 1 1 10 20 1  o 120.7495 2.722733 145.9411       6.576558      141.4778       9.188620      150.4043       9.408240      118.9024 3.863935 122.5966 3.837071 -3.694290      5.445466 
1 1 1 10 20 2  o 163.4675 2.508550 267.4406       8.203872      259.1516       11.47692      275.7294       11.71779      160.9332 3.565740 166.0018 3.529417 -5.068634      5.017099 
1 1 1 10 20 3  o 193.1793 2.641204 373.4958       10.22296      363.7900       13.29764      383.2016       15.52926      190.6771 3.486952 195.6814 3.967997 -5.004242      5.282408 
1 1 1 10 20 4  o 519.7112 4.086108 2705.577       42.47877      2663.070       59.24782      2748.084       60.88435      515.6332 5.745152 523.7891 5.811914 -8.155823      8.172216 
1 1 1 10 20 5  o 274.0600 2.697481 751.6674       14.78539      760.1688       21.06936      743.1660       20.75055      275.6095 3.822321 272.5105 3.807294 3.098938       5.394963 
1 1 1 10 20 6  o 401.0853 3.347891 1610.311       26.85741      1623.063       38.24223      1598.267       37.71797      402.6275 4.749084 399.5431 4.720138 3.084381       6.695782 
1 1 1 10 20 7  o 196.8176 2.446038 387.7357       9.627860      396.5913       13.75105      378.8092       13.48184      199.0749 3.453737 194.5603 3.464694 4.514618       4.892075 
1 1 1 10 20 8  o 123.5433 2.623497 152.7422       6.483042      151.8212       9.139028      153.7340       9.195704      123.1566 3.710330 123.9300 3.710041 -0.7734070     5.246994 
1 1 1 10 20 9  o 174.9635 2.469394 306.4762       8.643111      299.2500       12.02951      313.7025       12.41208      172.9012 3.478724 177.0258 3.505725 -4.124557      4.938788 
1 1 1 10 20 10 o 247.4063 3.011786 613.1650       14.90582      620.7455       21.69279      605.5846       20.45300      248.9259 4.357279 245.8867 4.159029 3.039185       6.023571 
1 1 1 10 20 11 o 116.5958 3.051465 136.2353       7.112856      140.8402       10.09544      131.6304       10.02459      118.5698 4.257171 114.6218 4.372898 3.947968       6.102929 
1 1 1 10 20 12 o 241.6706 3.268218 585.8188       15.72763      553.5842       23.57019      617.9825       20.82140      234.9759 5.015449 248.3652 4.191689 -13.38936      6.536435 
1 1 1 10 20 13 o 302.8294 3.243554 919.5704       19.64537      920.2789       27.73589      918.1536       27.82799      303.0061 4.576787 302.6528 4.597345 0.3532715      6.487108 
1 1 1 10 20 14 o 205.8991 2.669904 424.8586       11.02351      442.2156       16.78322      407.5015       14.29656      210.0855 3.994380 201.7126 3.543793 8.372833       5.339807 
1 1 1 10 20 15 o 256.7761 2.611305 660.5604       13.41099      656.5931       18.82356      664.4569       19.10695      256.0139 3.676278 257.5383 3.709534 -1.524384      5.222611 
1 1 1 10 20 16 o 53.42601 4.278903 28.79856       4.531966      32.35499       6.247128      25.24922       6.565931      56.75793 5.503308 50.09409 6.553599 6.663849       8.557807 
1 1 1 10 20 17 o 214.4487 2.465775 460.8479       10.57718      466.9406       14.96959      454.7552       14.94125      215.8688 3.467288 213.0285 3.506865 2.840240       4.931551 
1 1 1 10 20 18 o 159.9490 2.409947 256.5304       7.707955      266.2362       10.87473      246.8246       10.91724      162.9838 3.336140 156.9143 3.478728 6.069519       4.819894 
1 1 1 10 20 19 o 61.90566 3.859811 38.58937       4.784175      37.43459       6.432034      39.75123       7.083809      60.99043 5.272987 62.82089 5.638100 -1.830467      7.719622 
1 1 1 10 20 20 o 81.68758 3.110415 67.17540       5.063305      73.67899       7.176617      60.70015       7.148279      85.65894 4.189065 77.71622 4.598962 7.942726       6.220829 
1 1 1 10 20 21 o 35.32189 6.254905 13.29056       4.578724      18.58269       6.611272      7.998421       6.334976      42.05014 8.152113 28.59364 9.488857 13.45650       12.50981 
1 1 1 10 20 22 o 88.57431 3.153477 78.99238       5.578349      84.87252       7.955913      73.18307       7.821308      91.86917 4.330023 85.27946 4.585693 6.589714       6.306955 
1 1 1 10 20 23 o 104.8577 3.110903 110.6602       6.542552      104.4966       8.508506      116.8945       9.946663      101.9505 4.172862 107.7648 4.614987 -5.814301      6.221807 
1 1 1 10 20 24 o 185.2123 2.811015 344.9452       10.40716      348.1332       14.19029      341.7571       15.23171      186.1092 3.812355 184.3154 4.131970 1.793854       5.622030 
1 1 1 10 20 25 o 30.27054 6.990575 9.195704       5.165322      3.448035       6.145820      14.94125       8.303054      23.19800 9.099702 37.34308 10.61452 -14.14508      13.98115 
1 1 1 10 20 26 o 35.95609 6.435258 13.87149       4.644610      12.51834       6.432034      15.22463       6.702662      34.22211 9.198143 37.69007 9.002463 -3.467964      12.87052 
1 1 1 10 20 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 20 28 o 64.84178 4.390522 43.28640       5.746961      51.08646       9.018591      35.49343       7.119940      70.69211 6.378782 58.99145 6.034722 11.70066       8.781044 
1 1 1 10 20 29 o 128.6962 3.127885 167.9031       8.062181      152.4588       10.80389      183.3473       11.97283      122.7725 4.399964 134.6199 4.446905 -11.84740      6.255769 
1 1 1 10 20 30 o 87.33353 3.175901 77.36294       5.561347      79.70082       8.614774      75.02505       7.034926      88.54881 4.864421 86.11826 4.084457 2.430557       6.351801 
1 1 1 10 20 31 o 56.11707 4.372355 33.24055       4.908154      43.10221       7.693786      23.37891       6.096227      64.69736 5.945981 47.53677 6.412119 17.16060       8.744710 
1 1 1 10 20 32 o 48.94182 5.572638 26.05686       5.283633      19.87916       7.026425      32.23455       7.892153      42.45710 8.574980 55.42653 7.119472 -12.96943      11.14528 
1 1 1 10 20 33 o 131.8473 3.886263 180.4427       9.889987      156.9221       16.45025      203.9633       10.98100      122.1050 6.736108 141.5896 3.877757 -19.48460      7.772526 
1 1 1 10 20 34 o 155.6565 3.825848 253.6257       12.03660      273.2498       19.90041      234.0016       13.53851      160.6524 6.193623 150.6606 4.493050 9.991821       7.651697 
1 1 1 10 20 35 o 19.63951 5.848117 -0.1675489     4.329349      -5.773174      6.291052      5.438076       5.950287      15.73746 7.452114 23.54157 9.014871 -7.804104      11.69623 
1 1 1 10 20 36 o 18.88072 5.683651 1.399901       3.788800      0.5786635      5.614480      2.220996       5.088809      18.49719 8.067543 19.26425 8.008140 -0.7670536     11.36730 
1 1 1 10 20 37 o 28.13261 5.225356 9.068183       3.457953      2.637566       4.986792      15.49384       4.791968      19.38079 7.980996 36.88444 6.746931 -17.50365      10.45071 
1 1 1 10 20 38 o 45.83407 3.922649 23.14512       3.596810      23.93150       5.195786      22.35874       4.975457      46.59122 5.575928 45.07692 5.518853 1.514301       7.845299 
1 1 1 10 20 39 o 19.42596 5.588827 3.849727       3.416155      3.132774       4.479541      4.566680       5.158946      18.45349 7.575771 20.39842 8.218739 -1.944931      11.17765 
1 1 1 10 21 0  o 341.4107 4.287577 1166.820       29.26614      1166.820       29.26614      1166.820       29.26614      341.4107 4.287577 341.4107 4.287577 -0.000000      0.000000 
1 1 1 10 21 1  o 34.72263 6.452698 12.41208       4.832349      18.68896       6.932909      6.138027       6.734542      42.39698 8.475827 27.04829 9.731886 15.34869       12.90540 
1 1 1 10 21 2  o 216.7996 2.513875 470.4828       10.90307      483.0224       15.69221      457.9432       15.13961      219.6884 3.571469 213.9107 3.538770 5.777710       5.027751 
1 1 1 10 21 3  o 65.75229 3.889198 43.50602       5.080307      49.23031       7.169532      37.78882       7.197870      70.10278 5.113587 61.40180 5.861286 8.700974       7.778396 
1 1 1 10 21 4  o 239.7516 2.579824 575.4754       12.36957      559.3935       17.17287      591.5573       17.81756      236.4020 3.632134 243.1012 3.664639 -6.699173      5.159649 
1 1 1 10 21 5  o 177.1243 2.492400 314.0567       8.827310      318.4491       12.56793      309.6643       12.40499      178.3631 3.523132 175.8855 3.526438 2.477539       4.984800 
1 1 1 10 21 6  o 195.4805 2.695873 382.6348       10.54885      388.2316       15.89766      377.0381       13.87149      196.8951 4.037087 194.0659 3.573911 2.829224       5.391745 
1 1 1 10 21 7  o 190.6631 2.826673 364.2859       10.78264      346.5746       14.76414      381.9972       15.72763      186.0275 3.968267 195.2987 4.026558 -9.271210      5.653346 
1 1 1 10 21 8  o 139.4462 2.912692 194.9659       8.125941      182.7806       11.14395      207.1513       11.83114      135.0839 4.124823 143.8085 4.113507 -8.724564      5.825385 
1 1 1 10 21 9  o 52.09034 5.704232 27.97676       5.832684      22.28081       7.481250      33.67271       8.954830      46.32793 8.381873 57.85275 7.739331 -11.52481      11.40846 
1 1 1 10 21 10 o 186.4258 3.280097 348.4874       12.29872      364.2859       19.72330      332.7598       14.70037      190.5919 5.174223 182.2597 4.032811 8.332230       6.560194 
1 1 1 10 21 11 o 64.63313 3.854384 41.91201       4.981833      42.27332       6.880484      41.55778       7.204955      64.91489 5.299619 64.35136 5.598137 0.5635376      7.708768 
1 1 1 10 21 12 o 255.4577 2.895990 654.1844       14.84915      627.9008       18.58978      680.4680       23.16637      250.3701 3.712460 260.5453 4.445748 -10.17523      5.791980 
1 1 1 10 21 13 o 143.3663 2.531392 206.0178       7.254546      215.1568       10.28672      196.8079       10.23004      146.5653 3.509262 140.1673 3.649226 6.397995       5.062783 
1 1 1 10 21 14 o 255.0157 2.640251 651.7048       13.46767      668.4951       19.23446      634.9144       18.85190      258.3028 3.723241 251.7287 3.744488 6.574051       5.280503 
1 1 1 10 21 15 o 87.60775 3.074849 77.07955       5.371481      83.66816       7.594603      70.56889       7.601687      91.34592 4.157056 83.86958 4.531850 7.476349       6.149698 
1 1 1 10 21 16 o 142.9835 2.491948 204.8842       7.127024      203.9633       9.967916      205.8761       10.18754      142.6527 3.493770 143.3144 3.554262 -0.6616516     4.983895 
1 1 1 10 21 17 o 22.96725 6.322232 2.864270       4.315179      5.353770       5.834808      0.3745584      6.359063      25.07574 9.054897 20.85876 8.825603 4.216982       12.64446 
1 1 1 10 21 18 o 118.4913 2.780328 141.1944       6.573724      127.7339       9.195704      154.7259       9.394071      112.8009 4.076078 124.1817 3.782390 -11.38080      5.560656 
1 1 1 10 21 19 o 36.07397 6.900657 13.74396       5.126357      13.55977       6.585060      13.92816       7.856731      35.78272 9.161830 36.36522 10.32168 -0.5824966     13.80131 
1 1 1 10 21 20 o 59.77744 4.522912 36.16647       5.382108      38.00135       7.022174      34.33866       8.154280      61.36032 5.722081 58.19457 7.006049 3.165749       9.045824 
1 1 1 10 21 21 o 148.3225 2.868512 221.1078       8.522675      215.5110       11.26438      226.7046       12.78755      146.4817 3.844981 150.1633 4.257883 -3.681656      5.737024 
1 1 1 10 21 22 o 96.14447 3.354665 93.16142       6.461080      90.18591       8.508506      96.06606       9.727042      94.66159 4.494170 97.62734 4.981721 -2.965752      6.709330 
1 1 1 10 21 23 o 59.95794 4.517128 36.47110       5.380691      38.05095       6.597811      34.89125       8.501422      61.37917 5.374634 58.53670 7.261617 2.842472       9.034255 
1 1 1 10 21 24 o 41.22634 6.025874 17.82465       4.882650      19.80831       6.418573      15.84098       7.360813      44.06258 7.283474 38.39009 9.601855 5.672485       12.05175 
1 1 1 10 21 25 o 142.5589 2.849027 204.5300       8.118857      204.9551       11.58319      204.1050       11.39190      142.7003 4.058569 142.4174 3.999479 0.2829895      5.698054 
1 1 1 10 21 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 21 27 o 52.12855 4.850478 27.96968       5.061888      31.18605       7.530843      24.75331       6.768548      55.14169 6.828629 49.11541 6.890454 6.026283       9.700955 
1 1 1 10 21 28 o 84.50118 3.512588 72.47462       5.977208      76.65448       9.613690      68.33726       7.105771      86.78143 5.539026 82.22094 4.321145 4.560486       7.025177 
1 1 1 10 21 29 o 109.0960 2.996099 120.5076       6.559555      125.7502       10.09544      115.3360       8.373900      111.3578 4.532884 106.8343 3.919108 4.523514       5.992198 
1 1 1 10 21 30 o 58.13042 4.483057 35.01168       5.132733      30.44217       7.672533      39.58120       6.820973      54.09353 7.091913 62.16732 5.485981 -8.073784      8.966115 
1 1 1 10 21 31 o 45.57458 6.237586 22.97509       5.511046      17.81756       7.984251      28.13970       7.601687      39.49743 10.07377 51.65172 7.358601 -12.15429      12.47517 
1 1 1 10 21 32 o 30.92721 6.680332 10.78264       4.616271      14.21154       7.010839      7.346645       6.006963      35.24596 9.661623 26.60846 9.228237 8.637506       13.36066 
1 1 1 10 21 33 o 18.93935 5.768609 -0.4069347     4.143026      -3.601060      6.105437      2.787049       5.601728      16.88413 7.778553 20.99458 8.520651 -4.110451      11.53722 
1 1 1 10 21 34 f 46.00398 5.746075 23.47101       5.178782      22.67754       6.731709      24.26447       7.870899      45.85844 7.339662 46.14952 8.843011 -0.2910843     11.49215 
1 1 1 10 21 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 21 36 o 74.89389 3.160190 59.09905       4.720414      57.54045       7.119940      60.66473       6.198245      73.57562 4.838519 76.21216 4.066441 -2.636536      6.320380 
1 1 1 10 21 37 f 15.36412 4.878703 -1.947534      3.341767      -5.394860      5.127774      1.499792       4.285425      13.64039 6.543195 17.08784 7.238342 -3.447446      9.757406 
1 1 1 10 21 38 o 24.70880 5.754905 7.998421       3.321222      9.649114       5.063305      6.347728       4.299594      26.88937 8.456474 22.52822 7.807929 4.361145       11.50981 
1 1 1 10 22 0  f 11.52703 8.025944 -5.084558      6.319390      -5.084558      6.319390      -5.084558      6.319390      11.52703 8.025944 11.52703 8.025944 0.000000       0.000000 
1 1 1 10 22 1  o 219.8956 2.566353 484.1559       11.28564      487.2023       15.96142      481.1096       15.96142      220.5883 3.617921 219.2029 3.640786 1.385376       5.132707 
1 1 1 10 22 2  o 86.77232 3.503151 76.44194       6.113939      93.23225       9.514507      59.58788       7.672533      96.44359 4.932680 77.10106 4.975634 19.34253       7.006302 
1 1 1 10 22 3  o 173.3893 2.869112 301.0920       9.946663      298.5416       14.11236      303.7133       14.02734      172.6428 4.087156 174.1358 4.027702 -1.493042      5.738225 
1 1 1 10 22 4  o 92.33317 3.557676 85.51013       6.568765      83.95154       9.181536      86.99788       9.401155      91.51108 5.016625 93.15526 5.045961 -1.644180      7.115353 
1 1 1 10 22 5  o 135.9715 2.997171 185.2601       8.147196      190.8569       11.68946      179.6634       11.36357      138.0261 4.234509 133.9169 4.242767 4.109177       5.994342 
1 1 1 10 22 6  o 181.4543 2.873957 329.7843       10.42841      329.4301       14.77122      330.2094       14.72871      181.3464 4.072652 181.5621 4.056110 -0.2156219     5.747915 
1 1 1 10 22 7  o 112.1689 2.828496 126.1044       6.344894      120.1534       8.806056      132.0554       9.139028      109.5198 4.020304 114.8180 3.979788 -5.298256      5.656992 
1 1 1 10 22 8  o 189.5615 2.513807 359.8935       9.528677      355.4302       13.29764      364.2859       13.65895      188.3972 3.529150 190.7258 3.580782 -2.328629      5.027614 
1 1 1 10 22 9  o 184.7953 2.516344 342.0405       9.301972      340.8362       13.07802      343.1740       13.22680      184.4805 3.544553 185.1100 3.572686 -0.6294250     5.032687 
1 1 1 10 22 10 o 44.23149 5.420349 20.16962       4.650986      23.43558       6.638901      16.90366       6.515631      48.26811 6.877109 40.19487 8.380102 8.073246       10.84070 
1 1 1 10 22 11 o 211.4150 2.738507 447.8832       11.57610      445.6870       17.37832      450.0086       15.29548      210.8775 4.120478 211.9525 3.608231 -1.075027      5.477013 
1 1 1 10 22 12 o 182.9055 2.710651 335.3102       9.932493      328.0840       12.69546      342.4656       15.28131      180.9745 3.507526 184.8364 4.133738 -3.861923      5.421303 
1 1 1 10 22 13 o 115.7779 3.067091 134.6058       7.053346      144.1699       9.224042      125.0417       10.66928      119.9325 3.845514 111.6234 4.779145 8.309151       6.134183 
1 1 1 10 22 14 o 29.25462 6.372170 7.807138       4.552511      13.72271       6.351271      1.892275       6.523424      36.07637 8.856096 22.43287 9.164484 13.64350       12.74434 
1 1 1 10 22 15 o 92.94098 3.397681 86.85619       6.327891      83.88069       8.203872      89.76084       9.642029      91.39518 4.488131 94.48677 5.102317 -3.091591      6.795363 
1 1 1 10 22 16 o 75.29800 3.865869 57.15081       5.792302      61.08272       7.800055      53.21889       8.565183      77.93266 5.004355 72.66335 5.893743 5.269318       7.731738 
1 1 1 10 22 17 o 130.8283 2.964001 171.8704       7.757547      173.0039       10.32214      170.7369       11.56902      131.2922 3.930980 130.3644 4.437185 0.9278564      5.928003 
1 1 1 10 22 18 o 41.30721 6.216924 18.10803       5.018672      16.03935       6.269798      20.17671       7.842561      38.97959 8.290742 43.63483 9.266293 -4.655243      12.43385 
1 1 1 10 22 19 o 79.00627 3.408680 62.99553       5.404778      56.94535       7.078850      69.04571       8.168448      75.21622 4.705667 82.79632 4.932858 -7.580093      6.817359 
1 1 1 10 22 20 o 66.18504 3.934825 44.61829       5.092351      53.29683       6.898903      35.93976       7.488335      72.76484 4.740548 59.60524 6.281609 13.15960       7.869650 
1 1 1 10 22 21 o 69.61855 4.034599 49.40743       5.627941      58.25599       8.551013      40.55178       7.318307      75.91625 5.631873 63.32084 5.778751 12.59541       8.069198 
1 1 1 10 22 22 o 32.59257 6.932384 11.05893       4.913113      12.45458       6.786260      9.656199       7.105771      34.24746 9.551867 30.93769 10.04956 3.309771       13.86477 
1 1 1 10 22 23 o 142.0715 2.940116 203.4673       8.409323      189.1566       10.32214      217.7781       13.28347      137.1552 3.762941 146.9878 4.518562 -9.832550      5.880232 
1 1 1 10 22 24 o 23.23609 6.750815 1.523171       5.178782      4.235125       6.794053      -1.189491      7.814223      24.73477 9.595083 21.73741 9.498863 2.997358       13.50163 
1 1 1 10 22 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 22 26 o 82.66814 3.990561 69.88168       6.492960      80.05505       8.706873      59.71540       9.634944      88.88982 4.897564 76.44645 6.301760 12.44337       7.981122 
1 1 1 10 22 27 o 20.74877 6.283114 -1.028672      4.889734      2.894734       6.417865      -4.952786      7.382068      22.82342 9.178825 18.67412 8.582497 4.149300       12.56623 
1 1 1 10 22 28 o 22.57467 6.310939 3.257461       4.255670      4.993877       6.383859      1.520337       5.630066      24.75877 9.379170 20.39056 8.446479 4.368206       12.62188 
1 1 1 10 22 29 o 41.12149 6.159357 18.32056       4.998127      13.55268       7.913406      23.08844       6.108980      34.96199 10.48882 47.28098 6.460293 -12.31899      12.31871 
1 1 1 10 22 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 22 31 o 69.45879 3.917301 49.88918       5.415406      47.50878       8.203872      52.26249       7.067515      67.57681 6.070035 71.34076 4.953350 -3.763954      7.834602 
1 1 1 10 22 32 o 47.26775 5.359277 24.30698       4.898944      22.37999       7.318307      26.23397       6.516339      44.68625 8.495148 49.84926 6.536044 -5.163013      10.71855 
1 1 1 10 22 33 o 96.12589 3.251480 95.21592       6.254921      96.77451       9.280719      93.72817       8.388069      96.76900 4.795295 95.48277 4.392452 1.286232       6.502960 
1 1 1 10 22 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 22 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 22 36 o 20.34304 6.532230 0.8388069      5.799386      2.906778       9.946663      -1.228455      5.967289      23.39095 10.43112 17.29514 7.865864 6.095808       13.06446 
1 1 1 10 22 37 o 20.37801 6.220946 0.9663283      5.333934      -3.472831      9.110690      5.405487       5.554262      18.95449 8.971917 21.80153 8.620057 -2.847042      12.44189 
1 1 1 10 22 38 o 60.69069 3.540048 41.18230       4.291093      39.46076       6.121732      42.89676       6.015463      59.21296 5.169250 62.16843 4.838038 -2.955471      7.080096 
1 1 1 10 23 0  o 70.69995 7.732254 51.91535       10.70471      51.91535       10.70471      51.91535       10.70471      70.69995 7.732254 70.69995 7.732254 0.000000       0.000000 
1 1 1 10 23 1  o 213.4899 3.622469 457.2347       15.47259      439.2401       21.46609      475.3003       22.28081      209.2786 5.128591 217.7011 5.117293 -8.422501      7.244938 
1 1 1 10 23 2  o 36.88518 7.770043 14.06277       6.235793      10.45675       7.941744      17.66170       9.620775      32.67183 10.62428 41.09854 11.34103 -8.426712      15.54009 
1 1 1 10 23 3  f 234.3976 2.836997 550.5379       13.33306      568.9576       20.46717      532.1890       17.09494      238.2812 4.294753 230.5139 3.708006 7.767227       5.673994 
1 1 1 10 23 4  o 151.8286 2.561124 230.8844       7.778800      226.9171       10.85348      234.8518       11.14395      150.5252 3.605205 153.1321 3.638670 -2.606979      5.122248 
1 1 1 10 23 5  o 29.32095 6.629656 7.934660       4.692785      12.78047       6.693452      3.088141       6.579392      34.96730 9.376331 23.67461 9.375168 11.29269       13.25931 
1 1 1 10 23 6  f 21.35005 6.281006 0.4050219      4.564555      3.300677       6.332142      -2.490208      6.575140      23.54008 9.236055 19.16002 8.514660 4.380064       12.56201 
1 1 1 10 23 7  o 64.04050 4.065612 41.23898       5.201453      38.20681       7.233293      44.27115       7.481250      61.67762 5.863791 66.40339 5.633184 -4.725765      8.131224 
1 1 1 10 23 8  o 184.9086 2.699555 342.7490       9.960832      358.6183       13.55268      326.8796       14.59411      189.2128 3.581334 180.6045 4.040350 8.608292       5.399109 
1 1 1 10 23 9  o 140.8287 2.921913 198.9332       8.189702      188.3065       12.33415      209.5600       10.78264      137.0339 4.500401 144.6236 3.727828 -7.589722      5.843827 
1 1 1 10 23 10 o 82.17410 3.374735 67.74924       5.545760      68.17432       7.757547      67.33126       7.927575      82.43357 4.705333 81.91463 4.838925 0.5189438      6.749471 
1 1 1 10 23 11 o 140.8785 3.288454 199.2166       9.280719      207.3638       13.92108      191.1403       12.28455      143.7265 4.842907 138.0306 4.449939 5.695892       6.576907 
1 1 1 10 23 12 o 69.19952 4.445970 48.24557       6.164948      47.03411       7.934660      49.45702       9.436578      68.36796 5.802908 70.03109 6.737420 -1.663132      8.891939 
1 1 1 10 23 13 o 91.12238 3.669518 83.52647       6.668657      86.64365       8.905238      80.40928       9.932493      92.86047 4.794957 89.38428 5.556063 3.476181       7.339036 
1 1 1 10 23 14 o 24.20871 6.888117 2.662362       5.186575      3.935450       6.600646      1.389982       7.998421      24.39929 9.459056 24.01812 10.01553 0.3811760      13.77623 
1 1 1 10 23 15 o 159.3901 2.766808 254.9718       8.813140      257.6639       11.31397      252.2797       13.51017      160.2848 3.529334 158.4954 4.262008 1.789413       5.533617 
1 1 1 10 23 16 o 53.87128 4.501466 29.35824       4.853603      26.97076       6.563805      31.74572       7.155363      51.67846 6.350620 56.06411 6.381412 -4.385647      9.002933 
1 1 1 10 23 17 o 19.47295 5.983365 -1.037882      4.374690      -2.714079      6.019006      0.6386693      6.351271      17.93627 8.053320 21.00963 8.851366 -3.073355      11.96673 
1 1 1 10 23 18 o 103.5531 2.918869 107.8264       6.053721      103.2923       8.203872      112.3605       8.898154      101.3852 4.045890 105.7210 4.208321 -4.335709      5.837739 
1 1 1 10 23 19 o 25.24397 6.362423 3.440242       4.699870      10.26547       6.333559      -3.382149      6.946370      31.41258 9.375424 19.07535 8.603668 12.33724       12.72485 
1 1 1 10 23 20 o 160.3503 2.613398 258.4432       8.380984      253.6257       11.49109      263.1898       12.21371      158.8832 3.616206 161.8174 3.773917 -2.934235      5.226796 
1 1 1 10 23 21 o 111.2308 2.941676 124.5458       6.555304      119.3033       8.749379      129.7175       9.762465      108.9262 4.016197 113.5355 4.299302 -4.609322      5.883352 
1 1 1 10 23 22 o 64.16760 4.491324 42.47168       5.566306      53.07012       7.566265      31.88033       8.168448      72.45975 5.221013 55.87546 7.309514 16.58429       8.982648 
1 1 1 10 23 23 o 93.11256 3.932320 88.06055       7.417490      78.07139       8.728126      98.12057       11.99409      87.91555 4.963926 98.30957 6.100163 -10.39402      7.864640 
1 1 1 10 23 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 23 25 o 78.93146 4.153667 63.50562       6.573016      60.98354       8.529759      66.02062       10.00334      77.45403 5.506337 80.40889 6.220294 -2.954857      8.307335 
1 1 1 10 23 26 o 58.61795 5.303517 36.83949       5.632192      49.01070       7.467082      24.66829       8.430575      69.42165 5.378064 47.81425 9.142516 21.60740       10.60703 
1 1 1 10 23 27 o 17.39452 5.693141 -6.970457      4.935075      -1.450201      6.553887      -12.49000      7.382068      19.43214 8.585097 15.35691 7.479539 4.075232       11.38628 
1 1 1 10 23 28 o 86.50159 3.445214 76.44194       5.911322      84.09322       8.012589      68.70565       8.692703      91.01318 4.401884 81.99000 5.301076 9.023186       6.890428 
1 1 1 10 23 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 23 30 o 34.28331 6.682498 13.15595       4.838726      11.49109       7.552096      14.82790       6.050178      32.07669 10.35487 36.48992 8.449834 -4.413223      13.36500 
1 1 1 10 23 31 o 47.81900 5.230941 24.66829       5.052678      29.40075       7.970083      19.93583       6.213122      52.36023 7.610817 43.27776 7.178192 9.082466       10.46188 
1 1 1 10 23 32 o 24.60252 6.380537 4.113980       4.731040      -2.002793      7.212039      10.23004       6.122441      19.39201 8.755482 29.81303 9.283670 -10.42102      12.76107 
1 1 1 10 23 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 23 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 23 35 o 39.14438 5.478022 18.27806       4.155778      21.06227       6.286093      15.49384       5.438785      42.23794 7.728947 36.05082 7.765197 6.187122       10.95604 
1 1 1 10 23 36 o 24.77746 5.775274 7.176617       3.703786      3.166071       5.584725      11.18645       4.866355      19.83452 8.325479 29.72040 8.006345 -9.885878      11.55055 
1 1 1 10 23 37 o 29.49983 6.401612 10.65512       5.570556      0.3705203      8.827310      20.94184       6.794053      19.84945 9.223840 39.15021 8.879376 -19.30076      12.80322 
1 1 1 10 24 0  o 10.87652 7.727828 -7.332476      6.564514      -7.332476      6.564514      -7.332476      6.564514      10.87652 7.727828 10.87652 7.727828 -0.000000      0.000000 
1 1 1 10 24 1  o 23.19313 6.602370 2.415821       4.723248      3.769672       6.859938      1.061261       6.493669      24.66716 9.626527 21.71910 9.038537 2.948059       13.20474 
1 1 1 10 24 2  o 47.74643 5.804264 23.58436       5.328974      19.27697       7.743378      27.89883       7.318307      42.83991 9.298461 52.65294 6.949572 -9.813026      11.60853 
1 1 1 10 24 3  o 58.19016 5.031103 34.16154       5.827724      37.26456       8.090520      31.05144       8.388069      60.86647 6.646122 55.51385 7.554935 5.352623       10.06221 
1 1 1 10 24 4  o 70.39833 4.328313 49.87501       6.097645      46.29024       8.310139      53.45977       8.926493      67.86504 6.122549 72.93163 6.119768 -5.066589      8.656626 
1 1 1 10 24 5  o 173.8255 2.961935 302.9340       10.29380      310.3019       14.41699      295.5661       14.69329      175.9488 4.096928 171.7021 4.278715 4.246704       5.923869 
1 1 1 10 24 6  o 82.45984 3.658530 68.41519       6.074266      62.20206       7.630026      74.59997       9.450747      78.73508 4.845379 86.18461 5.482851 -7.449532      7.317059 
1 1 1 10 24 7  o 94.28742 4.099892 89.40662       7.693786      91.81535       8.954830      86.92703       12.51126      95.66070 4.680517 92.91415 6.732698 2.746552       8.199784 
1 1 1 10 24 8  o 150.2167 3.319480 226.6337       9.911241      238.9608       12.71671      214.3067       15.21046      154.3676 4.118969 146.0658 5.206716 8.301834       6.638961 
1 1 1 10 24 9  f 78.86852 4.153433 62.64840       6.531217      66.55904       8.969000      58.74482       9.493254      81.35943 5.511961 76.37760 6.214684 4.981827       8.306866 
1 1 1 10 24 10 o 24.61028 7.140071 2.188408       5.639985      0.5978625      7.445828      3.778882       8.473083      22.67697 9.570230 26.54358 10.59873 -3.866619      14.28014 
1 1 1 10 24 11 o 59.83159 5.565277 36.49944       6.852146      30.95934       6.995253      42.04661       11.78155      55.40236 6.313137 64.26082 9.166980 -8.858463      11.13055 
1 1 1 10 24 12 o 131.1517 2.762148 172.9331       7.226208      187.8814       10.24421      157.9848       10.19462      136.8495 3.742877 125.4539 4.063093 11.39552       5.524297 
1 1 1 10 24 13 o 76.27048 3.588979 58.57479       5.472790      55.24507       7.594603      61.89743       7.885069      74.09863 5.124659 78.44233 5.026029 -4.343704      7.177959 
1 1 1 10 24 14 o 28.92853 6.791098 7.828392       4.726081      10.55593       6.390234      5.102978       6.964789      31.87954 9.394026 25.97752 9.809604 5.902020       13.58220 
1 1 1 10 24 15 o 107.1351 2.982539 115.4068       6.380316      120.7202       8.869816      110.0934       9.174451      109.6237 4.045573 104.6464 4.383548 4.977341       5.965077 
1 1 1 10 24 16 o 81.38649 3.503421 66.86368       5.718623      60.69307       7.580434      73.04137       8.558097      77.62961 4.882437 85.14338 5.025697 -7.513771      7.006841 
1 1 1 10 24 17 o 102.9788 3.055713 106.6928       6.281133      112.0062       8.692703      101.3794       9.068183      105.5705 4.117012 100.3871 4.516609 5.183464       6.111427 
1 1 1 10 24 18 o 68.72850 3.927919 47.77090       5.404070      44.81666       7.346645      50.73223       7.927575      66.60397 5.515171 70.85304 5.594379 -4.249077      7.855838 
1 1 1 10 24 19 o 150.3757 2.686479 227.2713       8.083434      220.4702       11.00934      234.1433       11.84531      148.1299 3.716110 152.6214 3.880619 -4.491531      5.372958 
1 1 1 10 24 20 o 98.27654 3.264839 97.48296       6.390234      104.9217       8.827310      90.04422       9.245295      102.0789 4.323767 94.47417 4.893028 7.604736       6.529677 
1 1 1 10 24 21 o 113.9268 3.133428 130.7802       7.127024      134.4642       9.727042      127.1671       10.42841      115.5585 4.208710 112.2952 4.643301 3.263268       6.266856 
1 1 1 10 24 22 o 28.58796 7.508687 5.573390       6.136609      10.89599       8.090520      0.2505794      9.231127      32.65228 10.72334 24.52365 10.51340 8.128630       15.01737 
1 1 1 10 24 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 24 24 o 22.09017 6.818186 -1.065511      5.734918      -3.856103      7.445828      1.724372       8.728126      19.40523 8.815106 24.77511 10.40406 -5.369888      13.63637 
1 1 1 10 24 25 o 24.63327 7.332492 2.028297       6.189034      0.3425364      7.141194      3.713704       10.11669      21.64884 9.262845 27.61771 11.36932 -5.968874      14.66498 
1 1 1 10 24 26 o 96.49254 3.376014 94.72000       6.537593      87.42295       8.551013      102.0171       9.889987      92.82196 4.606137 100.1631 4.936941 -7.341156      6.752028 
1 1 1 10 24 27 o 69.16791 4.042532 49.23740       5.615897      43.94526       7.289969      54.52245       8.543928      65.48785 5.565894 72.84795 5.864220 -7.360100      8.085064 
1 1 1 10 24 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 24 29 o 30.48004 6.194391 8.196787       5.046302      18.60394       6.744461      -2.213203      7.509589      40.93217 8.520117 20.02791 8.993861 20.90426       12.38878 
1 1 1 10 24 30 o 59.56236 4.227352 37.08745       5.017964      34.31032       7.212039      39.86458       6.976833      57.18784 6.305571 61.93688 5.632212 -4.749043      8.454704 
1 1 1 10 24 31 o 40.37769 6.406683 19.24864       5.133441      24.58328       8.069265      13.91399       6.343478      46.20761 9.054345 34.54775 9.066486 11.65986       12.81337 
1 1 1 10 24 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 24 33 o 30.91065 6.373118 11.26438       4.905321      20.54510       7.360813      1.977997       6.486584      41.13049 9.182925 20.69081 8.839707 20.43967       12.74624 
1 1 1 10 24 34 o 22.09598 6.155396 4.726081       4.040300      6.791219       6.154321      2.660945       5.236167      24.54016 9.232611 19.65180 8.143373 4.888365       12.31079 
1 1 1 10 24 35 o 41.75526 5.329506 20.88516       4.345644      19.77289       6.220915      21.99743       6.070015      39.98543 8.061747 43.52510 6.973005 -3.539677      10.65901 
1 1 1 10 24 36 o 21.64595 6.100794 5.528049       3.990709      6.504296       5.693827      4.552511       5.592519      22.64089 8.783665 20.65101 8.469120 1.989887       12.20159 
1 1 1 10 25 0  o 11.60900 8.087120 -5.184450      6.432742      -5.184450      6.432742      -5.184450      6.432742      11.60900 8.087120 11.60900 8.087120 0.000000       0.000000 
1 1 1 10 25 1  o 33.79791 6.747954 11.87365       4.811096      14.23280       6.831601      9.514507       6.777050      36.75676 9.284739 30.83907 9.794546 5.917685       13.49591 
1 1 1 10 25 2  o 93.22580 3.220107 87.21041       6.003421      87.28126       8.465999      87.13957       8.515590      93.26474 4.538692 93.18687 4.569094 0.7787323E-01  6.440213 
1 1 1 10 25 3  o 89.36521 3.610383 80.19674       6.432742      82.46378       8.104689      78.00054       9.989170      90.65464 4.470090 88.07578 5.670782 2.578857       7.220767 
1 1 1 10 25 4  o 49.14688 6.083960 25.75222       5.799386      16.25897       7.438744      35.23839       8.898154      39.22966 9.556038 59.06411 7.532624 -19.83445      12.16792 
1 1 1 10 25 5  o 39.84942 7.299656 16.75488       5.897861      17.73963       7.807138      15.77014       8.841478      40.95591 9.673658 38.74294 10.93436 2.212971       14.59931 
1 1 1 10 25 6  o 220.8853 3.353708 490.1778       14.78539      475.3712       21.86991      504.9844       19.91458      217.4880 5.027843 224.2826 4.439618 -6.794586      6.707415 
1 1 1 10 25 7  o 154.1479 3.820584 239.8109       11.68237      266.8029       16.05352      212.8189       16.98159      162.9290 4.926537 145.3667 5.840950 17.56235       7.641169 
1 1 1 10 25 8  o 214.4622 3.092707 461.8397       13.26222      461.0605       18.62520      462.6898       18.89441      214.2787 4.346021 214.6457 4.401301 -0.3669586     6.185414 
1 1 1 10 25 9  o 42.35006 6.542300 19.25572       5.813555      7.757547       7.941744      30.76097       8.487252      29.61129 10.57671 55.08883 7.703242 -25.47754      13.08460 
1 1 1 10 25 10 o 123.2957 3.545219 153.4507       8.827310      135.4560       10.81097      171.4453       13.95650      116.0909 4.656254 130.5005 5.347300 -14.40956      7.090438 
1 1 1 10 25 11 o 133.4169 3.041824 178.9549       8.069265      190.2193       10.69762      167.6905       12.09327      137.6738 3.885135 129.1601 4.681506 8.513687       6.083648 
1 1 1 10 25 12 o 37.20272 6.864928 14.43825       5.385650      19.36199       7.074599      9.514507       8.118857      42.88776 8.550792 31.51767 10.74211 11.37009       13.72986 
1 1 1 10 25 13 o 93.22534 3.324724 87.98971       6.138735      102.2296       8.699788      73.82067       8.664365      100.8425 4.313552 85.60816 5.060479 15.23435       6.649449 
1 1 1 10 25 14 o 42.59002 6.116237 19.01485       5.105103      22.55002       7.046970      15.47967       7.389152      47.09424 7.481775 38.08580 9.677628 9.008438       12.23247 
1 1 1 10 25 15 o 81.84200 3.527737 67.82008       5.721456      77.50462       8.012589      58.12139       8.168448      87.76859 4.564611 75.91541 5.379968 11.85318       7.055475 
1 1 1 10 25 16 o 108.8327 3.201549 119.3033       6.961956      115.1943       9.932493      123.3415       9.762465      106.9550 4.643307 110.7104 4.409009 -3.755486      6.403098 
1 1 1 10 25 17 o 70.41074 4.044377 50.15838       5.698786      48.86900       7.849646      51.45485       8.260548      69.51350 5.646130 71.30798 5.792162 -1.794479      8.088754 
1 1 1 10 25 18 o 71.54573 4.064732 51.96494       5.825599      45.65263       7.729208      58.27724       8.721042      67.18362 5.752301 75.90784 5.744493 -8.724220      8.129463 
1 1 1 10 25 19 o 93.71335 3.399266 88.62732       6.368274      89.76084       8.636027      87.49380       9.358648      94.35242 4.576474 93.07428 5.027516 1.278137       6.798532 
1 1 1 10 25 20 f 57.01189 5.496618 34.63621       5.973666      23.13095       7.842561      46.14146       9.011506      46.69440 8.721638 67.32938 6.692106 -20.63497      10.99324 
1 1 1 10 25 21 o 88.14325 4.642211 79.41744       8.189702      75.80434       11.11561      83.03055       12.03660      86.16966 6.449839 90.11684 6.678328 -3.947174      9.284422 
1 1 1 10 25 22 o 23.59413 7.311057 -1.090307      6.595686      -0.9776635     8.628942      -1.203660      9.975000      22.81193 9.974980 24.37633 10.69140 -1.564394      14.62211 
1 1 1 10 25 23 o 79.98065 4.229343 65.22716       6.766423      64.62497       9.450747      65.82934       9.684536      79.62340 5.934654 80.33791 6.027376 -0.7145157     8.458687 
1 1 1 10 25 24 o 130.6398 3.035585 172.6497       7.927575      175.9794       10.81806      169.3200       11.58319      131.9655 4.098821 129.3141 4.478702 2.651413       6.071170 
1 1 1 10 25 25 o 57.40805 5.943761 35.01877       6.512797      37.27165       7.552096      32.76590       10.61261      60.21894 6.270532 54.59715 10.09919 5.621796       11.88752 
1 1 1 10 25 26 o 31.32279 6.774268 9.195704       5.462872      18.32056       7.665448      0.7417490E-01  7.785885      40.54162 9.591677 22.10395 9.568832 18.43767       13.54854 
1 1 1 10 25 27 o 55.08580 12.30053 35.98935       13.20554      35.98935       13.20554      ?              ?             55.08580 12.30053 ?        ?        ?              ?        
1 1 1 10 25 28 o 66.30066 4.267519 45.74473       5.678241      43.39267       7.304138      48.09679       8.692703      64.75598 5.639740 67.84534 6.406264 -3.089363      8.535039 
1 1 1 10 25 29 o 72.03475 4.044848 54.04779       5.838351      51.66030       7.665448      56.43527       8.813140      70.58317 5.430083 73.48634 5.996449 -2.903168      8.089697 
1 1 1 10 25 30 o 53.39863 5.183814 30.95934       5.567014      27.63671       7.119940      34.27490       8.558097      50.69426 7.022433 56.10299 7.627131 -5.408733      10.36763 
1 1 1 10 25 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 25 32 f 45.68958 5.569681 23.86774       4.934367      22.83340       7.474166      24.90916       6.442660      43.75189 8.850920 47.62728 6.763625 -3.875385      11.13936 
1 1 1 10 25 33 o 22.80234 6.228500 4.671531       4.276215      1.494833       6.408655      7.849646       5.664072      19.95012 8.659519 25.65455 8.954864 -5.704433      12.45700 
1 1 1 10 25 34 o 20.57255 6.020406 3.587600       4.079265      2.867104       6.106854      4.308095       5.410447      20.18913 8.599679 20.95597 8.427734 -0.7668419     12.04081 
1 1 1 10 25 35 o 50.34302 4.266275 29.08195       4.304553      30.64054       6.489419      27.52335       5.658404      51.38693 6.314270 49.29910 5.738851 2.087826       8.532550 
1 1 1 10 26 0  o 53.27384 10.83390 31.90158       10.22296      31.90158       10.22296      31.90158       10.22296      53.27384 10.83390 53.27384 10.83390 0.000000       0.000000 
1 1 1 10 26 1  o 45.66375 7.210865 21.85574       6.995961      8.572267       10.44258      35.14629       9.309056      32.44745 12.06216 58.88005 7.905102 -26.43261      14.42173 
1 1 1 10 26 2  o 40.69871 7.098588 17.55543       5.772465      19.14237       7.672533      15.96850       8.628942      42.53848 9.275521 38.85895 10.74823 3.679527       14.19718 
1 1 1 10 26 3  o 30.58989 7.073509 8.954830       5.167447      12.92216       7.488335      4.988209       7.119940      35.12823 10.11122 26.05155 9.894511 9.076687       14.14702 
1 1 1 10 26 4  o 144.5428 2.713734 209.6309       7.849646      209.9851       11.05185      209.2767       11.13686      144.6672 3.819750 144.4184 3.855764 0.2488098      5.427468 
1 1 1 10 26 5  o 61.96195 4.200831 38.77357       5.200744      41.89075       7.488335      35.64929       7.219123      64.47093 5.807528 59.45298 6.071289 5.017956       8.401662 
1 1 1 10 26 6  o 28.53992 6.992561 7.488335       4.906028      5.683200       6.830893      9.294888       7.044137      26.44506 9.770660 30.63478 10.00589 -4.189722      13.98512 
1 1 1 10 26 7  o 72.11059 4.070405 52.46794       5.885818      48.86900       7.800055      56.06687       8.813140      69.64954 5.599502 74.57164 5.909177 -4.922104      8.140811 
1 1 1 10 26 8  o 69.51585 4.604798 48.82650       6.369689      47.04120       9.989170      50.61888       7.906322      68.14879 7.328942 70.88290 5.577030 -2.734116      9.209596 
1 1 1 10 26 9  o 142.9448 2.766892 205.0968       7.913406      206.7971       11.17937      203.4673       11.19354      143.5275 3.894504 142.3621 3.931361 1.165405       5.533784 
1 1 1 10 26 10 o 115.5099 3.151765 134.3933       7.304138      144.5242       11.04476      124.1916       9.564099      119.8646 4.607183 111.1553 4.302134 8.709297       6.303530 
1 1 1 10 26 11 o 110.2076 3.289460 122.2788       7.240376      117.6030       10.55593      126.9546       9.904156      108.0638 4.884119 112.3513 4.407672 -4.287498      6.578920 
1 1 1 10 26 12 o 63.06718 4.862982 40.40301       6.104020      43.71148       8.395153      37.08745       8.862731      65.71677 6.387375 60.41759 7.334562 5.299171       9.725964 
1 1 1 10 26 13 o 171.0407 3.086306 294.3617       10.56302      278.9174       14.38157      309.8768       15.48676      166.5511 4.317465 175.5303 4.411420 -8.979141      6.172611 
1 1 1 10 26 14 o 76.19624 4.085922 58.97152       6.258463      51.11480       8.033843      66.82117       9.599521      71.11830 5.648225 81.27419 5.905640 -10.15589      8.171844 
1 1 1 10 26 15 o 60.71813 4.781864 37.54795       5.823474      34.07653       7.679617      41.01936       8.756464      57.92428 6.629014 63.51197 6.893554 -5.587692      9.563728 
1 1 1 10 26 16 o 152.0200 3.041319 232.6556       9.273635      225.3585       11.68237      239.8818       14.40283      149.7312 3.901114 154.3088 4.666883 -4.577652      6.082638 
1 1 1 10 26 17 o 53.69399 5.669947 30.73264       5.655571      40.45968       7.828392      21.00560       8.161365      63.13463 6.199761 44.25335 9.495060 18.88129       11.33989 
1 1 1 10 26 18 o 136.1850 2.997945 186.8896       8.154280      194.9659       11.34940      178.7424       11.71071      139.1782 4.077290 133.1918 4.396181 5.986359       5.995890 
1 1 1 10 26 19 o 77.95189 4.542654 62.11705       7.005171      69.95253       9.549930      54.28157       10.25130      83.02740 5.751072 72.87638 7.033347 10.15102       9.085307 
1 1 1 10 26 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 26 21 o 31.86543 7.701609 9.472000       6.196119      13.73688       8.118857      5.210663       9.365732      35.64051 10.61031 28.09035 11.16604 7.550163       15.40322 
1 1 1 10 26 22 o 50.47524 6.111650 26.97076       5.989960      28.94734       8.083434      24.99418       8.841478      52.92609 7.636531 48.02439 9.544238 4.901703       12.22330 
1 1 1 10 26 23 o 36.71787 7.639619 14.85623       5.992794      14.13361       8.636027      15.57177       8.317224      35.92146 10.99381 37.51429 10.61091 -1.592831      15.27924 
1 1 1 10 26 24 f 55.76736 6.154588 33.60895       6.345603      41.21772       7.828392      26.00018       9.989170      63.32208 6.181408 48.21264 10.64453 15.10944       12.30918 
1 1 1 10 26 25 o 59.71112 7.810098 40.04170       9.046929      39.31907       14.99793      40.76431       10.13795      57.40439 13.31112 62.01785 8.173409 -4.613461      15.62020 
1 1 1 10 26 26 o 24.11514 7.010886 2.853644       5.509629      4.929408       7.438744      0.7771716      8.133026      25.37593 9.993953 22.85434 9.835193 2.521589       14.02177 
1 1 1 10 26 27 o 59.60130 4.774013 37.56211       5.694535      32.05745       7.566265      43.06678       8.508506      55.16393 6.857983 64.03867 6.643256 -8.874748      9.548025 
1 1 1 10 26 28 o 57.55858 4.986880 35.31632       5.753337      33.69397       7.630026      36.93159       8.607689      56.37841 6.766798 58.73875 7.327096 -2.360336      9.973761 
1 1 1 10 26 29 o 34.64656 7.193309 14.31781       5.334641      13.72271       6.910239      14.90582       8.125941      34.11915 9.678687 35.17397 10.64415 -1.054817      14.38662 
1 1 1 10 26 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 26 31 o 36.32549 6.898561 16.60611       5.184450      12.97175       6.850020      20.24047       7.785885      32.25445 9.775252 40.39651 9.736787 -8.142063      13.79712 
1 1 1 10 26 32 o 31.94963 6.365664 12.75922       4.242918      13.39682       6.094810      12.12869       5.904237      32.73337 9.024030 31.16589 8.980737 1.567484       12.73133 
1 1 1 10 26 33 o 25.53358 6.403399 7.722124       4.536217      13.99901       6.781301      1.450201       6.026091      32.03938 9.729296 19.02779 8.327955 13.01159       12.80680 
1 1 1 10 26 34 o 21.02880 6.023121 3.081765       4.461830      -2.673697      6.638193      8.834394       5.964456      16.69108 7.828793 25.36652 9.155434 -8.675447      12.04624 
1 1 1 10 27 0  o 21.77992 11.86672 6.893944       7.219123      6.893944       7.219123      6.893944       7.219123      21.77992 11.86672 21.77992 11.86672 -0.000000      0.000000 
1 1 1 10 27 1  o 122.3557 3.080171 150.4043       7.530843      152.6005       10.23004      148.2081       11.05893      123.2750 4.149278 121.4364 4.553383 1.838562       6.160341 
1 1 1 10 27 2  f 30.84682 7.650858 8.742295       5.859605      8.813140       8.657280      8.678535       7.899237      31.19562 11.05288 30.49804 10.58189 0.6975803      15.30172 
1 1 1 10 27 3  o 75.08971 4.541785 57.34917       6.702662      47.82758       9.847479      66.87077       9.096521      68.72012 7.164918 81.45931 5.583476 -12.73920      9.083570 
1 1 1 10 27 4  f 75.36575 4.487802 57.40585       6.752253      55.42927       9.897071      59.37534       9.188620      74.02804 6.684678 76.70348 5.989702 -2.675438      8.975603 
1 1 1 10 27 5  o 32.92186 6.999246 9.386987       5.790176      1.557885       9.146112      17.22246       7.105771      25.55532 10.68669 40.28839 9.041706 -14.73308      13.99849 
1 1 1 10 27 6  f 226.1125 3.021985 513.9109       13.68020      519.2242       21.13312      508.5975       17.37124      227.1748 4.651289 225.0502 3.859415 2.124664       6.043970 
1 1 1 10 27 7  o 129.7469 3.173950 169.5325       8.182618      182.2846       10.87473      156.8512       12.22788      134.6916 4.036901 124.8022 4.898903 9.889412       6.347899 
1 1 1 10 27 8  o 126.7138 2.932189 161.6687       7.424574      148.2081       10.25130      175.1293       10.74721      121.4177 4.221499 132.0099 4.070610 -10.59212      5.864377 
1 1 1 10 27 9  o 185.8365 2.916880 347.0705       10.85348      350.6836       16.49984      343.5283       14.09111      186.7256 4.418207 184.9474 3.809489 1.778137       5.833760 
1 1 1 10 27 10 o 85.67740 3.856093 74.17490       6.567348      79.55913       8.798972      68.72691       9.755382      88.87624 4.950126 82.47857 5.913888 6.397667       7.712187 
1 1 1 10 27 11 o 50.06322 5.269424 25.56094       5.249628      28.12554       7.353730      23.00343       7.495420      52.62934 6.986341 47.49710 7.890397 5.132236       10.53885 
1 1 1 10 27 12 o 48.47195 5.865170 24.65412       5.478457      29.14571       7.644195      20.16254       7.849646      53.50190 7.143853 43.44199 9.304099 10.05992       11.73034 
1 1 1 10 27 13 o 138.7559 3.248922 194.0449       9.061099      203.0423       14.21863      185.0476       11.22188      141.8795 5.010811 135.6322 4.136876 6.247253       6.497843 
1 1 1 10 27 14 o 49.23578 6.234896 25.28464       5.995627      25.04377       9.011506      25.53260       7.913406      48.48530 9.635313 49.98625 7.915584 -1.500950      12.46979 
1 1 1 10 27 15 o 36.14706 7.377794 13.78647       5.766089      10.46383       8.451830      17.10911       7.842561      32.45845 10.96017 39.83567 9.879374 -7.377216      14.75559 
1 1 1 10 27 16 o 46.61550 7.483502 23.52060       6.828058      23.05302       9.202788      23.98109       10.08835      46.22635 10.22627 47.00465 10.92862 -0.7782974     14.96700 
1 1 1 10 27 17 o 61.80541 6.309847 39.51744       7.807138      38.53270       10.66220      40.50219       11.39899      61.07964 8.728113 62.53119 9.114644 -1.451550      12.61969 
1 1 1 10 27 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 27 19 o 33.08430 7.923435 9.280719       6.980375      16.76905       8.848563      1.788132       10.80389      39.04747 10.91247 27.12113 11.49092 11.92634       15.84687 
1 1 1 10 27 20 o 83.37009 4.525784 71.12856       7.481250      76.08772       9.528677      66.19773       11.52651      86.50932 5.507313 80.23086 7.183340 6.278458       9.051567 
1 1 1 10 27 21 o 71.80849 4.411265 52.80800       6.330725      53.60855       8.572267      52.00036       9.316141      72.43982 5.916820 71.17716 6.544333 1.262657       8.822531 
1 1 1 10 27 22 o 25.01389 7.023665 3.576265       5.439492      -0.8189703     7.141194      7.970083       8.210957      20.74093 9.071865 29.28684 10.72515 -8.545908      14.04733 
1 1 1 10 27 23 o 49.73663 6.263009 27.60837       5.828433      38.94360       7.991336      16.27314       8.487252      61.40807 6.506747 38.06518 10.70343 23.34289       12.52602 
1 1 1 10 27 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 27 25 o 20.31134 6.411369 -2.128897      5.353770      -5.106521      6.988877      0.8480168      8.111773      17.72062 8.224083 22.90206 9.838042 -5.181438      12.82274 
1 1 1 10 27 26 f 53.09983 5.473282 30.15171       5.785217      31.43401       7.573349      28.86941       8.742295      54.56692 6.939507 51.63274 8.465845 2.934185       10.94656 
1 1 1 10 27 27 o 65.08824 4.707145 45.69514       6.082767      34.43076       7.991336      56.95952       9.174451      56.71213 7.045527 73.46436 6.244151 -16.75222      9.414290 
1 1 1 10 27 28 o 27.90942 7.177645 7.715039       5.523090      1.686824       7.169532      13.73688       8.402238      21.88301 9.319456 33.93582 10.91889 -12.05281      14.35529 
1 1 1 10 27 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 27 30 f 43.90664 8.206603 26.02143       7.353730      23.04594       9.323226      29.00401       11.38482      41.92051 10.98701 45.89277 12.19340 -3.972263      16.41321 
1 1 1 10 27 31 o 27.10757 6.983049 8.742295       5.263088      2.140941       6.542552      15.33798       8.246379      20.56720 8.835218 33.64795 10.81623 -13.08075      13.96610 
1 1 1 10 27 32 o 17.76048 5.640664 -3.002419      4.612021      3.964496       6.213122      -9.967916      6.817431      21.21487 8.835699 14.30610 7.014184 6.908768       11.28133 
1 1 1 10 27 33 o 15.98183 5.208728 -1.695325      3.899319      0.9911240      5.788759      -4.381774      5.226249      17.95735 7.984251 14.00631 6.691421 3.951042       10.41746 
1 1 1 10 27 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 28 0  f 70.92010 6.172793 51.70990       8.628942      51.70990       8.628942      51.70990       8.628942      70.92010 6.172793 70.92010 6.172793 0.000000       0.000000 
1 1 1 10 28 1  o 43.33031 6.343768 19.87916       5.411863      13.96358       7.750463      25.80181       7.552096      36.28668 10.23636 50.37394 7.496035 -14.08726      12.68754 
1 1 1 10 28 2  o 125.5487 2.999933 158.4807       7.530843      163.7941       10.76138      153.2381       10.54176      127.6437 4.215399 123.4537 4.269520 4.190002       5.999866 
1 1 1 10 28 3  o 35.20175 7.233054 13.04260       5.409029      11.85240       7.693786      14.23988       7.601687      33.80247 10.38317 36.60103 10.07264 -2.798565      14.46611 
1 1 1 10 28 4  o 120.6424 3.014645 146.3661       7.275800      147.6413       10.44258      145.0201       10.13086      121.1758 4.308855 120.1091 4.217359 1.066750       6.029291 
1 1 1 10 28 5  o 70.92781 4.306281 51.11480       6.096227      43.81774       8.267632      58.41185       8.961915      65.81477 6.280986 76.04085 5.892829 -10.22608      8.612562 
1 1 1 10 28 6  o 186.5566 2.931709 349.8335       10.92433      359.5393       14.84915      340.1985       16.02518      189.1844 3.924517 183.9288 4.356355 5.255630       5.863417 
1 1 1 10 28 7  o 145.5506 3.393400 214.0941       9.812057      188.9441       14.02026      239.2442       13.73688      136.9005 5.120602 154.2007 4.454220 -17.30023      6.786799 
1 1 1 10 28 8  o 46.29048 6.913318 23.63395       6.595686      37.16538       9.939578      10.09544       8.671450      60.27178 8.245632 32.30917 11.09889 27.96261       13.82664 
1 1 1 10 28 9  o 90.12050 4.197289 82.25125       7.552096      80.76351       11.41316      83.73900       9.897071      89.21449 6.396471 91.02651 5.436368 -1.812019      8.394578 
1 1 1 10 28 10 o 87.95525 4.162334 78.42561       7.382068      85.72267       11.60444      71.19940       9.117774      91.95689 6.309718 83.95360 5.430246 8.003288       8.324669 
1 1 1 10 28 11 o 162.7336 3.163397 266.8029       10.32923      278.4924       15.91891      255.0427       13.17012      166.2311 4.788186 159.2360 4.135408 6.995117       6.326794 
1 1 1 10 28 12 o 67.23645 4.634224 46.16272       6.160697      52.66631       8.494337      39.65913       8.926493      72.09931 5.890720 62.37359 7.155666 9.725719       9.268449 
1 1 1 10 28 13 o 23.38845 6.913041 0.7141194      5.575515      -3.552177      7.459997      4.980416       8.288886      19.72084 8.904297 27.05607 10.57705 -7.335224      13.82608 
1 1 1 10 28 14 o 28.64558 7.546481 6.842227       5.807888      5.657696       7.693786      8.026759       8.706873      27.07337 10.28467 30.21779 11.04641 -3.144415      15.09296 
1 1 1 10 28 15 o 31.50494 7.954313 8.416408       6.660155      13.79356       9.224042      3.037133       9.606606      36.13549 11.42171 26.87439 11.07380 9.261095       15.90863 
1 1 1 10 28 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 28 17 o 83.69897 4.982117 72.12038       8.345562      77.78800       12.29164      66.45277       11.29981      86.98655 7.065252 80.41139 7.026248 6.575157       9.964233 
1 1 1 10 28 18 o 86.37743 4.415478 76.93786       7.630026      92.02789       11.59735      61.84784       9.925409      94.97033 6.105779 77.78453 6.380066 17.18580       8.830956 
1 1 1 10 28 19 o 93.57906 4.051060 89.40662       7.594603      96.98705       11.27147      81.89703       10.18045      97.51736 5.779211 89.64075 5.678473 7.876610       8.102119 
1 1 1 10 28 20 o 36.92845 7.912308 15.04043       6.347020      15.86224       9.082352      14.21863       8.869816      37.83194 11.21399 36.02496 11.16534 1.806980       15.82462 
1 1 1 10 28 21 o 55.58116 6.009636 32.56753       6.673616      30.18713       9.301972      34.94793       9.571183      53.48163 8.696419 57.68069 8.296698 -4.199059      12.01927 
1 1 1 10 28 22 o 62.39037 5.228905 40.76431       6.507129      41.69239       8.430575      39.83624       9.911241      63.36927 6.651944 61.41146 8.069536 1.957806       10.45781 
1 1 1 10 28 23 o 77.31057 8.434626 68.84734       13.24805      59.34700       14.79247      78.35477       21.98326      73.33788 10.08515 81.28326 13.52262 -7.945389      16.86925 
1 1 1 10 28 24 o 27.01031 7.520932 5.256004       6.195411      7.743378       7.573349      2.772172       9.804973      28.10030 10.29936 25.92031 10.96270 2.179987       15.04186 
1 1 1 10 28 25 o 25.22245 7.237993 4.250002       5.725707      5.448702       7.849646      3.052010       8.338477      25.95959 10.25281 24.48530 10.21930 1.474289       14.47599 
1 1 1 10 28 26 o 78.01181 5.563814 67.41627       8.969000      54.60038       8.827310      80.26759       15.62136      71.83461 6.144189 84.18901 9.277555 -12.35440      11.12763 
1 1 1 10 28 27 o 43.53748 7.946622 23.18763       7.119940      26.09228       8.983169      20.29006       11.04476      47.17017 9.843857 39.90479 12.47773 7.265377       15.89324 
1 1 1 10 28 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 28 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 28 30 o 22.02248 6.611124 3.337516       5.084558      1.645733       6.878358      5.029299       7.488335      20.48464 8.931995 23.56032 9.749220 -3.075680      13.22225 
1 1 1 10 28 31 o 93.88048 3.310620 94.43663       6.199661      96.98705       8.281801      91.95705       9.231127      95.58308 4.332253 92.17786 5.007236 3.405220       6.621241 
1 1 1 10 28 32 o 37.62981 6.276182 19.07152       4.665863      19.70204       6.173449      18.44100       6.997378      39.11649 8.158442 36.14315 9.539479 2.973339       12.55236 
1 1 1 10 29 0  o 95.21136 5.045030 91.81535       9.549930      91.81535       9.549930      91.81535       9.549930      95.21136 5.045030 95.21136 5.045030 -0.000000      0.000000 
1 1 1 10 29 1  o 69.14709 4.333071 48.55729       5.972957      53.20473       8.487252      43.90984       8.409323      72.50343 5.853001 65.79076 6.390961 6.712669       8.666142 
1 1 1 10 29 2  o 34.15351 7.197458 12.22079       5.369356      15.12545       7.672533      9.316141       7.509589      37.55875 10.02399 30.74827 10.33118 6.810476       14.39492 
1 1 1 10 29 3  o 73.29472 4.217652 54.53662       6.150779      49.09571       8.820225      59.98461       8.572267      69.56741 6.339337 77.02203 5.564815 -7.454613      8.435305 
1 1 1 10 29 4  o 84.69280 3.761139 72.47462       6.370398      69.99503       8.933578      74.95419       9.082352      83.23600 5.366414 86.14960 5.271267 -2.913605      7.522278 
1 1 1 10 29 5  o 66.04196 4.508444 44.76707       5.885818      54.61454       8.600604      34.92667       8.040927      73.46401 5.853618 58.61991 6.858530 14.84410       9.016888 
1 1 1 10 29 6  o 76.66928 4.286077 59.51703       6.575850      58.74482       8.820225      60.28925       9.755382      76.21370 5.786509 77.12486 6.324408 -0.9111557     8.572154 
1 1 1 10 29 7  o 51.13094 6.081301 27.31790       6.033175      23.64104       8.529759      30.98768       8.536844      47.15646 9.377079 55.10543 7.745920 -7.948971      12.16260 
1 1 1 10 29 8  o 63.66459 5.115128 41.30982       6.510672      40.42426       9.394071      42.18830       9.011506      62.94677 7.461916 64.38241 6.998423 -1.435638      10.23026 
1 1 1 10 29 9  o 40.89326 7.937936 18.47642       6.876941      12.19245       8.168448      24.76748       11.06602      34.18562 10.73892 47.60091 11.69269 -13.41529      15.87587 
1 1 1 10 29 10 o 41.79042 7.455863 18.87316       6.272632      20.74347       8.366816      16.99576       9.344479      43.90821 9.781425 39.67263 11.25537 4.235584       14.91173 
1 1 1 10 29 11 o 143.2151 3.690286 207.4347       10.54885      198.0831       15.21754      216.7154       14.62245      139.9321 5.437473 146.4980 4.990664 -6.565857      7.380572 
1 1 1 10 29 12 o 33.29201 8.675358 9.897071       7.622942      10.65512       11.51943      9.131943       9.996255      34.45085 12.69493 32.13317 11.82734 2.317673       17.35072 
1 1 1 10 29 13 o 48.47924 8.863819 25.95767       9.153197      15.98976       13.65187      35.91851       12.19245      39.54801 13.89305 57.41047 11.01146 -17.86246      17.72764 
1 1 1 10 29 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 29 15 f 67.97359 6.216231 48.18889       8.465999      49.51369       13.31181      46.86409       10.47092      68.60489 9.701794 67.34229 7.774400 1.262596       12.43246 
1 1 1 10 29 16 o 32.32583 7.586520 9.748297       6.231542      16.89658       8.876901      2.603560       8.749379      39.21000 10.92084 25.44167 10.53359 13.76833       15.17304 
1 1 1 10 29 17 o 114.3461 3.300866 132.4096       7.545012      133.4015       10.50634      131.4886       10.83931      114.7874 4.576434 113.9048 4.758057 0.8825912      6.601731 
1 1 1 10 29 18 o 28.46745 7.559169 7.050512       5.839768      6.298136       7.800055      7.800055       8.692703      27.40553 10.37166 29.52936 10.99967 -2.123833      15.11834 
1 1 1 10 29 19 o 68.90358 4.750545 49.07445       6.538302      45.49677       9.153197      52.65922       9.337394      66.32703 6.900050 71.48012 6.531463 -5.153084      9.501089 
1 1 1 10 29 20 o 36.74754 7.379261 15.16795       5.701620      13.14886       7.750463      17.18704       8.359732      34.44206 10.38985 39.05301 10.48166 -4.610954      14.75852 
1 1 1 10 29 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 29 22 o 63.18777 5.219144 42.27332       6.598520      49.09571       9.911241      35.45801       8.713958      68.37263 7.247959 58.00292 7.511654 10.36972       10.43829 
1 1 1 10 29 23 o 62.00224 5.953029 41.58612       7.389152      40.58720       9.932493      42.59212       10.93850      61.43766 8.083393 62.56682 8.741451 -1.129158      11.90606 
1 1 1 10 29 24 o 22.00903 7.089952 -4.879108      7.098687      -11.08019      10.15211      1.322680       9.918325      19.29575 9.244097 24.72231 10.75250 -5.426561      14.17990 
1 1 1 10 29 25 o 42.20301 10.74590 21.70696       9.096521      21.70696       9.096521      ?              ?             42.20301 10.74590 ?        ?        ?              ?        
1 1 1 10 29 26 o 23.48792 7.606506 -2.558219      8.600604      3.122147       9.748297      -8.239295      14.16195      24.15241 10.58136 22.82343 10.93026 1.328981       15.21301 
1 1 1 10 29 27 o 20.03493 9.282526 -0.7268715     8.855647      -0.7268715     8.855647      ?              ?             20.03493 9.282526 ?        ?        ?              ?        
1 1 1 10 29 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 29 29 o 18.49561 5.933349 -1.923447      4.937909      1.691783       6.465331      -5.537968      7.467082      19.95680 8.680600 17.03442 8.091086 2.922382       11.86670 
1 1 1 10 29 30 o 30.89646 7.013856 13.42516       4.919489      12.17829       6.407947      14.67204       7.467082      29.82051 9.529487 31.97241 10.29396 -2.151897      14.02771 
1 1 1 10 29 31 o 30.87026 6.586814 13.44641       4.842268      18.12220       6.291760      8.770633       7.360813      36.77408 8.683128 24.96643 9.906955 11.80765       13.17363 
1 1 1 10 30 0  o 150.4376 4.238718 227.6256       12.73088      227.6256       12.73088      227.6256       12.73088      150.4376 4.238718 150.4376 4.238718 -0.000000      0.000000 
1 1 1 10 30 1  o 21.34262 6.710381 -3.103019      5.842602      -6.112522      8.239295      -0.9273633E-01 8.281801      19.55032 9.018012 23.13493 9.939431 -3.584614      13.42076 
1 1 1 10 30 2  o 55.40563 5.582913 31.46235       6.179825      33.09178       8.721042      29.82582       8.756464      56.88200 7.665906 53.92927 8.118471 2.952724       11.16583 
1 1 1 10 30 3  o 22.53676 6.854291 -0.4964830     5.647778      -2.596476      8.111773      1.603935       7.856731      21.27728 9.456261 23.79625 9.924936 -2.518969      13.70858 
1 1 1 10 30 4  o 96.02417 3.646805 93.16142       7.002337      90.39845       9.783719      95.99522       10.02459      94.57932 5.172229 97.46902 5.142451 -2.889702      7.293611 
1 1 1 10 30 5  o 115.4762 3.389535 134.8184       7.821308      122.1371       10.78972      147.5705       11.32106      109.9950 4.904639 120.9573 4.679776 -10.96224      6.779070 
1 1 1 10 30 6  o 99.83899 3.711017 100.8127       7.417490      105.7010       10.84640      95.92437       10.11669      102.2496 5.303882 97.42838 5.191861 4.821236       7.422034 
1 1 1 10 30 7  o 99.42101 3.892364 100.1751       7.722124      108.0389       10.88890      92.31127       10.94558      103.3789 5.266503 95.46314 5.732882 7.915741       7.784729 
1 1 1 10 30 8  o 51.96794 7.214379 29.02527       7.233293      28.72064       10.79680      29.33699       9.634944      51.48329 10.82779 52.45258 9.536664 -0.9692917     14.42876 
1 1 1 10 30 9  o 70.19194 5.557669 50.92351       7.778800      43.13054       10.56302      58.72357       11.42024      64.71355 8.161364 75.67033 7.546050 -10.95678      11.11534 
1 1 1 10 30 10 o 77.77226 20.55563 76.30025       32.46126      76.30025       32.46126      ?              ?             77.77226 20.55563 ?        ?        ?              ?        
1 1 1 10 30 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 30 12 o 43.33082 8.263618 20.92058       7.332476      20.42466       10.15920      21.40941       10.56302      42.85174 11.57905 43.80989 11.79301 -0.9581528     16.52724 
1 1 1 10 30 13 o 53.63584 6.487820 30.48468       6.820973      29.96043       9.294888      31.00185       9.982086      53.65388 8.661897 53.61781 9.661199 0.3607559E-01  12.97564 
1 1 1 10 30 14 o 64.32882 5.321368 42.76215       6.803263      46.19106       9.216957      39.32616       10.01042      67.08002 6.870121 61.57761 8.128299 5.502411       10.64274 
1 1 1 10 30 15 o 34.94556 7.226426 12.49709       6.213122      1.417612       8.083434      23.58436       9.436578      23.67693 9.980901 46.21418 10.45306 -22.53726      14.45285 
1 1 1 10 30 16 o 96.12968 4.344273 95.28677       8.359732      109.6683       12.54668      80.90520       11.05185      103.4564 6.063756 88.80302 6.222675 14.65333       8.688546 
1 1 1 10 30 17 o 54.09450 7.198751 32.31248       7.516674      34.89833       11.09435      29.72664       10.13795      56.27951 10.23458 51.90949 10.12627 4.370022       14.39750 
1 1 1 10 30 18 f 101.0400 4.196526 105.2759       8.352647      93.09056       12.70254      117.4613       10.84640      94.79336 6.700122 107.2867 5.054867 -12.49330      8.393051 
1 1 1 10 30 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 30 20 o 31.60548 8.730824 8.480167       8.140111      5.154695       11.98701      11.80281       11.01642      29.50021 12.27872 33.71074 12.41541 -4.210529      17.46165 
1 1 1 10 30 21 o 30.55664 7.905860 8.912323       6.761464      0.9975002      8.572267      16.82573       10.45675      23.36754 10.07711 37.74574 12.18451 -14.37820      15.81172 
1 1 1 10 30 22 o 28.13212 7.638600 6.014048       6.597104      -2.750210      8.295970      14.77830       10.25838      20.67267 9.359002 35.59158 12.07485 -14.91891      15.27720 
1 1 1 10 30 23 o 67.82721 4.914014 49.42160       6.655196      47.43793       9.564099      51.40526       9.259464      66.28399 7.214486 69.37043 6.673928 -3.086441      9.828028 
1 1 1 10 30 24 o 36.33823 7.968053 16.00393       6.471707      13.09927       9.153197      18.91566       9.153197      33.30118 11.40586 39.37527 11.12951 -6.074089      15.93611 
1 1 1 10 30 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 30 26 o 40.85639 7.987052 22.27372       6.902445      16.59194       9.386987      27.95551       10.11669      35.23830 11.55061 46.47448 11.03428 -11.23618      15.97410 
1 1 1 10 30 27 o 26.63303 7.391894 8.104689       5.988543      14.00609       9.323226      2.201868       7.516674      31.77897 11.44890 21.48709 9.353239 10.29189       14.78379 
1 1 1 10 30 28 o 33.09928 7.430984 15.21046       5.788759      18.49767       7.559181      11.91616       8.770633      37.01833 9.981428 29.18023 11.01132 7.838093       14.86197 
1 1 1 10 30 29 o 25.57754 7.432054 9.294888       6.327891      1.267420       6.752253      17.32165       10.70471      19.30811 8.602851 31.84697 12.12158 -12.53886      14.86411 
1 1 1 10 30 30 o 52.11599 6.557837 37.64713       6.796887      30.02419       7.679617      45.27007       11.21479      48.71241 7.882607 55.51957 10.48262 -6.807156      13.11567 
1 1 1 10 31 0  o 57.36616 9.850177 35.93267       10.39299      35.93267       10.39299      35.93267       10.39299      57.36616 9.850177 57.36616 9.850177 0.000000       0.000000 
1 1 1 10 31 1  o 37.73098 7.148576 13.32598       6.930075      29.45034       10.05293      -2.793425      9.542846      52.37166 9.956995 23.09029 10.25996 29.28136       14.29715 
1 1 1 10 31 2  o 42.88748 7.955108 20.09878       6.944952      18.39849       10.20170      21.79906       9.429493      41.06213 11.79609 44.71282 10.67648 -3.650688      15.91022 
1 1 1 10 31 3  o 28.59394 8.013247 3.693868       7.247461      -2.891901      10.34340      10.27963       10.15920      24.02777 10.67844 33.16011 11.95070 -9.132336      16.02649 
1 1 1 10 31 4  o 48.80560 6.284710 25.66012       7.757547      -8.055097      10.40716      59.38243       11.51234      21.60910 10.03142 76.00209 7.573701 -54.39299      12.56942 
1 1 1 10 31 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 31 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 31 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 31 8  o 95.97031 4.765660 94.50746       9.146112      93.44479       12.80172      95.49931       13.07094      95.46077 6.705228 96.47985 6.773920 -1.019081      9.531321 
1 1 1 10 31 9  f 86.26561 4.713236 76.22942       8.140111      72.82884       11.15812      79.70082       11.84531      84.33672 6.615218 88.19450 6.715449 -3.857780      9.426472 
1 1 1 10 31 10 o 85.71347 4.472096 75.09589       7.665448      72.19124       10.73304      78.00054       10.94558      84.03737 6.385876 87.38957 6.262521 -3.352203      8.944193 
1 1 1 10 31 11 o 119.3858 3.494800 144.5242       8.345562      148.7749       11.75322      140.2735       11.83823      121.1720 4.849808 117.5996 5.033277 3.572334       6.989600 
1 1 1 10 31 12 o 31.90134 6.559718 5.695244       6.262005      -11.88074      8.777717      23.27264       8.933578      17.73215 8.519263 46.07052 9.977061 -28.33837      13.11944 
1 1 1 10 31 13 o 29.64911 7.670220 7.722124       6.106854      11.39899       8.621859      4.050928       8.650196      33.01778 11.06986 26.28043 10.62014 6.737349       15.34044 
1 1 1 10 31 14 o 28.45971 7.574609 6.590727       6.036717      2.767213       8.409323      10.41424       8.657280      24.97429 10.33266 31.94513 11.07858 -6.970846      15.14922 
1 1 1 10 31 15 o 74.96326 4.493665 57.94427       6.733126      61.78408       9.691620      54.10446       9.351563      77.48425 6.253930 72.44228 6.454493 5.041962       8.987330 
1 1 1 10 31 16 f 33.87056 8.280514 12.12161       6.937868      8.218040       9.408240      16.02518       10.20170      30.08495 11.38929 37.65617 12.02297 -7.571218      16.56103 
1 1 1 10 31 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 31 18 o 26.36552 7.805490 1.676905       7.346645      6.600646       8.791886      -3.246834      11.76738      28.01402 10.90518 24.71702 11.17049 3.297001       15.61098 
1 1 1 10 31 19 o 26.44106 7.579618 3.415446       6.611980      9.075267       9.004422      -2.242250      9.684536      30.13346 11.20103 22.74866 10.21466 7.384796       15.15924 
1 1 1 10 31 20 o 27.86753 7.570845 5.983583       6.305221      10.69762       8.239295      1.271671       9.542846      31.21968 10.80967 24.51538 10.60292 6.704300       15.14169 
1 1 1 10 31 21 o 46.14863 7.856008 26.02852       7.204955      30.19422       10.70471      21.85574       9.649114      50.04551 10.99368 42.25175 11.22526 7.793758       15.71202 
1 1 1 10 31 22 o 44.24234 7.949263 24.27156       7.119940      29.21655       10.88890      19.32656       9.181536      48.80901 11.35775 39.67568 11.12496 9.133327       15.89853 
1 1 1 10 31 23 o 25.88048 8.963524 -12.12161      16.05352      -24.20780      24.10153      -0.3723622E-01 21.20396      24.27346 12.11417 27.48750 13.21461 -3.214041      17.92705 
1 1 1 10 31 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 31 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 31 26 f 32.91352 7.494483 14.75705       6.067889      6.327183       7.651280      23.19471       9.422408      24.73764 9.991659 41.08939 11.17300 -16.35175      14.98897 
1 1 1 10 31 27 o 29.22392 7.373816 11.45567       5.827016      15.90474       7.715039      7.004463       8.735210      33.50830 10.41881 24.93954 10.43748 8.568760       14.74763 
1 1 1 10 31 28 o 26.93890 7.326264 10.56302       5.727833      6.217373       7.707955      14.90582       8.473083      23.19560 9.760641 30.68221 10.92824 -7.486610      14.65253 
1 1 1 10 31 29 o 21.88097 6.526152 4.939326       5.188701      11.08019       7.679617      -1.200117      6.979667      26.33285 10.20410 17.42910 8.138735 8.903746       13.05230 
1 1 1 10 32 0  o 84.67271 6.696191 73.89152       11.20062      73.89152       11.20062      73.89152       11.20062      84.67271 6.696191 84.67271 6.696191 -0.000000      0.000000 
1 1 1 10 32 1  o 34.38136 8.303206 11.98701       6.916615      14.74997       9.939578      9.224042       9.627860      37.07125 11.87066 31.69147 11.61294 5.379786       16.60641 
1 1 1 10 32 2  o 23.06490 7.214617 -2.142358      6.585060      -4.082099      9.153197      -0.2024047     9.472000      21.74271 9.837716 24.38709 10.55567 -2.644381      14.42923 
1 1 1 10 32 3  o 78.52411 4.816537 63.22224       7.566265      61.88326       10.75430      64.56121       10.63386      77.66038 6.923928 79.38785 6.697412 -1.727470      9.633074 
1 1 1 10 32 4  o 76.94980 4.822453 60.73557       7.424574      58.36226       10.30089      63.10180       10.69054      75.44608 6.826657 78.45353 6.813293 -3.007454      9.644905 
1 1 1 10 32 5  o 32.44640 7.937101 9.500339       6.699829      15.86932       9.351563      3.139150       9.592437      38.12843 11.39476 26.76437 11.05214 11.36406       15.87420 
1 1 1 10 32 6  o 38.90321 7.131236 15.86224       6.473125      3.491959       9.188620      28.23180       9.117774      26.56872 10.86913 51.23770 9.234723 -24.66898      14.26247 
1 1 1 10 32 7  o 39.25536 7.931340 14.91999       7.835476      29.25198       10.77555      0.5914864      11.37065      51.54058 10.80027 26.97014 11.61804 24.57044       15.86268 
1 1 1 10 32 8  o 86.27950 4.668828 76.37110       8.040927      78.42561       10.52051      74.38744       12.14995      87.61097 6.004105 84.94803 7.151401 2.662941       9.337656 
1 1 1 10 32 9  o 83.49969 4.351697 71.48279       7.254546      75.73349       10.24421      67.18957       10.27963      86.06123 5.951700 80.93816 6.350302 5.123070       8.703394 
1 1 1 10 32 10 o 36.08555 7.932911 14.19029       6.383859      16.25897       8.883986      12.11453       9.174451      38.24394 11.01492 33.92715 11.41910 4.316784       15.86582 
1 1 1 10 32 11 o 29.19605 7.685131 7.552096       6.077100      4.899652       8.324308      10.20170       8.855647      26.57868 10.53897 31.81343 11.18817 -5.234749      15.37026 
1 1 1 10 32 12 o 59.54407 6.381361 37.60462       7.601687      36.46401       10.30797      38.73814       11.18645      58.73587 8.774853 60.35227 9.267633 -1.616394      12.76272 
1 1 1 10 32 13 o 36.17891 8.533682 14.48075       7.304138      11.23604       9.507423      17.72546       11.08727      32.91398 11.59082 39.44385 12.52788 -6.529869      17.06736 
1 1 1 10 32 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 32 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 32 16 o 29.26888 7.706482 7.941744       6.170615      4.415780       8.437660      11.46275       9.004422      25.91349 10.48185 32.62427 11.30001 -6.710777      15.41296 
1 1 1 10 32 17 o 44.32096 7.381572 22.77672       6.445494      24.05902       8.933578      21.49443       9.294888      45.80631 10.02662 42.83561 10.83593 2.970703       14.76314 
1 1 1 10 32 18 o 58.63729 5.552864 36.91742       6.509964      33.87108       8.947746      39.97085       9.457831      56.15358 7.967208 61.12099 7.736974 -4.967411      11.10573 
1 1 1 10 32 19 o 56.68771 5.805081 35.33757       6.588602      31.90158       8.891070      38.76648       9.719957      53.90497 8.246986 59.47044 8.172091 -5.565475      11.61016 
1 1 1 10 32 20 o 27.64499 7.578049 7.240376       6.113231      3.428906       8.154280      11.05185       9.110690      24.13096 10.09081 31.15901 11.30853 -7.028042      15.15610 
1 1 1 10 32 21 o 43.58931 8.347841 24.83832       7.615856      27.62254       9.790804      22.06119       11.66820      47.11033 10.64170 40.06828 12.86468 7.042049       16.69568 
1 1 1 10 32 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 32 23 o 28.94314 8.646622 8.097604       8.777717      13.12761       12.58210      3.069013       12.24205      31.89069 12.84093 25.99560 11.58304 5.895092       17.29324 
1 1 1 10 32 24 o 18.85757 6.450627 -8.232210      7.219123      -9.804973      8.260548      -6.660863      11.85240      16.50414 8.001852 21.21101 10.11992 -4.706871      12.90125 
1 1 1 10 32 25 o 33.45369 8.240813 16.86824       6.799720      14.26822       8.976085      19.46117       10.22296      31.36730 11.24035 35.54009 12.05398 -4.172796      16.48163 
1 1 1 10 32 26 o 26.39119 7.288474 9.309056       5.728541      13.53851       8.451830      5.073223       7.736294      30.01735 10.89218 22.76502 9.687510 7.252335       14.57695 
1 1 1 10 32 27 o 21.79832 6.643244 4.637525       5.304179      3.463621       7.778800      5.811430       7.219123      21.10860 9.335876 22.48803 9.453685 -1.379421      13.28649 
1 1 1 10 32 28 o 16.84230 5.592985 -3.022255      4.959870      3.843351       7.297054      -9.889987      6.716832      20.16333 8.964701 13.52128 6.690295 6.642050       11.18597 
1 1 1 10 33 0  o 51.47400 10.00415 29.89667       9.202788      29.89667       9.202788      29.89667       9.202788      51.47400 10.00415 51.47400 10.00415 0.000000       0.000000 
1 1 1 10 33 1  o 44.16392 7.377699 21.74947       6.512797      15.81264       9.195704      27.68630       9.231127      37.84516 11.29723 50.48267 9.491804 -12.63752      14.75540 
1 1 1 10 33 2  f 36.39236 7.721403 14.24696       6.432034      21.14729       9.379901      7.346645       8.806056      43.55578 10.80584 29.22895 11.03241 14.32683       15.44281 
1 1 1 10 33 3  o 50.05769 6.873889 28.04761       6.689201      40.12671       9.627860      15.96142       9.287803      62.13981 7.746934 37.97556 11.35722 24.16425       13.74778 
1 1 1 10 33 4  o 35.52858 8.140333 13.65187       6.634651      11.56193       8.990252      15.74180       9.762465      33.31137 11.30389 37.74579 11.71674 -4.434422      16.28067 
1 1 1 10 33 5  o 48.32608 7.979967 26.36149       7.651280      29.53536       12.12161      23.18763       9.344479      50.97471 12.06265 45.67745 10.45045 5.297264       15.95993 
1 1 1 10 33 6  o 40.61847 7.813712 18.50476       6.531926      17.10203       9.301972      19.91458       9.167366      39.08463 11.27563 42.15231 10.82019 -3.067680      15.62742 
1 1 1 10 33 7  o 30.47183 7.927866 8.253463       6.539719      12.03660       9.131943      4.461830       9.365732      33.73502 11.39262 27.20864 11.02780 6.526377       15.85573 
1 1 1 10 33 8  o 35.19212 8.602251 13.09927       7.396237      11.64695       10.39299      14.55868       10.52759      33.84215 12.09823 36.54210 12.23224 -2.699955      17.20450 
1 1 1 10 33 9  o 41.28365 8.360125 19.51785       7.545012      12.29872       10.19462      26.73697       11.12978      34.23034 12.00752 48.33697 11.63555 -14.10663      16.72025 
1 1 1 10 33 10 o 43.27402 8.377855 21.69279       7.481250      22.03993       10.13795      21.34565       10.99517      43.74138 11.45367 42.80666 12.22977 0.9347229      16.75571 
1 1 1 10 33 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 33 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 33 13 o 28.83720 7.706177 7.445828       6.189034      4.555345       8.593520      10.33631       8.905238      26.17752 10.58251 31.49687 11.20496 -5.319355      15.41235 
1 1 1 10 33 14 o 44.44652 7.033929 22.58544       6.368981      14.07694       9.018591      31.10103       8.997337      35.07643 11.31492 53.81661 8.359257 -18.74018      14.06786 
1 1 1 10 33 15 o 36.05149 7.733025 15.03335       6.235793      19.02901       8.692703      11.03059       8.940661      40.31670 10.62855 31.78629 11.23533 8.530405       15.46605 
1 1 1 10 33 16 o 45.23370 7.358457 23.93150       6.532634      22.47209       8.784801      25.38383       9.670367      43.95367 10.18438 46.51373 10.62384 -2.560055      14.71691 
1 1 1 10 33 17 o 40.69121 7.012559 19.56035       6.378191      30.51302       8.954830      8.607689       9.082352      52.41898 8.541592 28.96343 11.12408 23.45555       14.02512 
1 1 1 10 33 18 o 47.65096 7.040699 27.71463       6.918032      43.03136       9.946663      12.39791       9.613690      62.72342 7.928987 32.57851 11.63688 30.14491       14.08140 
1 1 1 10 33 19 o 26.85539 8.099190 4.896819       7.856731      8.040927       10.35756      1.754127       11.82406      28.26391 11.54741 25.44687 11.35979 2.817039       16.19838 
1 1 1 10 33 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 33 21 o 25.92625 7.519406 3.681824       6.908822      12.40499       9.493254      -5.042760      10.03876      31.23103 11.52252 20.62147 9.664240 10.60956       15.03881 
1 1 1 10 33 22 o 44.74811 6.777083 25.60345       5.903528      21.36691       8.111773      29.83999       8.579351      40.37970 10.06781 49.11652 9.074951 -8.736828      13.55417 
1 1 1 10 33 23 o 30.54153 7.294506 12.41208       5.606688      6.449036       7.502505      18.38432       8.331393      24.54617 9.902412 36.53690 10.71361 -11.99072      14.58901 
1 1 1 10 33 24 o 36.10249 7.145552 18.13637       5.468539      21.06227       7.523758      15.20337       7.934660      39.76323 9.563518 32.44176 10.61955 7.321468       14.29110 
1 1 1 10 33 25 o 17.12386 5.673182 -6.321515      5.443035      1.657777       6.678575      -14.30364      8.593520      19.31673 8.583202 14.93099 7.420824 4.385739       11.34636 
1 1 1 10 33 26 o 32.14599 7.232386 16.28022       5.632192      19.79414       7.141194      12.75922       8.713958      36.80925 9.601073 27.48274 10.81892 9.326513       14.46477 
1 1 1 10 34 0  o 47.37486 12.07507 27.33916       9.875818      27.33916       9.875818      27.33916       9.875818      47.37486 12.07507 47.37486 12.07507 -0.000000      0.000000 
1 1 1 10 34 1  o 146.7397 3.327580 219.1950       9.762465      227.6256       13.83606      210.7644       13.77230      149.6064 4.624155 143.8731 4.786268 5.733337       6.655161 
1 1 1 10 34 2  o 44.76467 7.469069 22.60670       6.588602      23.27973       9.486169      21.92658       9.146112      45.42428 10.62105 44.10506 10.50434 1.319221       14.93814 
1 1 1 10 34 3  o 46.83767 7.708416 24.89499       7.112856      24.81706       10.72596      24.97293       9.344479      46.45967 11.57288 47.21567 10.18564 -0.7559967     15.41683 
1 1 1 10 34 4  o 43.64265 8.131104 22.29498       8.218040      5.911322       10.38590      38.68147       12.75213      28.94684 11.66200 58.33846 11.33390 -29.39162      16.26221 
1 1 1 10 34 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 34 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 34 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 34 8  o 52.71637 8.511834 32.81549       8.784801      32.82257       12.08619      32.80840       12.75213      52.91899 11.72989 52.51376 12.33754 0.4052353      17.02367 
1 1 1 10 34 9  o 34.57258 8.172685 13.30472       6.659447      11.90907       9.372816      14.70037       9.464915      33.17817 11.52529 35.96699 11.59046 -2.788826      16.34537 
1 1 1 10 34 10 o 37.56108 8.028001 16.30148       6.541844      15.59302       9.046929      17.01701       9.450747      36.81468 11.24927 38.30749 11.45640 -1.492813      16.05600 
1 1 1 10 34 11 o 28.37417 7.687621 6.812472       6.343478      11.46275       9.131943      2.162195       8.806056      32.34933 11.36288 24.39902 10.35775 7.950306       15.37524 
1 1 1 10 34 12 o 55.29298 6.127252 33.70813       6.585060      28.91900       9.110690      38.49727       9.507423      50.68424 9.337834 59.90172 7.935851 -9.217480      12.25450 
1 1 1 10 34 13 o 43.41719 6.984878 21.95492       6.606313      35.21714       9.323226      8.699788       9.365732      57.08207 8.166510 29.75230 11.33412 27.32977       13.96976 
1 1 1 10 34 14 f 28.54736 7.752602 8.140111       6.236501      8.033843       8.650196      8.246379       8.990252      28.36527 10.86723 28.72944 11.05960 -0.3641663     15.50520 
1 1 1 10 34 15 o 39.47418 8.526608 19.91458       7.389152      16.65570       9.620775      23.18054       11.21479      36.54388 11.67642 42.40448 12.42873 -5.860600      17.05322 
1 1 1 10 34 16 o 22.02052 7.217421 -5.816390      7.630026      -12.12161      9.776634      0.4891151      11.71071      18.35184 8.859294 25.68919 11.39638 -7.337351      14.43484 
1 1 1 10 34 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 34 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 34 19 o 23.60607 6.966255 1.812220       6.036009      -6.572307      8.352647      10.19462       8.713958      18.09814 8.577899 29.11401 10.97882 -11.01587      13.93251 
1 1 1 10 34 20 o 24.58144 7.153521 6.055138       5.666906      5.537968       7.615856      6.572307       8.395153      23.97209 9.865831 25.19078 10.36131 -1.218689      14.30704 
1 1 1 10 34 21 o 30.87577 7.188949 12.39082       5.726415      3.926240       7.530843      20.86390       8.628942      22.61267 9.587873 39.13888 10.71432 -16.52621      14.37790 
1 1 1 10 34 22 o 27.28011 7.071219 9.316141       5.508921      2.328681       7.438744      16.30148       8.125941      20.95844 9.212224 33.60178 10.73049 -12.64333      14.14244 
1 1 1 10 34 23 o 19.89584 6.199208 1.541591       4.953495      5.042760       6.865606      -1.959578      7.141194      22.04596 9.241301 17.74572 8.265537 4.300236       12.39842 
1 1 1 10 34 24 o 40.65282 6.421981 22.76964       5.241835      27.38166       7.254546      18.16470       7.566265      46.71528 7.764640 34.59035 10.23121 12.12493       12.84396 
1 1 1 10 35 0  o 30.99949 16.30557 16.11019       13.25513      16.11019       13.25513      16.11019       13.25513      30.99949 16.30557 30.99949 16.30557 -0.000000      0.000000 
1 1 1 10 35 1  f 65.57489 6.718155 46.78616       8.855647      43.31474       11.20771      50.25757       13.70854      63.49506 8.825653 67.65472 10.13125 -4.159657      13.43631 
1 1 1 10 35 2  o 42.91684 8.460631 21.76364       7.658363      16.45733       10.36465      27.07702       11.27855      37.77234 12.12452 48.06134 11.80361 -10.28900      16.92126 
1 1 1 10 35 3  o 39.07674 8.845105 17.81756       7.849646      19.52493       11.03059      16.11019       11.16520      40.67726 12.41988 37.47622 12.59723 3.201035       17.69021 
1 1 1 10 35 4  f 27.14460 7.895651 4.492292       6.910948      3.799427       9.769550      5.185159       9.776634      26.65385 11.08892 27.63534 11.24283 -0.9814816     15.79130 
1 1 1 10 35 5  o 27.45283 7.785070 5.613063       6.526258      7.083100       9.245295      4.143026       9.216957      28.60061 11.17271 26.30506 10.84435 2.295549       15.57014 
1 1 1 10 35 6  o 35.02650 7.990751 13.37557       6.926533      21.11895       9.748297      5.639985       9.840395      42.24242 11.31019 27.81058 11.29106 14.43185       15.98150 
1 1 1 10 35 7  f 81.73496 4.682728 70.40594       7.630026      78.63815       10.96683      62.18081       10.60552      86.69994 6.324591 76.76998 6.907338 9.929962       9.365457 
1 1 1 10 35 8  o 40.43679 7.765371 19.34073       6.769965      26.72280       9.684536      11.95158       9.457831      48.05592 10.37142 32.81765 11.56018 15.23827       15.53074 
1 1 1 10 35 9  o 44.97718 7.845083 24.00235       7.025717      25.40508       9.797889      22.59961       10.07418      46.52585 10.73941 43.42850 11.43881 3.097343       15.69017 
1 1 1 10 35 10 o 30.07139 8.030920 9.245295       6.692035      12.24913       9.734127      6.237917       9.188620      32.76198 11.70883 27.38079 10.99482 5.381189       16.06184 
1 1 1 10 35 11 o 24.89301 7.747610 1.225622       7.481250      0.4429241      9.854564      2.008461       11.25021      23.83489 10.52912 25.95112 11.36836 -2.116236      15.49522 
1 1 1 10 35 12 o 25.56108 7.933641 1.494833       7.870899      3.038550       10.34340      -0.4881941E-01 11.86657      25.75683 11.08793 25.36534 11.35026 0.3914909      15.86728 
1 1 1 10 35 13 o 22.64872 7.399292 -6.193994      8.083434      -0.8203872     10.59135      -11.56902      12.22079      23.98878 10.72897 21.30865 10.19251 2.680134       14.79858 
1 1 1 10 35 14 o 25.74190 8.196201 -3.761879      9.989170      -22.18163      14.46659      14.65787       13.77939      19.48228 9.675346 32.00153 13.23248 -12.51925      16.39240 
1 1 1 10 35 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 35 16 o 18.96197 6.341450 -5.678241      6.373232      -6.573016      9.004422      -4.783466      9.025676      18.59237 8.856632 19.33157 9.078328 -0.7392006     12.68290 
1 1 1 10 35 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 35 18 o 25.65480 7.265664 7.081684       5.711539      8.565183       7.913406      5.598895       8.232210      26.81027 10.36462 24.49933 10.18499 2.310940       14.53133 
1 1 1 10 35 19 o 33.39883 7.588576 15.50093       5.742002      15.09002       7.856731      15.91183       8.380984      33.12027 10.54867 33.67738 10.91199 -0.5571022     15.17715 
1 1 1 10 35 20 o 25.69820 7.033996 8.288886       5.212788      5.865981       7.204955      10.71888       7.537927      23.42850 9.611273 27.96790 10.27287 -4.539402      14.06799 
1 1 1 10 35 21 o 26.42691 7.014994 7.523758       6.014048      15.94017       7.665448      -0.8933577     9.266549      32.70985 10.41962 20.14396 9.395325 12.56588       14.02999 
1 1 1 10 35 22 o 21.79582 6.531354 4.757962       5.059763      7.630026       7.025717      1.884482       7.282885      23.87562 9.602971 19.71602 8.855355 4.159599       13.06271 
1 1 1 10 35 23 o 22.51116 6.650269 7.098687       5.004504      7.417490       6.971874      6.772799       7.183701      22.76706 9.413142 22.25527 9.396651 0.5117912      13.30054 
1 1 1 10 36 0  o 16.14356 10.82509 -1.549384      9.450747      -1.549384      9.450747      -1.549384      9.450747      16.14356 10.82509 16.14356 10.82509 0.000000       0.000000 
1 1 1 10 36 1  o 48.53208 8.105453 28.47268       7.792970      32.73756       11.91616      24.20780       10.04585      52.10900 11.71875 44.95516 11.20108 7.153835       16.21091 
1 1 1 10 36 2  o 44.57314 8.391171 24.49826       8.040927      14.87749       11.22896      34.12612       11.50526      35.50568 12.58713 53.64059 11.10006 -18.13491      16.78234 
1 1 1 10 36 3  o 60.67507 7.505409 42.76923       8.954830      39.72997       11.98701      45.81557       13.29764      58.17440 10.70342 63.17573 10.52433 -5.001328      15.01082 
1 1 1 10 36 4  o 36.18114 9.598328 15.18212       9.797889      12.94341       15.77722      17.42792       11.62569      34.94440 14.26015 37.41788 12.85144 -2.473480      19.19666 
1 1 1 10 36 5  o 62.32689 6.659945 43.96651       8.295970      42.57087       11.79572      45.35508       11.66820      61.16562 9.642446 63.48816 9.189273 -2.322548      13.31989 
1 1 1 10 36 6  o 39.56350 8.159244 19.85082       7.240376      11.05185       9.351563      28.65688       11.05893      31.17814 11.44312 47.94885 11.63392 -16.77071      16.31849 
1 1 1 10 36 7  o 50.94418 8.176135 32.26998       8.189702      37.12288       11.10144      27.41709       12.04368      55.94339 10.30864 45.94497 12.69364 9.998421       16.35227 
1 1 1 10 36 8  o 20.79194 7.024008 -10.86057      8.140111      -15.23880      10.89599      -6.483042      12.10744      18.69786 9.103197 22.88603 10.69947 -4.188168      14.04802 
1 1 1 10 36 9  o 28.94981 8.574261 6.019715       8.423491      1.288674       11.00226      10.75430       12.76630      25.49917 11.20584 32.40046 12.98079 -6.901291      17.14852 
1 1 1 10 36 10 o 26.94223 8.159345 1.369437       8.664365      11.91616       11.36357      -9.174451      13.07802      31.59096 12.37731 22.29350 10.63493 9.297461       16.31869 
1 1 1 10 36 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 36 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 36 13 o 52.67249 7.246513 35.18880       7.360813      36.88200       10.25130      33.50268       10.55593      54.49215 9.759367 50.85284 10.71460 3.639317       14.49303 
1 1 1 10 36 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 36 15 o 28.46478 7.178948 9.344479       5.776008      16.80448       8.133026      1.888732       8.203872      35.11427 10.65333 21.81528 9.625792 13.29899       14.35790 
1 1 1 10 36 16 o 22.40102 6.849858 2.902527       5.647069      1.776089       8.090520      4.029674       7.877984      21.73013 9.577409 23.07191 9.795687 -1.341785      13.69972 
1 1 1 10 36 17 o 19.48294 6.254830 -1.402735      5.457912      -6.742336      7.474166      3.937575       7.955913      16.40616 7.877109 22.55972 9.718167 -6.153555      12.50966 
1 1 1 10 36 18 o 26.60005 7.011151 8.522675       5.568431      0.5302053      7.488335      16.50693       8.246379      19.73946 8.916492 33.46064 10.82225 -13.72118      14.02230 
1 1 1 10 36 19 o 23.33075 6.908613 6.384568       5.424615      6.062222       7.339560      6.706204       7.984251      22.98162 9.589426 23.67989 9.947796 -0.6982746     13.81723 
1 1 1 10 36 20 o 17.23242 5.697853 -3.110812      5.046302      1.656360       6.988169      -7.877984      7.282885      19.29773 8.670745 15.16710 7.394611 4.130627       11.39571 
1 1 1 10 36 21 o 31.23608 7.179189 16.23063       5.285050      12.05785       7.226208      20.40341       7.715039      26.93628 10.02994 35.53588 10.27440 -8.599609      14.35838 
1 1 1 10 37 0  f 23.66336 13.60154 9.224042       10.10252      9.224042       10.10252      9.224042       10.10252      23.66336 13.60154 23.66336 13.60154 0.000000       0.000000 
1 1 1 10 37 1  o 68.14293 6.046957 52.30500       8.069265      63.76774       11.47692      40.84225       11.34231      76.50899 7.500373 59.77687 9.487209 16.73212       12.09391 
1 1 1 10 37 2  o 26.07212 8.157513 2.140233       8.416408      0.2539800      10.36465      4.026131       13.26222      23.98588 10.67358 28.15837 12.33915 -4.172497      16.31503 
1 1 1 10 37 3  o 50.10483 9.013263 34.40242       9.493254      43.90984       12.73088      24.90208       14.07694      59.07986 11.18098 41.12979 14.14006 17.95007       18.02653 
1 1 1 10 37 4  o 48.43639 9.827388 41.60029       11.52651      13.40391       12.51834      69.78958       19.35490      30.97843 12.68207 65.89434 15.01584 -34.91591      19.65478 
1 1 1 10 37 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 37 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 37 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 37 8  o 24.20224 12.03775 0.000000       0.000000      ?              ?             -2.168571      22.82631      ?        ?        24.20224 12.03775 ?              ?        
1 1 1 10 37 9  f 30.10250 7.839040 7.488335       7.630026      21.62903       10.54885      -6.648820      11.03768      39.32632 12.17389 20.87868 9.879194 18.44764       15.67808 
1 1 1 10 37 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 37 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 37 12 o 35.53014 7.361225 16.79031       6.028925      9.812057       8.643111      23.77564       8.409323      28.07024 10.83604 42.99004 9.966478 -14.91980      14.72245 
1 1 1 10 37 13 o 20.61604 6.583783 -0.4126731     5.824891      -2.946451      8.246379      2.121105       8.225125      19.22542 8.926653 22.00665 9.679859 -2.781229      13.16757 
1 1 1 10 37 14 o 27.33191 7.413483 9.840395       5.695244      9.613690       8.055097      10.06710       8.055097      27.12123 10.46276 27.54259 10.50569 -0.4213505     14.82697 
1 1 1 10 37 15 o 21.88123 6.524762 1.156193       5.542218      -8.876901      7.481250      11.19354       8.182618      15.51837 7.552404 28.24409 10.64196 -12.72572      13.04952 
1 1 1 10 37 16 o 54.16800 5.691089 37.09454       5.762547      24.56202       7.778800      49.62704       8.508506      42.76603 9.351917 65.56996 6.488113 -22.80393      11.38218 
1 1 1 10 37 17 o 24.51437 6.695260 6.867023       5.231208      13.63770       7.297054      0.9861649E-01  7.495420      30.03808 10.18394 18.99066 8.694443 11.04742       13.39052 
1 1 1 10 37 18 o 15.45652 5.302904 -6.598520      5.132025      -6.026091      6.933618      -7.169532      7.566265      15.30721 7.402598 15.60584 7.595046 -0.2986364     10.60581 
1 1 1 10 38 0  o 26.13864 15.47393 12.95758       13.68729      12.95758       13.68729      12.95758       13.68729      26.13864 15.47393 26.13864 15.47393 0.000000       0.000000 
1 1 1 10 38 1  o 27.75552 8.701185 4.992460       9.627860      7.488335       13.62353      2.495167       13.60227      28.93920 12.59446 26.57184 12.00925 2.367359       17.40237 
1 1 1 10 38 2  o 26.14444 8.087749 1.755544       8.699788      -6.297428      13.36140      9.812057       11.14395      22.98739 10.87344 29.30150 11.97560 -6.314106      16.17550 
1 1 1 10 38 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 38 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 38 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 10 38 6  o 44.43555 7.190903 26.43942       6.675741      16.01810       9.323226      36.86074       9.557014      33.47585 11.50760 55.39525 8.626205 -21.91940      14.38181 
1 1 1 10 38 7  o 20.42322 6.493169 -2.352769      5.912738      5.265922       8.437660      -9.975000      8.288886      24.36251 10.23007 16.48393 7.999407 7.878572       12.98634 
1 1 1 10 38 8  o 25.14042 7.353429 5.725707       6.191869      9.982086       8.983169      1.468621       8.522675      28.31743 11.02319 21.96340 9.735546 6.354034       14.70686 
1 1 1 10 38 9  o 19.32696 6.300609 -3.797301      5.857479      -11.12269      7.877984      3.530215       8.671450      15.51945 7.591543 23.13446 10.05779 -7.615009      12.60122 
1 1 1 10 38 10 o 30.26373 7.923733 13.12761       6.372524      13.04968       9.280719      13.19846       8.742295      30.12410 11.33686 30.40336 11.07329 -0.2792645     15.84747 
1 1 1 10 38 11 o 24.12145 7.230078 5.471373       6.190452      10.10252       9.075267      0.8409322      8.423491      27.38169 10.95518 20.86121 9.438231 6.520485       14.46016 
1 1 1 10 38 12 o 26.61882 7.579430 9.209873       6.398028      4.338559       8.841478      14.07694       9.252379      22.94567 10.06475 30.29196 11.33542 -7.346287      15.15886 
1 1 1 10 38 13 o 15.85084 5.509957 -10.68345      6.014756      -10.74013      8.147196      -10.62678      8.848563      15.45619 7.606814 16.24549 7.973385 -0.7892933     11.01991 
1 1 1 10 38 14 o 33.19345 7.843251 17.84590       6.193285      18.14345       8.083434      17.54835       9.386987      34.20926 10.67027 32.17764 11.49834 2.031628       15.68650 
1 1 1 10 38 15 o 27.88809 6.963051 10.80389       5.711539      19.08569       7.707955      2.524214       8.430575      35.16051 10.30336 20.61566 9.368948 14.54486       13.92610 
1 1 1 10 38 16 o 34.43584 7.206806 19.32656       5.401237      22.55711       7.729208      16.09602       7.552096      38.02917 10.02072 30.84250 10.36037 7.186674       14.41361 
1 1 1 10 39 0  o 15.83964 10.48178 1.229164       8.303054      1.229164       8.303054      1.229164       8.303054      15.83964 10.48178 15.83964 10.48178 -0.000000      0.000000 
1 1 1 10 39 1  o 16.77505 5.738284 -8.600604      5.888652      -9.705790      8.451830      -7.488335      8.196787      16.53809 8.041972 17.01200 8.187691 -0.4739075     11.47657 
1 1 1 10 39 2  o 23.64226 7.146987 4.852895       6.031758      6.904571       8.579351      2.801927       8.480167      25.05910 10.40635 22.22541 9.799265 2.833687       14.29397 
1 1 1 10 39 3  f 20.74506 6.689298 -0.3263837     6.215247      -3.668363      8.465999      3.015879       9.103605      18.77360 8.811972 22.71651 10.06658 -3.942907      13.37860 
1 1 1 10 39 4  o 30.83292 8.240750 12.28455       8.083434      3.610270       12.66712      20.96309       10.05293      24.85443 11.34719 36.81142 11.95329 -11.95699      16.48150 
1 1 1 10 39 5  o 32.63591 8.713541 17.12328       7.892153      19.07861       10.66220      15.16087       11.64695      34.39282 12.25803 30.87900 12.38725 3.513821       17.42708 
1 1 1 10 39 6  o 24.81876 7.434579 4.233708       7.073891      -5.631483      10.05293      14.09819       9.953747      19.33644 9.248012 30.30108 11.64329 -10.96464      14.86916 
1 1 1 10 39 7  o 21.05238 6.837489 0.6361897      6.545386      3.132774       10.09544      -1.860394      8.338477      22.91223 10.35113 19.19252 8.936396 3.719704       13.67498 
1 1 1 10 39 8  o 22.48123 6.806249 4.000627       5.705162      -0.9273633     8.133026      8.926493       8.005506      19.28583 8.920234 25.67664 10.28249 -6.390806      13.61250 
1 1 1 10 39 9  o 21.23903 6.667500 2.540508       5.788051      6.558846       8.225125      -1.477830      8.147196      23.61331 10.01652 18.86476 8.802924 4.748550       13.33500 
1 1 1 10 39 10 o 21.64999 6.607218 3.295009       5.540801      8.841478       7.743378      -2.253585      7.927575      25.11935 10.09050 18.18063 8.532471 6.938726       13.21444 
1 1 1 10 39 11 o 22.01845 6.617641 4.506462       5.372190      -1.313470      7.403321      10.32923       7.785885      17.97396 8.388869 26.06294 10.23717 -8.088984      13.23528 
1 1 1 10 39 12 o 18.23753 6.009148 -0.4360521     5.346686      -0.3402694     7.445828      -0.5317639     7.672533      18.19757 8.462068 18.27748 8.534215 -0.7990837E-01 12.01830 
1 1 1 10 40 0  o 15.47612 10.17346 2.140941       7.651280      2.140941       7.651280      2.140941       7.651280      15.47612 10.17346 15.47612 10.17346 0.000000       0.000000 
1 1 1 10 40 1  o 19.84140 6.165123 -0.2952119     5.264505      7.757547       7.233293      -8.345562      7.651280      24.15963 9.732774 15.52318 7.570208 8.636442       12.33025 
1 1 1 10 40 2  o 18.42692 6.178577 -2.878439      6.057263      -0.2772880     9.209873      -5.479875      7.870899      20.07735 9.365145 16.77648 8.061844 3.300871       12.35715 
1 1 1 10 40 3  o 17.01331 5.735259 -5.824182      5.545053      -12.70963      7.622942      1.059844       8.055097      14.15562 7.029095 19.87100 9.064468 -5.715381      11.47052 
1 1 1 10 40 4  o 18.04711 5.975220 -1.734290      5.407613      -2.234457      7.481250      -1.234832      7.814223      17.65687 8.287050 18.43734 8.610332 -0.7804718     11.95044 
1 1 1 10 40 5  o 23.09518 6.611640 4.978999       5.413280      13.51726       7.715039      -3.557845      7.594603      29.09280 10.42135 17.09755 8.139452 11.99525       13.22328 
1 1 1 10 40 6  o 18.89383 6.176840 0.1076847      5.542927      1.505460       7.785885      -1.290091      7.892153      19.56081 8.919937 18.22685 8.546820 1.333967       12.35368 
1 1 1 10 40 7  o 20.30212 6.517561 2.581598       5.824891      -3.895068      7.289969      9.061099       9.089437      16.38865 7.847043 24.21559 10.40857 -7.826944      13.03512 
1 1 1 10 40 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 0  1  o 410.0869 6.284731 1683.990       51.51862      1683.990       51.51862      1683.990       51.51862      410.0869 6.284731 410.0869 6.284731 0.000000       0.000000 
1 1 1 11 0  2  o 162.4331 3.442485 264.2525       11.17229      264.2525       11.17229      264.2525       11.17229      162.4331 3.442485 162.4331 3.442485 -0.000000      0.000000 
1 1 1 11 0  3  o 99.50125 2.805591 99.25409       5.573390      99.25409       5.573390      99.25409       5.573390      99.50125 2.805591 99.50125 2.805591 0.000000       0.000000 
1 1 1 11 0  4  o 159.5485 2.817147 254.8301       8.983169      254.8301       8.983169      254.8301       8.983169      159.5485 2.817147 159.5485 2.817147 -0.000000      0.000000 
1 1 1 11 0  5  o 52.31108 3.819216 27.80673       3.953161      27.80673       3.953161      27.80673       3.953161      52.31108 3.819216 52.31108 3.819216 0.000000       0.000000 
1 1 1 11 0  6  o 9.931931 6.655420 -1.079680      3.561387      -1.079680      3.561387      -1.079680      3.561387      9.931931 6.655420 9.931931 6.655420 0.000000       0.000000 
1 1 1 11 0  7  o 356.1557 4.565817 1269.546       32.51085      1269.546       32.51085      1269.546       32.51085      356.1557 4.565817 356.1557 4.565817 -0.000000      0.000000 
1 1 1 11 0  8  o 100.7715 2.845243 101.8045       5.724290      101.8045       5.724290      101.8045       5.724290      100.7715 2.845243 100.7715 2.845243 -0.000000      0.000000 
1 1 1 11 0  9  o 74.30505 3.171686 55.52136       4.694910      55.52136       4.694910      55.52136       4.694910      74.30505 3.171686 74.30505 3.171686 -0.000000      0.000000 
1 1 1 11 0  10 o 827.1038 12.10879 6857.813       200.2085      6857.813       200.2085      6857.813       200.2085      827.1038 12.10879 827.1038 12.10879 -0.000000      0.000000 
1 1 1 11 0  11 o 544.9702 8.161489 2974.081       88.91070      2974.081       88.91070      2974.081       88.91070      544.9702 8.161489 544.9702 8.161489 -0.000000      0.000000 
1 1 1 11 0  12 o 57.63811 4.667686 33.87817       5.311971      33.87817       5.311971      33.87817       5.311971      57.63811 4.667686 57.63811 4.667686 -0.000000      0.000000 
1 1 1 11 0  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 0  14 o 352.8104 5.613598 1246.167       39.58828      1246.167       39.58828      1246.167       39.58828      352.8104 5.613598 352.8104 5.613598 -0.000000      0.000000 
1 1 1 11 0  15 o 300.3200 4.054400 902.5676       24.34240      902.5676       24.34240      902.5676       24.34240      300.3200 4.054400 300.3200 4.054400 0.000000       0.000000 
1 1 1 11 0  16 f 170.1009 3.792160 289.8276       12.88674      289.8276       12.88674      289.8276       12.88674      170.1009 3.792160 170.1009 3.792160 -0.000000      0.000000 
1 1 1 11 0  17 o 95.56470 4.236087 91.88619       8.062181      91.88619       8.062181      91.88619       8.062181      95.56470 4.236087 95.56470 4.236087 -0.000000      0.000000 
1 1 1 11 0  18 o 625.8849 7.620357 3921.989       95.35760      3921.989       95.35760      3921.989       95.35760      625.8849 7.620357 625.8849 7.620357 0.000000       0.000000 
1 1 1 11 0  19 f 418.0370 5.347927 1749.168       44.69622      1749.168       44.69622      1749.168       44.69622      418.0370 5.347927 418.0370 5.347927 0.000000       0.000000 
1 1 1 11 0  20 o 1124.894 13.39684 12702.54       301.3045      12702.54       301.3045      12702.54       301.3045      1124.894 13.39684 1124.894 13.39684 0.000000       0.000000 
1 1 1 11 0  21 o 197.7334 3.344951 391.4196       13.21971      391.4196       13.21971      391.4196       13.21971      197.7334 3.344951 197.7334 3.344951 0.000000       0.000000 
1 1 1 11 0  22 o 213.3901 3.368342 455.8179       14.36740      455.8179       14.36740      455.8179       14.36740      213.3901 3.368342 213.3901 3.368342 0.000000       0.000000 
1 1 1 11 0  23 o 202.4516 3.300112 410.3353       13.35432      410.3353       13.35432      410.3353       13.35432      202.4516 3.300112 202.4516 3.300112 0.000000       0.000000 
1 1 1 11 0  24 o 255.6483 3.705448 654.3969       18.93692      654.3969       18.93692      654.3969       18.93692      255.6483 3.705448 255.6483 3.705448 -0.000000      0.000000 
1 1 1 11 0  25 o 35.61745 7.136552 14.11236       4.514963      14.11236       4.514963      14.11236       4.514963      35.61745 7.136552 35.61745 7.136552 0.000000       0.000000 
1 1 1 11 0  26 o 61.42228 4.164638 38.28473       5.068264      38.28473       5.068264      38.28473       5.068264      61.42228 4.164638 61.42228 4.164638 0.000000       0.000000 
1 1 1 11 0  27 o 202.2342 3.946119 409.9102       15.94725      409.9102       15.94725      409.9102       15.94725      202.2342 3.946119 202.2342 3.946119 0.000000       0.000000 
1 1 1 11 0  28 o 231.5954 3.507421 537.3607       16.23771      537.3607       16.23771      537.3607       16.23771      231.5954 3.507421 231.5954 3.507421 0.000000       0.000000 
1 1 1 11 0  29 o 41.85572 5.278254 17.76797       4.461830      17.76797       4.461830      17.76797       4.461830      41.85572 5.278254 41.85572 5.278254 -0.000000      0.000000 
1 1 1 11 0  30 o 76.75296 3.529044 59.37534       5.392735      59.37534       5.392735      59.37534       5.392735      76.75296 3.529044 76.75296 3.529044 -0.000000      0.000000 
1 1 1 11 0  31 o 94.37935 3.312126 89.54830       6.235084      89.54830       6.235084      89.54830       6.235084      94.37935 3.312126 94.37935 3.312126 0.000000       0.000000 
1 1 1 11 0  32 o 90.68571 3.390653 82.74717       6.130942      82.74717       6.130942      82.74717       6.130942      90.68571 3.390653 90.68571 3.390653 0.000000       0.000000 
1 1 1 11 0  33 o 101.4386 3.327023 103.4340       6.733834      103.4340       6.733834      103.4340       6.733834      101.4386 3.327023 101.4386 3.327023 0.000000       0.000000 
1 1 1 11 0  34 o 13.38951 8.473417 0.9797888      4.750169      0.9797888      4.750169      0.9797888      4.750169      13.38951 8.473417 13.38951 8.473417 0.000000       0.000000 
1 1 1 11 0  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 0  36 o 317.9940 5.349177 1020.171       33.99860      1020.171       33.99860      1020.171       33.99860      317.9940 5.349177 317.9940 5.349177 0.000000       0.000000 
1 1 1 11 0  37 o 127.2861 3.867764 163.2981       9.826226      163.2981       9.826226      163.2981       9.826226      127.2861 3.867764 127.2861 3.867764 0.000000       0.000000 
1 1 1 11 0  38 o 27.74745 13.89044 12.35540       9.337394      12.35540       9.337394      12.35540       9.337394      27.74745 13.89044 27.74745 13.89044 0.000000       0.000000 
1 1 1 11 0  39 o 43.95436 6.589648 20.55927       5.533009      20.55927       5.533009      20.55927       5.533009      43.95436 6.589648 43.95436 6.589648 0.000000       0.000000 
1 1 1 11 0  40 o 149.3574 3.804883 225.5711       11.34940      225.5711       11.34940      225.5711       11.34940      149.3574 3.804883 149.3574 3.804883 0.000000       0.000000 
1 1 1 11 0  41 o 73.19476 4.622389 55.03254       6.711164      55.03254       6.711164      55.03254       6.711164      73.19476 4.622389 73.19476 4.622389 0.000000       0.000000 
1 1 1 11 0  42 o 17.20886 9.959785 4.687826       5.467123      4.687826       5.467123      4.687826       5.467123      17.20886 9.959785 17.20886 9.959785 0.000000       0.000000 
1 1 1 11 0  43 o 70.03490 3.812610 50.38509       5.307012      50.38509       5.307012      50.38509       5.307012      70.03490 3.812610 70.03490 3.812610 -0.000000      0.000000 
1 1 1 11 0  44 o 62.80199 3.601871 40.72181       4.493001      40.72181       4.493001      40.72181       4.493001      62.80199 3.601871 62.80199 3.601871 -0.000000      0.000000 
1 1 1 11 0  45 o 30.60448 10.26611 13.91399       5.593227      13.91399       5.593227      13.91399       5.593227      30.60448 10.26611 30.60448 10.26611 -0.000000      0.000000 
1 1 1 11 1  0  o 308.9600 4.991382 955.7015       30.82474      955.7015       30.82474      955.7015       30.82474      308.9600 4.991382 308.9600 4.991382 -0.000000      0.000000 
1 1 1 11 1  1  o 367.1204 4.045165 1348.892       29.70539      1357.394       42.26623      1341.099       41.74198      368.2275 5.739146 366.0133 5.702249 2.214233       8.090330 
1 1 1 11 1  2  o 553.1568 5.832115 3066.888       64.51162      3101.602       92.24043      3032.174       90.25676      556.2809 8.290813 550.0327 8.204673 6.248291       11.66423 
1 1 1 11 1  3  o 648.8436 6.185153 4220.956       80.19674      4237.959       101.9462      4203.953       123.9082      650.3165 7.838201 647.3707 9.570113 2.945740       12.37031 
1 1 1 11 1  4  o 309.4909 3.215454 958.5353       19.90749      957.1183       25.14295      959.9522       30.86724      309.2845 4.064697 309.6973 4.983454 -0.4128113     6.430908 
1 1 1 11 1  5  o 447.3341 4.389512 2004.210       39.31199      1984.373       49.20906      2023.338       61.31650      445.2227 5.526343 449.4456 6.821348 -4.222961      8.779024 
1 1 1 11 1  6  o 415.5603 4.111956 1729.331       34.18988      1722.246       43.08804      1735.707       53.09137      414.8017 5.193812 416.3189 6.376287 -1.517212      8.223911 
1 1 1 11 1  7  o 358.7194 3.628729 1287.965       26.04977      1278.755       32.74464      1297.175       40.53053      357.4695 4.580061 359.9694 5.629719 -2.499878      7.257458 
1 1 1 11 1  8  o 637.3068 6.077766 4070.764       77.36294      4125.314       99.39579      4016.922       118.5948      641.6866 7.744885 632.9268 9.368763 8.759827       12.15553 
1 1 1 11 1  9  o 160.4386 2.258787 257.5222       7.233293      264.2525       9.351563      250.7919       11.03059      162.5398 2.876700 158.3374 3.483255 4.202316       4.517573 
1 1 1 11 1  10 o 177.3330 2.322168 314.6234       8.218040      324.0458       10.69762      305.2010       12.46875      179.9932 2.971674 174.6727 3.569176 5.320496       4.644337 
1 1 1 11 1  11 o 512.3228 4.970767 2627.648       50.99436      2597.893       63.71815      2657.403       79.62997      509.4792 6.253263 515.1664 7.728570 -5.687164      9.941534 
1 1 1 11 1  12 o 416.4895 3.701184 1735.707       30.83891      1708.077       42.84716      1763.336       44.35616      413.1765 5.185091 419.8025 5.282980 -6.625946      7.402368 
1 1 1 11 1  13 o 330.0058 3.058657 1089.599       20.19088      1110.144       29.01818      1069.054       28.08303      333.1164 4.355563 326.8953 4.295416 6.221069       6.117314 
1 1 1 11 1  14 o 552.3752 4.768044 3054.136       52.66631      3059.803       74.59997      3049.177       74.38744      552.8553 6.746789 551.8951 6.739273 0.9602051      9.536088 
1 1 1 11 1  15 o 497.6613 4.863781 2479.581       48.47936      2514.295       75.94603      2444.159       60.28925      501.1290 7.577494 494.1935 6.099761 6.935455       9.727563 
1 1 1 11 1  16 o 603.9952 5.795981 3655.611       69.81084      3506.128       104.6383      3805.803       92.38211      591.5266 8.844769 616.4638 7.492906 -24.93719      11.59196 
1 1 1 11 1  17 o 239.4339 3.166729 573.6334       15.16795      565.9113       21.40233      581.3555       21.48734      237.8216 4.499661 241.0462 4.457100 -3.224640      6.333458 
1 1 1 11 1  18 o 126.7591 2.322943 160.8186       5.886526      154.5842       8.310139      166.9821       8.338477      124.3140 3.342399 129.2042 3.226860 -4.890228      4.645886 
1 1 1 11 1  19 o 279.5766 3.147297 782.1308       17.61211      773.6293       22.21705      790.6322       27.34624      278.0737 3.994813 281.0796 4.864501 -3.005859      6.294593 
1 1 1 11 1  20 o 589.0951 5.701348 3479.207       67.28875      3533.757       105.2759      3424.656       83.80984      593.5600 8.868179 584.6301 7.167767 8.929871       11.40270 
1 1 1 11 1  21 o 509.7980 4.466397 2603.560       45.55345      2655.986       65.65223      2551.844       63.15848      514.8871 6.375400 504.7088 6.256922 10.17831       8.932794 
1 1 1 11 1  22 o 272.0704 2.543957 741.0406       13.84315      739.6237       18.18596      741.7490       20.87807      271.8867 3.344399 272.2540 3.834301 -0.3672485     5.087914 
1 1 1 11 1  23 o 70.03856 2.776066 49.13822       3.887983      51.77366       5.589684      46.50277       5.405487      71.91881 3.886107 68.15830 3.965391 3.760506       5.552131 
1 1 1 11 1  24 o 198.8620 2.156289 395.8120       8.579351      394.4659       11.23604      397.1581       12.96467      198.5361 2.829724 199.1879 3.254380 -0.6518707     4.312578 
1 1 1 11 1  25 o 228.1902 2.290604 521.3496       10.47092      510.2978       13.48184      532.4015       16.02518      225.7904 2.985476 230.5899 3.474823 -4.799423      4.581207 
1 1 1 11 1  26 o 173.8939 2.206004 302.7923       7.672533      302.1547       10.89599      303.3590       10.80389      173.7198 3.136081 174.0679 3.103355 -0.3480682     4.412008 
1 1 1 11 1  27 o 297.4333 2.709328 886.2732       16.13853      869.2704       20.81431      903.9844       24.67537      294.5688 3.533014 300.2979 4.108483 -5.729126      5.418655 
1 1 1 11 1  28 o 155.2717 3.009073 241.5112       9.344479      241.5112       9.344479      ?              ?             155.2717 3.009073 ?        ?        ?              ?        
1 1 1 11 1  29 o 132.5567 2.428082 176.4045       6.488710      164.2900       7.771716      188.5190       10.39299      128.0391 3.034899 137.0743 3.791006 -9.035141      4.856165 
1 1 1 11 1  30 o 86.01881 2.349583 74.17490       4.042426      72.54546       5.677533      75.87518       5.754754      85.05272 3.337655 86.98490 3.307904 -1.932182      4.699167 
1 1 1 11 1  31 o 102.5193 2.230458 105.4176       4.572348      106.6928       6.412906      104.1424       6.519882      103.1438 3.108721 101.8949 3.199318 1.248901       4.460917 
1 1 1 11 1  32 o 56.59922 3.070781 32.40458       3.462912      36.93867       5.025048      27.87049       4.766464      60.59485 4.146432 52.60358 4.530550 7.991268       6.141562 
1 1 1 11 1  33 o 80.12111 2.541950 64.62497       4.073598      70.42719       5.952412      58.82275       5.562055      83.72930 3.554558 76.51291 3.634717 7.216393       5.083900 
1 1 1 11 1  34 o 87.83217 2.622818 77.57547       4.607062      78.92152       6.556721      76.22942       6.474541      88.59538 3.700374 87.06895 3.718054 1.526428       5.245636 
1 1 1 11 1  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 1  36 o 217.2716 2.549183 475.5837       11.07310      462.1231       15.54343      489.1151       15.78431      214.1780 3.628625 220.3651 3.581398 -6.187134      5.098365 
1 1 1 11 1  37 o 63.66046 3.268522 41.12563       4.160029      40.31091       5.912738      41.94743       5.854646      63.01314 4.691671 64.30778 4.552051 -1.294636      6.537044 
1 1 1 11 1  38 o 132.1590 7.464636 0.000000       0.000000      ?              ?             183.4182       19.73038      ?        ?        132.1590 7.464636 ?              ?        
1 1 1 11 1  39 o 133.6188 2.274419 180.5844       6.047344      167.9031       8.919409      193.2656       8.168448      128.8139 3.462129 138.4236 2.950525 -9.609726      4.548839 
1 1 1 11 1  40 o 37.01049 4.887683 15.56469       3.531632      23.05302       5.417531      8.076350       4.532674      47.01707 5.761238 27.00390 7.897211 20.01317       9.775367 
1 1 1 11 1  41 o 65.95494 3.049009 44.68206       4.019047      44.28532       5.970123      45.08587       5.382816      65.55891 4.553251 66.35097 4.056321 -0.7920532     6.098019 
1 1 1 11 1  42 o 55.85201 3.611401 33.21930       3.971580      30.10212       6.145111      36.32941       5.033550      52.72550 5.827456 58.97852 4.267274 -6.253025      7.222803 
1 1 1 11 1  43 o 55.11745 3.009230 31.79531       3.314137      31.66071       5.020798      31.92284       4.327932      54.80979 4.580202 55.42510 3.904307 -0.6153145     6.018460 
1 1 1 11 1  44 o 18.97224 4.819971 3.108686       2.658111      -0.2287591     3.982208      6.446203       3.521005      14.86748 6.615969 23.07700 7.011235 -8.209524      9.639941 
1 1 1 11 1  45 o 22.64001 5.528768 6.743752       3.110812      6.269090       4.857854      7.219123       3.886566      21.81881 8.203897 23.46120 7.413849 -1.642387      11.05754 
1 1 1 11 2  0  o 407.5755 6.266955 1663.445       51.05812      1663.445       51.05812      1663.445       51.05812      407.5755 6.266955 407.5755 6.266955 -0.000000      0.000000 
1 1 1 11 2  1  o 307.8102 3.516141 947.9085       21.64320      943.6578       30.52719      952.8677       30.69721      307.0629 4.970836 308.5575 4.974311 -1.494598      7.032281 
1 1 1 11 2  2  f 107.8763 2.369761 116.4695       5.111480      113.6357       7.197870      119.2324       7.261631      106.5794 3.376763 109.1731 3.325741 -2.593704      4.739523 
1 1 1 11 2  3  o 294.5960 3.406894 868.5620       20.07044      869.2704       28.46559      867.8535       28.30973      294.7156 4.829333 294.4764 4.806792 0.2391968      6.813788 
1 1 1 11 2  4  o 603.8300 5.788679 3654.903       70.03754      3598.935       86.99788      3710.871       109.7392      599.3580 7.257589 608.3020 9.020123 -8.944031      11.57736 
1 1 1 11 2  5  o 521.9238 5.034730 2729.665       52.44669      2793.425       68.19556      2665.196       79.70082      528.1382 6.456223 515.7093 7.727302 12.42896       10.06946 
1 1 1 11 2  6  o 132.3564 2.160297 175.2710       5.739168      168.4698       7.141194      182.1430       8.990252      129.7787 2.751297 134.9341 3.331351 -5.155365      4.320594 
1 1 1 11 2  7  o 351.8564 3.570377 1239.082       25.12878      1237.665       31.81657      1240.499       38.90108      351.6847 4.523451 352.0280 5.525283 -0.3433228     7.140753 
1 1 1 11 2  8  o 537.6863 5.188573 2896.151       55.78349      2898.276       70.65389      2893.317       86.36028      538.0040 6.566298 537.3687 8.035477 0.6353760      10.37715 
1 1 1 11 2  9  o 732.3569 6.950531 5377.857       101.8045      5382.108       129.0091      5372.898       157.4888      732.8599 8.801756 731.8539 10.75958 1.006042       13.90106 
1 1 1 11 2  10 o 454.5716 3.988142 2067.971       36.27273      2125.355       52.63797      2011.295       49.92460      460.8354 5.711146 448.3078 5.568116 12.52759       7.976284 
1 1 1 11 2  11 o 340.7888 3.124421 1161.861       21.29606      1155.485       29.93917      1168.237       30.29340      339.8541 4.404710 341.7234 4.432444 -1.869293      6.248842 
1 1 1 11 2  12 o 332.3314 3.441686 1105.185       22.94675      1135.648       36.24440      1074.721       28.15387      336.8948 5.379185 327.7680 4.294786 9.126801       6.883373 
1 1 1 11 2  13 o 506.5698 4.401843 2568.846       44.59704      2589.391       63.54104      2547.593       62.59880      508.6292 6.246304 504.5104 6.203917 4.118774       8.803686 
1 1 1 11 2  14 o 235.5214 2.745858 555.0720       12.98592      574.6961       20.66554      535.4479       15.74180      239.6764 4.311133 231.3663 3.401921 8.310074       5.491715 
1 1 1 11 2  15 o 694.4891 5.911016 4830.224       82.10956      4915.239       118.0989      4745.918       114.1316      700.5669 8.428810 688.4114 8.289490 12.15552       11.82203 
1 1 1 11 2  16 o 1002.872 7.893753 10088.35       158.1264      10286.72       211.6145      9897.071       235.0643      1012.760 10.44742 992.9847 11.83625 19.77521       15.78751 
1 1 1 11 2  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 2  18 o 310.4375 3.225379 964.9113       20.22630      1015.920       34.11904      913.9028       21.74947      318.6172 5.354237 302.2578 3.597835 16.35941       6.450757 
1 1 1 11 2  19 o 603.9443 5.217306 3654.194       63.02387      3683.949       90.04422      3623.731       88.20225      606.4263 7.424169 601.4624 7.332316 4.963867       10.43461 
1 1 1 11 2  20 o 214.1505 2.693967 460.2812       11.46275      408.6350       16.46442      511.9981       15.95433      202.0820 4.073698 226.2190 3.526302 -24.13704      5.387933 
1 1 1 11 2  21 o 300.2788 2.516615 902.5676       15.11128      894.7746       21.29606      909.6522       21.45192      299.0408 3.560728 301.5168 3.557334 -2.476044      5.033231 
1 1 1 11 2  22 o 391.1377 3.073169 1531.673       24.03777      1520.338       33.87817      1542.300       34.11904      389.7352 4.346305 392.5401 4.345930 -2.804901      6.146339 
1 1 1 11 2  23 o 272.3105 2.357087 742.4575       12.83715      734.6645       18.12928      749.5420       18.17887      270.9449 3.345566 273.6761 3.321239 -2.731140      4.714174 
1 1 1 11 2  24 o 119.0733 2.143190 141.9737       5.106521      135.9519       7.027133      147.9956       7.410406      116.5475 3.014708 121.5992 3.047063 -5.051659      4.286381 
1 1 1 11 2  25 o 103.2732 2.455951 108.3223       4.843685      82.95970       7.566265      133.6140       6.045219      90.99750 4.157403 115.5489 2.615870 -24.55142      4.911901 
1 1 1 11 2  26 o 212.3910 2.195339 451.7797       9.301972      434.2101       13.72271      469.4201       12.56793      208.2353 3.295002 216.5467 2.901900 -8.311417      4.390678 
1 1 1 11 2  27 o 275.6296 2.550458 760.8772       14.04151      746.7082       20.96309      775.7547       18.68896      272.9651 3.839884 278.2941 3.357771 -5.329010      5.100915 
1 1 1 11 2  28 f 150.3307 2.340201 226.5629       7.063264      235.3477       11.03768      217.7781       8.813140      153.2167 3.601983 147.4447 2.988626 5.772034       4.680402 
1 1 1 11 2  29 o 200.0833 2.152474 401.2671       8.600604      393.6158       12.92216      408.8475       11.35648      198.1525 3.260660 202.0141 2.810814 -3.861618      4.304948 
1 1 1 11 2  30 o 101.9467 2.065717 104.2133       4.192617      98.19141       6.252087      110.3059       5.588267      98.96334 3.158789 104.9300 2.662855 -5.966652      4.131434 
1 1 1 11 2  31 o 56.87866 2.792448 32.55336       3.190158      35.13212       4.875566      29.97460       4.116105      59.12327 4.123220 54.63405 3.766978 4.489220       5.584896 
1 1 1 11 2  32 o 59.55077 2.786953 35.91851       3.341059      41.99702       5.183742      29.83999       4.217413      64.62050 4.010911 54.48104 3.870533 10.13945       5.573906 
1 1 1 11 2  33 o 153.9824 2.109248 237.8981       6.495085      241.3695       9.011506      234.4267       9.351563      155.1190 2.904707 152.8459 3.059149 2.273163       4.218497 
1 1 1 11 2  34 o 131.3278 2.080709 173.0748       5.464289      172.5788       8.019674      173.5707       7.424574      131.1213 3.058112 131.5343 2.822295 -0.4130249     4.161418 
1 1 1 11 2  35 o 57.45473 8.243011 34.30323       9.472000      34.30323       9.472000      ?              ?             57.45473 8.243011 ?        ?        ?              ?        
1 1 1 11 2  36 o 43.55562 4.019833 19.44700       3.497626      22.55711       5.204995      16.32981       4.673656      47.08713 5.526983 40.02412 5.838551 7.063011       8.039665 
1 1 1 11 2  37 o 78.49901 2.630969 62.23040       4.135233      64.10072       6.150779      60.36009       5.530175      79.65006 3.861126 77.34795 3.574868 2.302116       5.261937 
1 1 1 11 2  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 2  39 o 66.37436 2.922747 44.81666       3.878774      44.74582       5.748378      44.88750       5.210663      66.26488 4.337424 66.48385 3.918743 -0.2189713     5.845494 
1 1 1 11 2  40 o 109.8305 2.252795 122.3496       4.932950      115.1234       7.190785      129.5758       6.752962      106.4948 3.376121 113.1662 2.983648 -6.671440      4.505591 
1 1 1 11 2  41 o 43.63607 4.067973 19.99959       3.552177      20.40341       5.202161      19.58869       4.838017      44.02369 5.908366 43.24844 5.593285 0.7752457      8.135946 
1 1 1 11 2  42 o 20.94194 5.577868 4.287550       3.191576      4.886192       4.539051      3.688200       4.488042      21.71847 7.972210 20.16542 7.803480 1.553049       11.15574 
1 1 1 11 2  43 o 22.22712 5.137563 5.461455       2.827431      8.820225       4.259212      2.104102       3.720080      27.23845 7.557535 17.21580 6.961457 10.02265       10.27513 
1 1 1 11 2  44 o 26.55716 5.025667 8.664365       2.735332      9.656199       4.189075      7.679617       3.518172      27.91442 7.387164 25.19991 6.816093 2.714510       10.05133 
1 1 1 11 2  45 o 25.50575 4.716264 8.161365       2.611353      5.282216       3.967330      11.03768       3.397735      20.47296 7.459259 30.53854 5.773391 -10.06558      9.432528 
1 1 1 11 3  0  o 668.7842 9.872316 4483.083       131.9846      4483.083       131.9846      4483.083       131.9846      668.7842 9.872316 668.7842 9.872316 0.000000       0.000000 
1 1 1 11 3  1  o 398.5474 4.355299 1590.474       34.72122      1582.681       48.94693      1598.267       49.24448      397.5713 6.155743 399.5235 6.162902 -1.952209      8.710599 
1 1 1 11 3  2  o 110.2684 2.380038 121.7120       5.248919      117.3905       7.374983      125.9627       7.467082      108.3252 3.404094 112.2117 3.327231 -3.886459      4.760076 
1 1 1 11 3  3  o 331.2535 3.736362 1098.100       24.76039      1078.264       34.50869      1118.645       35.50760      328.2105 5.257097 334.2966 5.310794 -6.086060      7.472724 
1 1 1 11 3  4  o 234.8871 2.933043 552.0256       13.77939      555.4262       19.67370      548.6959       19.29823      235.6021 4.175198 234.1722 4.120520 1.429886       5.866086 
1 1 1 11 3  5  o 710.7261 7.407806 5071.098       105.2759      5125.649       150.6169      5016.547       147.2163      714.5323 10.53954 706.9200 10.41251 7.612305       14.81561 
1 1 1 11 3  6  o 409.3778 4.058498 1678.322       33.16971      1711.620       42.94635      1644.317       50.56220      413.5253 5.192711 405.2303 6.238699 8.294983       8.116996 
1 1 1 11 3  7  o 68.95891 2.331728 47.61504       3.214246      50.66139       4.626898      44.57578       4.463954      71.16471 3.250838 66.75310 3.343631 4.411613       4.663455 
1 1 1 11 3  8  o 78.30573 2.204832 61.58572       3.444493      69.48495       5.015130      53.69356       4.723957      83.34665 3.008598 73.26480 3.223892 10.08185       4.409664 
1 1 1 11 3  9  o 489.5564 4.268892 2399.526       41.80574      2350.643       58.00803      2447.701       60.21840      484.6087 5.985039 494.5041 6.088767 -9.895447      8.537785 
1 1 1 11 3  10 o 316.0425 2.953252 999.6255       18.68187      959.9522       25.50426      1039.299       27.30373      309.7703 4.116641 322.3148 4.235569 -12.54449      5.906503 
1 1 1 11 3  11 f 276.7975 2.685528 766.5449       14.87040      745.2913       20.53802      787.7984       21.51568      272.9602 3.762090 280.6348 3.833395 -7.674561      5.371056 
1 1 1 11 3  12 o 282.1363 2.548199 796.2998       14.40283      780.7139       18.53310      811.8857       22.04702      279.3807 3.316818 284.8919 3.869366 -5.511169      5.096398 
1 1 1 11 3  13 o 245.9026 2.334631 604.9470       11.50526      591.7698       14.76414      618.0533       17.64045      243.2361 3.034939 248.5690 3.548401 -5.332855      4.669262 
1 1 1 11 3  14 f 237.2740 2.762716 563.4317       13.05677      539.6277       19.84373      587.2357       16.98159      232.2516 4.272033 242.2963 3.504302 -10.04466      5.525432 
1 1 1 11 3  15 o 367.0740 3.549191 1348.184       26.02852      1358.102       30.26506      1338.266       42.34417      368.4573 4.106997 365.6908 5.789613 2.766479       7.098383 
1 1 1 11 3  16 o 519.1098 4.229489 2697.784       43.92401      2687.866       57.27124      2706.994       66.60863      518.2272 5.525689 519.9924 6.404770 -1.765259      8.458979 
1 1 1 11 3  17 o 345.3051 4.571119 0.000000       0.000000      ?              ?             1193.033       31.56861      ?        ?        345.3051 4.571119 ?              ?        
1 1 1 11 3  18 o 459.9443 4.325583 2117.562       39.75831      2127.481       46.29024      2107.644       64.65331      461.0947 5.019602 458.7939 7.046009 2.300842       8.651165 
1 1 1 11 3  19 o 389.8884 3.350231 1521.754       26.20563      1467.204       33.12720      1576.305       40.61554      382.9221 4.325581 396.8547 5.117180 -13.93262      6.700461 
1 1 1 11 3  20 o 545.7603 4.455118 2983.291       48.64230      3000.293       74.10406      2966.288       63.05221      547.2487 6.770602 544.2719 5.792345 2.976807       8.910236 
1 1 1 11 3  21 o 72.14693 3.188116 53.79982       4.196160      34.87708       6.631108      72.75800       5.142652      59.01356 5.618293 85.28029 3.015147 -26.26673      6.376231 
1 1 1 11 3  22 o 246.7076 2.702825 609.4811       13.23388      578.5217       21.09769      640.4404       15.97559      240.4091 4.387874 253.0062 3.157153 -12.59714      5.405650 
1 1 1 11 3  23 o 382.0851 3.709154 1462.953       28.44434      1493.416       47.11205      1432.490       31.89450      385.9298 6.103705 378.2403 4.216169 7.689575       7.418309 
1 1 1 11 3  24 o 79.13068 2.494682 62.96011       3.935450      54.66414       5.421073      71.27025       5.706579      73.88671 3.668503 84.37466 3.381691 -10.48795      4.989363 
1 1 1 11 3  25 o 228.5836 2.280201 523.1208       10.41424      516.6031       15.67095      529.6385       13.72271      227.1407 3.449614 230.0265 2.982855 -2.885757      4.560401 
1 1 1 11 3  26 o 102.8588 2.055873 105.9135       4.230165      106.1261       6.482334      105.7010       5.435950      102.9525 3.148217 102.7652 2.644841 0.1872940      4.111746 
1 1 1 11 3  27 o 172.2677 2.048876 297.3372       7.032801      281.8221       10.47800      312.8523       9.379901      167.7526 3.123052 176.7828 2.652946 -9.030182      4.097753 
1 1 1 11 3  28 o 206.9258 2.044387 429.0384       8.473083      444.3410       12.57502      413.7359       11.35648      210.6057 2.985442 203.2458 2.793780 7.359848       4.088774 
1 1 1 11 3  29 o 77.69398 2.204699 60.70723       3.395609      53.61563       4.950661      67.79884       4.648860      73.12472 3.385080 82.26324 2.825601 -9.138519      4.409398 
1 1 1 11 3  30 o 23.73073 5.168792 5.728541       2.701327      6.453995       4.067930      5.003087       3.556428      25.08178 7.519338 22.37968 7.094026 2.702101       10.33758 
1 1 1 11 3  31 o 147.1277 1.939189 216.9988       5.698786      210.1976       8.303054      223.7999       7.807138      144.8064 2.866950 149.4491 2.611973 -4.642654      3.878377 
1 1 1 11 3  32 o 91.74597 2.436972 85.01421       4.356270      72.12038       6.829475      97.90804       5.409738      84.67649 4.032687 98.81545 2.737293 -14.13896      4.873945 
1 1 1 11 3  33 o 111.6125 2.265236 125.1834       5.099436      132.9055       8.267632      117.4613       5.968707      115.0021 3.594558 108.2230 2.757596 6.779099       4.530473 
1 1 1 11 3  34 o 174.2663 2.333993 305.0593       8.133026      305.3427       12.87965      304.7759       9.939578      174.2478 3.695787 174.2847 2.851535 -0.3695679E-01 4.667986 
1 1 1 11 3  35 o 88.10577 2.944761 78.42561       5.214205      81.33026       8.380984      75.52096       6.201787      89.62538 4.675564 86.58617 3.581280 3.039207       5.889522 
1 1 1 11 3  36 o 74.15562 3.021356 55.64889       4.420739      51.29191       7.047678      60.00587       5.339601      71.11465 4.955153 77.19661 3.458443 -6.081963      6.042712 
1 1 1 11 3  37 o 82.74756 2.785488 69.22282       4.612021      69.53455       7.396237      68.91111       5.507504      82.80582 4.466012 82.68929 3.330240 0.1165314      5.570976 
1 1 1 11 3  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 3  39 o 68.11572 3.194219 47.38834       4.331474      46.60905       7.127024      48.16764       4.926574      67.28847 5.295874 68.94296 3.572935 -1.654495      6.388438 
1 1 1 11 3  40 o 89.31943 2.755371 81.54280       4.963413      86.43112       8.168448      76.65448       5.643527      91.71804 4.453022 86.92081 3.246361 4.797234       5.510741 
1 1 1 11 3  41 f 74.29210 4.830451 59.35409       6.793344      53.39601       12.29872      65.31925       5.775299      68.62771 8.960464 79.95648 3.611527 -11.32877      9.660903 
1 1 1 11 3  42 o 21.80628 6.365363 3.689617       4.813930      4.131691       8.706873      3.247543       4.116105      24.29845 10.30635 19.31411 7.473328 4.984339       12.73073 
1 1 1 11 3  43 o 57.86222 4.212772 36.78990       4.951370      40.60846       8.969000      32.97843       4.200410      59.33794 7.557559 56.38650 3.724660 2.951439       8.425544 
1 1 1 11 3  44 o 70.60248 3.797654 54.99711       5.097310      49.17363       8.855647      60.82059       5.053387      64.74651 6.838707 76.45845 3.304662 -11.71194      7.595308 
1 1 1 11 3  45 o 75.48901 3.178302 62.52795       4.597852      58.01512       8.147196      67.04079       4.264880      70.50213 5.777978 80.47590 2.649787 -9.973770      6.356603 
1 1 1 11 4  0  o 585.8913 8.722562 3439.533       102.1587      3439.533       102.1587      3439.533       102.1587      585.8913 8.722562 585.8913 8.722562 -0.000000      0.000000 
1 1 1 11 4  1  o 366.8161 4.073788 1346.767       29.88958      1338.266       42.05370      1355.977       42.47877      365.6111 5.751152 368.0210 5.771242 -2.409912      8.147575 
1 1 1 11 4  2  o 92.25671 2.495621 85.22675       4.602811      80.12590       6.416448      90.32761       6.599937      89.49279 3.584897 95.02063 3.472897 -5.527840      4.991242 
1 1 1 11 4  3  o 189.8953 2.651681 361.0270       10.07418      343.5991       13.85023      378.3841       14.63661      185.3184 3.736875 194.4722 3.763165 -9.153778      5.303361 
1 1 1 11 4  4  o 168.6457 2.523636 284.5851       8.508506      281.6096       12.09327      287.4897       11.97992      167.7737 3.604043 169.5177 3.533530 -1.744064      5.047272 
1 1 1 11 4  5  o 174.4285 2.359984 304.9885       8.324308      331.5555       13.53851      278.3507       9.698705      182.0430 3.718494 166.8140 2.907042 15.22896       4.719967 
1 1 1 11 4  6  f 353.3889 3.233815 1249.709       22.85465      1256.793       32.59587      1242.624       32.05036      354.3893 4.598879 352.3886 4.547587 2.000641       6.467630 
1 1 1 11 4  7  o 82.86555 2.528282 69.20157       4.265588      81.18858       6.953454      57.24290       4.942868      90.08432 3.859414 75.64677 3.267071 14.43755       5.056563 
1 1 1 11 4  8  o 416.6908 3.464711 1737.832       28.85524      1749.876       38.08637      1725.080       43.37142      418.1962 4.553648 415.1855 5.223138 3.010742       6.929421 
1 1 1 11 4  9  o 146.0469 2.030782 213.5274       5.939660      227.3422       8.770633      199.7834       8.012589      150.7630 2.908748 141.3308 2.834694 9.432236       4.061564 
1 1 1 11 4  10 o 622.6088 4.992898 3880.899       62.23749      3820.680       80.12590      3941.117       95.28677      617.8314 6.484447 627.3861 7.593949 -9.554688      9.985795 
1 1 1 11 4  11 o 261.1119 2.424836 682.0265       12.65295      691.6614       16.84698      672.3207       18.88024      262.9672 3.203248 259.2566 3.641226 3.710571       4.849672 
1 1 1 11 4  12 f 295.6804 2.641841 874.2295       15.60719      887.6901       20.76472      861.4774       23.30806      297.9019 3.485162 293.4589 3.971265 4.442963       5.283682 
1 1 1 11 4  13 o 547.4459 4.426229 2999.585       48.42268      3032.882       64.17156      2966.996       72.54546      550.4867 5.828620 544.4050 6.662821 6.081665       8.852457 
1 1 1 11 4  14 o 361.8732 3.100588 1310.636       22.49334      1275.922       28.67104      1344.641       34.65746      357.1396 4.013983 366.6068 4.726789 -9.467285      6.201177 
1 1 1 11 4  15 o 171.4624 2.417337 294.1492       8.324308      282.7431       10.18045      305.6261       13.17720      168.1318 3.027521 174.7929 3.769375 -6.661102      4.834673 
1 1 1 11 4  16 o 286.4777 2.804786 821.0956       16.06769      831.7224       23.01760      810.4688       22.43667      288.3308 3.991526 284.6246 3.941449 3.706177       5.609572 
1 1 1 11 4  17 o 389.4049 3.751037 1517.504       29.18113      1508.294       47.36709      1526.714       34.10487      388.1765 6.101231 390.6334 4.365330 -2.456848      7.502074 
1 1 1 11 4  18 o 180.6579 4.154839 0.000000       0.000000      ?              ?             326.5254       15.01209      ?        ?        180.6579 4.154839 ?              ?        
1 1 1 11 4  19 o 164.8081 2.399055 271.7621       7.913406      271.9038       12.76630      271.5496       9.337394      164.8518 3.872055 164.7644 2.833559 0.8732605E-01  4.798110 
1 1 1 11 4  20 o 373.7106 5.257567 1400.609       39.07111      1348.892       62.61296      1451.618       46.74364      366.7181 8.536936 380.7032 6.139121 -13.98508      10.51513 
1 1 1 11 4  21 o 383.3458 4.845739 1472.871       37.30707      1494.833       67.17540      1450.909       32.47543      385.9458 8.702698 380.7457 4.264714 5.200165       9.691478 
1 1 1 11 4  22 o 516.4498 6.103436 2677.239       63.06638      2687.866       115.4068      2667.321       50.90935      516.7663 11.16625 516.1334 4.931802 0.6329346      12.20687 
1 1 1 11 4  23 o 129.9166 3.092323 169.3200       8.246379      182.0013       15.40883      156.5679       5.895027      134.7336 5.718258 125.0996 2.356134 9.633972       6.184646 
1 1 1 11 4  24 o 212.8899 2.653801 454.0468       11.20062      435.1311       18.56144      472.9624       12.55377      208.3928 4.453473 217.3870 2.887423 -8.994156      5.307601 
1 1 1 11 4  25 o 403.9190 3.944646 1637.232       31.85908      1636.524       52.54587      1637.941       36.03186      403.5759 6.510036 404.2621 4.456498 -0.6861877     7.889293 
1 1 1 11 4  26 o 237.7253 2.785956 566.2655       13.20554      558.4017       22.06119      574.2002       14.52326      235.9694 4.674587 239.4812 3.032233 -3.511887      5.571912 
1 1 1 11 4  27 o 159.3378 2.511135 254.8301       7.842561      232.5847       13.09219      277.1463       8.643111      152.2865 4.298539 166.3890 2.597260 -14.10251      5.022270 
1 1 1 11 4  28 o 168.4602 2.654145 284.5851       8.933578      283.8766       14.63661      285.3644       10.25838      168.1552 4.352115 168.7651 3.039248 -0.6099396     5.308289 
1 1 1 11 4  29 o 151.6828 2.543624 231.2387       7.885069      250.7211       13.94233      211.6854       7.360813      157.9808 4.412666 145.3847 2.531495 12.59610       5.087248 
1 1 1 11 4  30 o 43.40848 5.086947 19.49659       4.373273      21.18271       7.892153      17.81048       3.765421      44.73180 9.137575 42.08516 4.473573 2.646633       10.17389 
1 1 1 11 4  31 o 134.9799 2.687506 183.1348       7.127024      171.6579       12.34123      194.6117       7.141194      130.5908 4.725152 139.3690 2.561973 -8.778214      5.375013 
1 1 1 11 4  32 o 122.0221 2.799865 149.7667       6.886859      154.3716       12.27038      145.1618       6.257754      123.7059 4.959500 120.3383 2.600067 3.367531       5.599730 
1 1 1 11 4  33 o 132.6327 2.876634 177.2546       7.481250      165.7069       13.08510      188.7316       7.261631      128.0739 5.108419 137.1914 2.646532 -9.117523      5.753267 
1 1 1 11 4  34 o 192.4574 2.969354 373.2832       11.35648      365.9862       19.68787      380.5095       11.34231      190.2062 5.175403 194.7087 2.912637 -4.502502      5.938708 
1 1 1 11 4  35 o 122.6305 2.779694 154.0174       6.446203      115.7610       10.22296      192.2738       7.849646      106.9098 4.781115 138.3513 2.836854 -31.44146      5.559388 
1 1 1 11 4  36 o 179.7610 2.398946 325.3919       8.650196      331.8388       14.11236      318.9450       10.00334      181.3491 3.890938 178.1729 2.807200 3.176193       4.797893 
1 1 1 11 4  37 o 235.5590 2.582041 560.2437       12.15703      559.7477       19.29114      560.6688       14.80664      235.1689 4.101551 235.9491 3.137678 -0.7801514     5.164082 
1 1 1 11 4  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 4  39 o 31.08960 6.141190 10.90307       4.092726      12.78047       6.981084      9.018591       4.272672      33.53629 9.798517 28.64291 7.405803 4.893383       12.28238 
1 1 1 11 4  40 o 36.45354 5.705176 15.03335       4.162154      16.32981       7.098687      13.73688       4.350603      37.33532 9.484660 35.57177 6.343293 1.763550       11.41035 
1 1 1 11 4  41 o 45.89861 5.779521 24.73205       4.802595      16.39357       8.140111      33.07053       5.100852      35.54754 10.63265 56.24968 4.534117 -20.70214      11.55904 
1 1 1 11 4  42 o 41.99010 5.304945 21.04810       4.105478      9.549930       6.502170      32.54628       5.013005      28.14880 9.613270 55.83140 4.489414 -27.68259      10.60989 
1 1 1 11 4  43 o 80.90556 2.263296 67.45170       3.685366      72.26208       5.786633      62.62714       4.563846      83.60706 3.460613 78.20405 2.917909 5.403015       4.526592 
1 1 1 11 4  44 o 28.79716 5.712574 10.98809       3.508253      7.495420       4.222373      14.48784       5.603145      24.32601 7.731639 33.26833 8.411644 -8.942320      11.42515 
1 1 1 11 5  0  o 349.7599 5.552090 1224.913       38.81607      1224.913       38.81607      1224.913       38.81607      349.7599 5.552090 349.7599 5.552090 -0.000000      0.000000 
1 1 1 11 5  1  o 146.9500 2.890214 216.0069       8.494337      216.0069       8.494337      ?              ?             146.9500 2.890214 ?        ?        ?              ?        
1 1 1 11 5  2  o 134.2138 2.021017 180.2301       5.425323      185.8977       7.828392      174.5625       7.516674      136.3244 2.871237 132.1032 2.845001 4.221237       4.042033 
1 1 1 11 5  3  o 143.2716 2.281935 205.3093       6.543260      206.5845       10.19462      204.1050       8.203872      143.6987 3.547222 142.8446 2.871607 0.8540955      4.563870 
1 1 1 11 5  4  o 349.7241 3.211133 1224.205       22.47209      1260.336       32.67379      1188.074       30.86016      354.8827 4.603465 344.5656 4.478127 10.31714       6.422266 
1 1 1 11 5  5  o 592.1848 5.092514 3513.212       60.32467      3536.591       85.93520      3489.125       84.65999      594.1812 7.231398 590.1885 7.172284 3.992615       10.18503 
1 1 1 11 5  6  o 290.1013 2.790120 842.3492       16.18812      838.0985       22.89008      845.8914       22.89716      289.4298 3.954340 290.7729 3.937294 -1.343079      5.580241 
1 1 1 11 5  7  o 291.9191 2.813425 852.2675       16.42900      836.6816       22.95384      868.5620       23.50643      289.1904 3.968637 294.6478 3.988903 -5.457367      5.626849 
1 1 1 11 5  8  o 111.1096 2.371927 123.7665       5.214913      112.7855       7.998421      134.6767       6.693452      106.1813 3.766397 116.0380 2.884165 -9.856651      4.743854 
1 1 1 11 5  9  o 366.0059 3.554447 1340.391       25.99310      1332.598       42.39376      1348.184       30.08795      364.9063 5.808855 367.1055 4.097998 -2.199158      7.108895 
1 1 1 11 5  10 o 142.4530 1.942649 202.9714       5.540093      205.9469       8.437660      199.9959       7.183701      143.4956 2.940041 141.4104 2.540018 2.085175       3.885297 
1 1 1 11 5  11 o 561.0867 4.537312 3151.194       50.90226      3144.818       76.86702      3156.861       66.77158      560.5169 6.856798 561.6564 5.944167 -1.139465      9.074624 
1 1 1 11 5  12 o 819.9158 6.493349 6735.960       106.4803      6723.208       160.7477      6748.712       139.6358      819.0245 9.813364 820.8071 8.506008 -1.782654      12.98670 
1 1 1 11 5  13 o 356.5225 3.068225 1271.671       21.89116      1283.715       33.37516      1259.627       28.34516      358.1989 4.658748 354.8461 3.994007 3.352722       6.136450 
1 1 1 11 5  14 o 712.1970 6.416967 5081.016       91.24860      5035.675       147.9956      5126.357       106.8345      708.8224 10.43954 715.5715 7.464980 -6.749023      12.83393 
1 1 1 11 5  15 o 57.46045 3.598946 0.000000       0.000000      ?              ?             33.02802       4.135942      ?        ?        57.46045 3.598946 ?              ?        
1 1 1 11 5  16 o 498.5101 4.616260 2488.083       45.84391      2429.990       73.60814      2546.884       54.71373      492.5623 7.471963 504.4579 5.423023 -11.89557      9.232519 
1 1 1 11 5  17 o 659.6613 7.778086 4364.771       102.5838      4364.771       183.4890      4365.480       91.67366      659.0158 13.92144 660.3068 6.941748 -1.290955      15.55617 
1 1 1 11 5  18 o 520.1322 5.097762 2709.828       53.02053      2706.994       81.82619      2711.953       67.45878      519.8187 7.870646 520.4457 6.480867 -0.6270142     10.19552 
1 1 1 11 5  19 o 145.7091 3.240588 0.000000       0.000000      ?              ?             212.3938       9.443663      ?        ?        145.7091 3.240588 ?              ?        
1 1 1 11 5  20 o 174.4251 2.786271 304.4926       9.727042      294.6451       13.20554      314.4109       14.28947      171.5968 3.847840 177.2535 4.030802 -5.656662      5.572543 
1 1 1 11 5  21 o 391.7044 3.963379 1536.632       31.02311      1523.171       47.62921      1550.093       39.76540      389.9344 6.107337 393.4745 5.053110 -3.540161      7.926758 
1 1 1 11 5  22 o 538.7646 4.709502 2909.611       50.73223      2930.156       72.47462      2889.775       71.05771      540.6252 6.702852 536.9042 6.617356 3.721008       9.419003 
1 1 1 11 5  23 o 104.6038 2.976907 110.5185       5.985709      90.25676       9.649114      130.7802       7.083809      94.89634 5.084028 114.3112 3.098476 -19.41484      5.953814 
1 1 1 11 5  24 f 374.9242 3.740614 1409.819       28.13970      1436.032       47.05537      1383.606       30.88850      378.2062 6.220862 371.6422 4.155677 6.563965       7.481228 
1 1 1 11 5  25 o 259.5318 2.930217 675.0128       15.15378      661.9774       25.12878      687.9775       16.93200      256.9302 4.890197 262.1334 3.229653 -5.203247      5.860434 
1 1 1 11 5  26 o 248.8259 2.856022 621.1705       14.03443      578.8051       22.81923      663.6068       16.33690      240.2202 4.749650 257.4317 3.173055 -17.21155      5.712044 
1 1 1 11 5  27 o 68.55540 3.416445 47.18289       4.659488      46.53820       8.437660      47.82758       3.957411      68.00062 6.204106 69.11018 2.863118 -1.109558      6.832890 
1 1 1 11 5  28 o 162.7366 2.517879 265.8111       8.331393      281.7513       14.91999      249.8709       7.424574      167.4946 4.453873 157.9785 2.349869 9.516113       5.035759 
1 1 1 11 5  29 f 172.1736 2.535699 297.3372       8.721042      296.6996       15.33090      297.9748       8.324308      171.8463 4.460642 172.5009 2.412830 -0.6545868     5.071398 
1 1 1 11 5  30 o 78.22301 3.376512 61.86910       5.022923      53.32516       9.046929      70.41302       4.371856      72.61625 6.229274 83.82978 2.607579 -11.21353      6.753023 
1 1 1 11 5  31 f 134.8076 2.700260 182.5680       7.169532      174.1374       12.80172      191.0694       6.461789      131.4996 4.867592 138.1158 2.339266 -6.616196      5.400520 
1 1 1 11 5  32 o 56.49663 4.459842 32.36916       4.923739      30.62637       9.061099      34.11195       3.858937      54.69783 8.282867 58.29543 3.309811 -3.597595      8.919683 
1 1 1 11 5  33 o 215.8372 2.839673 468.9951       12.11453      449.3710       21.03393      488.6192       12.00826      210.9497 4.985534 220.7247 2.720189 -9.775009      5.679347 
1 1 1 11 5  34 o 148.1350 3.232120 221.6037       9.606606      225.1460       17.60503      218.0614       7.693786      148.8357 5.914249 147.4344 2.609224 1.401276       6.464240 
1 1 1 11 5  35 o 106.3647 3.771141 114.9109       7.877984      110.2351       14.38157      119.5867       6.451162      103.6347 6.938592 109.0947 2.956681 -5.460022      7.542282 
1 1 1 11 5  36 o 135.3055 3.198718 185.4018       8.543928      177.6797       14.84915      193.1948       8.451830      132.0137 5.624094 138.5973 3.049059 -6.583633      6.397437 
1 1 1 11 5  37 o 94.24020 2.815804 90.61098       5.085267      73.60814       8.218040      107.6138       5.987834      85.06365 4.830524 103.4168 2.895002 -18.35311      5.631608 
1 1 1 11 5  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 5  39 o 35.25132 5.593632 13.45350       4.010545      11.80989       6.876941      15.10419       4.129566      32.27266 9.797174 38.22998 5.400951 -5.957325      11.18726 
1 1 1 11 5  40 o 24.37793 5.230734 6.229416       3.133482      11.22188       4.763630      1.236957       4.072889      31.53496 7.625608 17.22091 7.161872 14.31405       10.46147 
1 1 1 11 5  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 5  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 5  43 o 48.02460 3.687616 25.00835       3.597518      27.43125       6.475249      22.59253       3.137733      49.29697 6.567594 46.75224 3.355703 2.544724       7.375231 
1 1 1 11 5  44 o 47.65933 3.631373 24.98001       3.384274      24.98709       6.167781      24.96584       2.789175      46.11938 6.686756 49.19928 2.834569 -3.079891      7.262746 
1 1 1 11 6  0  f 80.94139 2.838241 65.76557       4.582266      65.76557       4.582266      65.76557       4.582266      80.94139 2.838241 80.94139 2.838241 -0.000000      0.000000 
1 1 1 11 6  1  o 340.9286 2.731563 1163.278       18.62520      1161.861       26.31898      1163.986       26.36149      340.7729 3.861660 341.0844 3.864365 -0.3114319     5.463125 
1 1 1 11 6  2  o 117.5611 1.921486 138.2189       4.510713      135.5268       6.815306      140.9819       5.911322      116.3989 2.927563 118.7232 2.489539 -2.324287      3.842972 
1 1 1 11 6  3  o 363.6099 3.741705 1324.096       27.36749      1386.440       43.81066      1261.753       32.81549      372.1345 5.886401 355.0852 4.620790 17.04926       7.483409 
1 1 1 11 6  4  o 589.2457 5.212857 3478.498       61.44402      3482.040       104.0007      3474.248       65.43969      589.3546 8.823273 589.1368 5.553862 0.2177124      10.42571 
1 1 1 11 6  5  o 112.1428 2.269974 125.8210       5.066138      122.4913       8.324308      129.1508       5.777424      110.6522 3.761475 113.6334 2.542132 -2.981255      4.539948 
1 1 1 11 6  6  f 68.38661 2.849935 47.06245       3.769672      39.89292       6.151486      54.23198       4.358396      63.13988 4.871317 73.63335 2.959526 -10.49347      5.699870 
1 1 1 11 6  7  f 584.4604 5.339678 3421.114       62.26582      3371.522       100.8127      3470.706       73.11222      580.0856 8.689466 588.8354 6.208206 -8.749817      10.67936 
1 1 1 11 6  8  o 317.3295 3.206099 1008.127       20.48134      1042.841       34.17571      972.7043       22.57127      322.8246 5.293232 311.8343 3.619113 10.99036       6.412199 
1 1 1 11 6  9  o 428.7839 4.065417 1839.849       34.85583      1837.015       56.97369      1842.683       40.16213      428.4028 6.649547 429.1649 4.679102 -0.7621460     8.130835 
1 1 1 11 6  10 o 236.0503 2.653774 557.4807       12.47583      543.3116       20.26172      571.5789       14.55868      233.0459 4.347152 239.0547 3.045052 -6.008820      5.307549 
1 1 1 11 6  11 o 310.2886 4.048082 963.4944       25.07211      957.8268       44.79541      969.1620       22.54293      309.3086 7.241217 311.2686 3.621139 -1.959991      8.096164 
1 1 1 11 6  12 o 320.6631 3.219317 1029.380       20.75764      1061.261       34.45910      996.7917       23.16637      325.6582 5.290685 315.6679 3.669422 9.990234       6.438633 
1 1 1 11 6  13 o 84.07650 2.424565 70.69640       4.089183      72.19124       6.587184      69.23699       4.846519      84.95177 3.877014 83.20123 2.912528 1.750549       4.849130 
1 1 1 11 6  14 o 233.2003 3.004814 544.0201       14.02026      538.9193       19.46117      549.1918       20.17671      232.1007 4.192398 234.2999 4.305745 -2.199127      6.009629 
1 1 1 11 6  15 o 261.4366 2.940005 683.7976       15.38757      689.3235       23.79690      678.3426       19.50368      262.4742 4.533188 260.3990 3.744961 2.075226       5.880010 
1 1 1 11 6  16 o 220.8657 2.745200 488.1233       12.10036      473.6000       18.19304      502.6465       15.95433      217.5720 4.180924 224.1594 3.558704 -6.587357      5.490400 
1 1 1 11 6  17 o 752.7540 6.423628 5678.241       96.70367      5646.361       136.0936      5710.830       137.4397      750.6209 9.065401 754.8872 9.103323 -4.266296      12.84726 
1 1 1 11 6  18 o 373.4702 3.906421 1396.359       29.25198      1427.530       46.11312      1365.187       36.00352      377.5984 6.106107 369.3420 4.874008 8.256378       7.812842 
1 1 1 11 6  19 o 243.5962 3.176348 593.8951       15.47259      595.2411       22.36582      592.4782       21.39524      243.8754 4.585501 243.3169 4.396581 0.5585785      6.352696 
1 1 1 11 6  20 o 362.8586 3.375160 1318.429       24.49118      1304.260       34.48743      1331.889       34.79207      360.9567 4.777226 364.7606 4.769166 -3.803864      6.750320 
1 1 1 11 6  21 o 333.1612 3.174529 1111.561       21.15437      1084.640       29.54952      1137.774       30.27923      329.1781 4.488380 337.1443 4.490544 -7.966248      6.349059 
1 1 1 11 6  22 o 648.1039 5.223795 4215.288       67.65715      4148.694       101.0252      4281.883       89.97337      642.8362 7.857774 653.3717 6.885314 -10.53552      10.44759 
1 1 1 11 6  23 o 307.6543 3.336863 949.3254       20.44592      906.1099       30.95226      991.8326       26.72989      300.6419 5.147696 314.6667 4.247334 -14.02478      6.673726 
1 1 1 11 6  24 o 210.4263 2.276596 443.2783       9.571183      434.9894       14.45242      451.6380       12.53960      208.4323 3.466934 212.4204 2.951598 -3.988190      4.553193 
1 1 1 11 6  25 o 95.04729 2.840596 90.54014       5.345269      87.56464       9.528677      93.51564       4.841560      93.42804 5.099473 96.66654 2.504258 -3.238503      5.681192 
1 1 1 11 6  26 o 417.7818 3.947954 1752.710       32.87925      1731.456       55.73391      1774.672       34.91250      414.8011 6.718149 420.7626 4.148717 -5.961517      7.895909 
1 1 1 11 6  27 o 184.2096 2.598403 340.1277       9.585353      342.0405       16.91783      338.2857       9.011506      184.5935 4.582455 183.8257 2.451101 0.7677917      5.196806 
1 1 1 11 6  28 o 85.84932 2.993445 74.03321       5.221998      77.92970       9.507423      70.17923       4.318722      87.98843 5.402656 83.71021 2.579567 4.278221       5.986890 
1 1 1 11 6  29 o 94.57301 2.945699 89.90253       5.698077      96.34944       10.47800      83.52647       4.483083      97.81960 5.355778 91.32642 2.454428 6.493179       5.891398 
1 1 1 11 6  30 o 115.4772 2.890294 134.1808       6.522716      125.2543       11.76030      143.0364       5.646361      111.4559 5.275764 119.4985 2.362523 -8.042625      5.780588 
1 1 1 11 6  31 o 118.7051 2.835074 141.6195       6.709038      140.7694       12.17120      142.4697       5.655571      118.1548 5.150531 119.2553 2.371202 -1.100525      5.670147 
1 1 1 11 6  32 o 152.6706 2.760710 234.2850       8.437660      235.6311       15.18921      232.9389       7.346645      152.8671 4.968108 152.4740 2.409146 0.3930817      5.521420 
1 1 1 11 6  33 o 245.4781 3.018721 606.9306       14.85623      614.5111       26.24105      599.3502       13.93525      246.5287 5.322109 244.4274 2.850590 2.101303       6.037442 
1 1 1 11 6  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 6  35 o 70.69135 4.638781 51.12896       6.491544      50.77474       12.27747      51.47610       4.231582      69.80549 8.794058 71.57721 2.955956 -1.771721      9.277561 
1 1 1 11 6  36 o 170.6028 2.921667 294.2909       9.975000      297.1955       18.37016      291.3154       7.792970      170.8123 5.377294 170.3933 2.286760 0.4190063      5.843335 
1 1 1 11 6  37 o 27.19228 6.444452 4.522757       5.665489      0.3326890      10.76847      8.713958       3.525256      25.84057 11.22080 28.54399 6.341724 -2.703415      12.88890 
1 1 1 11 6  38 o 100.1456 3.678458 103.4340       7.630026      115.3360       14.33198      91.53197       5.229791      104.9769 6.826253 95.31438 2.743443 9.662544       7.356915 
1 1 1 11 6  39 o 89.10414 4.213378 82.67632       7.084518      74.03321       13.37557      91.31944       4.686408      82.98014 8.059501 95.22815 2.460621 -12.24801      8.426756 
1 1 1 11 6  40 o 136.3833 3.114531 191.5654       8.451830      192.6989       15.59302      190.5027       6.514922      135.3467 5.760400 137.4199 2.370444 -2.073181      6.229062 
1 1 1 11 6  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 6  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 6  43 o 19.90108 5.761599 3.296426       3.738500      3.004544       6.097645      3.589017       4.327223      20.39037 8.635598 19.41179 7.629582 0.9785824      11.52320 
1 1 1 11 6  44 o 48.25568 4.334502 26.91408       3.833432      21.94784       6.119606      31.88033       4.618397      41.98327 7.564219 54.52808 4.234880 -12.54480      8.669003 
1 1 1 11 7  0  o 844.4045 8.748640 7141.194       147.7122      7141.194       147.7122      7141.194       147.7122      844.4045 8.748640 844.4045 8.748640 0.000000       0.000000 
1 1 1 11 7  1  o 400.3173 3.384318 1603.935       27.14787      1642.191       41.81991      1565.678       34.63621      405.0684 5.162080 395.5663 4.378054 9.502106       6.768636 
1 1 1 11 7  2  o 520.8510 4.068258 2716.204       42.47168      2761.545       67.99720      2670.155       50.91643      525.1617 6.473930 516.5402 4.928603 8.621521       8.136517 
1 1 1 11 7  3  o 548.1428 4.245316 3008.086       46.46027      2955.661       72.54546      3060.512       58.01512      543.2956 6.676426 552.9900 5.245585 -9.694397      8.490632 
1 1 1 11 7  4  o 455.7462 3.605892 2078.598       32.85799      2073.638       51.90826      2083.557       40.29673      455.1599 5.702200 456.3323 4.415284 -1.172394      7.211784 
1 1 1 11 7  5  o 499.9955 4.474980 2502.960       44.53328      2446.992       74.45828      2558.928       48.89734      494.2923 7.531808 505.6988 4.834630 -11.40656      8.949960 
1 1 1 11 7  6  o 157.2777 2.239892 247.3914       7.053346      248.5957       12.05077      246.2578       7.332476      157.6402 3.822237 156.9153 2.336444 0.7249603      4.479784 
1 1 1 11 7  7  o 432.9673 3.971029 1875.980       34.38825      1877.397       58.25599      1874.563       36.56320      433.0620 6.726057 432.8726 4.223320 0.1893616      7.942058 
1 1 1 11 7  8  o 279.6965 3.665666 782.8392       20.35382      765.8364       36.93159      799.8421       17.13745      276.6060 6.675848 282.7871 3.030097 -6.181122      7.331333 
1 1 1 11 7  9  o 265.6967 3.640944 706.3265       19.34782      706.6807       34.58662      705.9722       17.35707      265.7208 6.508076 265.6727 3.266626 0.4806519E-01  7.281889 
1 1 1 11 7  10 o 251.5715 3.563942 633.7809       18.26389      671.0455       33.29015      596.5164       15.04043      258.9309 6.428386 244.2120 3.079380 14.71884       7.127883 
1 1 1 11 7  11 o 427.7340 5.272107 1832.056       45.47552      1883.065       82.18040      1781.756       38.97194      433.4690 9.479387 421.9990 4.617538 11.46994       10.54421 
1 1 1 11 7  12 o 271.2673 3.818552 736.0814       20.60178      719.7870       35.39425      753.0842       21.09061      268.1566 6.599548 274.3781 3.843349 -6.221405      7.637105 
1 1 1 11 7  13 o 310.6147 4.253953 966.3282       26.82907      1020.879       47.55837      911.7775       24.84540      319.3264 7.446670 301.9030 4.114800 17.42346       8.507906 
1 1 1 11 7  14 o 68.02473 3.695470 46.65864       4.935075      38.61062       7.261631      54.69956       6.687785      62.10991 5.845790 73.93954 4.522469 -11.82962      7.390940 
1 1 1 11 7  15 o 496.4730 4.379139 2467.538       43.48477      2454.785       61.29525      2480.290       61.69198      495.1905 6.189058 497.7556 6.197015 -2.565094      8.758278 
1 1 1 11 7  16 o 366.9176 3.432736 1347.475       25.19254      1338.974       35.61387      1355.268       35.63512      365.8075 4.867844 368.0278 4.841364 -2.220306      6.865472 
1 1 1 11 7  17 o 43.08873 5.924187 19.70913       4.965539      10.95267       6.859938      28.47268       7.183701      32.85170 9.747544 53.32576 6.735677 -20.47406      11.84837 
1 1 1 11 7  18 o 493.3567 4.650980 2437.782       45.88642      2437.074       75.02505      2438.491       52.85050      493.1561 7.606622 493.5573 5.354039 -0.4011841     9.301959 
1 1 1 11 7  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 7  20 o 285.7702 2.686607 816.8449       15.35923      817.5534       23.29390      816.8449       20.01376      285.8176 4.074958 285.7228 3.502304 0.9478760E-01  5.373213 
1 1 1 11 7  21 o 75.43314 2.849306 56.96661       4.313763      58.71648       6.832309      55.20965       5.268756      76.58725 4.460474 74.27901 3.546598 2.308235       5.698613 
1 1 1 11 7  22 o 152.2299 2.140160 231.8763       6.506421      228.7591       9.946663      235.0643       8.395153      151.1855 3.289556 153.2743 2.738605 -2.088760      4.280320 
1 1 1 11 7  23 o 196.9705 2.247413 388.4441       8.827310      374.7001       13.28347      402.2589       11.63278      193.4598 3.433135 200.4811 2.901216 -7.021301      4.494826 
1 1 1 11 7  24 f 216.3572 2.323529 468.6408       10.06001      473.8834       15.51509      463.4692       12.82298      217.5363 3.566093 215.1781 2.979620 2.358170       4.647058 
1 1 1 11 7  25 o 337.1734 3.010628 1139.190       20.27589      1122.188       30.49885      1156.902       26.73697      334.5487 4.558208 339.7981 3.934244 -5.249359      6.021256 
1 1 1 11 7  26 o 98.18233 2.991160 96.63282       5.908488      98.89986       10.42841      94.43663       5.557096      99.24518 5.253863 97.11948 2.860958 2.125694       5.982320 
1 1 1 11 7  27 o 218.5159 2.719268 478.8426       11.86657      477.0714       20.70096      480.6845       11.61152      217.9375 4.749289 219.0942 2.649893 -1.156677      5.438536 
1 1 1 11 7  28 o 194.0145 2.667313 377.6756       10.37173      381.7138       18.34890      373.6375       9.691620      194.8733 4.707905 193.1557 2.508759 1.717590       5.334627 
1 1 1 11 7  29 f 96.78060 3.130661 94.43663       5.812139      83.45561       10.49217      105.4176       5.003087      90.96640 5.767058 102.5948 2.438275 -11.62840      6.261321 
1 1 1 11 7  30 o 108.0357 3.017299 118.0989       6.784134      137.0146       12.12869      99.25409       6.087018      116.5838 5.201708 99.48761 3.059184 17.09615       6.034598 
1 1 1 11 7  31 o 103.1172 3.129864 107.1888       6.275465      98.97072       11.40607      115.4068       5.232625      98.91701 5.765476 107.3173 2.437922 -8.400299      6.259727 
1 1 1 11 7  32 o 130.3403 2.172529 0.000000       0.000000      ?              ?             170.1701       5.663363      ?        ?        130.3403 2.172529 ?              ?        
1 1 1 11 7  33 o 123.2941 3.247718 153.3798       7.807138      144.3116       14.54451      162.4480       5.698077      119.2588 6.097879 127.3295 2.237533 -8.070694      6.495436 
1 1 1 11 7  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 7  35 o 21.61444 6.556154 -0.5573390     5.976499      -3.718663      11.42733      2.603560       3.506128      24.77641 11.11116 18.45247 6.962378 6.323946       13.11231 
1 1 1 11 7  36 o 45.13685 6.636486 21.60069       6.046636      15.45842       11.49109      27.75006       3.760462      37.82113 12.77976 52.45257 3.584631 -14.63144      13.27297 
1 1 1 11 7  37 o 46.99767 5.465611 27.20455       6.115356      45.68806       11.72488      8.713958       3.479915      65.46559 8.954992 28.52975 6.268949 36.93584       10.93122 
1 1 1 11 7  38 o 43.01064 6.718478 19.95709       6.117482      16.22355       11.65403      23.69063       3.732832      37.69148 12.87004 48.32980 3.861834 -10.63832      13.43696 
1 1 1 11 7  39 o 161.1371 2.993207 265.1027       9.585353      264.1108       17.73255      266.0237       7.268716      159.6482 5.553632 162.6259 2.234796 -2.977707      5.986413 
1 1 1 11 7  40 o 52.63850 6.436770 31.54736       5.975791      22.97509       11.30689      40.12671       3.880191      42.37629 12.49859 62.90071 3.084378 -20.52442      12.87354 
1 1 1 11 7  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 7  42 o 55.85419 5.425035 35.90434       5.477749      32.95009       9.897071      38.85858       4.703412      50.55595 10.14569 61.15244 3.845645 -10.59649      10.85007 
1 1 1 11 7  43 o 27.67079 6.673639 10.51342       4.755128      13.21263       8.543928      7.814223       4.180574      30.10188 10.94856 25.23969 7.634058 4.862190       13.34728 
1 1 1 11 7  44 o 16.26357 5.228374 -0.4733166     3.922698      -1.645025      6.859938      0.6984625      3.807220      17.31389 8.078608 15.21325 6.639254 2.100636       10.45675 
1 1 1 11 8  0  o 76.94782 3.086337 59.50287       4.733166      59.50287       4.733166      59.50287       4.733166      76.94782 3.086337 76.94782 3.086337 0.000000       0.000000 
1 1 1 11 8  1  o 265.8053 2.485914 707.3182       13.18429      674.6586       19.21321      739.6237       18.06552      259.6923 3.699227 271.9183 3.321866 -12.22604      4.971828 
1 1 1 11 8  2  o 393.6536 3.091383 1550.801       24.33532      1545.842       34.33157      1555.052       34.50869      393.0692 4.367115 394.2380 4.376632 -1.168732      6.182766 
1 1 1 11 8  3  o 565.8262 4.244765 3204.327       48.04012      3185.199       67.55088      3224.164       68.31601      564.1076 5.987411 567.5447 6.018557 -3.437134      8.489530 
1 1 1 11 8  4  o 281.8223 2.501220 794.8829       14.12653      805.5097       22.55711      783.5477       17.00284      283.7582 3.974705 279.8865 3.037453 3.871735       5.002440 
1 1 1 11 8  5  o 141.0216 2.199097 198.9332       6.179117      195.3201       10.34340      202.5464       6.762880      139.7341 3.701100 142.3092 2.376123 -2.575104      4.398193 
1 1 1 11 8  6  o 292.6037 3.013799 856.5182       17.64045      856.5182       28.76314      856.5182       20.41758      292.5840 4.915364 292.6234 3.488714 -0.3933716E-01 6.027597 
1 1 1 11 8  7  o 816.8538 7.354936 6687.785       120.2951      6746.586       197.5872      6628.983       137.3688      820.1295 12.04610 813.5780 8.442264 6.551453       14.70987 
1 1 1 11 8  8  o 186.7656 2.387105 349.0542       8.976085      362.1606       14.92708      335.8770       9.975000      190.2755 3.922490 183.2557 2.721607 7.019806       4.774209 
1 1 1 11 8  9  o 58.28164 3.986981 34.03402       4.544718      31.58987       8.069265      36.47818       4.183408      56.17386 7.182403 60.38942 3.463693 -4.215557      7.973962 
1 1 1 11 8  10 o 278.7424 3.781893 777.8801       21.13312      784.2562       37.95176      770.7955       18.61811      279.8904 6.779753 277.5944 3.353475 2.296082       7.563785 
1 1 1 11 8  11 o 434.3721 4.140157 1888.732       35.88308      1862.520       58.35517      1914.237       41.77740      431.3401 6.764405 437.4041 4.775607 -6.064026      8.280313 
1 1 1 11 8  12 o 265.8665 2.903625 707.2474       15.39466      695.9122       25.22797      718.3701       17.65462      263.7389 4.782754 267.9941 3.293844 -4.255219      5.807249 
1 1 1 11 8  13 o 323.6172 3.209737 1047.800       20.77181      1046.383       35.32341      1049.217       21.84865      323.3625 5.461890 323.8719 3.373039 -0.5093994     6.419473 
1 1 1 11 8  14 o 230.5935 2.669961 531.9764       12.27038      524.1835       20.91350      539.7693       12.84423      228.8828 4.568604 232.3042 2.764528 -3.421448      5.339921 
1 1 1 11 8  15 o 345.5478 3.435451 1194.450       23.78273      1203.660       40.68639      1185.948       24.63287      346.7784 5.866338 344.3171 3.577062 2.461365       6.870902 
1 1 1 11 8  16 o 524.5819 4.789756 2755.169       50.28591      2760.837       85.43929      2749.501       52.99219      524.9821 8.137352 524.1817 5.054754 0.8004150      9.579512 
1 1 1 11 8  17 o 221.1059 2.675522 489.2568       11.83823      472.0414       16.34398      506.4721       17.12328      217.2152 3.762163 224.9965 3.805233 -7.781281      5.351044 
1 1 1 11 8  18 o 257.5766 2.581316 663.9609       13.33306      684.5770       20.68679      643.3451       16.83282      261.5649 3.954428 253.5883 3.318926 7.976593       5.162632 
1 1 1 11 8  19 o 264.1039 2.584147 697.9667       13.66603      707.8850       20.89224      688.0483       17.61920      265.9681 3.927584 262.2397 3.359368 3.728424       5.168295 
1 1 1 11 8  20 o 320.9852 2.906521 1031.506       18.66770      1035.048       28.40891      1027.255       24.21488      321.5717 4.417198 320.3988 3.778866 1.172821       5.813043 
1 1 1 11 8  21 o 349.6093 3.295729 1223.496       23.04594      1216.412       32.64546      1231.289       32.53210      348.5446 4.683110 350.6739 4.638513 -2.129272      6.591458 
1 1 1 11 8  22 o 159.0778 2.327513 253.3424       7.367898      244.6284       11.66820      262.1272       9.004422      156.3083 3.732431 161.8472 2.781766 -5.538910      4.655026 
1 1 1 11 8  23 o 99.72818 2.290148 99.67917       4.540468      92.87803       6.807514      106.4803       6.010505      96.31180 3.534101 103.1446 2.913632 -6.832764      4.580297 
1 1 1 11 8  24 o 41.33154 3.966736 17.15162       3.267380      16.34398       4.886192      17.96634       4.337850      40.34129 6.056068 42.32178 5.124843 -1.980495      7.933472 
1 1 1 11 8  25 f 113.0680 2.202180 128.1589       4.949953      119.3741       7.410406      136.9437       6.566639      109.1745 3.393834 116.9614 2.807182 -7.786888      4.404359 
1 1 1 11 8  26 o 229.8112 2.619824 529.2843       12.02951      525.9546       19.36907      532.6849       14.26822      229.0029 4.229002 230.6196 3.093453 -1.616684      5.239648 
1 1 1 11 8  27 f 236.1691 2.442590 559.3935       11.50526      536.8647       17.20829      581.9223       15.26714      231.3640 3.718879 240.9741 3.167796 -9.610107      4.885180 
1 1 1 11 8  28 o 261.1243 2.980226 684.7186       15.50801      677.0674       26.89283      692.3699       15.46550      259.3867 5.183925 262.8619 2.941755 -3.475128      5.960453 
1 1 1 11 8  29 o 26.36346 6.509648 6.308763       4.745210      7.233293       8.891070      5.381400       3.309887      29.84272 11.12287 22.88420 6.766382 6.958521       13.01930 
1 1 1 11 8  30 f 163.4509 2.724295 268.3615       8.905238      268.7866       15.98976      267.8656       7.835476      163.3736 4.893617 163.5282 2.395757 -0.1546173     5.448591 
1 1 1 11 8  31 o 78.18057 3.540303 62.23749       5.870231      73.60814       10.95975      50.84558       4.208204      85.16629 6.434323 71.19485 2.955413 13.97144       7.080606 
1 1 1 11 8  32 o 165.6017 2.807111 275.9420       9.266549      274.1708       16.98159      277.6422       7.410406      164.7368 5.154157 166.4666 2.225794 -1.729767      5.614223 
1 1 1 11 8  33 o 31.21289 6.742727 8.104689       5.885109      5.266631       11.17229      10.93850       3.699536      30.08533 12.10588 32.34046 5.941815 -2.255133      13.48545 
1 1 1 11 8  34 o 153.4349 3.303004 238.3940       10.21588      245.6202       19.10695      231.2387       7.233293      155.0504 6.161529 151.8194 2.382202 3.230911       6.606007 
1 1 1 11 8  35 o 143.3996 3.094283 207.9306       8.919409      212.2522       16.62736      203.6090       6.443369      144.3171 5.760705 142.4822 2.261114 1.834915       6.188567 
1 1 1 11 8  36 o 70.19732 4.418103 50.94477       6.500045      58.18514       12.36957      43.69731       3.989292      74.50187 8.301516 65.89277 3.027109 8.609100       8.836206 
1 1 1 11 8  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 8  38 o 105.6548 3.668387 114.6275       7.594603      111.0144       14.32489      118.1698       5.026465      102.8952 6.960915 108.4144 2.318172 -5.519226      7.336774 
1 1 1 11 8  39 o 46.48326 6.387286 24.72497       6.239335      30.39258       12.00826      19.05735       3.392067      49.73913 12.15713 43.22739 3.923516 6.511742       12.77457 
1 1 1 11 8  40 o 107.6335 3.588262 120.0826       7.509589      115.0526       14.13361      125.1126       5.072515      103.8311 6.806057 111.4359 2.275979 -7.604752      7.176524 
1 1 1 11 8  41 f 35.34480 7.072031 16.51401       6.006254      17.49876       11.02351      15.52218       4.780632      33.92871 12.42681 36.76089 6.754918 -2.832176      14.14406 
1 1 1 11 8  42 o 51.33372 5.583536 30.49885       5.287176      29.25906       9.642029      31.74572       4.344935      47.39672 10.45246 55.27073 3.930593 -7.874016      11.16707 
1 1 1 11 8  43 o 82.98666 3.487478 74.45828       5.692410      74.10406       10.16628      74.88335       5.120689      80.75207 6.294752 85.22124 3.004350 -4.469177      6.974957 
1 1 1 11 8  44 o 23.29009 6.041168 7.438744       4.130982      8.551013       7.495420      6.331434       3.478498      24.20579 9.845313 22.37439 7.003762 1.831396       12.08234 
1 1 1 11 9  0  o 78.11631 3.173320 61.33067       4.940034      61.33067       4.940034      61.33067       4.940034      78.11631 3.173320 78.11631 3.173320 -0.000000      0.000000 
1 1 1 11 9  1  o 486.3665 4.286551 2367.646       41.69947      2374.022       59.02112      2361.270       58.91484      487.0215 6.059395 485.7114 6.064800 1.310150       8.573102 
1 1 1 11 9  2  o 396.5468 3.602578 1573.471       28.57186      1569.929       40.21881      1577.014       40.59429      396.1013 5.076835 396.9922 5.112731 -0.8909607     7.205156 
1 1 1 11 9  3  o 366.7805 3.385415 1346.058       24.83832      1327.639       34.60078      1364.478       35.64221      364.2724 4.749300 369.2887 4.825793 -5.016235      6.770830 
1 1 1 11 9  4  o 724.0176 6.178640 5251.044       89.47746      5201.453       125.2543      5300.636       127.8047      720.6053 8.690907 727.4300 8.784674 -6.824707      12.35728 
1 1 1 11 9  5  o 455.0790 4.046654 2072.221       36.83949      2035.382       51.17147      2109.770       53.00636      450.9980 5.673137 459.1599 5.772102 -8.161896      8.093308 
1 1 1 11 9  6  o 176.0006 2.241914 309.8768       7.892153      314.2692       11.08019      305.4136       11.23604      177.2587 3.125427 174.7424 3.215031 2.516312       4.483829 
1 1 1 11 9  7  f 318.7309 2.859198 1015.920       18.20721      1003.168       27.40292      1029.380       23.98818      316.6678 4.326760 320.7939 3.738877 -4.126099      5.718396 
1 1 1 11 9  8  o 111.3578 2.146167 124.1916       4.809679      133.1181       7.523758      115.2651       5.992794      115.3633 3.260897 107.3524 2.791179 8.010933       4.292334 
1 1 1 11 9  9  o 499.9227 3.936135 2501.543       39.29782      2473.205       61.74865      2529.173       48.63522      497.0798 6.211142 502.7656 4.836769 -5.685822      7.872269 
1 1 1 11 9  10 o 68.84137 2.727618 47.41668       3.764004      48.72023       5.805762      46.11312       4.792676      69.78589 4.159697 67.89685 3.529380 1.889038       5.455236 
1 1 1 11 9  11 f 424.8826 3.434112 1805.844       29.22364      1827.097       46.67989      1785.299       35.18171      427.3132 5.462022 422.4519 4.163990 4.861328       6.868224 
1 1 1 11 9  12 o 154.9958 2.436909 240.3068       7.566265      242.1488       13.13470      238.4649       7.523758      155.5791 4.221228 154.4124 2.436254 1.166687       4.873817 
1 1 1 11 9  13 o 436.6135 4.201453 1907.861       36.71906      1917.779       60.40969      1898.651       41.75615      437.6322 6.901879 435.5947 4.793005 2.037445       8.402905 
1 1 1 11 9  14 o 643.0209 13.62321 0.000000       0.000000      ?              ?             4155.778       175.2001      ?        ?        643.0209 13.62321 ?              ?        
1 1 1 11 9  15 o 406.4770 3.887366 1653.526       31.57570      1647.151       53.62271      1659.903       33.34683      405.6228 6.609924 407.3311 4.093331 -1.708313      7.774732 
1 1 1 11 9  16 o 122.2296 3.228442 149.4833       7.948828      153.3798       14.20446      145.6577       7.148279      123.7862 5.737496 120.6730 2.961838 3.113167       6.456883 
1 1 1 11 9  17 f 525.6580 4.813590 2767.921       50.68264      2791.300       86.43112      2744.542       52.99928      527.6783 8.189754 523.6377 5.060682 4.040649       9.627179 
1 1 1 11 9  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 9  19 o 410.9185 3.981674 1691.074       32.68088      1678.322       53.27557      1703.827       37.85966      409.2664 6.508667 412.5705 4.588266 -3.304047      7.963349 
1 1 1 11 9  20 o 128.3407 2.292542 165.2818       5.760421      146.8620       9.294888      183.7724       6.806805      121.1407 3.836401 135.5407 2.510983 -14.39993      4.585085 
1 1 1 11 9  21 o 203.3872 2.289448 413.9484       9.316141      414.0901       14.30364      413.8775       11.93033      203.3992 3.516151 203.3752 2.933084 0.2397156E-01  4.578897 
1 1 1 11 9  22 o 355.5468 3.517622 1267.420       24.90208      1231.289       39.73706      1303.551       30.03835      350.3501 5.671051 360.7435 4.163395 -10.39337      7.035245 
1 1 1 11 9  23 o 179.3687 2.241529 322.2039       8.012589      309.5226       12.06493      334.8851       10.55593      175.8208 3.431031 182.9165 2.885451 -7.095642      4.483057 
1 1 1 11 9  24 o 392.1907 3.407733 1543.008       26.75822      1563.553       41.05478      1521.754       34.33157      394.7547 5.200037 389.6267 4.405701 5.127991       6.815467 
1 1 1 11 9  25 o 71.94829 3.987024 52.32625       5.444452      43.93110       9.557014      60.72141       5.216331      66.03482 7.236344 77.86176 3.349738 -11.82694      7.974047 
1 1 1 11 9  26 o 235.9618 2.447782 557.9766       11.55485      560.8104       17.71129      555.2137       14.84915      236.5093 3.744313 235.4143 3.153834 1.095032       4.895564 
1 1 1 11 9  27 o 246.6934 2.518558 610.3312       12.41916      606.0805       18.91566      614.5819       16.09602      245.7752 3.848164 247.6116 3.250257 -1.836365      5.037116 
1 1 1 11 9  28 o 235.0759 2.451992 554.2219       11.53359      559.3227       17.80339      549.1210       14.67912      236.0958 3.770375 234.0560 3.135814 2.039764       4.903984 
1 1 1 11 9  29 o 119.8030 2.998931 144.4533       7.039177      134.3933       12.29164      154.5133       6.860647      115.4432 5.323672 124.1627 2.762764 -8.719490      5.997862 
1 1 1 11 9  30 o 237.7971 2.950712 568.5326       14.03443      570.6579       24.73205      566.3363       13.28347      237.9005 5.197983 237.6937 2.794241 0.2067719      5.901424 
1 1 1 11 9  31 o 21.45885 6.424270 0.7707956      5.283633      -0.5718623     9.967916      2.113312       3.505419      25.06954 10.83946 17.84816 6.898635 7.221384       12.84854 
1 1 1 11 9  32 o 81.54623 3.965773 67.37376       6.280425      63.03804       11.79572      71.69532       4.312346      78.52773 7.510547 84.56474 2.549731 -6.037018      7.931547 
1 1 1 11 9  33 o 175.2056 3.116294 310.6561       11.28564      341.6154       21.13312      279.7676       7.934660      183.3744 5.762287 167.0368 2.375124 16.33760       6.232589 
1 1 1 11 9  34 o 65.92551 5.277707 44.93710       7.176617      49.42868       13.72271      40.43843       4.193326      68.44918 10.02401 63.40182 3.306945 5.047356       10.55541 
1 1 1 11 9  35 o 135.0107 3.152014 184.5517       8.565183      189.3692       16.01101      179.7342       6.091268      136.1696 5.879067 133.8517 2.275379 2.317902       6.304029 
1 1 1 11 9  36 o 92.99945 3.676069 88.34394       7.006588      95.28677       13.25513      81.47195       4.534800      95.94668 6.907551 90.05222 2.517873 5.894463       7.352139 
1 1 1 11 9  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 9  38 o 87.17917 4.135702 78.99238       7.247461      82.25125       13.85023      75.66265       4.252836      87.66702 7.899341 86.69133 2.452861 0.9756851      8.271403 
1 1 1 11 9  39 o 70.57124 5.028575 53.36768       6.624024      48.31641       12.65295      58.41185       3.931199      65.09138 9.719375 76.05112 2.584577 -10.95974      10.05715 
1 1 1 11 9  40 o 47.32993 6.968321 27.33207       6.765006      21.35274       12.94341      33.31141       3.946076      37.70751 13.49919 56.95235 3.464367 -19.24484      13.93664 
1 1 1 11 9  41 o 46.56404 6.354704 25.82307       5.592519      18.02301       10.01042      33.62312       4.985375      36.31677 11.92801 56.81132 4.387661 -20.49455      12.70941 
1 1 1 11 9  42 f 26.49047 6.527551 8.352647       4.896819      8.586436       8.954830      8.118857       3.965205      26.83038 10.82073 26.15056 7.303941 0.6798191      13.05510 
1 1 1 11 9  43 o 52.20813 5.522300 33.04219       4.998836      27.54460       9.054014      38.53978       4.239376      43.70486 10.47823 60.71139 3.491417 -17.00653      11.04460 
1 1 1 11 9  44 o 13.72679 4.639189 -4.538342      4.029674      -8.218040      7.382068      -0.8565182     3.232665      14.81079 7.273575 12.64279 5.760505 2.168002       9.278378 
1 1 1 11 10 0  o 359.7616 5.802747 1295.758       41.72781      1295.758       41.72781      1295.758       41.72781      359.7616 5.802747 359.7616 5.802747 0.000000       0.000000 
1 1 1 11 10 1  o 253.5843 3.235490 643.4868       16.41483      623.7918       22.59961      663.1817       23.81815      249.7039 4.525281 257.4647 4.625518 -7.760712      6.470980 
1 1 1 11 10 2  o 197.5993 2.881728 390.6403       11.39190      381.8555       15.82681      399.4251       16.38649      195.3777 4.050313 199.8210 4.100291 -4.443390      5.763456 
1 1 1 11 10 3  o 351.3892 3.689124 1235.540       25.97184      1258.210       40.66513      1212.870       32.33374      354.5927 5.734062 348.1856 4.643176 6.407135       7.378249 
1 1 1 11 10 4  o 493.1683 4.078519 2433.532       40.19755      2403.069       60.21840      2464.704       53.25432      490.0236 6.144438 496.3131 5.364993 -6.289459      8.157038 
1 1 1 11 10 5  o 273.2838 2.409068 747.4167       13.17012      735.3730       18.39849      758.7519       18.84482      271.1458 3.392730 275.4217 3.421085 -4.275848      4.818137 
1 1 1 11 10 6  o 130.0727 2.128675 169.3200       5.559929      177.4672       8.586436      161.1728       7.061847      133.2020 3.223089 126.9433 2.781496 6.258652       4.257349 
1 1 1 11 10 7  o 492.4620 3.770901 2426.448       37.14413      2429.281       52.57421      2424.322       52.47503      492.7134 5.335171 492.2105 5.330547 0.5028687      7.541802 
1 1 1 11 10 8  o 40.25948 4.203674 17.22955       3.113646      24.29281       4.494419      10.16628       4.310221      49.27517 4.560530 31.24379 7.062937 18.03139       8.407349 
1 1 1 11 10 9  o 558.2980 4.362175 3119.313       48.74148      3141.275       77.57547      3098.060       59.06362      560.1697 6.924284 556.4264 5.307407 3.743286       8.724349 
1 1 1 11 10 10 o 929.1025 7.034965 8650.196       130.8510      8721.042       208.2140      8579.351       158.5515      932.6609 11.16236 925.5441 8.565313 7.116821       14.06993 
1 1 1 11 10 11 o 304.7729 2.686000 929.4888       16.30148      895.4830       25.33423      963.4944       20.52385      299.1834 4.233897 310.3623 3.306433 -11.17889      5.372000 
1 1 1 11 10 12 o 539.5623 4.240444 2914.571       45.78015      2927.323       72.75800      2901.110       55.59929      540.7055 6.728062 538.4190 5.163200 2.286499       8.480887 
1 1 1 11 10 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 10 14 o 142.5626 3.095686 203.3965       8.869816      210.0560       14.43825      196.7370       10.30797      144.8866 4.982601 140.2385 3.675157 4.648102       6.191373 
1 1 1 11 10 15 o 320.7333 3.375710 1029.380       21.60778      1019.462       36.83241      1039.299       22.59253      319.1407 5.770560 322.3259 3.504610 -3.185211      6.751419 
1 1 1 11 10 16 o 488.6849 4.675172 2391.733       45.52511      2337.891       73.67899      2446.284       53.48102      483.0245 7.626838 494.3454 5.409277 -11.32092      9.350345 
1 1 1 11 10 17 o 109.9304 3.035865 120.9327       6.612689      117.0362       11.58319      124.9001       6.388818      108.1205 5.356610 111.7402 2.858782 -3.619698      6.071730 
1 1 1 11 10 18 o 68.84021 3.693043 48.42977       5.418948      62.01787       9.741212      34.83458       4.754420      78.68175 6.190262 58.99868 4.029260 19.68307       7.386086 
1 1 1 11 10 19 o 350.4354 4.622280 1231.289       32.00077      1188.074       58.36226      1273.796       26.25522      344.0850 8.480792 356.7857 3.679410 -12.70078      9.244560 
1 1 1 11 10 20 o 211.8705 2.779578 449.4418       11.69654      434.3517       19.52493      464.5319       12.87965      208.2702 4.687403 215.4707 2.988724 -7.200516      5.559156 
1 1 1 11 10 21 o 289.1962 3.009995 837.3900       17.44917      845.8914       29.76206      829.5971       18.20721      290.4959 5.122629 287.8965 3.162111 2.599457       6.019989 
1 1 1 11 10 22 f 149.1983 2.092736 222.8081       6.234376      220.1868       9.989170      225.4293       7.459997      148.3010 3.367871 150.0957 2.485081 -1.794724      4.185472 
1 1 1 11 10 23 o 181.3194 2.169993 329.1467       7.849646      323.9750       12.59627      334.3184       9.372816      179.8649 3.501592 182.7739 2.564046 -2.909012      4.339987 
1 1 1 11 10 24 o 371.5173 3.134429 1383.606       23.23013      1356.685       36.52069      1411.236       28.72064      367.7333 4.965649 375.3012 3.826345 -7.567932      6.268858 
1 1 1 11 10 25 o 241.4957 2.815181 584.8978       13.49601      559.3227       21.73530      610.5438       16.01101      236.1048 4.602892 246.8867 3.242583 -10.78185      5.630361 
1 1 1 11 10 26 o 107.5296 2.277164 116.1152       4.932241      126.6712       7.729208      105.5593       6.132358      112.4115 3.437907 102.6478 2.987088 9.763756       4.554328 
1 1 1 11 10 27 o 226.7794 2.444862 515.7529       11.07310      508.5267       16.88241      522.9791       14.33906      225.1349 3.749398 228.4239 3.138696 -3.289032      4.889724 
1 1 1 11 10 28 o 69.18649 2.751354 48.11096       3.788092      44.95126       5.620148      51.27065       5.081016      66.88919 4.201088 71.48379 3.553964 -4.594597      5.502708 
1 1 1 11 10 29 o 125.9490 2.206296 159.1891       5.583308      167.0529       8.763549      151.3253       6.923699      129.0283 3.395981 122.8696 2.817498 6.158615       4.412593 
1 1 1 11 10 30 o 107.6843 3.264050 116.8945       7.112856      122.1371       12.76630      111.6520       6.281133      109.8670 5.809887 105.5017 2.976794 4.365372       6.528100 
1 1 1 11 10 31 o 100.4700 3.538228 102.0879       6.840102      92.02789       12.56085      112.0771       5.413280      95.19674 6.597311 105.7433 2.559633 -10.54652      7.076457 
1 1 1 11 10 32 o 199.6949 2.934511 401.5504       11.61152      391.8447       21.03393      411.1854       9.840395      196.8479 5.342686 202.5420 2.429224 -5.694077      5.869022 
1 1 1 11 10 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 10 34 o 173.3454 3.078906 303.6424       10.55593      296.2745       19.42575      310.9395       8.267632      170.6211 5.692657 176.0696 2.347831 -5.448471      6.157812 
1 1 1 11 10 35 o 211.4821 2.995491 452.4882       12.64586      453.2675       23.03177      451.7797       10.44258      210.8365 5.461997 212.1277 2.461390 -1.291168      5.990981 
1 1 1 11 10 36 o 110.3692 3.404654 124.2624       7.707955      134.2516       14.54451      114.3441       5.097310      114.0471 6.376539 106.6912 2.388814 7.355865       6.809309 
1 1 1 11 10 37 o 28.48933 6.671831 5.585434       6.169907      1.660611       11.80281      9.507423       3.605311      27.23354 11.78532 29.74512 6.257761 -2.511583      13.34366 
1 1 1 11 10 38 o 98.45076 3.979252 100.3876       7.530843      93.94070       14.29656      106.9054       4.740959      93.82155 7.619016 103.0800 2.299651 -9.258423      7.958505 
1 1 1 11 10 39 o 33.56097 7.134605 16.66279       6.324349      30.18713       12.18537      3.145526       3.397735      48.46569 12.49478 18.65623 6.891356 29.80946       14.26921 
1 1 1 11 10 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 10 41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 10 42 o 101.4695 2.824185 0.000000       0.000000      ?              ?             105.4885       5.731375      ?        ?        101.4695 2.824185 ?              ?        
1 1 1 11 10 43 o 21.04947 6.120692 5.740584       4.386024      8.876901       8.097604      2.603560       3.378607      25.19730 10.23834 16.90164 6.710285 8.295660       12.24138 
1 1 1 11 11 0  f 369.9189 4.856792 1369.437       35.91851      1369.437       35.91851      1369.437       35.91851      369.9189 4.856792 369.9189 4.856792 -0.000000      0.000000 
1 1 1 11 11 1  f 343.6694 3.260731 1181.698       22.41541      1160.444       31.36316      1202.951       32.02911      340.5789 4.604391 346.7600 4.618339 -6.181183      6.521462 
1 1 1 11 11 2  o 560.2556 4.886514 3141.984       54.77041      3151.902       77.78800      3132.065       77.07955      561.1382 6.931270 559.3730 6.889817 1.765259       9.773028 
1 1 1 11 11 3  o 99.20191 2.474645 98.47480       4.908862      97.27043       7.046970      99.60831       6.835143      98.61234 3.573067 99.79148 3.424713 -1.179138      4.949289 
1 1 1 11 11 4  o 315.3626 3.076930 995.3747       19.41158      979.0804       27.24706      1010.961       27.64379      312.8363 4.354843 317.8889 4.348027 -5.052612      6.153860 
1 1 1 11 11 5  o 503.7908 4.457187 2540.508       44.90876      2515.004       63.00970      2566.012       64.01571      501.2633 6.285090 506.3183 6.321686 -5.054962      8.914374 
1 1 1 11 11 6  o 194.9837 2.297419 380.4386       8.933578      365.1360       13.29056      395.7411       11.94450      191.0570 3.478166 198.9104 3.002481 -7.853470      4.594838 
1 1 1 11 11 7  o 304.4690 2.824441 927.3634       17.20829      931.6141       26.15604      923.1127       22.35874      305.1582 4.285652 303.7798 3.680090 1.378479       5.648883 
1 1 1 11 11 8  o 376.2324 3.284109 1416.195       24.73205      1431.073       37.80299      1401.318       31.90158      378.1950 4.997817 374.2697 4.261845 3.925354       6.568218 
1 1 1 11 11 9  o 108.7445 2.360216 118.3115       5.146194      122.0662       7.941744      114.5566       6.548929      110.4685 3.594575 107.0205 3.059660 3.447952       4.720433 
1 1 1 11 11 10 o 157.2333 2.062961 247.2497       6.485876      244.1325       9.117774      250.4377       9.231127      156.2310 2.918042 158.2357 2.916892 -2.004654      4.125922 
1 1 1 11 11 11 o 97.46796 2.674697 95.07423       5.219164      95.42845       8.784801      94.64915       5.634317      97.65962 4.497663 97.27629 2.896038 0.3833313      5.349394 
1 1 1 11 11 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 11 13 o 220.5768 2.537331 486.7772       11.16520      472.1831       16.76197      501.4422       14.76414      217.2560 3.857654 223.8976 3.297073 -6.641602      5.074661 
1 1 1 11 11 14 o 882.8672 6.720603 7814.223       118.4531      7729.209       185.9686      7899.238       146.9329      877.7982 10.59290 887.9363 8.273842 -10.13818      13.44121 
1 1 1 11 11 15 o 138.6830 3.009649 192.4863       8.409323      197.7997       14.84915      187.1729       7.899237      140.5743 5.281601 136.7917 2.887324 3.782639       6.019298 
1 1 1 11 11 16 o 61.74596 4.048573 38.17138       4.998836      38.30599       6.939993      38.04386       7.197870      61.85355 5.610020 61.63838 5.838789 0.2151680      8.097147 
1 1 1 11 11 17 o 254.2337 2.602034 647.1707       13.30472      680.3262       21.01976      614.0151       16.30856      260.7348 4.030870 247.7326 3.291565 13.00224       5.204067 
1 1 1 11 11 18 o 224.3109 2.808600 503.5675       12.54668      494.7827       21.58652      512.3524       12.78755      222.3127 4.854991 226.3091 2.825241 -3.996414      5.617199 
1 1 1 11 11 19 o 206.4384 2.782038 426.9839       11.68946      454.5426       20.76472      399.4251       10.73304      213.0603 4.872968 199.8164 2.685726 13.24390       5.564076 
1 1 1 11 11 20 o 130.7925 2.791102 171.3036       7.367898      177.3963       12.87257      165.2818       7.162447      133.0637 4.836996 128.5214 2.786481 4.542297       5.582204 
1 1 1 11 11 21 o 218.2695 2.776596 477.1423       12.12869      478.8426       21.06227      475.4420       12.03660      218.5746 4.818097 217.9644 2.761138 0.6102448      5.553192 
1 1 1 11 11 22 o 79.23376 3.563306 63.10888       5.796553      69.25117       10.35756      56.96661       5.202870      83.04045 6.236458 75.42707 3.448941 7.613380       7.126612 
1 1 1 11 11 23 o 77.20690 2.891745 59.89960       4.560304      66.21191       7.814223      53.59438       4.701995      81.25298 4.808577 73.16083 3.213465 8.092148       5.783491 
1 1 1 11 11 24 o 274.5430 2.585678 755.2096       14.16904      745.2913       22.55711      765.1279       17.15870      272.6669 4.136384 276.4192 3.103747 -3.752228      5.171356 
1 1 1 11 11 25 o 149.7460 2.138429 224.6501       6.402279      224.2250       10.35048      225.0043       7.537927      149.5774 3.459907 149.9146 2.514073 -0.3371887     4.276859 
1 1 1 11 11 26 o 80.41531 2.433157 64.84459       3.904986      63.96611       6.223749      65.71599       4.719706      79.84252 3.897515 80.98810 2.913827 -1.145576      4.866314 
1 1 1 11 11 27 o 187.8133 2.314520 353.8008       8.664365      338.5691       13.03551      369.0325       11.41316      183.7268 3.547527 191.8998 2.973728 -8.173050      4.629039 
1 1 1 11 11 28 o 89.50067 2.452146 80.40928       4.376107      77.64632       6.615522      83.17223       5.731375      87.93475 3.761609 91.06658 3.146805 -3.131828      4.904292 
1 1 1 11 11 29 o 80.49070 2.612672 65.19173       4.163571      58.85109       6.269798      71.55363       5.479167      76.52393 4.096626 84.45747 3.243743 -7.933548      5.225344 
1 1 1 11 11 30 o 88.76952 2.680618 79.20491       4.760796      75.45012       6.560972      83.03055       6.900320      86.64586 3.786085 90.89317 3.795841 -4.247307      5.361236 
1 1 1 11 11 31 o 45.90272 3.902918 21.33857       3.565638      20.04210       5.302053      22.64212       4.770006      44.45791 5.963004 47.34753 5.037228 -2.889626      7.805836 
1 1 1 11 11 32 o 180.2692 3.123181 327.8006       11.36357      339.2067       20.64428      316.4654       9.514507      182.9193 5.643005 177.6192 2.678344 5.300064       6.246362 
1 1 1 11 11 33 o 168.8526 3.355846 288.6941       11.21479      283.0974       20.77889      294.3617       8.444746      166.4297 6.242542 171.2754 2.465253 -4.845718      6.711692 
1 1 1 11 11 34 o 74.42990 4.813608 56.93119       6.842227      51.80199       12.90799      62.05329       4.539051      70.27568 9.183825 78.58411 2.888021 -8.308434      9.627216 
1 1 1 11 11 35 o 151.0511 3.127555 231.3095       9.401155      230.2468       17.43500      232.3013       7.029967      149.9724 5.812738 152.1298 2.310516 -2.157471      6.255110 
1 1 1 11 11 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 11 37 o 28.30367 6.343004 3.878774       6.203912      -2.881274      11.88782      10.64095       3.557136      24.97565 11.26061 31.63170 5.842378 -6.656044      12.68601 
1 1 1 11 11 38 o 58.08138 6.069747 37.10162       6.585768      36.95285       12.63878      37.25039       3.703786      55.48082 11.74963 60.68195 3.051802 -5.201134      12.13949 
1 1 1 11 11 39 o 79.70213 4.382680 67.45878       7.254546      76.79617       13.75813      58.12847       4.600686      83.66268 8.222384 75.74158 3.037094 7.921097       8.765361 
1 1 1 11 11 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 11 41 o 80.19291 4.098950 69.91003       6.147944      58.44019       10.60552      81.40111       6.227999      71.55695 7.410548 88.82887 3.505617 -17.27193      8.197901 
1 1 1 11 11 42 o 30.49304 6.622152 12.34832       5.005920      12.73088       8.983169      11.96575       4.427115      29.42891 11.13252 31.55717 7.174857 -2.128254      13.24430 
1 1 1 11 11 43 o 21.43005 5.327902 1.305677       4.483791      -5.862438      8.182618      8.473083       3.666238      16.79237 8.106091 26.06773 6.916464 -9.275360      10.65580 
1 1 1 11 12 0  o 715.1789 7.505603 5119.981       107.3305      5119.981       107.3305      5119.981       107.3305      715.1789 7.505603 715.1789 7.505603 -0.000000      0.000000 
1 1 1 11 12 1  o 545.4467 4.143454 2977.623       45.19923      2993.917       64.22115      2961.328       63.62605      546.9382 5.870970 543.9551 5.848466 2.983154       8.286907 
1 1 1 11 12 2  o 483.0823 3.728128 2335.766       36.02477      2371.188       51.66030      2299.635       50.22215      486.7807 5.306323 479.3840 5.238196 7.396637       7.456256 
1 1 1 11 12 3  o 414.7173 3.285873 1720.829       27.25414      1730.748       38.70272      1710.911       38.38392      415.9122 4.652751 413.5224 4.641092 2.389771       6.571745 
1 1 1 11 12 4  o 471.2482 3.937475 2222.413       37.09454      2235.874       48.96111      2208.953       55.74099      472.6989 5.178889 469.7975 5.932449 2.901398       7.874950 
1 1 1 11 12 5  o 178.6320 2.419761 319.2284       8.643111      314.8360       12.26330      323.5499       12.18537      177.4123 3.456159 179.8517 3.387617 -2.439377      4.839523 
1 1 1 11 12 6  o 778.5123 6.648675 6072.141       103.5048      6061.514       146.2244      6082.767       146.5787      777.8315 9.399493 779.1931 9.405800 -1.361572      13.29735 
1 1 1 11 12 7  o 633.5330 5.487645 4018.339       69.53455      4019.047       98.47480      4018.339       98.19141      633.5598 7.771548 633.5062 7.749840 0.5358887E-01  10.97529 
1 1 1 11 12 8  o 110.0138 2.556692 121.2161       5.637151      130.7094       8.395153      111.7937       7.523758      114.3104 3.672085 105.7171 3.558439 8.593330       5.113384 
1 1 1 11 12 9  o 617.4884 5.366504 3819.264       66.28983      3779.590       92.94887      3858.229       94.50746      614.3125 7.565276 620.6642 7.613414 -6.351746      10.73301 
1 1 1 11 12 10 o 575.4941 4.717822 3316.263       54.26740      3272.339       81.25941      3360.187       71.90786      571.6337 7.107648 579.3544 6.205861 -7.720703      9.435643 
1 1 1 11 12 11 o 400.6165 3.517899 1606.060       28.21055      1623.771       43.11637      1588.349       36.39317      402.8044 5.352024 398.4286 4.567089 4.375885       7.035798 
1 1 1 11 12 12 o 409.3828 3.837710 1677.614       31.42692      1694.617       45.01502      1659.903       43.86025      411.4987 5.469645 407.2669 5.384706 4.231720       7.675419 
1 1 1 11 12 13 o 405.7471 3.597173 1647.151       29.18113      1641.483       44.24990      1653.526       38.05803      404.9831 5.463179 406.5111 4.681056 -1.528046      7.194346 
1 1 1 11 12 14 f 152.5640 2.953912 233.0098       9.096521      244.7701       15.12545      221.3203       10.09544      156.3889 4.835844 148.7392 3.393672 7.649734       5.907825 
1 1 1 11 12 15 o 141.0670 2.503408 199.2166       7.091603      208.9933       11.03768      189.4400       8.912323      144.5249 3.818608 137.6091 3.238276 6.915833       5.006815 
1 1 1 11 12 16 o 210.4412 2.354020 443.1366       9.925409      450.0086       15.95433      436.1938       11.82406      212.0672 3.761623 208.8152 2.831226 3.251953       4.708041 
1 1 1 11 12 17 o 564.7266 4.440691 3195.118       50.11588      3177.406       79.06322      3212.829       61.61406      563.0302 7.021224 566.4229 5.438874 -3.392761      8.881381 
1 1 1 11 12 18 o 206.3073 2.791975 426.2046       11.66112      445.8287       20.55219      406.5805       11.01642      211.0155 4.869829 201.5990 2.732262 9.416519       5.583949 
1 1 1 11 12 19 o 300.9070 2.723767 906.8183       16.36524      895.4830       25.91516      917.4451       19.99251      299.0411 4.333045 302.7729 3.301568 -3.731842      5.447534 
1 1 1 11 12 20 o 112.9383 2.961808 127.9464       6.556013      119.1616       11.51234      136.6604       6.275465      109.0153 5.280150 116.8614 2.685004 -7.846069      5.923616 
1 1 1 11 12 21 o 231.0691 2.846756 0.000000       0.000000      ?              ?             534.3852       13.15595      ?        ?        231.0691 2.846756 ?              ?        
1 1 1 11 12 22 o 210.1284 2.885235 442.4282       12.10036      438.4608       20.53802      446.3954       12.79464      209.0923 4.911232 211.1645 3.029543 -2.072205      5.770470 
1 1 1 11 12 23 o 151.1270 3.640106 229.6092       10.65512      210.6936       19.68079      248.4540       8.189702      144.7015 6.800477 157.5524 2.599041 -12.85083      7.280213 
1 1 1 11 12 24 o 150.7935 2.922031 228.2632       8.636027      213.0314       15.25297      243.4949       8.090520      145.6297 5.236902 155.9574 2.593823 -10.32774      5.844062 
1 1 1 11 12 25 o 130.1760 2.196917 169.8867       5.751920      175.6252       9.415324      164.0774       6.603478      132.3484 3.557022 128.0036 2.579412 4.344864       4.393833 
1 1 1 11 12 26 o 207.2890 2.304129 430.8095       9.571183      435.8396       15.52218      425.7086       11.19354      208.4291 3.723612 206.1490 2.714915 2.280106       4.608259 
1 1 1 11 12 27 o 31.97507 4.832676 10.62678       3.066179      7.098687       4.817472      14.15487       3.795176      26.45455 8.234504 37.49559 5.060830 -11.04104      9.665353 
1 1 1 11 12 28 f 129.1815 2.185529 167.4072       5.605271      159.5433       8.912323      175.3418       6.803971      126.0765 3.534492 132.2867 2.571677 -6.210190      4.371058 
1 1 1 11 12 29 o 113.5928 2.363087 129.5758       5.375732      131.8429       8.274716      127.2379       6.867023      114.5659 3.611335 112.6197 3.048766 1.946190       4.726174 
1 1 1 11 12 30 o 75.15945 2.877867 56.81783       4.330766      57.70340       6.592852      55.93227       5.617314      75.71420 4.353775 74.60469 3.764719 1.109512       5.755733 
1 1 1 11 12 31 o 65.01756 3.186600 42.76215       4.152236      47.87717       6.222332      37.64713       5.499003      68.91926 4.514219 61.11586 4.498834 7.803394       6.373200 
1 1 1 11 12 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 12 33 o 101.1642 4.004903 104.2841       8.274716      112.5022       14.99793      96.13691       6.985334      104.6174 7.167986 97.71100 3.574487 6.906418       8.009806 
1 1 1 11 12 34 o 140.3006 3.261763 199.5000       9.025676      193.8324       16.74072      205.1676       6.743752      137.6167 6.082371 142.9845 2.358211 -5.367798      6.523526 
1 1 1 11 12 35 o 119.7457 3.525208 146.2244       8.118857      133.6848       15.10419      158.7640       5.968707      113.7554 6.638888 125.7360 2.373507 -11.98056      7.050417 
1 1 1 11 12 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 12 37 f 24.96438 7.060960 4.383191       6.320807      4.174906       12.10036      4.591476       3.661279      28.59536 12.14047 21.33340 7.213706 7.261957       14.12192 
1 1 1 11 12 38 o 61.99217 4.905228 42.62754       6.737377      56.46361       12.90799      28.78440       3.873106      70.86039 9.108045 53.12395 3.645349 17.73644       9.810455 
1 1 1 11 12 39 o 30.37090 5.865340 3.812888       6.812472      -8.168448      13.04260      15.79139       3.935450      22.11557 10.56680 38.62622 5.094273 -16.51064      11.73068 
1 1 1 11 12 40 o 23.76857 6.411853 2.708411       5.346686      -2.874897      9.436578      8.288886       5.023631      20.96010 9.661723 26.57703 8.431994 -5.616934      12.82371 
1 1 1 11 12 41 o 41.75014 6.529345 21.81323       5.660530      23.05302       10.46383      20.57344       4.315179      39.55149 12.10074 43.94879 4.909328 -4.397293      13.05869 
1 1 1 11 12 42 o 44.13806 7.356678 28.43017       7.311223      32.23455       14.05568      24.62578       4.046677      40.18629 14.09895 48.08984 4.207414 -7.903545      14.71336 
1 1 1 11 12 43 o 26.17401 5.195739 2.272005       5.985709      -8.848563      11.39190      13.38974       3.677573      18.06969 8.899848 34.27833 5.364284 -16.20864      10.39148 
1 1 1 11 13 0  o 602.6190 6.426411 3634.358       77.43378      3634.358       77.43378      3634.358       77.43378      602.6190 6.426411 602.6190 6.426411 -0.000000      0.000000 
1 1 1 11 13 1  o 371.8906 3.032151 1383.606       22.55002      1370.146       31.62529      1397.067       32.16371      370.0821 4.272739 373.6991 4.303423 -3.617004      6.064302 
1 1 1 11 13 2  o 281.1364 2.706521 790.6322       15.21046      796.2998       20.18379      784.9646       22.76256      282.1496 3.576789 280.1232 4.062954 2.026398       5.413042 
1 1 1 11 13 3  o 494.5463 3.817228 2446.992       37.76048      2478.873       54.02653      2415.821       52.76549      497.7302 5.427292 491.3625 5.369304 6.367645       7.634456 
1 1 1 11 13 4  o 381.7125 3.097854 1457.285       23.64812      1466.495       33.65146      1448.784       33.24055      382.8715 4.394615 380.5534 4.367397 2.318115       6.195708 
1 1 1 11 13 5  o 329.9786 2.790683 1088.890       18.41975      1098.100       26.26939      1080.389       25.82307      331.3195 3.964360 328.6377 3.928805 2.681793       5.581367 
1 1 1 11 13 6  o 367.0418 3.013855 1347.475       22.12495      1331.181       31.00894      1364.478       31.56861      364.7753 4.250417 369.3083 4.274018 -4.533051      6.027709 
1 1 1 11 13 7  o 254.9702 2.589611 650.5712       13.17720      673.6667       17.83173      627.4049       19.41158      259.5101 3.435653 250.4303 3.875645 9.079727       5.179221 
1 1 1 11 13 8  o 613.2201 4.999666 3765.421       61.33776      3737.792       79.77167      3793.759       93.23225      611.0057 6.527899 615.4344 7.574508 -4.428772      9.999331 
1 1 1 11 13 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 10 o 314.8009 2.991782 991.1240       18.82356      999.6255       24.93750      983.3311       28.21055      316.1040 3.944509 313.4978 4.499322 2.606201       5.983565 
1 1 1 11 13 11 o 332.6118 3.358064 1106.602       22.33748      1110.144       32.01493      1103.768       31.16479      333.0884 4.805771 332.1352 4.691583 0.9532166      6.716129 
1 1 1 11 13 12 o 252.9083 3.357643 640.0862       16.96033      650.0045       22.12495      630.1679       25.71680      254.8816 4.340241 250.9350 5.124196 3.946579       6.715286 
1 1 1 11 13 13 o 263.4732 2.791086 694.6370       14.72871      705.2637       22.55002      683.9393       18.94400      265.4842 4.246961 261.4622 3.622703 4.021942       5.582173 
1 1 1 11 13 14 o 169.8280 2.511048 288.6941       8.494337      274.6667       12.74505      302.7923       11.23604      165.6825 3.846226 173.9736 3.229239 -8.291061      5.022096 
1 1 1 11 13 15 o 269.1762 3.685348 725.4547       19.84373      732.5391       28.46559      718.3701       27.65087      270.4875 5.261907 267.8650 5.161345 2.622467       7.370695 
1 1 1 11 13 16 o 378.7302 3.361742 1436.032       25.43342      1407.694       37.98718      1464.370       33.82149      374.9657 5.065421 382.4947 4.421171 -7.528931      6.723484 
1 1 1 11 13 17 o 223.2694 2.505491 498.8209       11.19354      502.5757       17.13037      495.0661       14.41699      224.0980 3.822071 222.4408 3.240636 1.657150       5.010983 
1 1 1 11 13 18 o 357.0362 3.221522 1276.630       23.03177      1294.341       35.34466      1258.919       29.53536      359.4712 4.916202 354.6012 4.164587 4.869934       6.443045 
1 1 1 11 13 19 o 139.7806 2.370399 195.8869       6.582934      180.6552       9.840395      211.1186       8.742295      134.3236 3.662943 145.2376 3.009653 -10.91399      4.740798 
1 1 1 11 13 20 o 181.1614 3.052231 0.000000       0.000000      ?              ?             328.5091       11.05893      ?        ?        181.1614 3.052231 ?              ?        
1 1 1 11 13 21 f 43.99411 4.145593 19.43991       3.661988      20.01376       5.909905      18.85899       4.327223      44.62369 6.621937 43.36453 4.989358 1.259159       8.291185 
1 1 1 11 13 22 o 184.2420 2.263522 339.9152       8.324308      335.9478       13.29764      343.8825       10.02459      183.1315 3.630625 185.3524 2.704199 -2.220825      4.527044 
1 1 1 11 13 23 o 223.2520 3.742833 501.2296       17.12328      536.5105       32.00785      465.8779       12.16412      230.7913 6.934372 215.7127 2.819518 15.07855       7.485666 
1 1 1 11 13 24 o 126.2788 3.023722 160.0392       7.665448      162.3063       13.75105      157.7722       6.773507      127.0389 5.412140 125.5188 2.698205 1.520157       6.047444 
1 1 1 11 13 25 o 236.8191 3.005843 563.5026       14.03443      533.0391       24.08027      594.0368       14.42408      230.1545 5.231328 243.4836 2.962022 -13.32912      6.011686 
1 1 1 11 13 26 o 61.46326 4.743843 38.19972       5.858896      39.04278       10.67637      37.34958       4.835892      61.92841 8.619927 60.99812 3.963968 0.9302940      9.487686 
1 1 1 11 13 27 o 99.25055 2.340230 98.82903       4.670823      102.6547       7.559181      95.07423       5.486251      101.1095 3.738116 97.39159 2.816594 3.717918       4.680460 
1 1 1 11 13 28 f 148.0878 2.203599 219.9743       6.526966      220.3994       10.56302      219.4784       7.672533      148.1766 3.564333 147.9990 2.592089 0.1775970      4.407198 
1 1 1 11 13 29 o 157.3083 2.221078 248.4540       7.028550      258.7266       11.42733      238.1106       8.189702      160.4970 3.559982 154.1195 2.656932 6.377457       4.442157 
1 1 1 11 13 30 o 136.7784 2.255857 188.0939       6.108272      173.0039       9.450747      203.2548       7.736294      131.1963 3.601759 142.3606 2.717146 -11.16438      4.511713 
1 1 1 11 13 31 o 148.7305 2.469441 222.3830       7.360813      226.9879       11.22896      217.7781       9.507423      150.2146 3.737639 147.2464 3.228407 2.968277       4.938881 
1 1 1 11 13 32 o 102.4251 3.001923 106.0552       6.144402      111.3686       8.706873      100.7418       8.671450      105.0168 4.145467 99.83350 4.342956 5.183289       6.003846 
1 1 1 11 13 33 o 158.2944 2.564018 252.4922       8.125941      259.3642       11.87365      245.6202       11.08727      160.4245 3.700697 156.1643 3.549873 4.260193       5.128036 
1 1 1 11 13 34 o 68.98624 4.973768 50.37092       7.325392      64.87293       13.19846      35.86891       6.340643      78.66189 8.389359 59.31059 5.345288 19.35130       9.947536 
1 1 1 11 13 35 o 41.93831 7.076321 18.74563       6.665823      16.35815       12.66003      21.14020       4.186950      38.30666 13.38628 45.56996 4.593981 -7.263298      14.15264 
1 1 1 11 13 36 o 25.74451 7.157599 -5.596769      9.372816      -18.27806      18.35599      7.083809       3.788800      25.88977 12.40962 25.59925 7.136259 0.2905197      14.31520 
1 1 1 11 13 37 o 47.90321 8.335329 28.46559       9.464915      38.05803       18.57561      18.86607       3.669780      52.82743 16.11472 42.97900 4.269272 9.848434       16.67066 
1 1 1 11 13 38 o 29.47160 7.596435 6.075682       8.912323      3.361604       17.46334      8.791886       3.574140      30.68925 13.74992 28.25396 6.462431 2.435295       15.19287 
1 1 1 11 13 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 13 41 o 45.16447 7.390677 28.04052       7.417490      28.77023       14.16195      27.31082       4.427115      39.54641 14.12404 50.78254 4.358895 -11.23613      14.78135 
1 1 1 11 13 42 o 21.19174 5.699883 2.736749       4.512838      -1.461536      8.218040      6.935034       3.739917      18.82313 8.805813 23.56035 7.239636 -4.737223      11.39977 
1 1 1 11 14 0  o 255.4349 3.418338 652.9091       17.45625      652.9091       17.45625      652.9091       17.45625      255.4349 3.418338 255.4349 3.418338 0.000000       0.000000 
1 1 1 11 14 1  o 390.2318 3.165352 1523.171       24.70371      1523.880       34.98335      1523.171       34.89125      390.2769 4.481863 390.1866 4.471098 0.9030151E-01  6.330704 
1 1 1 11 14 2  o 178.7913 2.484570 319.7243       8.883986      318.5908       12.48292      320.9286       12.64586      178.4647 3.497308 179.1178 3.530041 -0.6531067     4.969140 
1 1 1 11 14 3  o 142.5450 2.170084 203.2548       6.186202      206.7971       8.834394      199.7126       8.664365      143.7872 3.072037 141.3029 3.065885 2.484344       4.340168 
1 1 1 11 14 4  o 297.9384 2.641423 887.6901       15.74180      876.3549       22.03993      899.7338       22.47918      295.9778 3.723241 299.8991 3.747790 -3.921265      5.282845 
1 1 1 11 14 5  f 383.4818 3.139367 1471.454       24.08027      1453.035       33.70105      1489.874       34.40242      381.0823 4.421754 385.8813 4.457644 -4.798920      6.278734 
1 1 1 11 14 6  o 314.9196 2.761093 991.8326       17.39249      999.6255       24.71788      984.7480       24.46993      316.1000 3.909821 313.7393 3.899723 2.360718       5.522186 
1 1 1 11 14 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 8  o 39.10395 5.725597 16.23771       4.493001      24.60453       6.514922      7.870899       6.188326      49.57471 6.570813 28.63319 9.378394 20.94152       11.45119 
1 1 1 11 14 9  o 465.7104 3.695744 2170.696       34.43784      2222.413       49.81124      2118.979       47.55837      471.2553 5.284954 460.1655 5.167529 11.08981       7.391488 
1 1 1 11 14 10 o 380.6605 3.206438 1449.492       24.40616      1443.116       34.38825      1456.577       34.65746      379.7773 4.527423 381.5437 4.541742 -1.766388      6.412876 
1 1 1 11 14 11 o 635.1393 5.199228 4041.009       66.09147      4016.922       85.93520      4065.096       100.3876      633.3275 6.784421 636.9510 7.880325 -3.623596      10.39846 
1 1 1 11 14 12 o 212.5113 2.575340 451.9922       10.97392      436.8314       14.16195      467.0822       16.76197      208.9612 3.388655 216.0614 3.878983 -7.100159      5.150679 
1 1 1 11 14 13 o 447.5647 3.851681 2005.627       34.50869      1981.540       44.68914      2029.714       52.59546      444.9173 5.022184 450.2121 5.841187 -5.294769      7.703363 
1 1 1 11 14 14 o 201.6882 2.675176 407.0764       10.79680      414.1609       15.72763      399.9919       14.79247      203.4405 3.865413 199.9359 3.699304 3.504593       5.350353 
1 1 1 11 14 15 o 178.5910 2.977695 319.2284       10.61969      323.4791       13.62353      314.9777       16.30148      179.7943 3.788643 177.3876 4.594873 2.406647       5.955391 
1 1 1 11 14 16 o 143.0502 2.615624 204.8134       7.481250      199.4292       10.76138      210.1976       10.38590      141.1665 3.811593 144.9340 3.582978 -3.767471      5.231249 
1 1 1 11 14 17 o 238.7534 2.591290 570.5162       12.36957      569.7369       18.82356      571.3663       16.06060      238.5657 3.945154 238.9411 3.360786 -0.3754883     5.182579 
1 1 1 11 14 18 o 105.9416 2.661420 113.2106       5.539385      93.51564       8.111773      132.9764       7.545012      96.62482 4.197562 115.2583 3.273087 -18.63351      5.322840 
1 1 1 11 14 19 o 172.1082 2.394753 296.5579       8.246379      296.1328       12.51126      296.9830       10.73304      171.9695 3.637639 172.2470 3.115597 -0.2774811     4.789505 
1 1 1 11 14 20 o 102.4670 2.902671 105.2051       5.929033      103.0797       9.514507      107.3305       7.080267      101.4021 4.691477 103.5320 3.419363 -2.129921      5.805342 
1 1 1 11 14 21 o 153.0777 2.503269 234.9226       7.672533      249.3042       11.39190      220.5410       10.29380      157.7628 3.610454 148.3926 3.468436 9.370178       5.006539 
1 1 1 11 14 22 o 249.9989 2.921744 626.8381       14.51618      600.2712       23.01051      653.3342       17.71129      244.6149 4.703417 255.3829 3.467596 -10.76810      5.843488 
1 1 1 11 14 23 o 217.9363 2.502521 476.0796       10.92433      484.4393       16.74780      467.7199       14.02734      219.8107 3.809596 216.0620 3.246140 3.748779       5.005042 
1 1 1 11 14 24 f 110.3867 2.383630 122.2788       5.307721      129.8592       8.643111      114.6983       6.164948      113.7743 3.798358 106.9991 2.880841 6.775208       4.767260 
1 1 1 11 14 25 o 138.2625 3.018089 191.9904       8.402238      197.0913       15.11836      186.9604       7.353730      139.9082 5.402959 136.6168 2.691371 3.291382       6.036178 
1 1 1 11 14 26 o 146.2532 3.014176 215.0151       8.742295      209.7017       15.57177      220.3285       7.955913      144.2215 5.398560 148.2848 2.682646 -4.063293      6.028353 
1 1 1 11 14 27 o 109.2764 3.231688 120.2951       7.219123      129.2924       13.14886      111.3686       5.967289      113.1457 5.810591 105.4070 2.830594 7.738640       6.463376 
1 1 1 11 14 28 o 114.2113 2.353198 130.9927       5.375732      131.0636       8.671450      130.8510       6.353395      114.1899 3.796942 114.2328 2.780899 -0.4285431E-01 4.706396 
1 1 1 11 14 29 o 50.45057 3.733546 25.76639       3.785967      28.24597       5.806470      23.28681       4.860687      52.86345 5.491953 48.03770 5.059242 4.825745       7.467093 
1 1 1 11 14 30 o 94.19997 2.646832 89.26492       4.992460      90.61098       7.594603      87.84802       6.480917      94.89247 4.001689 93.50746 3.465454 1.385010       5.293665 
1 1 1 11 14 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 32 o 152.9559 2.788538 236.3395       8.579351      255.7511       13.26222      216.9279       10.88182      159.1738 4.165955 146.7379 3.707910 12.43588       5.577076 
1 1 1 11 14 33 o 98.66432 2.793664 98.40395       5.487668      93.23225       8.253463      103.5048       7.233293      95.99820 4.298759 101.3304 3.569161 -5.332245      5.587328 
1 1 1 11 14 34 o 102.7265 2.726070 106.6928       5.601728      106.9054       8.685618      106.4803       7.073183      102.7151 4.228015 102.7380 3.442342 -0.2287292E-01 5.452140 
1 1 1 11 14 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 14 36 o 35.73683 7.925172 12.19954       8.954830      11.22896       17.47042      13.17012       3.948202      35.78207 14.85401 35.69159 5.530998 0.9048462E-01  15.85034 
1 1 1 11 14 37 f 64.61890 6.717790 48.34475       6.916615      29.42200       12.83006      67.26041       5.171698      47.80558 13.05493 81.43224 3.175461 -33.62666      13.43558 
1 1 1 11 14 38 o 21.65607 6.852367 2.263504       6.325766      4.285425       12.07910      0.2415112      3.759045      27.70539 11.95508 15.60675 6.700426 12.09864       13.70473 
1 1 1 11 14 39 o 38.88141 6.337470 17.43500       5.829141      11.25730       11.04476      23.60561       3.734958      30.02969 12.05602 47.73313 3.912333 -17.70344      12.67494 
1 1 1 11 14 40 o 33.07461 6.749008 13.97775       5.358729      15.62845       9.875818      12.31998       4.160029      33.22822 11.80190 32.92100 6.550687 0.3072166      13.49802 
1 1 1 11 14 41 o 112.9245 4.597559 144.4533       9.634944      132.6222       17.91675      156.2136       7.105771      102.5973 8.731591 123.2518 2.882623 -20.65456      9.195118 
1 1 1 11 14 42 o 15.84900 5.445710 -3.463621      5.577641      -5.149027      10.53468      -1.777505      3.669072      18.83964 9.113262 12.85835 5.964182 5.981285       10.89142 
1 1 1 11 15 0  o 152.2296 3.244679 232.0888       9.868733      232.0888       9.868733      232.0888       9.868733      152.2296 3.244679 152.2296 3.244679 -0.000000      0.000000 
1 1 1 11 15 1  o 158.3148 2.444081 250.7211       7.743378      251.5004       11.71779      249.9418       10.11669      158.5570 3.695137 158.0725 3.200016 0.4844208      4.888163 
1 1 1 11 15 2  o 456.1746 3.615400 2082.848       32.98552      2089.933       46.82158      2075.055       46.47443      456.9887 5.122838 455.3605 5.103038 1.628174       7.230800 
1 1 1 11 15 3  o 347.1428 3.261438 1205.785       22.60670      1165.403       33.12720      1246.875       30.76806      341.2679 4.853549 353.0177 4.357864 -11.74979      6.522877 
1 1 1 11 15 4  o 252.8568 7.024090 0.000000       0.000000      ?              ?             640.2278       35.52177      ?        ?        252.8568 7.024090 ?              ?        
1 1 1 11 15 5  f 521.4857 4.061745 2721.872       42.36542      2733.207       60.14756      2710.537       59.67289      522.5707 5.754968 520.4007 5.733360 2.170044       8.123489 
1 1 1 11 15 6  o 146.7756 2.805540 215.5819       8.267632      222.9498       13.01426      208.2140       10.19462      149.2783 4.359060 144.2729 3.533104 5.005371       5.611081 
1 1 1 11 15 7  o 44.08950 6.163433 20.14837       5.301345      25.55386       7.516674      14.74997       7.481250      50.51468 7.440088 37.66432 9.828363 12.85036       12.32687 
1 1 1 11 15 8  o 129.2679 2.839963 167.1946       7.346645      170.7369       10.40716      163.6524       10.35756      130.6379 3.983206 127.8980 4.049152 2.739983       5.679926 
1 1 1 11 15 9  o 376.1920 3.194177 1416.195       24.03777      1439.574       34.42367      1392.816       33.55228      379.2962 4.537835 373.0877 4.496567 6.208496       6.388354 
1 1 1 11 15 10 o 223.5714 2.480437 500.0961       11.09435      497.8999       15.67095      502.2214       15.69929      223.0882 3.512277 224.0545 3.503453 -0.9662933     4.960875 
1 1 1 11 15 11 o 226.2687 2.624768 512.4232       11.90907      493.5075       15.24588      531.3389       18.30639      222.0997 3.432215 230.4377 3.972092 -8.337921      5.249535 
1 1 1 11 15 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 13 o 449.7052 3.580249 2024.755       32.19913      2020.505       45.48969      2029.006       45.58887      449.2332 5.063038 450.1773 5.063436 -0.9440918     7.160498 
1 1 1 11 15 14 o 488.3571 4.130227 2388.899       40.37467      2359.145       52.31208      2418.654       61.52195      485.3745 5.388836 491.3396 6.260635 -5.965027      8.260454 
1 1 1 11 15 15 o 343.7813 3.157946 1183.115       21.72113      1178.864       28.40891      1187.365       32.85799      343.1894 4.138956 344.3731 4.770696 -1.183716      6.315892 
1 1 1 11 15 16 o 154.8515 2.394433 240.1652       7.445828      226.9879       9.457831      253.3424       11.50526      150.6089 3.139864 159.0941 3.615865 -8.485184      4.788865 
1 1 1 11 15 17 o 107.7066 2.577442 116.1152       5.550012      116.3986       7.289969      115.9027       8.373900      107.8309 3.380278 107.5824 3.891856 0.2485504      5.154883 
1 1 1 11 15 18 o 268.6765 2.767724 723.3293       14.94833      755.9181       23.63395      690.8113       18.29931      274.6818 4.302060 262.6712 3.483311 12.01056       5.535447 
1 1 1 11 15 19 o 364.1162 3.301687 1329.056       24.05194      1334.723       36.76865      1323.388       31.01602      364.8194 5.039294 363.4130 4.267323 1.406372       6.603373 
1 1 1 11 15 20 o 326.0731 3.071876 1066.928       19.97126      1007.418       29.25906      1125.730       27.18330      316.9739 4.615374 335.1723 4.055123 -18.19839      6.143753 
1 1 1 11 15 21 o 182.5444 2.592218 333.8224       9.464915      335.8062       13.65187      331.9097       13.11344      183.0711 3.728569 182.0177 3.602243 1.053375       5.184436 
1 1 1 11 15 22 o 235.1702 2.614348 554.3635       12.28455      550.0419       18.60394      558.6851       16.06060      234.2109 3.971623 236.1294 3.400805 -1.918579      5.228696 
1 1 1 11 15 23 f 69.87036 3.448729 49.42160       4.774257      57.80258       6.815306      41.04061       6.687077      75.86458 4.491758 63.87614 5.234408 11.98843       6.897458 
1 1 1 11 15 24 o 136.3609 2.612088 186.5353       7.141194      191.3528       11.31397      181.7887       8.728126      138.0586 4.097526 134.6632 3.240724 3.395416       5.224176 
1 1 1 11 15 25 o 247.3604 2.858143 614.5819       14.14070      600.0587       19.99251      629.1052       19.99251      244.4247 4.089707 250.2960 3.993773 -5.871323      5.716286 
1 1 1 11 15 26 o 43.67313 5.111552 19.92166       4.294635      24.31407       6.155029      15.52218       5.989960      49.02143 6.277896 38.32484 8.068450 10.69660       10.22310 
1 1 1 11 15 27 o 67.79527 4.528351 47.45919       6.592852      60.04837       12.10036      34.87708       5.243960      76.72246 7.885798 58.86809 4.453992 17.85437       9.056703 
1 1 1 11 15 28 o 162.3473 4.341512 267.3697       13.53851      241.5820       25.03669      293.2282       10.30089      153.7172 8.143748 170.9773 3.012356 -17.26007      8.683024 
1 1 1 11 15 29 o 32.04323 8.023391 6.657322       8.388069      3.272339       16.08894      10.04585       4.740251      33.34618 14.07016 30.74028 7.715552 2.605896       16.04678 
1 1 1 11 15 30 o 84.42317 3.149651 71.90786       5.290009      69.60538       8.416408      74.24575       6.415030      82.94996 5.073184 85.89638 3.734169 -2.946419      6.299302 
1 1 1 11 15 31 o 83.93021 3.230950 71.27025       5.421782      71.41194       8.643111      71.12856       6.551054      83.88140 5.151984 83.97901 3.900411 -0.9761047E-01 6.461900 
1 1 1 11 15 32 o 129.0479 2.598891 167.8322       6.710455      168.3990       11.01642      167.2655       7.658363      129.0922 4.266882 129.0036 2.968275 0.8860779E-01  5.197783 
1 1 1 11 15 33 o 26.99697 5.879154 7.566265       3.714412      11.84531       5.686034      3.286508       4.779924      32.97730 8.551229 21.01664 8.070582 11.96066       11.75831 
1 1 1 11 15 34 o 23.57494 6.200702 4.741668       3.948202      3.518880       5.737751      5.964456       5.426032      22.33892 8.783779 24.81095 8.754429 -2.472027      12.40140 
1 1 1 11 15 35 o 102.2126 2.620740 106.0552       5.333934      95.71184       7.608772      116.4695       7.474166      97.12367 3.917053 107.3015 3.482787 -10.17786      5.241480 
1 1 1 11 15 36 o 117.6143 3.975876 143.6032       9.443663      151.3961       16.78322      135.7394       8.664365      119.6634 7.012679 115.5652 3.748691 4.098206       7.951752 
1 1 1 11 15 37 o 113.8536 5.014527 139.7067       11.38482      147.5705       22.03285      131.7720       5.748378      113.4742 9.708311 114.2330 2.516075 -0.7588730     10.02905 
1 1 1 11 15 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 15 40 o 17.99647 5.372410 -11.29981      6.910239      -26.31190      13.56685      3.710162       2.633315      17.60069 8.833126 18.39226 6.117765 -0.7915726     10.74482 
1 1 1 11 15 41 o 15.67337 5.292841 -3.699536      4.785592      -5.419656      8.628942      -1.979414      4.139484      17.65506 8.473595 13.69168 6.344674 3.963382       10.58568 
1 1 1 11 16 0  o 500.3143 5.583486 2505.086       55.85434      2505.086       55.85434      2505.086       55.85434      500.3143 5.583486 500.3143 5.583486 -0.000000      0.000000 
1 1 1 11 16 1  o 127.6509 2.696486 163.0856       6.884734      170.1701       9.882903      156.0011       9.585353      130.4251 3.788726 124.8767 3.837928 5.548454       5.392971 
1 1 1 11 16 2  o 116.3736 2.838448 135.5268       6.604896      133.5432       9.408240      137.4397       9.273635      115.5362 4.071555 117.2110 3.955956 -1.674820      5.676896 
1 1 1 11 16 3  o 145.7864 2.641017 212.6772       7.700871      205.3093       10.76138      220.0451       11.01642      143.2601 3.755890 148.3128 3.713917 -5.052658      5.282034 
1 1 1 11 16 4  o 335.2814 2.997581 1125.021       20.09878      1122.188       28.39475      1127.147       28.45851      334.9117 4.239139 335.6510 4.239301 -0.7392273     5.995162 
1 1 1 11 16 5  o 706.1517 5.320575 4993.877       75.16674      4989.626       106.1969      4998.836       106.3386      705.8264 7.522879 706.4770 7.525979 -0.6506348     10.64115 
1 1 1 11 16 6  o 459.9753 3.714809 2117.562       34.17571      2140.941       48.78399      2094.184       47.87717      462.5132 5.273795 457.4375 5.233193 5.075684       7.429618 
1 1 1 11 16 7  o 274.5801 2.727664 754.5012       14.98375      778.5886       21.74947      730.4138       20.62303      278.9628 3.898275 270.1974 3.816290 8.765350       5.455329 
1 1 1 11 16 8  o 454.5272 3.653270 2067.971       33.21222      2087.807       47.33875      2048.134       46.59487      456.7059 5.182629 452.3485 5.150329 4.357361       7.306540 
1 1 1 11 16 9  o 262.8147 2.612064 691.3073       13.73688      664.3152       18.92983      718.3701       19.90749      257.6763 3.673181 267.9532 3.714734 -10.27692      5.224127 
1 1 1 11 16 10 o 372.6220 9.338995 0.000000       0.000000      ?              ?             1393.525       69.59830      ?        ?        372.6220 9.338995 ?              ?        
1 1 1 11 16 11 f 140.1285 2.579788 196.6662       7.212039      207.5764       9.882903      185.6852       10.49926      144.0366 3.430691 136.2204 3.853775 7.816193       5.159576 
1 1 1 11 16 12 o 101.0319 2.667933 102.1587       5.389193      99.60831       7.587519      104.7092       7.658363      99.77005 3.802504 102.2938 3.743318 -2.523735      5.335866 
1 1 1 11 16 13 o 234.7504 2.929058 551.7422       13.66603      528.7884       21.71405      574.7670       16.60611      229.8283 4.723972 239.6725 3.464334 -9.844177      5.858116 
1 1 1 11 16 14 o 34.44010 5.966398 11.60444       4.602103      18.97942       5.969415      4.235834       7.005171      43.50692 6.860304 25.37328 9.763597 18.13364       11.93280 
1 1 1 11 16 15 o 235.9707 2.633754 557.4099       12.44041      549.2626       16.08185      565.6279       18.99359      234.2577 3.432514 237.6838 3.995559 -3.426132      5.267508 
1 1 1 11 16 16 o 157.9949 2.275134 249.9418       7.190785      239.5984       9.989170      260.3560       10.34340      154.7130 3.228290 161.2767 3.206724 -6.563660      4.550267 
1 1 1 11 16 17 o 220.9006 2.382293 488.5484       10.52759      493.0824       14.94833      484.0143       14.82081      221.9258 3.367868 219.8754 3.370275 2.050323       4.764586 
1 1 1 11 16 18 o 224.8359 2.560480 506.2596       11.51943      505.9054       15.23880      506.6138       17.26497      224.7778 3.389748 224.8940 3.838469 -0.1162262     5.120960 
1 1 1 11 16 19 o 118.8601 2.527487 141.6195       6.024674      134.8892       7.800055      148.2789       9.188620      116.0594 3.360372 121.6607 3.776329 -5.601349      5.054974 
1 1 1 11 16 20 o 42.16686 5.155782 18.24263       4.208204      17.45625       6.714706      19.02193       5.074640      40.82286 8.504256 43.51085 5.831465 -2.687988      10.31156 
1 1 1 11 16 21 o 64.83644 3.461855 42.27332       4.439867      38.80899       6.888985      45.74473       5.603145      62.13599 5.543474 67.53689 4.148211 -5.400894      6.923710 
1 1 1 11 16 22 o 126.4700 2.515426 160.3935       6.376066      164.2191       9.982086      156.5679       7.941744      127.9447 3.900937 124.9953 3.176817 2.949402       5.030852 
1 1 1 11 16 23 o 39.31319 5.399576 16.82573       4.174198      25.49718       6.240043      8.154280       5.546469      50.26900 6.206652 28.35737 8.837372 21.91163       10.79915 
1 1 1 11 16 24 o 92.69985 3.255470 86.99788       6.215956      100.8835       10.66928      73.04137       6.380316      100.0849 5.330117 85.31480 3.739279 14.77010       6.510941 
1 1 1 11 16 25 o 76.93883 3.715811 59.68707       5.725707      60.95520       8.706873      58.42602       7.438744      77.71104 5.602082 76.16661 4.883205 1.544434       7.431623 
1 1 1 11 16 26 o 134.3950 2.777239 181.5053       7.481250      184.1266       11.95867      178.8132       8.983169      135.2962 4.419439 133.4938 3.364638 1.802368       5.554479 
1 1 1 11 16 27 o 80.79350 3.335256 65.81518       5.359438      62.84676       8.288886      68.78358       6.799012      78.89555 5.253076 82.69144 4.111073 -3.795891      6.670512 
1 1 1 11 16 28 o 91.06119 3.170856 83.80984       5.686742      74.03321       8.685618      93.65733       7.346645      85.61643 5.072402 96.50595 3.806317 -10.88952      6.341712 
1 1 1 11 16 29 o 35.75462 8.084030 12.10036       7.311223      9.585353       12.95050      14.60828       6.779883      34.63104 13.28842 36.87819 9.209996 -2.247143      16.16806 
1 1 1 11 16 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 16 31 o 57.83456 3.724144 34.01986       4.337142      36.80407       6.793344      31.22855       5.392735      60.14373 5.647592 55.52538 4.856099 4.618343       7.448287 
1 1 1 11 16 32 o 69.05015 3.232090 48.39434       4.489459      51.80908       7.008005      44.97252       5.613063      71.42173 4.906074 66.67857 4.209046 4.743164       6.464180 
1 1 1 11 16 33 o 38.72169 5.394081 15.92599       4.094851      15.52926       6.490126      16.32981       4.995294      37.62466 8.777225 39.81874 6.272541 -2.194080      10.78816 
1 1 1 11 16 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 16 35 o 46.19017 4.722985 23.22305       4.166405      30.59095       6.265547      15.85515       5.493335      54.29973 5.769410 38.08061 7.479321 16.21912       9.445970 
1 1 1 11 16 36 o 86.04153 3.912718 0.000000       0.000000      ?              ?             75.66265       6.733126      ?        ?        86.04153 3.912718 ?              ?        
1 1 1 11 16 37 o 19.23944 6.598706 -6.920157      7.268716      -6.142985      13.23388      -7.700871      6.009089      23.90220 11.17903 14.57668 7.014332 9.325519       13.19741 
1 1 1 11 16 38 o 28.25882 6.471282 6.852146       5.997045      1.716579       11.17937      11.98701       4.350603      24.24145 10.92528 32.27618 6.938890 -8.034727      12.94256 
1 1 1 11 16 39 o 56.41875 5.736958 36.93867       5.870940      35.52885       11.03768      38.34141       4.000627      51.74090 10.99689 61.09660 3.274018 -9.355701      11.47392 
1 1 1 11 16 40 o 38.49031 5.683013 17.63337       5.180908      7.084518       9.613690      28.17513       3.859645      25.08402 10.74051 51.89661 3.718591 -26.81258      11.36603 
1 1 1 11 16 41 o 15.90724 6.836610 0.000000       0.000000      ?              ?             1.285131       3.920572      ?        ?        15.90724 6.836610 ?              ?        
1 1 1 11 17 0  o 83.69215 5.521675 70.98687       9.160281      70.98687       9.160281      70.98687       9.160281      83.69215 5.521675 83.69215 5.521675 0.000000       0.000000 
1 1 1 11 17 1  o 98.87878 3.457596 98.33311       6.788385      111.6520       9.578268      84.94337       9.620775      105.6318 4.533800 92.12575 5.221546 13.50606       6.915192 
1 1 1 11 17 2  o 432.8693 3.558346 1875.272       30.80348      1868.896       43.48477      1881.648       43.64771      432.1335 5.031405 433.6052 5.033118 -1.471680      7.116693 
1 1 1 11 17 3  o 90.85017 3.579741 82.74717       6.495085      89.54830       9.316141      75.94603       9.054014      94.59213 4.924374 87.10822 5.196992 7.483917       7.159482 
1 1 1 11 17 4  o 278.3010 2.750334 775.0463       15.30964      794.8829       22.01160      755.2096       21.28897      281.8625 3.904670 274.7396 3.874392 7.122894       5.500669 
1 1 1 11 17 5  o 267.6893 2.698097 716.9532       14.44533      716.2448       20.48843      717.6617       20.36799      267.5565 3.828803 267.8220 3.802523 -0.2654724     5.396194 
1 1 1 11 17 6  o 227.1278 2.548025 516.1780       11.57610      510.0144       16.28731      522.2707       16.45025      225.7793 3.606909 228.4763 3.599991 -2.696976      5.096050 
1 1 1 11 17 7  o 329.4932 2.940026 1086.057       19.37616      1082.514       27.39583      1090.307       27.40292      328.9019 4.164742 330.0844 4.150896 -1.182526      5.880052 
1 1 1 11 17 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 17 9  o 155.7840 2.424597 242.8573       7.559181      245.0535       10.76847      240.5902       10.59844      156.4996 3.440413 155.0684 3.417343 1.431198       4.849194 
1 1 1 11 17 10 o 420.8194 3.427159 1772.546       28.84815      1752.710       40.35341      1793.092       41.23189      418.4254 4.822055 423.2134 4.871289 -4.787994      6.854318 
1 1 1 11 17 11 o 74.54398 3.230206 55.87559       4.802595      63.30725       6.988169      48.43685       6.589310      79.52892 4.393476 69.55904 4.736487 9.969879       6.460413 
1 1 1 11 17 12 o 193.4936 2.346153 374.6293       9.082352      366.1279       12.62461      383.2016       13.05677      191.2895 3.299870 195.6977 3.335953 -4.408173      4.692306 
1 1 1 11 17 13 o 507.4762 4.295373 2581.598       43.56270      2556.802       65.38302      2606.394       57.59713      504.9559 6.474131 509.9964 5.646817 -5.040497      8.590746 
1 1 1 11 17 14 o 185.8433 2.557106 345.7953       9.486169      355.2886       12.52543      336.3729       14.24696      188.4012 3.324136 183.2854 3.886553 5.115875       5.114213 
1 1 1 11 17 15 o 49.84982 4.569457 25.28464       4.479541      31.07270       6.428492      19.49659       6.239335      55.65237 5.775577 44.04726 7.082546 11.60511       9.138914 
1 1 1 11 17 16 o 207.9094 2.370303 432.7932       9.854564      426.5588       13.82898      439.0276       14.04860      206.4120 3.349848 209.4068 3.354380 -2.994751      4.740606 
1 1 1 11 17 17 o 126.1074 2.400820 159.6142       6.061513      143.5323       8.161365      175.7669       8.961915      119.7249 3.408381 132.4899 3.382113 -12.76494      4.801641 
1 1 1 11 17 18 o 75.39696 3.057108 57.05162       4.607062      53.16930       6.399445      60.92685       6.630400      72.82790 4.393540 77.96602 4.252110 -5.138123      6.114215 
1 1 1 11 17 19 o 202.8888 2.515359 412.4607       10.22296      403.1799       13.29764      421.6705       15.52926      200.6383 3.313834 205.1393 3.785054 -4.500992      5.030719 
1 1 1 11 17 20 o 211.1893 2.693538 447.1039       11.37774      447.9540       15.99684      446.2538       16.18104      211.3936 3.783664 210.9851 3.834641 0.4084930      5.387075 
1 1 1 11 17 21 o 100.8181 2.805695 101.9462       5.653445      100.3168       8.366816      103.6465       7.601687      99.97665 4.184384 101.6595 3.738800 -1.682808      5.611390 
1 1 1 11 17 22 o 148.6183 2.847957 221.9579       8.543928      237.6856       13.87149      206.3011       9.982086      153.8068 4.509386 143.4298 3.479780 10.37701       5.695913 
1 1 1 11 17 23 o 84.47380 3.310766 71.83701       5.511046      66.19065       8.926493      77.50462       6.464623      81.05663 5.506331 87.89097 3.677637 -6.834335      6.621533 
1 1 1 11 17 24 o 84.59859 3.604891 72.12038       6.071432      70.91602       10.31506      73.32476       6.406529      83.74429 6.158663 85.45289 3.748574 -1.708595      7.209781 
1 1 1 11 17 25 o 51.97783 4.054184 27.31082       4.248586      29.13154       6.837976      25.49010       5.044177      53.65379 6.372314 50.30186 5.013906 3.351929       8.108369 
1 1 1 11 17 26 o 114.5640 2.563585 131.9137       5.884400      133.9682       9.344479      129.7884       7.155363      115.4053 4.048548 113.7227 3.145970 1.682640       5.127170 
1 1 1 11 17 27 o 44.94630 4.641408 20.67262       4.198994      24.16529       6.503587      17.17287       5.311971      48.76418 6.668407 41.12842 6.457787 7.635757       9.282816 
1 1 1 11 17 28 o 99.78452 3.093327 100.4585       6.187618      107.9680       9.238212      92.94887       8.232210      103.5042 4.462721 96.06479 4.284718 7.439461       6.186654 
1 1 1 11 17 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 17 30 o 63.07044 8.410853 43.42809       10.30797      41.66405       19.10695      45.19214       7.736294      59.52449 15.78776 66.61639 5.806599 -7.091900      16.82171 
1 1 1 11 17 31 o 59.27857 7.512909 39.58828       9.472000      53.70064       17.56960      25.47593       7.078141      68.84583 13.23222 49.71131 7.119247 19.13451       15.02582 
1 1 1 11 17 32 o 101.1022 5.089656 106.6220       10.71179      120.8619       20.31840      92.38211       6.808930      106.5216 9.537215 95.68273 3.558077 10.83891       10.17931 
1 1 1 11 17 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 17 34 o 70.26135 3.287479 50.40635       4.621940      51.00144       6.942119      49.81833       6.104729      70.58750 4.917386 69.93520 4.364561 0.6522980      6.574958 
1 1 1 11 17 35 o 19.72847 5.721278 1.292216       3.778173      4.595018       5.464997      -2.011295      5.218455      22.93184 8.680639 16.52511 7.455104 6.406727       11.44256 
1 1 1 11 17 36 o 121.1171 2.722706 150.0501       6.596395      157.9848       9.557014      142.1863       9.096521      124.3111 3.843992 117.9231 3.856972 6.387955       5.445411 
1 1 1 11 17 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 17 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 17 39 o 41.80558 6.381216 21.96909       5.511046      21.13312       10.42133      22.80506       3.590434      36.88702 12.17035 46.72414 3.842161 -9.837124      12.76243 
1 1 1 11 17 40 o 19.75421 6.002678 1.591183       5.056221      -0.9642029     9.181536      4.147277       4.230165      19.90990 9.311697 19.59852 7.577656 0.3113861      12.00536 
1 1 1 11 18 0  o 41.98165 9.368771 20.06335       6.860647      20.06335       6.860647      20.06335       6.860647      41.98165 9.368771 41.98165 9.368771 0.000000       0.000000 
1 1 1 11 18 1  o 228.0397 2.549359 520.2870       11.62569      519.2242       16.37232      521.3496       16.51401      227.8072 3.593460 228.2722 3.617176 -0.4649811     5.098717 
1 1 1 11 18 2  o 149.1321 2.573812 222.5956       7.672533      214.4483       10.78264      230.7427       10.92433      146.4011 3.682567 151.8631 3.596767 -5.462021      5.147624 
1 1 1 11 18 3  f 101.0482 2.988922 102.3004       6.037426      108.1097       8.628942      96.42028       8.444746      103.9394 4.150948 98.15692 4.301656 5.782509       5.977843 
1 1 1 11 18 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 18 5  o 99.96841 3.565474 100.3168       7.127024      109.9517       10.42841      90.61098       9.719957      104.8012 4.975328 95.13560 5.108476 9.665619       7.130948 
1 1 1 11 18 6  o 556.8610 4.314012 3105.853       48.04720      3120.730       68.30183      3091.684       67.59338      558.1601 6.118481 555.5618 6.083336 2.598267       8.628023 
1 1 1 11 18 7  o 57.87058 4.182781 33.54519       4.840851      33.80024       6.738793      33.29015       6.950621      58.09240 5.800065 57.64876 6.028421 0.4436417      8.365561 
1 1 1 11 18 8  o 151.8396 2.632643 230.7427       7.991336      228.8299       12.10744      232.5847       10.42841      151.2140 4.003412 152.4652 3.419932 -1.251144      5.265286 
1 1 1 11 18 9  o 78.01666 3.223299 61.31650       4.997419      70.91602       7.204955      51.69573       6.928658      84.17418 4.279789 71.85915 4.820999 12.31503       6.446598 
1 1 1 11 18 10 o 360.2982 3.310197 1299.301       23.85357      1301.426       31.46235      1297.884       35.85475      360.5712 4.362848 360.0253 4.979476 0.5458984      6.620395 
1 1 1 11 18 11 o 286.5734 2.935077 821.8041       16.80448      812.5942       25.32715      831.7224       22.10369      284.8838 4.445173 288.2630 3.833946 -3.379242      5.870153 
1 1 1 11 18 12 o 25.39884 6.363546 5.040634       4.281883      0.9868734      5.813555      9.096521       6.288218      20.63401 8.567351 30.16367 9.411661 -9.529657      12.72709 
1 1 1 11 18 13 o 180.8994 2.595377 327.8006       9.422408      341.1904       14.53035      314.4109       11.99409      184.5783 3.936094 177.2205 3.383946 7.357803       5.190753 
1 1 1 11 18 14 o 297.7154 2.744823 887.6901       16.34398      889.8155       23.18054      885.5648       23.04594      298.0710 3.888426 297.3598 3.875093 0.7112732      5.489645 
1 1 1 11 18 15 o 133.2905 2.579301 178.0339       6.855688      185.5435       9.117774      170.4535       10.23713      136.1318 3.348878 130.4492 3.923798 5.682556       5.158602 
1 1 1 11 18 16 o 124.3711 2.802981 155.1509       6.974707      144.5950       9.578268      165.7069       10.13795      120.1340 3.986494 128.6082 3.941406 -8.474228      5.605963 
1 1 1 11 18 17 o 68.99216 3.761316 47.79924       5.181617      49.98836       7.233293      45.61013       7.424574      70.58195 5.124038 67.40236 5.507652 3.179596       7.522632 
1 1 1 11 18 18 f 104.2849 2.891196 109.3141       6.036009      97.90804       8.111773      120.7202       8.940661      98.82843 4.103967 109.7414 4.073514 -10.91296      5.782393 
1 1 1 11 18 19 o 78.83957 3.189901 62.47128       5.038509      67.32417       7.452912      57.61838       6.777758      81.90402 4.549785 75.77511 4.472285 6.128914       6.379802 
1 1 1 11 18 20 o 18.08109 5.575125 -2.098434      3.979374      1.652110       5.729958      -5.848269      5.523799      21.01247 8.587445 15.14971 7.112234 5.862765       11.15025 
1 1 1 11 18 21 o 177.7568 2.479972 316.8905       8.813140      313.2774       13.08510      320.5036       11.80281      176.7144 3.702332 178.7993 3.300574 -2.084930      4.959945 
1 1 1 11 18 22 o 146.3423 2.543119 214.8734       7.445828      214.8734       9.698705      214.8026       11.29272      146.3894 3.312640 146.2953 3.859565 0.9407043E-01  5.086238 
1 1 1 11 18 23 o 141.5764 2.486314 201.2003       7.008713      195.6744       11.20771      206.7262       8.423491      139.5541 4.015541 143.5988 2.932996 -4.044632      4.972629 
1 1 1 11 18 24 o 188.0761 2.573761 355.0760       9.691620      358.4766       15.10419      351.7463       12.14286      188.8920 3.998104 187.2602 3.242244 1.631760       5.147521 
1 1 1 11 18 25 o 97.78329 2.952266 96.27859       5.745543      91.10690       8.650196      101.4503       7.566265      95.09861 4.548014 100.4680 3.765511 -5.369354      5.904533 
1 1 1 11 18 26 o 230.9160 2.987575 536.5814       13.79356      536.0146       22.40833      537.0773       16.08185      230.5707 4.859319 231.2614 3.476987 -0.6906586     5.975150 
1 1 1 11 18 27 o 88.85787 3.239381 79.98421       5.871648      91.39028       9.734127      68.65606       6.564514      95.11179 5.117203 82.60395 3.973487 12.50784       6.478763 
1 1 1 11 18 28 o 207.8857 2.981989 435.8396       12.39082      435.4853       20.57344      436.1938       13.80772      207.4657 4.958274 208.3056 3.314295 -0.8398895     5.963978 
1 1 1 11 18 29 o 82.19694 3.755222 68.82609       6.209579      76.37110       9.557014      61.30233       7.927575      86.65932 5.514129 77.73455 5.099133 8.924774       7.510444 
1 1 1 11 18 30 o 39.47742 6.872777 17.12328       5.433117      14.91291       6.857105      19.34073       8.430575      37.00154 9.275341 41.95331 10.14437 -4.951763      13.74555 
1 1 1 11 18 31 o 65.59704 4.451879 44.20739       5.812847      45.66680       7.311223      42.74798       9.039845      66.89446 5.464744 64.29961 7.029471 2.594849       8.903757 
1 1 1 11 18 32 o 58.28510 6.546901 36.66946       7.792970      42.79757       12.97175      30.54136       8.650196      62.71727 10.34145 53.85294 8.031313 8.864323       13.09380 
1 1 1 11 18 33 f 35.35229 7.166122 10.01751       7.183701      -1.946826      12.40499      21.97617       7.247461      25.94836 11.60819 44.75621 8.406145 -18.80786      14.33224 
1 1 1 11 18 34 o 31.57974 5.943015 11.33523       3.934741      15.39466       6.060805      7.275800       5.018672      37.11826 8.364518 26.04123 8.444675 11.07703       11.88603 
1 1 1 11 18 35 o 84.07802 2.843930 72.61631       4.726790      64.73833       7.071057      80.55096       6.274049      79.25444 4.460985 88.90160 3.528648 -9.647156      5.687860 
1 1 1 11 18 36 o 21.77495 6.191298 4.082807       4.128857      4.226623       5.909905      3.938992       5.766797      21.97739 8.820735 21.57252 8.690416 0.4048748      12.38260 
1 1 1 11 18 37 o 23.08738 5.970140 5.102978       3.835558      8.954830       5.540093      1.251834       5.306304      27.46520 8.869165 18.70956 7.994258 8.755638       11.94028 
1 1 1 11 18 38 o 80.88149 2.845813 68.15306       4.591476      65.86476       6.825933      70.44136       6.142277      79.29077 4.304368 82.47221 3.723846 -3.181442      5.691627 
1 1 1 11 18 39 o 19.84605 5.998110 1.161152       5.098019      -1.674072      9.379901      3.996377       4.005587      20.17839 9.427351 19.51370 7.418515 0.6646938      11.99622 
1 1 1 11 18 40 f 21.56362 6.288743 6.656613       4.920197      9.833311       9.330310      3.477790       3.129231      25.33447 10.70345 17.79277 6.605245 7.541706       12.57749 
1 1 1 11 19 0  o 245.1740 3.648468 601.6881       17.88132      601.6881       17.88132      601.6881       17.88132      245.1740 3.648468 245.1740 3.648468 0.000000       0.000000 
1 1 1 11 19 1  o 199.3980 2.453333 397.7957       9.783719      402.3297       13.87149      393.3325       13.80064      200.5258 3.458779 198.2702 3.480261 2.255554       4.906666 
1 1 1 11 19 2  o 129.8102 2.596085 168.6824       6.740918      163.8649       9.358648      173.4290       9.705790      127.9698 3.656586 131.6507 3.686191 -3.680885      5.192170 
1 1 1 11 19 3  o 263.3510 2.640264 693.9993       13.90691      689.1819       19.53202      698.8168       19.80123      262.4375 3.721270 264.2644 3.746480 -1.826965      5.280527 
1 1 1 11 19 4  o 224.0129 2.503504 502.1506       11.21479      500.9463       15.87640      503.2841       15.84807      223.7519 3.547770 224.2739 3.533194 -0.5220795     5.007009 
1 1 1 11 19 5  o 432.7469 3.521146 1874.563       30.47760      1867.479       42.90384      1882.356       43.29349      431.8898 4.966990 433.6041 4.992283 -1.714294      7.042292 
1 1 1 11 19 6  o 327.5283 2.923229 1073.304       19.14945      1065.511       26.95659      1081.806       27.20455      326.2858 4.130825 328.7708 4.137312 -2.484985      5.846457 
1 1 1 11 19 7  o 179.8195 2.408350 323.5499       8.664365      320.7870       12.14995      326.3129       12.34832      179.0521 3.392852 180.5869 3.418940 -1.534775      4.816700 
1 1 1 11 19 8  o 157.9012 2.430442 249.8001       7.679617      232.3722       10.50634      267.2280       11.20062      152.3860 3.447279 163.4164 3.427019 -11.03044      4.860884 
1 1 1 11 19 9  f 94.76350 2.894286 89.90253       5.484834      89.54830       7.693786      90.25676       7.821308      94.57748 4.067451 94.94954 4.118666 -0.3720627     5.788572 
1 1 1 11 19 10 o 136.5167 2.492290 186.7479       6.802555      198.6499       9.769550      174.8459       9.464915      140.8737 3.467486 132.1597 3.580862 8.713943       4.984580 
1 1 1 11 19 11 o 212.3392 2.452996 451.4255       10.41424      452.5590       14.71454      450.2211       14.74997      212.6147 3.460378 212.0636 3.477722 0.5511017      4.905993 
1 1 1 11 19 12 o 154.3841 4.474168 0.000000       0.000000      ?              ?             238.8191       13.81481      ?        ?        154.3841 4.474168 ?              ?        
1 1 1 11 19 13 o 312.3964 3.676597 978.3719       22.93967      990.4156       29.20947      967.0367       35.38717      314.3514 4.645989 310.4413 5.699494 3.910126       7.353194 
1 1 1 11 19 14 o 18.36384 5.840705 -3.287216      4.527007      -4.157195      6.400862      -2.416529      6.402279      17.80705 8.111471 18.92062 8.405914 -1.113565      11.68141 
1 1 1 11 19 15 o 91.29988 3.264657 83.59731       5.964456      79.34660       8.210957      87.91887       8.650196      88.95891 4.615028 93.64086 4.618815 -4.681953      6.529314 
1 1 1 11 19 16 o 99.31722 2.945091 98.97072       5.864564      106.3386       8.798972      91.67366       7.757547      102.9940 4.271593 95.64040 4.055580 7.353638       5.890182 
1 1 1 11 19 17 o 158.4847 2.385148 251.6421       7.559181      245.6911       10.64095      257.5931       10.74013      156.6086 3.397307 160.3609 3.348736 -3.752396      4.770296 
1 1 1 11 19 18 o 135.9798 2.429737 185.3310       6.604187      189.7234       9.266549      180.9386       9.415324      137.5972 3.367274 134.3623 3.503707 3.234863       4.859475 
1 1 1 11 19 19 o 107.3972 2.626806 115.6902       5.641402      117.2488       7.892153      114.1316       8.062181      108.1263 3.649508 106.6682 3.779093 1.458061       5.253613 
1 1 1 11 19 20 o 101.2743 2.725126 102.9380       5.516006      107.6138       7.800055      98.33311       7.800055      103.5653 3.765765 98.98335 3.940084 4.581970       5.450252 
1 1 1 11 19 21 o 35.51428 5.628573 13.38265       4.213163      5.735625       5.768923      21.03393       6.142277      25.42099 9.021020 45.60757 6.733834 -20.18658      11.25715 
1 1 1 11 19 22 o 63.28001 3.671903 40.70055       4.646027      33.28306       6.111105      48.11805       6.999504      57.45300 5.318352 69.10703 5.064249 -11.65403      7.343806 
1 1 1 11 19 23 o 66.46713 3.620252 44.67497       4.787009      49.98836       6.773507      39.36158       6.765715      70.46384 4.806371 62.47042 5.415135 7.993427       7.240503 
1 1 1 11 19 24 o 119.5163 2.973191 143.8866       6.995253      133.2598       11.51234      154.5842       7.955913      114.9271 5.008543 124.1055 3.205302 -9.178474      5.946382 
1 1 1 11 19 25 f 149.0155 2.920431 223.5165       8.763549      233.6474       14.34615      213.3148       10.06710      152.2762 4.710568 145.7548 3.453436 6.521378       5.840863 
1 1 1 11 19 26 o 116.0148 3.291357 135.9519       7.566265      124.9709       11.56902      146.9329       9.748297      111.1999 5.201900 120.8297 4.033901 -9.629745      6.582714 
1 1 1 11 19 27 o 92.46228 3.704560 86.64365       6.860647      92.38211       10.13795      80.90520       9.245295      95.51284 5.307111 89.41171 5.170070 6.101128       7.409120 
1 1 1 11 19 28 o 41.08736 7.084472 18.64645       5.829850      22.72005       8.664365      14.57994       7.800055      45.64105 9.774969 36.53366 10.25714 9.107395       14.16894 
1 1 1 11 19 29 o 47.20109 5.415803 24.27864       4.901778      33.81440       7.552096      14.74288       6.249961      57.46142 6.571449 36.94077 8.610443 20.52065       10.83161 
1 1 1 11 19 30 o 38.61699 5.872378 16.33690       4.444118      20.21921       6.795470      12.44750       5.729249      43.39822 8.129785 33.83575 8.476195 9.562462       11.74476 
1 1 1 11 19 31 o 24.43332 6.010571 3.418988       4.332891      -3.477082      6.574432      10.31506       5.647069      18.09446 8.236583 30.77217 8.755944 -12.67770      12.02114 
1 1 1 11 19 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 19 33 o 64.88342 6.301446 46.11312       7.778800      45.67389       13.65895      46.55237       7.459997      62.67490 11.31037 67.09195 5.559532 -4.417053      12.60289 
1 1 1 11 19 34 o 73.27574 5.393445 57.85217       7.729208      55.12463       13.26222      60.57971       7.927575      70.10341 9.459039 76.44807 5.184941 -6.344658      10.78689 
1 1 1 11 19 35 o 75.27878 3.153344 58.29142       4.745210      57.77424       6.952037      58.80858       6.461080      74.85658 4.643571 75.70098 4.267501 -0.8443985     6.306688 
1 1 1 11 19 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 19 37 o 61.19817 3.329463 40.02044       4.088475      47.42376       6.264131      32.61712       5.255295      66.92872 4.679703 55.46762 4.737264 11.46110       6.658926 
1 1 1 11 19 38 o 42.45420 4.210411 20.34674       3.594684      25.45467       5.646361      15.23880       4.451202      47.91322 5.892278 36.99519 6.015922 10.91804       8.420822 
1 1 1 11 19 39 o 32.55795 5.572204 13.60936       3.625856      15.54343       4.922323      11.68237       5.325432      35.61927 7.161506 29.49663 8.538773 6.122641       11.14441 
1 1 1 11 20 0  o 293.2527 3.910388 860.7689       22.92550      860.7689       22.92550      860.7689       22.92550      293.2527 3.910388 293.2527 3.910388 -0.000000      0.000000 
1 1 1 11 20 1  f 206.0396 2.471389 424.8586       10.18754      417.5615       14.22571      432.0847       14.57994      204.2790 3.481931 207.8002 3.508162 -3.521179      4.942777 
1 1 1 11 20 2  o 315.0778 2.871014 993.9578       18.08677      995.3747       25.60345      991.8326       25.56803      315.3586 4.059418 314.7969 4.061036 0.5617371      5.742028 
1 1 1 11 20 3  o 80.00635 3.365532 64.08655       5.385650      63.59063       7.601687      64.58955       7.630026      79.69440 4.769274 80.31831 4.749867 -0.6239090     6.731063 
1 1 1 11 20 4  o 190.1200 2.466276 361.7355       9.379901      355.5011       13.14178      367.9698       13.38265      188.4816 3.486223 191.7584 3.489458 -3.276764      4.932552 
1 1 1 11 20 5  o 158.2682 2.482289 250.6502       7.856731      248.4540       11.03059      252.9173       11.19354      157.5641 3.500352 158.9723 3.520594 -1.408234      4.964579 
1 1 1 11 20 6  o 77.38866 3.440990 61.15356       5.223415      44.44118       7.119940      77.85885       7.644195      66.59763 5.345491 88.17969 4.334442 -21.58205      6.881981 
1 1 1 11 20 7  o 69.36871 3.651800 48.38017       5.050553      53.82108       7.240376      42.93218       7.042011      73.29095 4.939476 65.44649 5.379976 7.844460       7.303600 
1 1 1 11 20 8  o 106.5834 3.138765 114.5566       6.670782      96.42028       9.039845      132.6222       9.812057      98.09963 4.607481 115.0671 4.263625 -16.96745      6.277530 
1 1 1 11 20 9  o 76.97495 3.815014 59.50287       5.869523      55.09629       8.133026      63.90235       8.465999      74.11924 5.486448 79.83065 5.302474 -5.711411      7.630029 
1 1 1 11 20 10 o 147.8488 3.296224 219.1241       9.705790      212.1105       15.28839      226.1378       11.95867      145.4384 5.255968 150.2593 3.979344 -4.820877      6.592448 
1 1 1 11 20 11 o 74.15782 3.804707 55.16714       5.645652      54.10446       7.849646      56.22982       8.111773      73.44505 5.343890 74.87060 5.417195 -1.425545      7.609413 
1 1 1 11 20 12 o 90.28273 3.720482 81.82619       6.671490      78.77983       10.87473      84.80168       7.736294      88.56952 6.139096 91.99594 4.204693 -3.426422      7.440963 
1 1 1 11 20 13 o 83.28139 3.172863 69.53455       5.285758      68.22390       7.346645      70.84518       7.601687      82.49800 4.452620 84.06477 4.521328 -1.566765      6.345726 
1 1 1 11 20 14 o 207.5467 2.474645 431.4471       10.27255      430.8095       14.44533      432.0847       14.60828      207.3949 3.482566 207.6984 3.516704 -0.3034668     4.949290 
1 1 1 11 20 15 o 182.7379 2.431653 334.4601       8.891070      333.0432       12.41916      335.9478       12.71671      182.3442 3.405417 183.1317 3.472013 -0.7874756     4.863306 
1 1 1 11 20 16 o 118.4983 2.606593 140.6985       6.177700      139.8484       8.536844      141.6195       8.933578      118.1307 3.613306 118.8660 3.757837 -0.7352829     5.213186 
1 1 1 11 20 17 o 199.6083 2.434603 399.5668       9.719957      415.9320       13.97067      383.1307       13.51726      203.7088 3.429078 195.5078 3.456963 8.201065       4.869206 
1 1 1 11 20 18 o 94.15349 2.895969 88.98154       5.454370      89.19408       7.630026      88.76900       7.792970      94.27008 4.046896 94.03689 4.143571 0.2331924      5.791938 
1 1 1 11 20 19 o 139.4973 2.481538 195.3201       6.918032      206.5845       9.875818      184.0558       9.691620      143.5310 3.440309 135.4636 3.577205 8.067398       4.963076 
1 1 1 11 20 20 o 18.20291 5.735548 -2.500835      4.269839      -4.069347      6.048761      -0.9316140     6.028216      17.14911 7.834279 19.25670 8.379146 -2.107584      11.47110 
1 1 1 11 20 21 o 115.0597 2.974926 133.4015       6.874816      120.4368       8.912323      146.3661       10.47092      109.4746 4.070498 120.6449 4.339561 -11.17027      5.949853 
1 1 1 11 20 22 o 75.39243 3.737947 57.60422       5.654862      49.35784       7.360813      65.85059       8.586436      69.97110 5.259896 80.81376 5.312484 -10.84266      7.475894 
1 1 1 11 20 23 o 95.19583 3.279915 91.31944       6.246420      91.03606       8.288886      91.60282       9.344479      95.09066 4.358412 95.30099 4.902614 -0.2103348     6.559831 
1 1 1 11 20 24 o 58.59748 4.674728 34.88417       5.418948      37.20080       6.581517      32.56753       8.607689      60.68691 5.422518 56.50805 7.616340 4.178867       9.349456 
1 1 1 11 20 25 o 177.0013 2.912998 315.4736       10.35048      322.5581       17.40666      308.3182       11.21479      178.7660 4.868561 175.2367 3.199898 3.529282       5.825996 
1 1 1 11 20 26 o 70.93214 4.148065 51.13605       5.931159      54.60038       9.535762      47.67172       7.056888      73.21546 6.512123 68.64882 5.139846 4.566643       8.296129 
1 1 1 11 20 27 o 46.54689 7.418491 24.25739       6.850729      31.44109       10.54176      17.07369       8.749379      53.74172 10.17756 39.35206 10.79598 14.38966       14.83698 
1 1 1 11 20 28 o 65.77816 4.002234 44.10112       5.306304      47.50169       8.458915      40.70055       6.412906      68.20403 6.201183 63.35229 5.061306 4.851746       8.004467 
1 1 1 11 20 29 o 25.76763 6.352385 5.100852       4.612730      12.47583       7.155363      -2.276964      5.819932      33.86381 9.928368 17.67146 7.927085 16.19235       12.70477 
1 1 1 11 20 30 o 57.71722 4.314044 34.30323       5.000961      37.23623       7.608772      31.36316       6.488710      60.13411 6.326503 55.30033 5.866791 4.833771       8.628087 
1 1 1 11 20 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 20 32 o 60.68638 4.036794 38.30599       4.943576      44.54036       7.743378      32.06453       6.145111      65.59507 5.902409 55.77769 5.508574 9.817383       8.073588 
1 1 1 11 20 33 f 79.65184 3.247388 65.15631       5.192243      69.95962       7.906322      60.36009       6.734542      82.50161 4.791616 76.80208 4.384349 5.699532       6.494775 
1 1 1 11 20 34 o 105.4250 3.081802 114.7692       6.461080      128.4423       9.153197      101.0252       9.124859      111.9219 4.089099 98.92813 4.611863 12.99380       6.163603 
1 1 1 11 20 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 20 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 20 37 o 18.23590 5.468809 1.778922       3.470705      2.849393       5.268756      0.7084518      4.519922      19.68312 8.163269 16.78869 7.279597 2.894430       10.93762 
1 1 1 11 20 38 o 43.86098 4.053826 21.70696       3.553594      25.35549       5.326849      18.05844       4.705537      47.69354 5.584456 40.02843 5.877743 7.665108       8.107652 
1 1 1 11 20 39 o 19.58307 5.501200 4.354145       3.237624      5.054096       4.561012      3.654194       4.596435      20.35817 7.869020 18.80797 7.689689 1.550200       11.00240 
1 1 1 11 21 0  o 13.02421 8.834352 -2.840183      6.603478      -2.840183      6.603478      -2.840183      6.603478      13.02421 8.834352 13.02421 8.834352 -0.000000      0.000000 
1 1 1 11 21 1  o 301.2806 2.839100 908.9437       17.10911      918.8620       24.37783      899.0253       24.00943      302.9236 4.023759 299.6377 4.006411 3.285889       5.678201 
1 1 1 11 21 2  o 229.2751 2.559620 526.2380       11.73905      531.9056       16.74072      520.6412       16.45733      230.5012 3.631373 228.0490 3.608289 2.452148       5.119240 
1 1 1 11 21 3  o 44.57394 5.579258 20.82140       4.733166      14.28239       6.754380      27.36749       6.633234      36.92710 9.174720 52.22079 6.351143 -15.29369      11.15852 
1 1 1 11 21 4  o 142.8316 2.758715 204.3884       7.856731      195.6035       11.59735      213.1731       10.61261      139.7475 4.149395 145.9156 3.636556 -6.168091      5.517429 
1 1 1 11 21 5  o 94.97323 3.401670 90.39845       6.462497      90.11507       9.309056      90.68183       8.961915      94.82006 4.908801 95.12640 4.710530 -0.3063354     6.803339 
1 1 1 11 21 6  o 155.9201 2.829754 243.4949       8.820225      245.1243       12.62461      241.8654       12.33415      156.4398 4.034974 155.4005 3.968503 1.039337       5.659509 
1 1 1 11 21 7  o 120.2197 3.064991 144.8075       7.367898      142.8239       10.41424      146.7912       10.42841      119.3948 4.361263 121.0445 4.307676 -1.649727      6.129982 
1 1 1 11 21 8  o 117.2645 3.094640 138.0064       7.247461      126.1044       10.08835      149.9792       10.40716      112.1782 4.496575 122.3509 4.252997 -10.17266      6.189279 
1 1 1 11 21 9  o 181.8984 2.623574 331.4137       9.557014      323.6208       12.49000      339.2067       14.47367      179.7764 3.473762 184.0205 3.932624 -4.244141      5.247147 
1 1 1 11 21 10 o 111.9135 3.023786 125.6085       6.795470      132.5513       10.47092      118.6657       8.664365      114.9931 4.552847 108.8340 3.980541 6.159050       6.047572 
1 1 1 11 21 11 o 34.23277 6.416236 12.29164       4.498669      14.52326       6.606313      10.05293       6.108272      37.18554 8.972775 31.27999 9.173966 5.905544       12.83247 
1 1 1 11 21 12 o 308.6957 2.875213 954.9930       17.75380      951.4508       24.90916      958.5353       25.29881      308.1271 4.042027 309.2642 4.090162 -1.137115      5.750427 
1 1 1 11 21 13 o 214.1098 2.517003 459.2893       10.77555      463.3275       15.23880      455.1803       15.24588      215.0612 3.542897 213.1585 3.576185 1.902740       5.034007 
1 1 1 11 21 14 o 103.6538 2.840461 107.9680       5.873065      117.6738       8.359732      98.19141       8.253463      108.3510 3.857708 98.95653 4.170247 9.394493       5.680922 
1 1 1 11 21 15 o 72.83145 3.395701 53.27557       4.947119      52.19164       6.905988      54.35950       7.084518      72.09128 4.789753 73.57163 4.814708 -1.480354      6.791402 
1 1 1 11 21 16 o 45.87156 5.364810 21.65029       4.808262      23.66229       6.923699      19.64537       6.673616      48.38182 7.155269 43.36129 7.995427 5.020538       10.72962 
1 1 1 11 21 17 o 83.97937 3.480262 71.19940       5.878025      61.72031       7.509589      80.76351       9.046929      78.35423 4.792077 89.60451 5.048256 -11.25028      6.960524 
1 1 1 11 21 18 o 99.11797 3.212550 98.75818       6.346311      104.0716       8.522675      93.51564       9.401155      101.8040 4.185825 96.43194 4.874503 5.372070       6.425100 
1 1 1 11 21 19 o 52.21589 5.024473 27.68630       5.192243      30.16588       6.741627      25.21380       7.899237      54.64193 6.168914 49.78985 7.932579 4.852077       10.04895 
1 1 1 11 21 20 o 55.30360 4.925102 31.32774       5.251753      37.56211       6.619773      25.08628       8.154280      61.01995 5.424270 49.58725 8.222155 11.43270       9.850204 
1 1 1 11 21 21 o 217.8264 2.776204 477.0714       12.16412      450.7879       15.02626      503.2841       19.12111      211.9210 3.545251 223.7318 4.273222 -11.81082      5.552407 
1 1 1 11 21 22 o 67.89887 3.907677 46.80741       5.282925      40.62263       7.339560      52.99928       7.601687      63.35482 5.792425 72.44292 5.246674 -9.088108      7.815355 
1 1 1 11 21 23 o 52.17160 5.343338 28.17513       5.339601      30.54844       6.487293      25.80181       8.480167      54.93745 5.904254 49.40575 8.907570 5.531700       10.68668 
1 1 1 11 21 24 o 165.2353 2.883752 275.0918       9.592437      259.0808       11.59735      291.0320       15.28131      160.5484 3.611793 169.9221 4.496561 -9.373688      5.767505 
1 1 1 11 21 25 o 57.64134 5.223110 34.28907       5.939660      40.48802       8.366816      28.09011       8.430575      63.02362 6.637842 52.25907 8.066137 10.76455       10.44622 
1 1 1 11 21 26 o 42.99218 8.101136 20.87099       7.219123      15.86224       8.565183      25.87974       11.61861      37.99897 10.77431 47.98539 12.10074 -9.986423      16.20227 
1 1 1 11 21 27 o 122.3255 2.974418 151.1128       7.226208      144.4533       11.42733      157.8430       8.855647      119.4432 4.783584 125.2079 3.536378 -5.764702      5.948836 
1 1 1 11 21 28 o 44.70690 5.641888 21.18271       4.850770      18.92983       7.594603      23.42850       6.033884      41.61242 9.353590 47.80138 6.311413 -6.188957      11.28378 
1 1 1 11 21 29 o 54.21690 4.702888 30.50593       4.953495      25.61053       7.700871      35.40842       6.237210      49.52755 7.774331 58.90624 5.294184 -9.378696      9.405775 
1 1 1 11 21 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 21 31 o 46.34037 5.371186 22.74130       5.004504      25.19254       7.700871      20.28297       6.397319      48.75055 7.898240 43.93019 7.281233 4.820358       10.74237 
1 1 1 11 21 32 o 87.80612 3.333160 79.06322       5.856771      80.40928       8.798972      77.78800       7.736294      88.40697 4.976401 87.20528 4.435679 1.201683       6.666320 
1 1 1 11 21 33 o 66.01115 3.669672 45.73056       4.859271      53.33225       7.410406      38.12888       6.290343      71.54144 5.179101 60.48086 5.200277 11.06058       7.339344 
1 1 1 11 21 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 21 35 o 26.20660 6.313389 7.984251       3.968038      8.338477       5.794427      7.622942       5.423198      26.68855 9.075017 25.72466 8.779500 0.9638901      12.62678 
1 1 1 11 21 36 o 27.51491 7.465845 9.989170       6.022548      16.79031       10.39299      3.195117       6.082767      34.04440 12.10545 20.98542 8.741479 13.05897       14.93169 
1 1 1 11 21 37 o 28.16029 7.455544 11.80989       5.913447      15.57177       10.35756      8.048012       5.713664      31.21118 11.91061 25.10940 8.970942 6.101782       14.91109 
1 1 1 11 21 38 o 29.93362 5.668796 11.92324       3.508253      14.56577       5.324015      9.280719       4.570222      33.35569 8.059031 26.51154 7.974521 6.844152       11.33759 
1 1 1 11 22 0  o 132.3255 4.357703 175.8377       11.50526      175.8377       11.50526      175.8377       11.50526      132.3255 4.357703 132.3255 4.357703 0.000000       0.000000 
1 1 1 11 22 1  f 122.3953 3.187255 150.1209       7.800055      148.4207       11.17937      151.8212       10.88182      121.6973 4.593106 123.0933 4.420152 -1.396011      6.374509 
1 1 1 11 22 2  o 106.5991 3.233347 114.0607       6.893944      104.9217       9.443663      123.1998       10.04585      102.3196 4.614789 110.8787 4.530107 -8.559143      6.466694 
1 1 1 11 22 3  o 165.2780 2.879457 273.6749       9.521592      272.7539       13.49601      274.5251       13.42516      165.0094 4.089466 165.5467 4.054796 -0.5372772     5.758915 
1 1 1 11 22 4  o 172.3321 3.267967 297.8331       11.21479      311.0103       14.47367      284.5851       17.13037      176.1978 4.107222 168.4665 5.084206 7.731339       6.535933 
1 1 1 11 22 5  o 173.5138 2.508198 301.4463       8.699788      302.2964       12.27747      300.6670       12.34123      173.7492 3.533101 173.2784 3.561098 0.4707794      5.016396 
1 1 1 11 22 6  o 174.0789 2.506509 303.4299       8.728126      301.3754       12.19954      305.5552       12.48292      173.4815 3.516093 174.6764 3.573155 -1.194946      5.013018 
1 1 1 11 22 7  o 77.80026 3.407808 60.69307       5.304887      60.67181       7.495420      60.71431       7.502505      77.78671 4.817931 77.81382 4.820805 -0.2710724E-01 6.815616 
1 1 1 11 22 8  o 217.2233 2.547770 472.6082       11.06602      472.4665       15.55760      472.7499       15.74888      217.1928 3.581518 217.2538 3.624535 -0.6101990E-01 5.095541 
1 1 1 11 22 9  o 88.66803 3.188007 78.92152       5.643527      83.31393       7.899237      74.45828       8.062181      91.16722 4.332280 86.16883 4.678131 4.998390       6.376014 
1 1 1 11 22 10 o 308.8815 2.892654 956.4099       17.88132      929.4888       24.63995      983.3311       25.90808      304.5410 4.045424 313.2220 4.135739 -8.680908      5.785308 
1 1 1 11 22 11 o 71.30678 3.926235 51.07228       5.602437      51.57529       8.423491      50.56929       7.389152      71.63896 5.879128 70.97459 5.205491 0.6643677      7.852469 
1 1 1 11 22 12 o 44.89717 5.932114 20.82848       5.160363      23.47101       6.747295      18.18596       7.807138      48.26015 6.990545 41.53419 9.586041 6.725952       11.86423 
1 1 1 11 22 13 o 85.12470 3.721928 72.82884       6.335684      73.11222       8.373900      72.54546       9.507423      85.31832 4.907445 84.93108 5.597140 0.3872375      7.443856 
1 1 1 11 22 14 o 79.59958 3.749307 63.74649       5.955245      65.84351       7.863815      61.64947       8.940661      80.94627 4.857429 78.25289 5.712671 2.693382       7.498615 
1 1 1 11 22 15 o 85.04496 3.542177 72.75800       6.039551      69.87460       7.849646      75.66265       9.181536      83.38138 4.707074 86.70854 5.294481 -3.327164      7.084354 
1 1 1 11 22 16 o 129.7053 3.014085 168.9658       7.828392      163.3690       10.40716      174.6334       11.70362      127.5666 4.079106 131.8440 4.438437 -4.277351      6.028170 
1 1 1 11 22 17 o 26.73473 6.883850 6.091268       4.823140      4.215288       6.084183      7.970083       7.488335      24.04474 9.142385 29.42471 10.29399 -5.379969      13.76770 
1 1 1 11 22 18 o 56.97572 4.206167 32.80132       4.787717      33.70813       6.578683      31.89450       6.957705      57.78784 5.692100 56.16360 6.194140 1.624241       8.412334 
1 1 1 11 22 19 o 148.0969 2.557719 220.1868       7.573349      223.0915       10.49926      217.2822       10.91724      149.0888 3.521142 147.1051 3.710696 1.983719       5.115438 
1 1 1 11 22 20 o 152.7312 2.564681 234.2850       7.828392      243.2115       10.91016      225.4293       11.22188      155.6508 3.504690 149.8116 3.745330 5.839218       5.129362 
1 1 1 11 22 21 o 100.9377 3.005259 102.5838       6.059388      105.1342       8.338477      99.96254       8.798972      102.2358 4.078060 99.63959 4.415400 2.596260       6.010518 
1 1 1 11 22 22 o 117.7436 3.023484 139.5650       7.119940      137.5813       10.25838      141.5487       9.868733      116.8860 4.388198 118.6011 4.160474 -1.715034      6.046968 
1 1 1 11 22 23 o 132.4360 3.033599 176.6879       8.012589      181.6470       10.31506      171.7287       12.26330      134.3896 3.837744 130.4825 4.699214 3.907135       6.067198 
1 1 1 11 22 24 o 198.9054 2.774543 398.4333       11.03768      396.7330       15.28839      400.0627       15.92599      198.5153 3.850683 199.2956 3.995572 -0.7803040     5.549087 
1 1 1 11 22 25 o 37.10520 7.919302 14.87040       6.467456      17.52001       8.784801      12.22079       9.493254      39.84849 10.76728 34.36191 11.61581 5.486584       15.83860 
1 1 1 11 22 26 o 22.41641 6.645399 1.398484       5.028590      0.6667948      6.531926      2.129606       7.644195      21.07604 8.932503 23.75678 9.841531 -2.680748      13.29080 
1 1 1 11 22 27 o 19.30989 5.864978 -0.8558097     4.247169      -3.926948      6.283259      2.214620       5.716498      17.42908 7.971541 21.19069 8.605023 -3.761620      11.72996 
1 1 1 11 22 28 o 97.00683 3.207066 95.71184       6.148653      87.13957       9.486169      104.2133       7.821308      92.47234 5.129193 101.5413 3.851294 -9.068970      6.414132 
1 1 1 11 22 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 22 30 o 55.25547 4.576760 31.97243       5.115022      37.08745       8.104689      26.85032       6.240043      59.59834 6.799425 50.91260 6.128192 8.685741       9.153520 
1 1 1 11 22 31 o 29.74415 6.758477 9.925409       4.659488      13.26222       7.367898      6.587184       5.704454      34.00153 10.10471 25.48678 8.977912 8.514751       13.51695 
1 1 1 11 22 32 o 27.43935 6.838504 8.189702       4.703412      8.225125       7.219123      8.161365       6.033175      27.70798 10.06535 27.17073 9.260086 0.5372505      13.67701 
1 1 1 11 22 33 o 20.12194 6.260783 0.1642900      4.883358      0.3269505E-01  7.233293      0.2958494      6.560264      20.44451 9.027444 19.79937 8.677261 0.6451359      12.52157 
1 1 1 11 22 34 o 91.84091 3.308538 89.19408       6.082767      91.53197       8.954830      86.78535       8.232210      92.91365 4.818900 90.76817 4.534745 2.145485       6.617077 
1 1 1 11 22 35 o 26.98799 6.117001 8.628942       3.932616      6.144402       5.987126      11.10852       5.101561      23.75513 9.058381 30.22085 8.222928 -6.465717      12.23400 
1 1 1 11 22 36 o 49.64366 4.176458 27.39583       4.157195      28.68521       6.395903      26.10645       5.312680      50.43515 6.340720 48.85217 5.437507 1.582977       8.352916 
1 1 1 11 22 37 o 24.98635 6.887848 9.238212       5.255295      12.34123       9.401155      6.133776       4.697035      27.76363 11.13258 22.20906 8.113904 5.554569       13.77570 
1 1 1 11 23 0  o 65.54812 6.487324 44.32074       8.352647      44.32074       8.352647      44.32074       8.352647      65.54812 6.487324 65.54812 6.487324 -0.000000      0.000000 
1 1 1 11 23 1  o 87.22350 3.747942 76.37110       6.536176      76.44194       9.117774      76.22942       9.372816      87.28846 5.222783 87.15852 5.376879 0.1299362      7.495885 
1 1 1 11 23 2  o 155.0194 2.986613 240.8736       9.259464      249.7292       13.09219      232.0888       13.08510      157.8642 4.146663 152.1746 4.299373 5.689590       5.973225 
1 1 1 11 23 3  o 220.0388 2.977618 485.5020       13.10636      508.7392       18.89441      462.2648       18.16470      225.3096 4.192987 214.7680 4.228913 10.54164       5.955236 
1 1 1 11 23 4  o 128.8929 2.973918 166.6987       7.615856      178.2465       10.08127      155.1509       11.42733      133.3900 3.778870 124.3957 4.593136 8.994293       5.947836 
1 1 1 11 23 5  o 100.2442 3.238356 100.8835       6.448328      108.0389       8.458915      93.72817       9.734127      103.8316 4.073380 96.65672 5.035412 7.174927       6.476712 
1 1 1 11 23 6  o 225.7992 2.585156 510.8646       11.67529      523.6167       16.73363      498.0416       16.28731      228.6255 3.659617 222.9730 3.652305 5.652496       5.170312 
1 1 1 11 23 7  o 196.2129 2.531496 385.8228       9.932493      399.4251       14.26822      372.1497       13.82898      199.6827 3.572722 192.7430 3.587414 6.939743       5.062992 
1 1 1 11 23 8  o 91.96260 3.226053 84.94337       5.955245      77.71716       7.743378      92.24043       9.054014      88.03582 4.397857 95.88937 4.721073 -7.853554      6.452106 
1 1 1 11 23 9  o 235.4102 3.421554 556.1346       16.11019      555.6387       24.75331      556.7014       20.61595      235.2209 5.261715 235.5995 4.375210 -0.3786163     6.843107 
1 1 1 11 23 10 o 68.04154 4.414337 46.62321       5.983583      48.60688       7.835476      44.63955       9.046929      69.53118 5.634506 66.55190 6.796898 2.979279       8.828673 
1 1 1 11 23 11 o 124.0600 3.184773 154.5842       7.892153      159.8267       10.89599      149.2708       11.42024      126.1984 4.317006 121.9216 4.683437 4.276840       6.369547 
1 1 1 11 23 12 o 78.69693 4.100991 62.42169       6.428492      66.03479       8.628942      58.80858       9.528677      81.01988 5.325201 76.37399 6.238169 4.645897       8.201982 
1 1 1 11 23 13 o 179.2691 2.801397 322.7706       9.989170      342.1822       13.23388      303.4299       14.97667      184.7123 3.582296 173.8259 4.307952 10.88640       5.602793 
1 1 1 11 23 14 o 37.97304 6.220882 15.26005       4.641777      16.03226       6.373940      14.48075       6.750128      38.97877 8.415403 36.96731 9.163977 2.011459       12.44176 
1 1 1 11 23 15 o 135.0497 2.612692 182.9931       7.058305      181.3637       9.719957      184.6225       10.23713      134.4580 3.614495 135.6414 3.773601 -1.183319      5.225384 
1 1 1 11 23 16 o 131.4614 2.653621 173.5707       6.981792      166.4862       9.535762      180.6552       10.20170      128.7842 3.702224 134.1385 3.802676 -5.354279      5.307241 
1 1 1 11 23 17 o 120.0051 2.760874 144.7367       6.621899      149.0583       9.301972      140.3443       9.429493      121.8241 3.817788 118.1860 3.989260 3.638107       5.521748 
1 1 1 11 23 18 o 50.16870 4.901296 25.62470       4.898236      22.40125       6.813890      28.84815       7.037760      46.96746 7.253841 53.36994 6.593375 -6.402481      9.802591 
1 1 1 11 23 19 o 28.73758 7.043978 7.027842       5.364397      13.48892       8.203872      0.5681075      6.911656      35.74424 10.67071 21.73092 9.198176 14.01331       14.08796 
1 1 1 11 23 20 o 62.05996 4.174456 38.97902       5.186575      38.00135       6.927242      39.94960       7.722124      61.31485 5.648911 62.80507 6.147692 -1.490223      8.348911 
1 1 1 11 23 21 o 44.63750 5.943120 21.11186       5.115730      19.73038       6.993836      22.49334       7.467082      43.14816 8.404305 46.12684 8.405376 -2.978683      11.88624 
1 1 1 11 23 22 o 96.06306 3.362003 93.30310       6.480209      83.95154       8.487252      102.7255       9.797889      91.23843 4.651139 100.8877 4.855839 -9.649261      6.724007 
1 1 1 11 23 23 o 58.58798 6.540954 36.44984       7.226208      42.24498       8.990252      30.65471       11.32106      64.23544 6.997892 52.94051 11.05286 11.29493       13.08191 
1 1 1 11 23 24 o 19.51042 6.423802 -7.353730      6.122441      -11.72488      7.800055      -2.986124      9.443663      16.32743 7.888300 22.69341 10.14079 -6.365982      12.84760 
1 1 1 11 23 25 o 82.63731 3.781933 69.37160       6.247128      69.49912       8.033843      69.23699       9.571183      82.82971 4.849615 82.44492 5.804593 0.3847961      7.563866 
1 1 1 11 23 26 o 64.49045 4.514101 43.60521       5.551428      56.59113       7.573349      30.61220       8.118857      74.61440 5.074992 54.36649 7.466784 20.24791       9.028201 
1 1 1 11 23 27 o 104.9231 3.121398 111.6520       6.541844      113.4940       8.721042      109.8100       9.755382      105.8835 4.118224 103.9626 4.691772 1.920883       6.242796 
1 1 1 11 23 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 23 29 o 44.79176 5.765857 21.66446       5.058346      22.48626       7.984251      20.83557       6.208871      44.95905 9.196919 44.62447 6.956801 0.3345757      11.53171 
1 1 1 11 23 30 o 36.71412 6.156229 14.86332       4.801178      8.699788       7.353730      21.02685       6.172032      28.79079 10.18823 44.63745 6.913514 -15.84666      12.31246 
1 1 1 11 23 31 o 45.07647 5.547822 22.54293       4.943576      25.51135       7.658363      19.56744       6.254212      48.28260 7.930769 41.87033 7.759912 6.412270       11.09564 
1 1 1 11 23 32 o 39.28873 6.781014 18.19304       5.298511      18.08677       7.991336      18.29931       6.964081      38.82892 10.16980 39.74853 8.972385 -0.9196129     13.56203 
1 1 1 11 23 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 23 34 o 19.57347 5.994627 1.568512       4.327932      1.346058       6.283259      1.790258       5.953829      19.58285 8.537843 19.56409 8.417092 0.1875114E-01  11.98925 
1 1 1 11 23 35 o 20.91407 5.834570 2.947159       4.024714      -2.260670      5.775299      8.154280       5.606688      16.32112 7.536706 25.50703 8.908810 -9.185913      11.66914 
1 1 1 11 23 36 o 14.89704 4.933743 -2.687157      3.688200      -2.387482      5.576224      -2.986833      4.828807      15.61259 7.284328 14.18149 6.656264 1.431099       9.867487 
1 1 1 11 23 37 f 23.18773 5.939996 7.176617       3.756920      4.795510       5.693827      9.564099       4.902486      20.33782 8.463649 26.03765 8.336718 -5.699831      11.87999 
1 1 1 11 24 0  o 283.7006 3.963511 806.2181       22.47918      806.2181       22.47918      806.2181       22.47918      283.7006 3.963511 283.7006 3.963511 -0.000000      0.000000 
1 1 1 11 24 1  o 75.91167 3.537623 57.84509       5.371481      55.71265       7.502505      59.98461       7.686701      74.50802 5.034696 77.31531 4.971009 -2.807289      7.075245 
1 1 1 11 24 2  o 144.3089 2.603033 208.7099       7.509589      215.6527       10.72596      201.7671       10.52051      146.7118 3.655453 141.9061 3.706856 4.805710       5.206066 
1 1 1 11 24 3  f 39.64239 6.435250 15.94725       5.482000      6.555304       8.529759      25.33423       6.887568      29.12269 10.88656 50.16209 6.865313 -21.03940      12.87050 
1 1 1 11 24 4  o 143.3789 2.775843 206.0178       7.962997      208.1431       11.97992      203.9633       10.49926      144.0861 4.157209 142.6717 3.679515 1.414352       5.551687 
1 1 1 11 24 5  o 119.8066 3.764437 144.1699       9.025676      143.8157       10.92433      144.5242       14.36032      119.7293 4.562092 119.8839 5.989261 -0.1545334     7.528873 
1 1 1 11 24 6  o 223.5835 3.709594 502.2923       16.56360      518.2325       22.61378      486.3522       24.20780      227.1827 4.977004 219.9844 5.502163 7.198349       7.419188 
1 1 1 11 24 7  o 86.21765 4.775699 75.09589       8.140111      81.89703       10.38590      68.27350       12.53251      90.23145 5.755147 82.20385 7.622826 8.027596       9.551397 
1 1 1 11 24 8  o 133.3469 4.233384 179.0966       11.20771      183.6307       11.34231      174.4917       19.33365      135.2816 4.192111 131.4122 7.356110 3.869446       8.466768 
1 1 1 11 24 9  f 175.7641 3.463826 310.4436       12.14995      314.4818       14.62245      306.4762       19.41158      177.0231 4.130095 174.5051 5.561895 2.518051       6.927652 
1 1 1 11 24 10 o 212.0176 3.059001 451.4255       12.97175      460.5645       18.37016      442.2864       18.31348      214.1715 4.288655 209.8637 4.363184 4.307785       6.118001 
1 1 1 11 24 11 o 253.3484 2.959652 644.5494       15.01918      633.4268       19.28406      655.6013       23.02468      251.2509 3.837610 255.4460 4.506762 -4.195114      5.919303 
1 1 1 11 24 12 o 140.6692 2.680092 198.5790       7.537927      203.6090       10.72596      193.5490       10.59844      142.4542 3.764705 138.8841 3.815569 3.570068       5.360184 
1 1 1 11 24 13 o 168.1173 2.605785 283.5933       8.763549      279.2009       12.12161      287.9857       12.66003      166.8231 3.633073 169.4115 3.736475 -2.588348      5.211570 
1 1 1 11 24 14 o 104.4145 2.974842 109.5266       6.212414      110.8727       8.763549      108.2514       8.806056      105.0433 4.171397 103.7856 4.242425 1.257690       5.949683 
1 1 1 11 24 15 o 40.71819 6.145370 17.61211       4.859271      20.01376       6.742336      15.21046       7.000212      43.65968 8.021355 37.77670 9.312365 5.882984       12.29074 
1 1 1 11 24 16 o 83.00789 3.459713 69.44244       5.733500      73.11222       7.955913      65.75850       8.253463      85.23333 4.667138 80.78244 5.108451 4.450890       6.919425 
1 1 1 11 24 17 o 67.59764 4.010622 46.60905       5.364397      37.54086       7.417490      55.67723       7.757547      60.90564 6.089330 74.28964 5.221150 -13.38400      8.021243 
1 1 1 11 24 18 o 84.11207 3.430795 71.34109       5.767506      72.75800       8.048012      69.93128       8.267632      84.96165 4.736261 83.26248 4.964801 1.699173       6.861590 
1 1 1 11 24 19 o 113.3520 2.973789 129.3633       6.747295      124.6167       9.181536      134.0391       9.889987      111.3000 4.124678 115.4040 4.284942 -4.103958      5.947578 
1 1 1 11 24 20 o 38.59895 6.811616 16.00393       5.269464      17.55543       7.083809      14.45242       7.800055      40.49928 8.982812 36.69861 10.24215 3.800671       13.62323 
1 1 1 11 24 21 o 74.85892 4.330980 57.45544       6.339226      68.92527       8.671450      45.97852       9.252379      82.55775 5.251748 67.16010 6.888301 15.39764       8.661960 
1 1 1 11 24 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 24 23 o 96.03864 3.981138 93.94070       7.672533      88.27309       9.875818      99.60831       11.75322      93.23397 5.296255 98.84332 5.945377 -5.609344      7.962275 
1 1 1 11 24 24 o 80.27763 3.913019 65.58846       6.264839      68.34435       8.416408      62.82551       9.280719      82.06355 5.127981 78.49171 5.911910 3.571846       7.826038 
1 1 1 11 24 25 o 74.50300 4.598490 57.04453       6.806805      58.53937       7.785885      55.54262       11.16520      75.86015 5.131736 73.14584 7.632150 2.714310       9.196980 
1 1 1 11 24 26 o 30.53442 7.072982 9.698705       5.170990      5.297094       6.778466      14.09819       7.807138      25.39209 9.651316 35.67676 10.34217 -10.28468      14.14596 
1 1 1 11 24 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 24 28 o 37.03118 6.788889 15.57885       5.119273      12.66712       6.470999      18.49059       7.934660      33.65461 9.307296 40.40776 9.885865 -6.753151      13.57778 
1 1 1 11 24 29 f 28.59117 6.553369 8.919409       4.411529      12.46875       6.709038      5.371481       5.729958      33.09277 9.585403 24.08957 8.939051 9.003197       13.10674 
1 1 1 11 24 30 o 74.03929 3.833599 58.00095       5.754754      71.48279       9.224042      44.55453       6.880484      82.65884 5.579587 65.41974 5.258721 17.23910       7.667199 
1 1 1 11 24 31 o 52.29963 5.196888 29.62745       5.465705      32.70213       8.423491      26.54569       6.969748      54.84758 7.678999 49.75167 7.004538 5.095917       10.39378 
1 1 1 11 24 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 24 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 24 34 o 42.01366 5.568966 21.75655       4.432074      12.64586       6.612689      30.86724       5.902820      30.84075 9.657137 53.18657 5.549165 -22.34582      11.13793 
1 1 1 11 24 35 o 18.17428 5.589687 1.358811       3.864604      -0.1854018     5.789468      2.903235       5.121398      17.30416 7.826999 19.04441 7.982262 -1.740253      11.17937 
1 1 1 11 24 36 o 35.40981 6.112310 17.30039       4.303136      16.28022       6.241460      18.31348       5.925491      33.77324 9.053346 37.04639 8.214516 -3.273151      12.22462 
1 1 1 11 25 0  o 42.91384 9.014779 20.77181       6.812472      20.77181       6.812472      20.77181       6.812472      42.91384 9.014779 42.91384 9.014779 -0.000000      0.000000 
1 1 1 11 25 1  o 119.4853 3.077301 143.3198       7.353730      143.1781       9.507423      143.3906       11.22188      119.4764 3.978787 119.4943 4.695571 -0.1786804E-01 6.154603 
1 1 1 11 25 2  o 33.67312 5.499404 8.097604       5.470665      -11.20062      6.958413      27.38875       8.444746      15.34345 7.419384 52.00278 8.119514 -36.65933      10.99881 
1 1 1 11 25 3  o 112.2231 3.701662 126.8837       8.409323      115.6193       9.691620      138.1481       13.74396      107.3094 4.515738 117.1368 5.866628 -9.827438      7.403324 
1 1 1 11 25 4  o 137.4753 3.069455 189.7234       8.437660      189.6525       11.47692      189.7942       12.37665      137.4695 4.174353 137.4810 4.501222 -0.1159668E-01 6.138910 
1 1 1 11 25 5  f 60.41285 5.449917 37.05203       6.546094      33.23347       9.415324      40.87058       9.096521      57.23952 8.224495 63.58618 7.152907 -6.346653      10.89983 
1 1 1 11 25 6  o 44.83968 5.614005 20.92058       4.884067      16.92491       6.786968      24.90916       7.025008      40.04295 8.717330 49.63641 7.076466 -9.593464      11.22801 
1 1 1 11 25 7  o 129.9555 2.796930 169.8867       7.261631      185.6144       10.54176      154.0883       9.996255      136.0080 3.875420 123.9030 4.033904 12.10504       5.593859 
1 1 1 11 25 8  o 142.2002 2.938671 203.1840       8.324308      191.6362       12.34123      214.7317       11.17229      138.1116 4.467846 146.2888 3.818573 -8.177124      5.877342 
1 1 1 11 25 9  f 36.09842 6.875510 13.82898       5.357312      20.42466       8.076350      7.233293       7.041303      43.90903 9.466700 28.28781 9.973572 15.62123       13.75102 
1 1 1 11 25 10 o 141.1577 3.149011 200.2085       8.891070      202.1921       12.34832      198.2248       12.78755      141.8721 4.351919 140.4433 4.552568 1.428772       6.298022 
1 1 1 11 25 11 o 103.7494 3.581055 109.1016       7.374983      127.1671       10.61969      91.03606       10.23713      112.4432 4.722246 95.05556 5.384813 17.38767       7.162110 
1 1 1 11 25 12 o 136.3981 3.003050 187.1729       8.154280      197.1621       10.70471      177.1129       12.29872      140.1211 3.819805 132.6751 4.634904 7.446030       6.006101 
1 1 1 11 25 13 o 85.98404 3.737805 74.67081       6.359063      81.75533       8.295970      67.66422       9.642029      90.13356 4.602043 81.83452 5.891174 8.299042       7.475609 
1 1 1 11 25 14 o 45.42107 6.234065 21.48734       5.550012      21.69988       7.091603      21.27481       8.536844      46.18505 7.677379 44.65710 9.824058 1.527950       12.46813 
1 1 1 11 25 15 o 51.88890 5.066113 27.64379       5.217747      22.03993       7.071766      33.25473       7.672533      46.51969 7.600832 57.25811 6.699953 -10.73842      10.13223 
1 1 1 11 25 16 o 30.27997 6.614964 8.451830       4.969789      15.50801       7.058305      1.392108       6.998086      38.04888 9.333387 22.51105 9.376507 15.53783       13.22993 
1 1 1 11 25 17 o 95.81169 3.312835 92.52380       6.353395      88.62732       8.600604      96.42028       9.358648      93.80840 4.584134 97.81499 4.783852 -4.006584      6.625671 
1 1 1 11 25 18 o 136.5186 2.900809 187.6689       7.913406      194.9659       11.08727      180.3718       11.29272      139.1994 3.982514 133.8378 4.218808 5.361557       5.801617 
1 1 1 11 25 19 f 93.04289 3.589250 87.49380       6.686368      85.22675       8.983169      89.68999       9.904156      91.88941 4.888032 94.19637 5.257185 -2.306953      7.178500 
1 1 1 11 25 20 o 76.95980 4.670161 60.45927       7.226208      57.07996       8.969000      63.83859       11.32814      74.94169 5.983985 78.97791 7.171717 -4.036224      9.340322 
1 1 1 11 25 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 25 22 o 37.87398 7.513261 15.79139       6.041677      11.12269       7.899237      20.46717       9.146112      32.63758 10.59558 43.11038 10.65505 -10.47279      15.02652 
1 1 1 11 25 23 o 80.53195 4.248084 67.40210       6.670782      49.38618       9.309056      85.43929       9.557014      69.36116 6.710569 91.70274 5.210867 -22.34158      8.496168 
1 1 1 11 25 24 o 57.94879 4.983897 34.79207       5.788051      31.37733       7.700871      38.20681       8.643111      55.11461 6.986234 60.78297 7.109814 -5.668365      9.967794 
1 1 1 11 25 25 o 38.80913 6.940692 17.59086       6.057971      5.277257       6.967623      29.90375       9.911241      25.52128 9.760303 52.09698 9.870629 -26.57570      13.88138 
1 1 1 11 25 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 25 27 o 25.68829 6.820627 4.643193       5.136983      9.464915       6.814599      -0.1763336     7.686701      29.70447 9.841506 21.67211 9.446089 8.032354       13.64125 
1 1 1 11 25 28 f 40.42460 6.452586 18.54018       5.110063      16.98867       6.686368      20.08461       7.729208      38.84233 8.808160 42.00687 9.431849 -3.164532      12.90517 
1 1 1 11 25 29 o 21.76342 6.534419 1.376522       5.079599      3.584058       6.672907      -0.8310140     7.658363      22.83573 9.288972 20.69110 9.192907 2.144630       13.06884 
1 1 1 11 25 30 o 24.74384 6.525549 5.243960       4.594310      1.418320       6.692744      9.068183       6.296011      21.07899 8.991471 28.40868 9.459629 -7.329695      13.05110 
1 1 1 11 25 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 25 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 25 33 o 46.02593 4.910391 24.34949       4.551095      28.85524       7.091603      19.83665       5.710830      50.23313 7.058691 41.81873 6.828077 8.414394       9.820782 
1 1 1 11 25 34 o 45.48413 4.881394 24.28573       4.457579      26.31898       6.798304      22.25247       5.768215      47.07977 7.219983 43.88848 6.571445 3.191292       9.762789 
1 1 1 11 25 35 o 13.08391 4.543548 -8.019674      3.993543      -4.110437      6.026091      -11.92324      5.241126      15.06872 7.195701 11.09910 5.549520 3.969623       9.087095 
1 1 1 11 26 0  o 26.75779 13.78858 10.78264       9.344479      10.78264       9.344479      10.78264       9.344479      26.75779 13.78858 26.75779 13.78858 0.000000       0.000000 
1 1 1 11 26 1  o 98.82831 4.003725 98.47480       7.856731      92.87803       12.26330      104.0716       9.812057      95.91687 6.392671 101.7397 4.822136 -5.822868      8.007449 
1 1 1 11 26 2  o 106.2424 3.520339 113.5648       7.481250      112.9981       11.01642      114.0607       10.11669      105.9661 5.198088 106.5186 4.748791 -0.5524597     7.040677 
1 1 1 11 26 3  o 109.2818 3.267704 120.2243       7.183701      130.8510       11.08727      109.6683       9.131943      114.0746 4.859657 104.4889 4.369815 9.585709       6.535407 
1 1 1 11 26 4  o 83.85402 3.851311 71.27025       6.523424      82.46378       10.26547      60.04129       8.048012      90.46782 5.673546 77.24022 5.209729 13.22760       7.702623 
1 1 1 11 26 5  o 205.5998 2.657594 424.1501       10.92433      434.4226       15.67095      413.9484       15.23880      208.0797 3.765612 203.1198 3.751185 4.959976       5.315188 
1 1 1 11 26 6  o 20.40454 6.270607 -0.9762466     4.765755      -0.6241460     6.732417      -1.328347      6.746586      20.64611 8.917303 20.16298 8.818377 0.4831333      12.54121 
1 1 1 11 26 7  o 70.57566 4.270783 50.85267       5.878025      61.85492       8.055097      39.85041       8.565183      78.38912 5.137892 62.76220 6.823520 15.62692       8.541566 
1 1 1 11 26 8  o 98.04848 3.723004 97.27043       7.162447      84.80168       11.06602      109.6683       9.103605      91.64031 6.037745 104.4566 4.357600 -12.81632      7.446009 
1 1 1 11 26 9  o 93.19955 3.364204 87.70633       6.247128      97.62466       8.919409      77.78800       8.749379      98.51476 4.526940 87.88435 4.977780 10.63042       6.728409 
1 1 1 11 26 10 o 157.1918 3.028718 249.1625       9.408240      276.8629       12.38374      221.5329       14.16195      166.0476 3.728971 148.3360 4.773605 17.71162       6.057436 
1 1 1 11 26 11 o 204.9741 2.688404 421.9539       11.02351      426.3463       15.63553      417.5615       15.53635      206.0428 3.794244 203.9055 3.809694 2.137314       5.376807 
1 1 1 11 26 12 o 53.04522 5.352891 28.70647       5.627941      25.34132       8.189702      32.07870       7.722124      49.84393 8.215346 56.24651 6.864537 -6.402576      10.70578 
1 1 1 11 26 13 o 55.29118 5.105213 31.20730       5.645652      34.72122       8.324308      27.68630       7.630026      58.43008 7.123308 52.15228 7.315141 6.277794       10.21043 
1 1 1 11 26 14 o 162.2503 3.136350 265.1027       10.17337      267.7239       14.16904      262.4814       14.60828      163.0754 4.344319 161.4252 4.524783 1.650269       6.272700 
1 1 1 11 26 15 o 117.1570 3.500051 138.4315       8.210957      132.3388       11.11561      144.5950       12.08619      114.5824 4.850486 119.7316 5.047200 -5.149208      7.000103 
1 1 1 11 26 16 o 103.2692 3.565705 107.8972       7.410406      99.46662       9.301972      116.2569       11.53359      99.31322 4.683149 107.2252 5.378209 -7.912010      7.131411 
1 1 1 11 26 17 o 111.6198 3.481213 125.8210       7.743378      131.0636       10.03876      120.5785       11.78155      114.0516 4.400975 109.1881 5.395072 4.863464       6.962427 
1 1 1 11 26 18 o 97.34263 4.089365 96.13691       7.962997      95.21592       10.06001      96.98705       12.35540      97.02774 5.184092 97.65752 6.325882 -0.6297760     8.178729 
1 1 1 11 26 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 26 20 o 51.94061 6.537014 28.86941       6.653780      24.02360       8.806056      33.70813       9.975000      47.02777 9.693940 56.85344 8.772556 -9.825672      13.07403 
1 1 1 11 26 21 o 22.88016 6.564022 -2.537674      5.638568      8.040927       7.644195      -13.11344      8.288886      29.16731 10.38083 16.59301 8.036415 12.57431       13.12804 
1 1 1 11 26 22 o 25.62953 6.847381 2.573097       5.535134      10.47800       7.452912      -5.328974      8.182618      31.60434 10.29212 19.65472 9.034314 11.94962       13.69476 
1 1 1 11 26 23 o 60.35638 5.215756 37.98718       6.255630      43.27224       8.919409      32.70922       8.770633      64.71254 6.891561 56.00023 7.830890 8.712311       10.43151 
1 1 1 11 26 24 f 34.58485 7.386766 13.48892       6.087018      4.193326       6.978250      22.77672       9.975000      24.45536 9.664370 44.71433 11.17395 -20.25897      14.77353 
1 1 1 11 26 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 26 26 o 29.84101 7.050124 8.501422       5.553554      0.4825974      7.431659      16.51401       8.260548      21.75559 9.382380 37.92643 10.52559 -16.17084      14.10025 
1 1 1 11 26 27 o 87.54478 3.660349 78.99238       6.407947      79.27575       8.501422      78.77983       9.585353      87.84916 4.838647 87.24042 5.493642 0.6087418      7.320697 
1 1 1 11 26 28 o 19.41243 6.192139 -2.105519      5.155404      -1.129272      6.797595      -3.081765      7.750463      19.35049 8.626431 19.47437 8.885663 -0.1238785     12.38428 
1 1 1 11 26 29 o 24.75475 7.010971 4.066513       5.591810      -1.843392      7.360813      9.975000       8.423491      19.63784 8.857035 29.87167 10.87050 -10.23383      14.02194 
1 1 1 11 26 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 26 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 26 32 o 24.69253 6.602441 7.007296       4.597144      10.32923       6.821682      3.683949       6.164238      28.14799 9.827226 21.23708 8.820121 6.910913       13.20488 
1 1 1 11 26 33 o 18.06889 5.775537 -0.4145151     4.520631      3.726456       6.939286      -4.556053      5.795844      21.23723 9.110283 14.90054 7.101411 6.336691       11.55107 
1 1 1 11 26 34 o 21.03986 5.938370 3.452994       4.342101      -1.873147      6.711873      8.777717       5.510338      16.97984 7.947642 25.09989 8.825642 -8.120056      11.87674 
1 1 1 11 27 0  o 225.8875 3.839747 511.7147       17.33581      511.7147       17.33581      511.7147       17.33581      225.8875 3.839747 225.8875 3.839747 -0.000000      0.000000 
1 1 1 11 27 1  o 121.7907 2.920836 149.0583       7.112856      147.9247       10.16628      150.1209       9.953747      121.3339 4.189381 122.2476 4.071144 -0.9136047     5.841672 
1 1 1 11 27 2  o 109.3285 3.036741 120.2951       6.635359      127.9464       9.514507      112.5730       9.252379      112.8362 4.216072 105.8209 4.371717 7.015274       6.073482 
1 1 1 11 27 3  o 71.67052 4.198620 52.85759       5.971540      38.53978       7.778800      67.17540       9.061099      61.73510 6.300144 81.60593 5.551740 -19.87082      8.397240 
1 1 1 11 27 4  o 89.52705 3.913633 81.54280       7.020049      96.06606       10.65512      66.96286       9.139028      97.59335 5.458935 81.46075 5.609467 16.13259       7.827266 
1 1 1 11 27 5  o 155.6577 3.154886 243.9908       9.840395      259.0808       14.67204      228.8299       13.12053      160.4650 4.571723 150.8503 4.348858 9.614777       6.309772 
1 1 1 11 27 6  o 244.4209 3.200936 601.1213       15.64262      590.5654       22.33748      611.6772       21.90533      242.2469 4.610478 246.5949 4.441561 -4.347977      6.401873 
1 1 1 11 27 7  o 76.78687 4.377618 59.82875       6.618357      52.82925       10.13795      66.82825       8.508506      72.15547 7.025070 81.41826 5.225183 -9.262787      8.755236 
1 1 1 11 27 8  o 132.2311 3.211428 175.9794       8.522675      182.7806       13.17720      169.1783       10.80389      134.7237 4.890454 129.7385 4.163719 4.985245       6.422857 
1 1 1 11 27 9  o 161.2963 2.994556 261.8438       9.613690      243.4240       14.08402      280.3344       13.09927      155.5444 4.527332 167.0482 3.920806 -11.50383      5.989112 
1 1 1 11 27 10 o 109.7874 3.355857 121.4286       7.367898      121.9245       9.542846      120.9327       11.22188      110.0788 4.334554 109.4961 5.124329 0.5826950      6.711714 
1 1 1 11 27 11 o 52.20085 5.278737 27.85633       5.503962      25.29881       7.615856      30.40675       7.948828      49.77687 7.649995 54.62482 7.275839 -4.847954      10.55747 
1 1 1 11 27 12 o 43.21626 6.387348 19.75872       5.440201      24.71080       7.545012      14.80664       7.835476      49.21776 7.664927 37.21476 10.21968 12.00300       12.77470 
1 1 1 11 27 13 o 23.47419 6.871970 1.694617       5.302762      2.780673       7.219123      0.6088435      7.771716      23.97325 9.696115 22.97512 9.740700 0.9981308      13.74394 
1 1 1 11 27 14 o 66.79063 4.416198 45.34800       5.902820      42.10329       8.062181      48.59979       8.621859      64.39329 6.260110 69.18797 6.230750 -4.794678      8.832397 
1 1 1 11 27 15 o 116.7102 3.278994 137.3688       7.651280      139.8484       10.64095      134.8892       10.99517      117.7885 4.516970 115.6319 4.754387 2.156662       6.557989 
1 1 1 11 27 16 o 28.50868 7.919454 5.141943       6.696286      2.677948       9.854564      7.608772       9.075267      26.93407 11.16697 30.08329 11.23253 -3.149220      15.83891 
1 1 1 11 27 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 27 18 o 25.44398 7.790466 -0.6782717E-01 7.304138      0.8756463E-01  10.42841      -0.2232331     10.22296      25.65391 11.08950 25.23404 10.94479 0.4198723      15.58093 
1 1 1 11 27 19 o 91.81482 4.451070 86.21858       8.140111      93.37395       11.27147      79.13406       11.73905      95.73199 5.886992 87.89764 6.677680 7.834358       8.902140 
1 1 1 11 27 20 o 76.87589 4.788120 60.94102       7.190785      69.24407       9.004422      52.64505       11.21479      82.48895 5.457957 71.26283 7.868613 11.22612       9.576240 
1 1 1 11 27 21 o 86.37073 4.088450 76.30025       7.053346      77.15040       9.231127      75.37926       10.66928      87.02169 5.303923 85.71976 6.223351 1.301926       8.176901 
1 1 1 11 27 22 o 68.93529 4.768970 49.13113       6.592852      47.43085       8.267632      50.83142       10.27255      67.95024 6.083593 69.92034 7.345896 -1.970100      9.537939 
1 1 1 11 27 23 o 32.58344 8.525653 10.33631       7.580434      15.87640       11.54068      4.801178       9.826226      37.56647 12.80730 27.60040 11.25700 9.966070       17.05131 
1 1 1 11 27 24 o 55.23507 5.998119 32.81549       6.689201      29.20238       8.118857      36.42150       10.63386      52.49902 7.732390 57.97112 9.171689 -5.472103      11.99624 
1 1 1 11 27 25 o 26.61814 6.933040 5.375732       5.411863      -2.058761      7.197870      12.80881       8.083434      19.66459 8.818565 33.57169 10.70052 -13.90709      13.86608 
1 1 1 11 27 26 o 43.83589 6.800892 22.13912       5.831975      18.54018       7.700871      25.74514       8.756464      40.11634 9.692427 47.55545 9.542818 -7.439114      13.60178 
1 1 1 11 27 27 o 33.90432 7.462606 13.79356       5.659113      14.19737       7.254546      13.39682       8.692703      34.48527 9.960593 33.32337 11.11524 1.161900       14.92521 
1 1 1 11 27 28 o 58.74213 6.368845 40.21881       7.226208      39.86458       8.543928      40.56595       11.66112      60.21807 7.094157 57.26618 10.57930 2.951889       12.73769 
1 1 1 11 27 29 o 34.08531 9.602594 24.73205       10.58427      17.86716       10.12378      31.59695       18.59686      32.65525 11.91390 35.51537 15.06314 -2.860119      19.20519 
1 1 1 11 27 30 o 41.09552 8.986972 27.61545       9.443663      7.275800       11.08019      47.96218       15.30256      26.70863 11.48649 55.48241 13.82473 -28.77377      17.97394 
1 1 1 11 27 31 o 19.53342 6.021252 0.3202910      4.663738      -5.310555      6.173449      5.950995       6.992419      15.35123 7.319273 23.71561 9.562956 -8.364382      12.04250 
1 1 1 11 27 32 o 63.78332 3.833138 45.02211       4.901069      48.30224       7.360813      41.74198       6.477375      65.92668 5.582576 61.63995 5.254201 4.286728       7.666276 
1 1 1 11 27 33 o 31.90790 6.468080 14.57285       4.368313      16.93200       6.767839      12.22079       5.525216      34.14990 9.543535 29.66590 8.732994 4.484001       12.93616 
1 1 1 11 28 0  o 16.21700 10.30192 1.311344       7.080976      1.311344       7.080976      1.311344       7.080976      16.21700 10.30192 16.21700 10.30192 -0.000000      0.000000 
1 1 1 11 28 1  o 148.1842 2.804998 220.6119       8.317224      223.7291       11.88074      217.4947       11.63278      149.2288 3.980713 147.1396 3.952972 2.089142       5.609997 
1 1 1 11 28 2  o 46.24991 5.960455 22.18871       5.394152      21.50859       7.778800      22.86882       7.474166      45.11034 8.939843 47.38948 7.885893 -2.279137      11.92091 
1 1 1 11 28 3  f 77.66935 3.872079 60.96936       6.005546      66.11272       8.586436      55.82600       8.395153      80.97266 5.302059 74.36604 5.644480 6.606613       7.744158 
1 1 1 11 28 4  o 57.92004 4.689852 34.15446       5.401945      38.80191       7.736294      29.49993       7.545012      61.92546 6.246456 53.91460 6.997187 8.010860       9.379704 
1 1 1 11 28 5  o 124.2569 2.992208 155.6469       7.438744      140.4860       10.05293      170.8077       10.97392      118.1872 4.252968 130.3265 4.210164 -12.13926      5.984415 
1 1 1 11 28 6  o 97.06741 3.579708 95.07423       6.936451      98.68733       9.436578      91.46112       10.16628      98.95986 4.767881 95.17497 5.340838 3.784889       7.159417 
1 1 1 11 28 7  o 78.93082 4.606685 63.26474       7.247461      60.87726       10.83223      65.65932       9.642029      77.34700 7.002358 80.51463 5.987750 -3.167625      9.213369 
1 1 1 11 28 8  o 84.71165 4.006252 72.97054       6.782009      61.89743       9.075267      84.09322       10.08127      78.21147 5.801750 91.21185 5.526294 -13.00037      8.012505 
1 1 1 11 28 9  o 115.2953 3.778059 134.2516       8.728126      138.6440       13.07802      129.8592       11.55485      117.1314 5.582629 113.4593 5.092068 3.672096       7.556117 
1 1 1 11 28 10 o 78.84573 4.800126 63.33559       7.516674      56.72574       10.91724      69.94544       10.32923      74.61935 7.315288 83.07211 6.217024 -8.452759      9.600251 
1 1 1 11 28 11 o 56.54491 6.412653 33.03511       7.275800      35.38717       11.01642      30.68304       9.507423      58.49230 9.416986 54.59752 8.706828 3.894787       12.82531 
1 1 1 11 28 12 o 169.2121 3.211640 288.6233       10.87473      290.6778       16.65570      286.6396       13.98484      169.6896 4.907697 168.7345 4.144035 0.9550629      6.423279 
1 1 1 11 28 13 o 32.77567 8.036635 10.04585       6.808222      17.12328       10.68345      2.971955       8.444746      39.97718 12.22627 25.57415 10.43400 14.40303       16.07327 
1 1 1 11 28 14 o 36.95377 7.270853 13.60227       6.590727      0.7247462      8.876901      26.48193       9.741212      24.39240 10.37848 49.51513 10.18569 -25.12273      14.54171 
1 1 1 11 28 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 28 16 o 45.43219 7.999169 22.96092       7.261631      22.21705       9.677451      23.70480       10.82514      44.80469 10.89052 46.05969 11.71936 -1.255001      15.99834 
1 1 1 11 28 17 o 70.35492 4.808470 51.00853       6.738085      43.57687       9.259464      58.43310       9.790804      65.12474 7.109023 75.58510 6.476676 -10.46036      9.616940 
1 1 1 11 28 18 o 20.12258 6.462905 -4.271256      5.700912      -6.311597      7.849646      -2.230915      8.274716      18.70216 8.693540 21.54300 9.565507 -2.840847      12.92581 
1 1 1 11 28 19 o 30.07791 7.536368 7.587519       6.152195      1.246167       8.876901      13.92108       8.515590      24.46917 10.39383 35.68665 10.91584 -11.21748      15.07274 
1 1 1 11 28 20 o 61.51977 5.443164 39.45368       6.688493      37.96593       9.613690      40.94143       9.301972      60.26799 7.975785 62.77154 7.409387 -2.503548      10.88633 
1 1 1 11 28 21 o 82.94686 4.238117 70.84518       7.002337      66.37485       10.24421      75.30843       9.549930      80.17141 6.388944 85.72231 5.570271 -5.550903      8.476233 
1 1 1 11 28 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 28 23 o 35.76133 7.844846 14.59411       6.226583      13.29056       7.849646      15.89057       9.663282      34.33998 10.47560 37.18268 11.68025 -2.842697      15.68969 
1 1 1 11 28 24 o 23.31372 6.581247 -3.403403      5.995627      9.613690       7.410406      -16.42191      9.429493      29.80754 10.25818 16.81991 8.247488 12.98763       13.16249 
1 1 1 11 28 25 o 30.07407 8.136389 9.691620       6.955580      5.667614       7.601687      13.71563       11.64695      25.69963 10.10872 34.44851 12.75214 -8.748882      16.27278 
1 1 1 11 28 26 o 28.87655 8.279339 7.559181       7.665448      6.983210       8.267632      8.125941       12.90799      27.12343 10.57164 30.62968 12.74481 -3.506252      16.55868 
1 1 1 11 28 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 28 28 o 36.17742 7.211333 16.77614       6.157155      26.36149       8.650196      7.197870       8.770633      46.02126 9.701313 26.33358 10.67229 19.68768       14.42267 
1 1 1 11 28 29 o 34.69163 6.578563 15.30964       5.204995      23.12387       7.105771      7.488335       7.608772      43.73156 8.424947 25.65169 10.10595 18.07988       13.15713 
1 1 1 11 28 30 o 18.35032 5.886403 -0.7403321     4.699870      -1.797342      6.357646      0.3163237      6.924408      17.38818 7.980260 19.31246 8.655312 -1.924282      11.77281 
1 1 1 11 28 31 o 23.68733 6.371484 5.882984       4.663738      10.82514       6.100478      0.9379901      7.055471      28.03670 9.311579 19.33797 8.699296 8.698732       12.74297 
1 1 1 11 28 32 o 13.76436 4.768852 -8.125941      4.439159      -7.700871      5.878733      -8.543928      6.652362      13.39989 6.555471 14.12883 6.927742 -0.7289400     9.537704 
1 1 1 11 29 0  o 63.54991 6.563506 41.95451       8.182618      41.95451       8.182618      41.95451       8.182618      63.54991 6.563506 63.54991 6.563506 -0.000000      0.000000 
1 1 1 11 29 1  o 31.05424 6.628867 8.522675       5.207829      16.86824       7.169532      0.1783882      7.559181      39.73663 9.196168 22.37185 9.549764 17.36478       13.25773 
1 1 1 11 29 2  o 91.66753 3.508282 84.87252       6.414322      92.59465       9.117774      77.22124       9.025676      95.85635 4.755958 87.47872 5.158784 8.377625       7.016565 
1 1 1 11 29 3  o 43.12540 6.497461 19.90041       5.446577      16.59194       7.700871      23.20888       7.700871      39.33619 9.810638 46.91460 8.521700 -7.578419      12.99492 
1 1 1 11 29 4  o 53.95589 5.259286 29.66288       5.673282      30.74681       8.055097      28.58603       7.991336      54.95306 7.329071 52.95872 7.544872 1.994339       10.51857 
1 1 1 11 29 5  o 34.64113 6.888987 12.44041       5.433825      4.726081       7.332476      20.15545       8.019674      25.86772 9.981756 43.41455 9.497214 -17.54683      13.77797 
1 1 1 11 29 6  o 89.75349 3.874573 81.47195       6.953454      81.25941       9.464915      81.61364       10.19462      89.69115 5.276393 89.81583 5.675292 -0.1246796     7.749146 
1 1 1 11 29 7  o 31.72512 7.274639 8.543928       6.089851      18.20721       8.940661      -1.112269      8.267632      41.01052 10.76419 22.43973 9.788449 18.57080       14.54928 
1 1 1 11 29 8  o 95.42815 4.064703 93.01972       7.615856      75.59180       11.00934      110.5185       10.53468      86.25166 6.382104 104.6046 5.035474 -18.35296      8.129407 
1 1 1 11 29 9  o 65.90879 5.609077 46.14146       7.197870      28.85524       9.309056      63.42769       10.98809      52.92159 8.795141 78.89600 6.963653 -25.97441      11.21815 
1 1 1 11 29 10 o 142.7453 3.269639 205.5219       9.330310      210.3393       12.97884      200.7044       13.40391      144.4523 4.492431 141.0384 4.751865 3.413910       6.539279 
1 1 1 11 29 11 o 48.53273 7.555203 25.68138       7.155363      22.31623       9.705790      29.03944       10.52051      45.23868 10.85063 51.82679 10.51609 -6.588108      15.11041 
1 1 1 11 29 12 o 107.2446 8.889509 124.6875       19.29114      136.8729       31.88033      112.5022       21.74238      111.3073 14.32086 103.1819 10.53595 8.125443       17.77902 
1 1 1 11 29 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 29 14 o 39.21644 8.926422 16.78322       8.033843      20.73638       12.36957      12.83715       10.25838      43.11014 13.15000 35.32273 12.07484 7.787403       17.85284 
1 1 1 11 29 15 f 35.31617 8.534623 12.75922       7.339560      16.63445       10.93850      8.883986       9.783719      39.13073 12.44509 31.50162 11.68242 7.629107       17.06925 
1 1 1 11 29 16 o 176.3881 3.793214 316.6071       13.48184      331.1304       22.67046      302.0130       14.60828      179.8917 6.301142 172.8845 4.224866 7.007172       7.586428 
1 1 1 11 29 17 o 116.6602 3.698313 140.6985       8.735210      175.7669       13.97775      105.7010       10.47800      131.3780 5.319671 101.9424 5.139180 29.43564       7.396626 
1 1 1 11 29 18 o 92.92778 4.271154 88.76900       7.863815      79.98421       11.66820      97.55381       10.54885      88.08328 6.623392 97.77228 5.394600 -9.688995      8.542308 
1 1 1 11 29 19 o 52.36298 6.070879 29.95334       6.103312      21.39524       8.203872      38.51144       9.039845      43.95717 9.596870 60.76880 7.437900 -16.81162      12.14176 
1 1 1 11 29 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 29 21 o 46.91910 6.502588 24.25739       5.965164      27.02743       8.218040      21.48026       8.650196      50.37631 8.156652 43.46189 10.12935 6.914421       13.00518 
1 1 1 11 29 22 o 30.50654 7.902148 9.075267       6.499337      11.71779       8.324308      6.432034       9.982086      32.43840 10.87716 28.57469 11.46574 3.863710       15.80430 
1 1 1 11 29 23 o 42.40593 8.301544 21.90533       7.594603      30.24380       11.40607      13.56685       10.01751      50.38570 11.55826 34.42616 11.91927 15.95954       16.60309 
1 1 1 11 29 24 o 52.45210 7.589484 33.39642       7.849646      43.35017       11.37774      23.44975       10.81806      61.94625 9.183555 42.95794 12.08567 18.98832       15.17897 
1 1 1 11 29 25 o 39.39902 8.532734 19.52493       7.389152      22.70588       11.22188      16.35107       9.620775      42.29296 12.44437 36.50508 11.67767 5.787876       17.06547 
1 1 1 11 29 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 29 27 o 27.08741 7.570491 7.785885       6.151486      4.585808       8.345562      10.99517       9.039845      24.31535 10.19050 29.85947 11.19835 -5.544123      15.14098 
1 1 1 11 29 28 o 47.20589 6.272274 27.31790       5.776716      23.51352       6.864190      31.12229       9.294888      44.61906 7.980176 49.79273 9.678969 -5.173664      12.54455 
1 1 1 11 29 29 o 28.65374 7.133908 10.90307       5.302762      12.64586       6.528384      9.160281       8.359732      30.67459 9.593437 26.63289 10.56108 4.041693       14.26782 
1 1 1 11 29 30 o 66.58511 4.730464 52.14914       6.332142      44.66080       8.125941      59.63039       9.712874      61.97166 6.556176 71.19858 6.820974 -9.226921      9.460927 
1 1 1 11 29 31 o 18.72657 5.940061 1.660611       4.626190      1.137065       6.575850      2.183449       6.509255      18.41394 8.334640 19.03921 8.465877 -0.6252632     11.88012 
1 1 1 11 30 0  o 12.10749 8.617724 -9.301972      8.267632      -9.301972      8.267632      -9.301972      8.267632      12.10749 8.617724 12.10749 8.617724 -0.000000      0.000000 
1 1 1 11 30 1  o 103.3205 3.537530 107.8264       7.318307      102.7963       9.989170      112.9272       10.69054      100.9037 4.949855 105.7373 5.055234 -4.833641      7.075059 
1 1 1 11 30 2  o 71.36418 4.600513 52.03578       6.505004      44.53328       9.273635      59.53829       9.124859      66.09828 7.015034 76.63007 5.953837 -10.53179      9.201026 
1 1 1 11 30 3  o 79.69939 4.307307 64.72416       6.808930      73.39561       9.557014      56.05270       9.705790      85.14828 5.611983 74.25050 6.535841 10.89778       8.614614 
1 1 1 11 30 4  o 55.52012 5.983164 33.03511       6.220915      43.99485       8.912323      22.07536       8.685618      65.73979 6.778485 45.30045 9.861296 20.43935       11.96633 
1 1 1 11 30 5  o 82.29045 4.329492 68.78358       7.098687      72.97054       9.620775      64.59663       10.43549      84.88371 5.667033 79.69720 6.546964 5.186501       8.658984 
1 1 1 11 30 6  o 55.06673 6.495685 31.90867       6.931493      35.59970       9.606606      28.22472       9.996255      58.86668 8.159631 51.26678 10.10921 7.599892       12.99137 
1 1 1 11 30 7  o 97.16652 4.173443 95.85353       8.111773      92.24043       11.25021      99.53748       11.68946      95.31746 5.901445 99.01559 5.902835 -3.698128      8.346887 
1 1 1 11 30 8  o 47.52279 8.772965 25.15712       8.437660      25.73805       12.50417      24.57619       11.34231      47.98343 12.79241 47.06215 12.00891 0.9212723      17.54593 
1 1 1 11 30 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 30 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 30 11 o 42.34194 8.391190 19.77997       7.594603      14.46659       10.97392      25.09336       10.50634      37.09710 12.48886 47.58678 11.21056 -10.48968      16.78238 
1 1 1 11 30 12 o 50.65111 6.847346 27.50210       6.779883      23.81815       9.514507      31.19313       9.663282      46.59883 10.46579 54.70339 8.832434 -8.104565      13.69469 
1 1 1 11 30 13 o 26.55091 7.404171 3.789509       6.066473      -1.069762      8.565183      8.650196       8.593520      22.67518 9.926436 30.42665 10.98876 -7.751471      14.80834 
1 1 1 11 30 14 o 39.74218 7.420698 17.48459       6.064347      21.26064       8.678535      13.70854       8.473083      43.96568 10.07963 35.51868 10.89349 8.446999       14.84140 
1 1 1 11 30 15 o 25.59566 7.457840 2.007752       6.462497      5.735625       7.934660      -1.720829      10.20170      26.97762 10.38904 24.21369 10.70258 2.763931       14.91568 
1 1 1 11 30 16 o 30.35540 7.732411 8.480167       6.168490      11.15812       7.991336      5.802220       9.401155      32.41446 10.65741 28.29633 11.20626 4.118132       15.46482 
1 1 1 11 30 17 o 94.37255 4.089700 91.39028       7.700871      93.23225       10.01751      89.54830       11.70362      95.53773 5.242698 93.20737 6.278272 2.330353       8.179399 
1 1 1 11 30 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 30 19 o 21.97174 7.343255 -11.68237      8.607689      -5.221998      12.63878      -18.14345      11.69654      24.69874 11.30037 19.24475 9.380574 5.453985       14.68651 
1 1 1 11 30 20 o 53.84542 7.862751 33.87108       8.359732      20.37507       12.66003      47.36000       10.92433      41.13614 13.41403 66.55470 8.207028 -25.41856      15.72550 
1 1 1 11 30 21 o 62.51708 6.964785 43.85316       8.465999      41.99702       12.62461      45.70931       11.27147      60.20219 10.88428 64.83198 8.692830 -4.629787      13.92957 
1 1 1 11 30 22 o 39.13061 7.989629 18.88733       6.774924      24.86666       10.32923      12.91508       8.770633      45.09937 11.43155 33.16185 11.16496 11.93752       15.97926 
1 1 1 11 30 23 o 29.52214 7.121378 7.842561       6.060097      -3.720080      7.892153      19.40449       9.195704      19.33977 8.882390 39.70452 11.13370 -20.36475      14.24276 
1 1 1 11 30 24 o 41.89012 11.23080 37.33541       13.81481      53.05595       24.88791      21.61486       11.98701      46.58173 18.30092 37.19852 13.02307 9.383209       22.46161 
1 1 1 11 30 25 o 23.98874 10.50695 6.813890       9.606606      6.813890       9.606606      ?              ?             23.98874 10.50695 ?        ?        ?              ?        
1 1 1 11 30 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 30 27 o 22.08617 6.830095 1.621646       5.960914      8.458915       9.372816      -5.213497      7.367898      27.03078 11.00440 17.14156 8.093457 9.889219       13.66019 
1 1 1 11 30 28 o 31.93390 7.937687 15.22463       6.431325      12.47583       9.401155      17.97342       8.777717      29.15354 11.29150 34.71427 11.15928 -5.560732      15.87537 
1 1 1 11 30 29 o 20.12289 6.330102 2.308136       5.156112      1.936907       6.643860      2.679365       7.885069      19.43526 8.607759 20.81052 9.283710 -1.375256      12.66020 
1 1 1 11 30 30 o 25.70605 7.261201 11.37774       5.715789      6.933618       6.264839      15.81973       9.564099      22.50292 9.060941 28.90919 11.34899 -6.406265      14.52240 
1 1 1 11 31 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 31 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 31 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 31 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 31 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 31 5  o 80.63662 10.38034 69.05988       16.74072      69.05988       16.74072      ?              ?             80.63662 10.38034 ?        ?        ?              ?        
1 1 1 11 31 6  o 81.77153 6.794542 71.69532       10.80389      51.29899       14.94833      92.09874       15.60011      69.38386 10.77220 94.15920 8.283900 -24.77534      13.58908 
1 1 1 11 31 7  o 27.93929 7.988025 4.191200       7.001628      6.762880       9.734127      1.620229       10.06710      29.64713 11.48827 26.23144 11.10197 3.415693       15.97605 
1 1 1 11 31 8  o 121.5652 3.725172 150.0501       9.054014      148.1373       12.63878      151.8921       12.97884      120.8174 5.230531 122.3131 5.305580 -1.495697      7.450345 
1 1 1 11 31 9  o 32.11127 8.128800 9.861650       6.639610      10.09544       9.131943      9.627860       9.642029      32.16378 11.35628 32.05876 11.63376 0.1050224      16.25760 
1 1 1 11 31 10 o 47.23177 7.044027 24.37074       6.447619      25.43342       9.224042      23.30806       9.004422      48.31629 9.886609 46.14724 10.03635 2.169048       14.08805 
1 1 1 11 31 11 o 28.70392 6.487586 2.308844       5.916281      18.63937       8.409323      -14.02026      8.324308      41.08435 10.25523 16.32350 7.948922 24.76085       12.97517 
1 1 1 11 31 12 o 115.8772 3.426366 136.4478       7.934660      142.3988       11.22896      130.4260       11.21479      118.4592 4.739591 113.2953 4.949364 5.163918       6.852731 
1 1 1 11 31 13 o 85.91084 4.203958 75.59180       7.226208      75.23758       9.925409      76.01688       10.49926      85.74355 5.787847 86.07813 6.098678 -0.3345871     8.407915 
1 1 1 11 31 14 o 26.56511 7.552859 4.519922       6.145820      4.758671       8.515590      4.281883       8.862731      26.59023 10.62280 26.53999 10.73959 0.5024338E-01  15.10572 
1 1 1 11 31 15 o 27.30966 7.859516 4.550386       6.752962      5.403362       9.188620      3.697410       9.904156      27.60774 11.03264 27.01158 11.19682 0.5961590      15.71903 
1 1 1 11 31 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 31 17 o 66.99387 5.769885 47.89134       7.757547      44.34200       10.03876      51.44069       11.83823      64.70551 7.757270 69.28224 8.543480 -4.576736      11.53977 
1 1 1 11 31 18 o 24.45630 7.275746 2.138108       6.123857      4.592185       8.558097      -0.3153319     8.763549      26.06199 10.55042 22.85062 10.02170 3.211365       14.55149 
1 1 1 11 31 19 o 64.41228 5.513635 44.51911       6.986042      50.00253       9.188620      39.03569       10.52051      68.96355 6.661939 59.86100 8.787449 9.102558       11.02727 
1 1 1 11 31 20 o 50.68450 6.727594 29.16696       6.601354      32.07870       8.465999      26.26231       10.13086      54.49878 7.767146 46.87022 10.98697 7.628551       13.45519 
1 1 1 11 31 21 o 32.82370 7.846361 12.02243       6.613398      17.26497       8.473083      6.779883       10.15920      37.58349 10.73537 28.06391 11.44610 9.519579       15.69272 
1 1 1 11 31 22 o 54.98644 7.082454 35.88308       7.332476      46.43193       9.599521      25.33423       11.08019      65.42151 7.336671 44.55138 12.11684 20.87013       14.16491 
1 1 1 11 31 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 31 24 o 26.89628 8.317875 5.381400       8.784801      6.340643       15.04043      4.422156       9.068183      29.04611 12.89672 24.74646 10.50823 4.299652       16.63575 
1 1 1 11 31 25 o 25.68724 7.871514 5.453662       7.523758      1.803718       9.989170      9.103605       11.25021      23.24597 10.40753 28.12851 11.81212 -4.882545      15.74303 
1 1 1 11 31 26 o 21.43414 6.881552 0.3928365      6.454704      3.039258       9.394071      -2.253585      8.855647      23.00459 10.20605 19.86369 9.233607 3.140902       13.76310 
1 1 1 11 31 27 o 23.06759 6.915631 5.444452       5.554262      3.144817       7.431659      7.743378       8.260548      21.19981 9.263688 24.93536 10.27073 -3.735552      13.83126 
1 1 1 11 31 28 o 20.60070 6.291356 3.749835       4.739542      3.182366       6.422824      4.317306       6.971166      20.01276 8.677632 21.18863 9.111714 -1.175875      12.58271 
1 1 1 11 32 0  o 15.38338 10.40438 -3.137733      9.068183      -3.137733      9.068183      -3.137733      9.068183      15.38338 10.40438 15.38338 10.40438 0.000000       0.000000 
1 1 1 11 32 1  o 55.63105 6.440679 32.92884       6.927242      28.30265       9.911241      37.56211       9.677451      51.03319 10.06906 60.22892 8.033892 -9.195724      12.88136 
1 1 1 11 32 2  o 52.27361 6.742039 29.18822       6.888985      26.26231       9.585353      32.11412       9.897071      49.08412 10.11012 55.46309 8.922215 -6.378975      13.48408 
1 1 1 11 32 3  o 39.23769 7.899295 16.93908       6.496503      17.59086       9.202788      16.29439       9.174451      39.93536 11.11839 38.54004 11.22394 1.395321       15.79859 
1 1 1 11 32 4  o 39.38128 6.722992 15.60719       6.390234      29.78331       8.770633      1.424697       9.294888      53.56483 8.186932 25.19773 10.66624 28.36710       13.44598 
1 1 1 11 32 5  o 59.18338 6.213965 37.92342       6.971874      26.17021       9.443663      49.68372       10.26547      48.97735 9.986886 69.38940 7.396998 -20.41206      12.42793 
1 1 1 11 32 6  o 34.25636 7.982018 12.37665       6.341352      12.22079       9.124859      12.53251       8.806056      34.14933 11.38818 34.36339 11.18748 -0.2140656     15.96404 
1 1 1 11 32 7  o 37.81918 8.109390 15.77722       6.812472      20.62303       10.20879      10.93141       9.025676      42.86837 11.61793 32.76999 11.31692 10.09838       16.21878 
1 1 1 11 32 8  o 28.60591 7.909343 5.931159       6.635359      8.069265       9.054014      3.793759       9.705790      30.04615 11.21923 27.16567 11.15167 2.880482       15.81869 
1 1 1 11 32 9  o 47.22165 7.021666 24.97293       6.645986      14.05568       9.167366      35.89017       9.620775      35.87045 11.39155 58.57285 8.212658 -22.70240      14.04333 
1 1 1 11 32 10 o 120.3839 3.505966 147.4997       8.444746      148.4207       11.92324      146.5078       11.95158      120.7836 4.935786 119.9842 4.980483 0.7994766      7.011932 
1 1 1 11 32 11 o 31.52741 8.311880 9.252379       7.073183      7.289969       9.698705      11.20771       10.29380      29.66157 11.47282 33.39326 12.03012 -3.731691      16.62376 
1 1 1 11 32 12 o 114.1084 4.027057 134.3224       9.146112      153.6632       13.20554      114.9817       12.65295      122.5194 5.389165 105.6975 5.985454 16.82186       8.054114 
1 1 1 11 32 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 32 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 32 15 o 25.81119 7.328891 3.751252       6.018298      -1.222788      8.210957      8.728126       8.798972      21.68909 9.592273 29.93329 11.08327 -8.244204      14.65778 
1 1 1 11 32 16 o 67.32815 5.064206 48.20306       6.699829      56.69740       9.259464      39.70872       9.684536      73.71838 6.280295 60.93791 7.946232 12.78048       10.12841 
1 1 1 11 32 17 o 35.30206 7.686315 14.39574       6.192576      8.898154       8.388069      19.89333       9.110690      29.51112 10.83699 41.09300 10.90309 -11.58188      15.37263 
1 1 1 11 32 18 o 34.40160 7.981025 14.01318       6.351979      14.49492       8.699788      13.53143       9.259464      34.89636 11.09877 33.90685 11.47189 0.9895058      15.96205 
1 1 1 11 32 19 f 21.54389 6.802649 -0.8409322     5.975082      -1.858269      8.005506      0.1759086      8.869816      20.44970 9.229246 22.63808 9.996258 -2.188383      13.60530 
1 1 1 11 32 20 o 43.27641 7.595008 22.93258       6.834435      31.34190       9.656199      14.51618       9.677451      51.95780 9.653568 34.59501 11.72797 17.36279       15.19002 
1 1 1 11 32 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 32 22 o 18.19987 6.235498 -10.53468      6.973290      -10.88182      8.827310      -10.19462      10.79680      17.01041 8.254972 19.38933 9.347791 -2.378914      12.47100 
1 1 1 11 32 23 o 45.17450 11.55123 28.67813       10.47800      28.67813       10.47800      ?              ?             45.17450 11.55123 ?        ?        ?              ?        
1 1 1 11 32 24 o 26.64262 7.664086 7.984251       6.752253      8.019674       7.112856      7.948828       11.47692      25.96405 9.881303 27.32119 11.71805 -1.357134      15.32817 
1 1 1 11 32 25 o 24.61323 7.014435 5.919823       5.800803      9.847479       6.974000      1.992166       9.273635      27.15139 9.890065 22.07507 9.949664 5.076324       14.02887 
1 1 1 11 32 26 o 33.07801 7.513580 16.97450       5.696661      13.12053       6.995253      20.82848       8.990252      29.91224 9.971102 36.24379 11.24245 -6.331545      15.02716 
1 1 1 11 32 27 o 28.28468 6.619998 10.81806       5.370772      1.489166       7.870899      20.14837       7.311223      19.62883 8.955680 36.94054 9.751578 -17.31171      13.24000 
1 1 1 11 33 0  o 126.1098 4.957439 161.1019       12.46167      161.1019       12.46167      161.1019       12.46167      126.1098 4.957439 126.1098 4.957439 -0.000000      0.000000 
1 1 1 11 33 1  o 87.70065 4.203693 78.92152       7.360813      85.72267       10.57718      72.12038       10.24421      91.54421 5.777091 83.85708 6.108139 7.687134       8.407386 
1 1 1 11 33 2  o 32.78668 7.738645 11.19354       6.098353      15.28839       9.046929      7.091603       8.175533      37.14970 11.22898 28.42365 10.65160 8.726051       15.47729 
1 1 1 11 33 3  o 56.48524 6.308990 34.94793       6.667239      46.16980       9.415324      23.73314       9.443663      66.79972 7.047428 46.17076 10.46648 20.62896       12.61798 
1 1 1 11 33 4  o 48.71229 7.169938 26.22688       6.774924      27.41000       8.770633      25.04377       10.32923      50.25466 9.056856 47.16992 11.11780 3.084740       14.33988 
1 1 1 11 33 5  o 26.19645 7.838424 1.937616       7.197870      6.160697       11.26438      -2.286174      8.961915      30.11781 12.14046 22.27509 9.918307 7.842718       15.67685 
1 1 1 11 33 6  o 53.20917 6.477152 30.52010       6.733126      33.35391       9.649114      27.67921       9.394071      56.23544 8.579210 50.18290 9.706243 6.052544       12.95430 
1 1 1 11 33 7  o 42.99612 8.406377 21.19688       7.488335      19.53910       10.58427      22.84757       10.59135      41.32867 12.06178 44.66356 11.71248 -3.334896      16.81275 
1 1 1 11 33 8  o 37.58289 8.038436 14.72163       7.523758      2.767213       10.41424      26.68029       10.85348      26.87889 11.32967 48.28689 11.40633 -21.40800      16.07687 
1 1 1 11 33 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 33 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 33 11 o 52.87885 6.340924 30.73264       6.490835      35.28798       9.181536      26.18438       9.174451      57.58796 7.971749 48.16973 9.863088 9.418224       12.68185 
1 1 1 11 33 12 o 44.92002 6.868204 23.03177       6.293886      33.77898       8.969000      12.27747       8.834394      56.44280 7.945211 33.39723 11.20547 23.04557       13.73641 
1 1 1 11 33 13 o 36.60595 7.213801 14.53743       6.309471      25.09336       8.749379      3.975122       9.096521      47.15695 9.610082 26.05495 10.76114 21.10200       14.42760 
1 1 1 11 33 14 o 33.46667 7.630984 12.09327       6.244294      18.03010       8.451830      6.150779       9.195704      39.28608 10.53699 27.64727 11.04081 11.63881       15.26197 
1 1 1 11 33 15 o 64.54966 5.329837 44.54036       6.873399      45.56054       9.443663      43.52020       9.989170      65.46439 7.212824 63.63493 7.848811 1.829464       10.65967 
1 1 1 11 33 16 o 26.58178 7.562546 5.924782       6.168490      4.788426       8.359732      7.061139       9.075267      25.41376 10.37708 27.74980 11.00385 -2.336040      15.12509 
1 1 1 11 33 17 o 24.74191 7.297804 1.236248       6.592852      9.096521       8.983169      -6.623316      9.656199      29.32551 11.12103 20.15830 9.452751 9.167206       14.59561 
1 1 1 11 33 18 o 26.36637 7.997288 3.195826       7.729208      5.637151       9.790804      0.7537927      11.95867      26.97333 11.15378 25.75941 11.46384 1.213919       15.99458 
1 1 1 11 33 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 33 20 o 17.99310 6.133595 -11.96575      7.015798      -4.910988      8.218040      -19.02193      11.37774      18.46305 8.669044 17.52315 8.679381 0.9398956      12.26719 
1 1 1 11 33 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 33 22 o 15.65022 5.393060 -10.20879      5.413989      -12.14995      7.580434      -8.267632      7.736294      14.89442 7.332627 16.40603 7.910308 -1.511610      10.78612 
1 1 1 11 33 23 o 22.29230 6.709907 3.837683       5.350936      0.5221289      7.318307      7.155363       7.807138      19.75038 8.873683 24.83421 10.06723 -5.083830      13.41981 
1 1 1 11 33 24 o 24.21829 6.657607 6.130942       5.158237      12.31998       7.091603      -0.5977208E-01 7.488335      29.25228 10.03818 19.18430 8.748133 10.06798       13.31521 
1 1 1 11 33 25 o 25.11544 6.858805 8.891070       4.918072      7.389152       6.914490      10.40007       6.995253      23.66769 9.523623 26.56318 9.872863 -2.895487      13.71761 
1 1 1 11 33 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 34 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 34 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 34 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 34 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 34 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 34 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 34 6  o 62.07298 9.759629 47.11205       11.85240      47.60087       18.12220      46.62321       15.28131      61.45511 14.88137 62.69085 12.63116 -1.235733      19.51926 
1 1 1 11 34 7  o 31.71930 7.459908 7.105771       6.923699      19.94292       9.266549      -5.729958      10.28672      41.52758 10.98571 21.91101 10.09530 19.61656       14.91982 
1 1 1 11 34 8  o 39.84895 8.102209 18.44808       6.803263      18.14345       9.642029      18.75272       9.599521      39.52805 11.50471 40.16985 11.41162 -0.6417961     16.20442 
1 1 1 11 34 9  o 46.59453 7.189927 24.97293       6.769965      15.37340       9.535762      34.57244       9.606606      36.46734 11.62196 56.72172 8.468190 -20.25438      14.37985 
1 1 1 11 34 10 o 88.46657 4.311034 81.61364       7.622942      85.08506       10.70471      78.14223       10.84640      90.45316 5.917265 86.47997 6.271046 3.973190       8.622067 
1 1 1 11 34 11 o 38.08364 7.963884 17.14453       6.505713      15.51509       9.075267      18.78106       9.323226      36.36070 11.29886 39.80659 11.22629 -3.445892      15.92777 
1 1 1 11 34 12 o 26.00070 7.554778 4.326515       6.346311      2.033257       8.784801      6.619773       9.167366      24.13065 10.29753 27.87074 11.05710 -3.740088      15.10956 
1 1 1 11 34 13 f 20.68714 6.684799 -4.232291      6.322224      -0.6570182E-01 8.664365      -8.402238      9.209873      22.39729 9.886178 18.97699 9.000534 3.420303       13.36960 
1 1 1 11 34 14 o 34.02439 8.394651 13.41808       7.424574      18.76689       9.932493      8.069265       11.03059      38.58714 11.78622 29.46165 11.95682 9.125494       16.78930 
1 1 1 11 34 15 o 32.00092 8.689857 11.27855       7.863815      7.899237       9.762465      14.65787       12.32706      28.90529 11.42837 35.09653 13.09377 -6.191240      17.37971 
1 1 1 11 34 16 o 43.26923 17.73893 0.000000       0.000000      ?              ?             47.90551       24.52660      ?        ?        43.26923 17.73893 ?              ?        
1 1 1 11 34 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 34 18 o 18.76503 6.250005 -6.155738      6.101895      -10.83223      8.118857      -1.477830      9.110690      16.22542 7.887425 21.30463 9.697358 -5.079203      12.50001 
1 1 1 11 34 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 34 20 o 53.05508 5.747662 33.01385       6.113231      29.69122       8.118857      36.32941       9.139028      50.45945 8.044932 55.65072 8.211061 -5.191265      11.49532 
1 1 1 11 34 21 o 34.47337 7.426676 16.71946       5.816390      21.04102       8.019674      12.39791       8.423491      39.34563 10.13234 29.60111 10.86084 9.744524       14.85335 
1 1 1 11 34 22 o 21.00102 6.541731 2.723289       5.338893      2.257128       7.289969      3.190158       7.800055      20.51095 9.058990 21.49110 9.439899 -0.9801483     13.08346 
1 1 1 11 34 23 o 19.49965 6.190174 1.497667       5.041343      -0.4007712     6.806097      3.396318       7.438744      18.07751 8.279981 20.92179 9.204071 -2.844284      12.38035 
1 1 1 11 34 24 o 17.36751 5.695170 -0.7970083     4.789134      0.2014837      6.497920      -1.795925      7.037052      17.65453 8.087962 17.08049 8.020268 0.5740395      11.39034 
1 1 1 11 35 0  o 31.16029 15.94940 16.38649       12.45458      16.38649       12.45458      16.38649       12.45458      31.16029 15.94940 31.16029 15.94940 0.000000       0.000000 
1 1 1 11 35 1  o 35.27492 8.823045 11.68237       8.798972      -0.3929782     12.41916      23.75439       12.46875      26.53335 11.75786 44.01649 13.15817 -17.48314      17.64609 
1 1 1 11 35 2  o 65.98035 6.643654 47.80632       8.806056      45.08587       10.40716      50.52678       14.21154      64.89334 8.018662 67.06734 10.59498 -2.174004      13.28731 
1 1 1 11 35 3  o 22.23760 7.095831 -2.768630      6.725333      -4.855729      9.046929      -0.6817432     9.953747      20.61394 9.485407 23.86126 10.55606 -3.247326      14.19166 
1 1 1 11 35 4  o 93.42959 4.340441 91.03606       8.111773      92.87803       11.56902      89.26492       11.37065      94.36148 6.130159 92.49770 6.146451 1.863785       8.680882 
1 1 1 11 35 5  o 30.56539 7.698066 8.692703       6.478083      1.549384       9.273635      15.84098       9.046929      24.41701 10.50490 36.71378 11.25558 -12.29676      15.39613 
1 1 1 11 35 6  o 38.08484 7.860509 16.80448       6.716123      10.59844       9.790804      23.01051       9.195704      31.71859 11.70184 44.45108 10.49844 -12.73249      15.72102 
1 1 1 11 35 7  o 23.29988 7.250963 -0.9153197     6.689201      2.992500       9.464915      -4.823140      9.457831      25.51933 10.78091 21.08042 9.699370 4.438913       14.50193 
1 1 1 11 35 8  o 27.55185 7.775766 6.072140       6.563097      2.990375       9.139028      9.153197       9.415324      25.06576 10.59171 30.03794 11.38709 -4.972179      15.55153 
1 1 1 11 35 9  o 25.00338 7.445333 1.984373       6.683534      -4.430658      9.301972      8.402238       9.599521      20.81154 9.592986 29.19522 11.38888 -8.383675      14.89067 
1 1 1 11 35 10 o 21.73942 7.151072 -8.657280      7.814223      -20.41758      10.30089      3.099477       11.74613      16.60331 8.232190 26.87552 11.69540 -10.27221      14.30214 
1 1 1 11 35 11 o 23.42242 7.565473 -3.048468      7.955913      -1.743500      10.28672      -4.353436      12.14286      23.10509 10.44293 23.73975 10.94946 -0.6346607     15.13095 
1 1 1 11 35 12 o 24.52638 7.783341 -3.277298      8.373900      3.917030       10.71179      -10.47092      12.87965      26.75291 11.39234 22.29985 10.60831 4.453064       15.56668 
1 1 1 11 35 13 o 36.49424 10.71747 27.36041       13.35432      48.83358       22.69171      5.890069       14.09111      45.83142 17.58883 27.15706 12.25112 18.67436       21.43495 
1 1 1 11 35 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 35 15 o 28.36239 7.681034 9.216957       6.694869      0.7814224      9.231127      17.66170       9.698705      21.94450 9.906866 34.78028 11.74083 -12.83578      15.36207 
1 1 1 11 35 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 35 17 o 21.45160 6.686033 1.494125       5.639277      -1.040716      7.700871      4.028256       8.239295      19.62924 8.929625 23.27395 9.953590 -3.644705      13.37207 
1 1 1 11 35 18 o 39.83418 7.112817 20.94892       5.729958      16.92491       7.877984      24.98001       8.324308      35.45546 10.42488 44.21290 9.679388 -8.757439      14.22563 
1 1 1 11 35 19 o 23.30304 6.880817 5.181617       5.424615      6.689201       7.204955      3.674739       8.111773      24.21559 9.730920 22.39049 9.730970 1.825104       13.76163 
1 1 1 11 35 20 o 24.69907 6.996948 7.509589       5.354478      4.699161       7.509589      10.32214       7.630026      22.30830 9.520381 27.08985 10.25629 -4.781542      13.99390 
1 1 1 11 35 21 o 22.71953 6.717089 5.541510       5.287176      0.8345562      7.119940      10.25130       7.814223      19.07955 8.652308 26.35950 10.27690 -7.279953      13.43418 
1 1 1 11 35 22 o 18.48269 5.850910 -1.023713      4.909571      6.507129       6.739501      -8.558097      7.141194      22.36014 9.250529 14.60524 7.166609 7.754893       11.70182 
1 1 1 11 36 0  o 48.40764 11.93835 29.18113       9.996255      29.18113       9.996255      29.18113       9.996255      48.40764 11.93835 48.40764 11.93835 0.000000       0.000000 
1 1 1 11 36 1  o 20.60542 6.753130 -6.781301      6.854271      -13.60936      9.698705      0.4686408E-01  9.691620      17.74170 8.623326 23.46914 10.39506 -5.727438      13.50626 
1 1 1 11 36 2  o 20.75634 6.829286 -7.183701      7.155363      -12.97884      10.95975      -1.383606      9.195704      19.38758 9.363961 22.12510 9.943481 -2.737520      13.65857 
1 1 1 11 36 3  o 40.26754 8.595065 19.12820       8.912323      33.46018       12.00826      4.799053       13.17012      51.75343 11.85089 28.78165 12.45218 22.97177       17.19013 
1 1 1 11 36 4  o 30.75525 8.990591 8.614774       9.224042      8.239295       15.09711      8.990252       10.61261      31.58597 13.48984 29.92453 11.88895 1.661440       17.98118 
1 1 1 11 36 5  o 26.30994 8.364356 0.1611019      9.316141      0.7502505      10.95267      -0.4283299     15.06877      24.98054 11.05935 27.63934 12.55152 -2.658798      16.72871 
1 1 1 11 36 6  o 77.87653 7.269283 71.27025       11.33523      53.70773       14.33906      88.76900       17.55543      67.84987 10.56676 87.90318 9.985665 -20.05331      14.53857 
1 1 1 11 36 7  o 53.16799 9.341759 36.44984       10.06710      35.33757       11.80989      37.55503       16.31564      54.05300 11.29184 52.28298 14.88516 1.770016       18.68352 
1 1 1 11 36 8  o 31.24458 8.767433 8.820225       8.813140      -2.231623      11.32814      19.87207       13.49601      23.80618 10.82993 38.68298 13.79073 -14.87679      17.53487 
1 1 1 11 36 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 36 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 36 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 36 12 o 39.48363 8.011437 21.06227       6.905988      15.21754       9.719957      26.90700       9.812057      33.52913 11.72817 45.43813 10.91708 -11.90899      16.02287 
1 1 1 11 36 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 36 14 o 28.07336 7.616357 10.03168       6.011921      8.210957       8.133026      11.85240       8.855647      26.41858 10.43556 29.72814 11.09661 -3.309553      15.23271 
1 1 1 11 36 15 o 28.37089 7.488361 10.13795       5.749086      11.55485       8.055097      8.721042       8.203872      29.70588 10.64779 27.03589 10.53218 2.669985       14.97672 
1 1 1 11 36 16 o 24.14909 6.858062 5.251045       5.477749      -0.8905239     7.665448      11.39190       7.828392      19.39128 8.844798 28.90689 10.48340 -9.515602      13.71612 
1 1 1 11 36 17 o 26.40415 7.264629 9.181536       5.532300      7.459997       7.530843      10.89599       8.104689      24.84129 9.962575 27.96702 10.57575 -3.125734      14.52926 
1 1 1 11 36 18 o 29.11942 7.375726 12.67420       5.464997      12.90091       7.637110      12.44041       7.821308      29.39669 10.38469 28.84215 10.47681 0.5545368      14.75145 
1 1 1 11 36 19 o 18.48998 5.998821 -0.9514508     5.158946      -5.800803      7.072474      3.897193       7.509589      15.75496 7.588261 21.22500 9.293101 -5.470038      11.99764 
1 1 1 11 36 20 o 34.90457 7.108387 19.02901       5.289301      21.50859       7.445828      16.54943       7.516674      37.90786 9.763699 31.90127 10.33377 6.006594       14.21677 
1 1 1 11 37 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 37 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 37 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 37 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 37 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 37 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 37 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 37 7  f 20.66160 6.813381 -5.328974      7.119940      -11.85948      10.18045      1.197992       9.953747      18.16336 8.830353 23.15984 10.37851 -4.996483      13.62676 
1 1 1 11 37 8  o 30.88138 7.614830 7.615856       7.467082      24.80998       10.79680      -9.585353      10.31506      42.53455 12.10843 19.22822 9.237350 23.30633       15.22966 
1 1 1 11 37 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 37 10 o 22.50409 7.163339 0.8182618      6.865606      3.552886       9.337394      -1.915654      10.06710      23.63292 10.35484 21.37526 9.901063 2.257656       14.32668 
1 1 1 11 37 11 o 35.07012 7.248777 16.17395       6.613398      1.185240       8.345562      31.15771       10.26547      21.64264 9.608482 48.49760 10.85616 -26.85496      14.49755 
1 1 1 11 37 12 o 18.87236 6.220396 -5.617314      5.955245      -14.25405      7.984251      3.015879       8.841478      14.75411 7.298830 22.99062 10.07474 -8.236507      12.44079 
1 1 1 11 37 13 o 26.82602 7.287981 8.947746       5.693118      12.02951       7.736294      5.867398       8.352647      29.49363 10.44857 24.15841 10.16297 5.335217       14.57596 
1 1 1 11 37 14 o 17.91022 5.960271 -4.268422      5.574807      -7.828392      7.750463      -0.7074599     8.012589      16.20242 7.833970 19.61802 8.984890 -3.415592      11.92054 
1 1 1 11 37 15 o 26.64064 7.139152 9.564099       5.464289      13.25513       7.523758      5.872357       7.927575      30.00607 10.33539 23.27521 9.851383 6.730860       14.27830 
1 1 1 11 37 16 o 24.48602 6.440180 5.193660       5.257421      -6.176991      7.254546      16.56360       7.608772      15.87575 7.655962 33.09628 10.35808 -17.22054      12.88036 
1 1 1 11 37 17 o 18.70285 6.078606 0.2190533      5.213497      1.441699       7.261631      -1.003168      7.481250      19.27017 8.738404 18.13553 8.452107 1.134642       12.15721 
1 1 1 11 37 18 o 18.56670 5.972240 0.7530842      5.023631      4.985375       6.955580      -3.479915      7.254546      20.78222 9.021091 16.35117 7.828826 4.431047       11.94448 
1 1 1 11 38 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 38 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 11 38 2  o 27.64925 8.174741 4.378940       8.806056      16.98159       11.30689      -8.225125      13.49601      33.48052 12.53045 21.81797 10.50207 11.66255       16.34948 
1 1 1 11 38 3  o 16.04142 5.657955 -20.55219      7.240376      -13.16303      10.42841      -27.94134      10.06001      17.81985 8.720911 14.26299 7.210793 3.556861       11.31591 
1 1 1 11 38 4  o 21.69081 7.020100 -0.7516674     6.856396      4.302428       10.66928      -5.805762      8.614774      25.00163 11.01079 18.37999 8.711473 6.621637       14.04020 
1 1 1 11 38 5  o 27.15816 7.781249 7.906322       6.784134      10.95975       8.947746      4.853603       10.19462      29.15655 11.08673 25.15977 10.92134 3.996782       15.56250 
1 1 1 11 38 6  o 45.82870 7.129987 27.26831       6.410071      21.38107       8.869816      33.15554       9.252379      39.81920 10.84613 51.83821 9.257880 -12.01902      14.25997 
1 1 1 11 38 7  o 23.78924 7.160635 4.624773       5.983583      4.648152       8.295970      4.602103       8.621859      23.70135 10.05701 23.87712 10.19584 -0.1757641     14.32127 
1 1 1 11 38 8  o 21.76332 6.740824 1.853310       5.756171      -2.298926      8.097604      6.006254       8.189702      19.17020 8.879759 24.35645 10.14420 -5.186249      13.48165 
1 1 1 11 38 9  o 24.64665 7.130854 5.947453       5.887234      0.6502879      8.345562      11.24313       8.310139      20.77080 9.396048 28.52250 10.72896 -7.751705      14.26171 
1 1 1 11 38 10 f 20.04472 6.431880 -0.5516006E-02 5.652028      1.838432       7.870899      -1.849059      8.111773      20.94308 9.310980 19.14636 8.875923 1.796722       12.86376 
1 1 1 11 38 11 o 18.75400 6.154070 -2.303177      5.620148      -5.780967      8.140111      1.174613       7.750463      17.28794 8.281084 20.22005 9.105710 -2.932108      12.30814 
1 1 1 11 38 12 o 24.10560 6.932202 6.382442       5.608104      0.9415324      8.062181      11.82406       7.800055      20.07031 9.131988 28.14089 10.43209 -8.070585      13.86440 
1 1 1 11 38 13 o 19.97010 6.363616 0.3701660      5.623690      -5.007337      8.161365      5.747669       7.736294      17.26550 8.275520 22.67469 9.669448 -5.409193      12.72723 
1 1 1 11 38 14 o 24.41806 7.274863 8.338477       6.187618      3.426073       8.196787      13.24096       9.266549      20.99978 9.414132 27.83635 11.09363 -6.836573      14.54973 
1 1 1 11 38 15 o 27.31118 7.443807 12.68837       6.143694      18.20012       8.529759      7.183701       8.848563      31.83774 11.00098 22.78462 10.03093 9.053120       14.88761 
1 1 1 11 39 0  o 23.65596 12.81938 10.81097       8.388069      10.81097       8.388069      10.81097       8.388069      23.65596 12.81938 23.65596 12.81938 0.000000       0.000000 
1 1 1 11 39 1  o 24.91116 7.120490 6.669365       5.768215      11.33523       8.069265      2.006335       8.246379      28.46699 10.59909 21.35534 9.511296 7.111650       14.24098 
1 1 1 11 39 2  o 35.97109 7.667332 18.88733       6.048761      15.51509       8.352647      22.26664       8.756464      32.49348 10.89566 39.44870 10.79057 -6.955215      15.33466 
1 1 1 11 39 3  o 21.02401 6.604560 0.3806511      5.866689      7.148279       8.409323      -6.387401      8.182618      24.82269 10.30511 17.22532 8.263510 7.597372       13.20912 
1 1 1 11 39 4  f 29.57995 8.069288 13.23388       6.784134      14.01318       9.252379      12.45458       9.925409      30.31430 11.33708 28.84560 11.48583 1.468706       16.13858 
1 1 1 11 39 5  o 33.88332 8.526408 18.80939       7.693786      22.54293       9.861650      15.08294       11.81698      37.68872 11.79163 30.07792 12.31892 7.610796       17.05282 
1 1 1 11 39 6  o 19.83637 6.568790 -2.260670      6.582225      2.672988       9.578268      -7.197870      9.032760      22.12358 10.03395 17.54917 8.480317 4.574409       13.13758 
1 1 1 11 39 7  o 26.30154 7.659351 9.911241       6.539719      11.49109       9.089437      8.331393       9.401155      27.45532 10.97244 25.14777 10.68963 2.307556       15.31870 
1 1 1 11 39 8  o 25.13090 7.140738 7.289969       6.201787      18.96525       9.776634      -4.382482      7.630026      33.24471 11.74905 17.01708 8.119128 16.22762       14.28148 
1 1 1 11 39 9  o 29.38676 7.457561 13.08510       6.132358      7.948828       9.344479      18.22846       7.948828      24.46772 10.53602 34.30581 10.55713 -9.838093      14.91512 
1 1 1 11 39 10 o 28.40697 7.260393 12.66003       5.547885      17.30039       7.899237      8.012589       7.792970      32.83292 10.58931 23.98101 9.935778 8.851902       14.52079 
1 1 1 11 39 11 o 18.48306 6.057518 0.2289716      5.336767      -0.6779175     7.459997      1.135648       7.637110      17.95130 8.394812 19.01483 8.735057 -1.063530      12.11504 
1 1 1 11 40 0  o 14.27926 9.649821 0.1950368      7.778800      0.1950368      7.778800      0.1950368      7.778800      14.27926 9.649821 14.27926 9.649821 -0.000000      0.000000 
1 1 1 11 40 1  o 22.13464 6.615555 3.297843       5.714372      11.34231       7.672533      -4.745918      8.473083      26.86047 10.25095 17.40882 8.365427 9.451653       13.23111 
1 1 1 11 40 2  o 21.19848 6.537443 1.706660       5.857479      -6.214540      8.827310      9.627860       7.707955      17.15687 8.306681 25.24010 10.09711 -8.083235      13.07489 
1 1 1 11 40 3  o 25.01295 6.992219 9.146112       5.387067      4.585100       7.389152      13.70146       7.842561      21.19079 9.248637 28.83511 10.48939 -7.644323      13.98444 
1 1 1 11 40 4  o 20.01229 6.353493 2.376147       5.411155      -1.288674      7.608772      6.040260       7.693786      17.87217 8.382565 22.15240 9.549875 -4.280230      12.70699 
1 1 1 11 40 5  o 24.62726 6.964761 9.195704       5.373607      13.10636       7.658363      5.290009       7.537927      27.86277 10.33533 21.39175 9.338771 6.471022       13.92952 
1 1 1 11 40 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 0  0  o 625.2534 13.13946 3920.572       164.1483      3920.572       164.1483      3920.572       164.1483      625.2534 13.13946 625.2534 13.13946 0.000000       0.000000 
1 1 1 12 0  1  o 455.2153 5.658334 2074.347       51.49736      2074.347       51.49736      2074.347       51.49736      455.2153 5.658334 455.2153 5.658334 -0.000000      0.000000 
1 1 1 12 0  2  o 547.0876 6.677704 2996.751       73.04137      2996.751       73.04137      2996.751       73.04137      547.0876 6.677704 547.0876 6.677704 0.000000       0.000000 
1 1 1 12 0  3  o 536.4515 6.561751 2881.273       70.37760      2881.273       70.37760      2881.273       70.37760      536.4515 6.561751 536.4515 6.561751 -0.000000      0.000000 
1 1 1 12 0  4  o 545.3458 6.660051 2977.623       72.61631      2977.623       72.61631      2977.623       72.61631      545.3458 6.660051 545.3458 6.660051 0.000000       0.000000 
1 1 1 12 0  5  o 145.7169 2.851472 212.6064       8.303054      212.6064       8.303054      212.6064       8.303054      145.7169 2.851472 145.7169 2.851472 -0.000000      0.000000 
1 1 1 12 0  6  o 303.9408 4.062032 924.5295       24.68246      924.5295       24.68246      924.5295       24.68246      303.9408 4.062032 303.9408 4.062032 0.000000       0.000000 
1 1 1 12 0  7  o 86.57269 3.728919 75.37926       6.430617      75.37926       6.430617      75.37926       6.430617      86.57269 3.728919 86.57269 3.728919 0.000000       0.000000 
1 1 1 12 0  8  o 193.4117 3.107952 374.4168       12.01534      374.4168       12.01534      374.4168       12.01534      193.4117 3.107952 193.4117 3.107952 -0.000000      0.000000 
1 1 1 12 0  9  o 313.8047 4.181647 985.4564       26.23397      985.4564       26.23397      985.4564       26.23397      313.8047 4.181647 313.8047 4.181647 -0.000000      0.000000 
1 1 1 12 0  10 o 110.3023 2.876295 121.9245       6.335684      121.9245       6.335684      121.9245       6.335684      110.3023 2.876295 110.3023 2.876295 -0.000000      0.000000 
1 1 1 12 0  11 o 140.0668 2.885763 196.4537       8.076350      196.4537       8.076350      196.4537       8.076350      140.0668 2.885763 140.0668 2.885763 -0.000000      0.000000 
1 1 1 12 0  12 o 436.9352 5.476624 1910.694       47.84175      1910.694       47.84175      1910.694       47.84175      436.9352 5.476624 436.9352 5.476624 -0.000000      0.000000 
1 1 1 12 0  13 o 656.2333 6.873175 4310.221       90.18591      4310.221       90.18591      4310.221       90.18591      656.2333 6.873175 656.2333 6.873175 0.000000       0.000000 
1 1 1 12 0  14 o 600.3947 6.326251 3607.437       75.94603      3607.437       75.94603      3607.437       75.94603      600.3947 6.326251 600.3947 6.326251 0.000000       0.000000 
1 1 1 12 0  15 o 738.0903 7.685424 5453.662       113.4231      5453.662       113.4231      5453.662       113.4231      738.0903 7.685424 738.0903 7.685424 0.000000       0.000000 
1 1 1 12 0  16 o 185.8241 4.009170 345.8661       14.88457      345.8661       14.88457      345.8661       14.88457      185.8241 4.009170 185.8241 4.009170 0.000000       0.000000 
1 1 1 12 0  17 f 275.0279 4.840942 757.3350       26.60945      757.3350       26.60945      757.3350       26.60945      275.0279 4.840942 275.0279 4.840942 0.000000       0.000000 
1 1 1 12 0  18 o 469.5956 5.123210 2206.827       48.10388      2206.827       48.10388      2206.827       48.10388      469.5956 5.123210 469.5956 5.123210 0.000000       0.000000 
1 1 1 12 0  19 o 434.9131 4.790418 1892.983       41.65696      1892.983       41.65696      1892.983       41.65696      434.9131 4.790418 434.9131 4.790418 0.000000       0.000000 
1 1 1 12 0  20 o 333.4861 3.954722 1112.978       26.36857      1112.978       26.36857      1112.978       26.36857      333.4861 3.954722 333.4861 3.954722 0.000000       0.000000 
1 1 1 12 0  21 o 228.0579 3.057984 520.4996       13.94233      520.4996       13.94233      520.4996       13.94233      228.0579 3.057984 228.0579 3.057984 0.000000       0.000000 
1 1 1 12 0  22 o 218.6061 2.995730 478.2758       13.09219      478.2758       13.09219      478.2758       13.09219      218.6061 2.995730 218.6061 2.995730 0.000000       0.000000 
1 1 1 12 0  23 o 56.93555 4.869477 33.15554       5.467123      33.15554       5.467123      33.15554       5.467123      56.93555 4.869477 56.93555 4.869477 -0.000000      0.000000 
1 1 1 12 0  24 o 285.2375 3.954553 814.7195       22.55002      814.7195       22.55002      814.7195       22.55002      285.2375 3.954553 285.2375 3.954553 -0.000000      0.000000 
1 1 1 12 0  25 o 114.8231 3.064816 132.1971       7.027133      132.1971       7.027133      132.1971       7.027133      114.8231 3.064816 114.8231 3.064816 -0.000000      0.000000 
1 1 1 12 0  26 o 212.4570 3.368137 452.0631       14.30364      452.0631       14.30364      452.0631       14.30364      212.4570 3.368137 212.4570 3.368137 0.000000       0.000000 
1 1 1 12 0  27 o 218.2513 3.402074 477.1423       14.84206      477.1423       14.84206      477.1423       14.84206      218.2513 3.402074 218.2513 3.402074 -0.000000      0.000000 
1 1 1 12 0  28 o 16.49568 9.046418 3.886566       4.217413      3.886566       4.217413      3.886566       4.217413      16.49568 9.046418 16.49568 9.046418 0.000000       0.000000 
1 1 1 12 0  29 o 18.81324 9.385367 5.286468       4.257087      5.286468       4.257087      5.286468       4.257087      18.81324 9.385367 18.81324 9.385367 -0.000000      0.000000 
1 1 1 12 0  30 o 50.31056 4.685431 26.04269       4.638234      26.04269       4.638234      26.04269       4.638234      50.31056 4.685431 50.31056 4.685431 0.000000       0.000000 
1 1 1 12 0  31 o 25.63317 9.344827 8.820225       4.397360      8.820225       4.397360      8.820225       4.397360      25.63317 9.344827 25.63317 9.344827 -0.000000      0.000000 
1 1 1 12 0  32 o 43.48098 5.430050 19.17779       4.784175      19.17779       4.784175      19.17779       4.784175      43.48098 5.430050 43.48098 5.430050 -0.000000      0.000000 
1 1 1 12 0  33 o 237.6790 4.423811 567.6824       21.01268      567.6824       21.01268      567.6824       21.01268      237.6790 4.423811 237.6790 4.423811 0.000000       0.000000 
1 1 1 12 0  34 o 155.0974 3.461650 241.5820       10.72596      241.5820       10.72596      241.5820       10.72596      155.0974 3.461650 155.0974 3.461650 -0.000000      0.000000 
1 1 1 12 0  35 o 67.58559 4.753962 46.63030       6.361897      46.63030       6.361897      46.63030       6.361897      67.58559 4.753962 67.58559 4.753962 0.000000       0.000000 
1 1 1 12 0  36 o 116.1046 3.623104 135.7394       8.395153      135.7394       8.395153      135.7394       8.395153      116.1046 3.623104 116.1046 3.623104 -0.000000      0.000000 
1 1 1 12 0  37 o 210.6054 3.638783 446.1121       15.31673      446.1121       15.31673      446.1121       15.31673      210.6054 3.638783 210.6054 3.638783 -0.000000      0.000000 
1 1 1 12 0  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 0  39 o 58.99417 4.571849 35.83349       5.330391      35.83349       5.330391      35.83349       5.330391      58.99417 4.571849 58.99417 4.571849 -0.000000      0.000000 
1 1 1 12 0  40 o 21.78345 10.23038 7.445828       4.966955      7.445828       4.966955      7.445828       4.966955      21.78345 10.23038 21.78345 10.23038 -0.000000      0.000000 
1 1 1 12 0  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 0  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 0  43 o 30.24589 8.430565 11.76030       4.407279      11.76030       4.407279      11.76030       4.407279      30.24589 8.430565 30.24589 8.430565 0.000000       0.000000 
1 1 1 12 0  44 o 15.18554 8.891417 3.752669       4.439159      3.752669       4.439159      3.752669       4.439159      15.18554 8.891417 15.18554 8.891417 0.000000       0.000000 
1 1 1 12 1  0  o 393.4854 4.328563 1549.384       34.05528      1549.384       34.05528      1549.384       34.05528      393.4854 4.328563 393.4854 4.328563 0.000000       0.000000 
1 1 1 12 1  1  o 224.6248 2.196891 504.7010       9.868733      503.3550       14.89166      506.1179       12.95050      224.3119 3.319409 224.9376 2.878687 -0.6256866     4.393781 
1 1 1 12 1  2  o 480.2034 3.928926 2308.844       37.74631      2320.180       57.27124      2296.801       49.18781      481.3808 5.948642 479.0259 5.134149 2.354919       7.857852 
1 1 1 12 1  3  o 126.1942 1.850473 159.4016       4.691368      167.9031       7.282885      150.9002       5.914864      129.5594 2.810634 122.8290 2.407765 6.730492       3.700945 
1 1 1 12 1  4  o 295.5389 2.625824 873.5211       15.50801      863.6028       23.23722      884.1478       20.54510      293.7924 3.954700 297.2853 3.455451 -3.492950      5.251647 
1 1 1 12 1  5  o 72.90122 2.154376 53.16930       3.145526      54.40910       4.754420      51.92951       4.120355      73.74996 3.223337 72.05248 2.859274 1.697479       4.308752 
1 1 1 12 1  6  o 443.8930 3.669624 1972.330       32.64546      2020.505       50.33550      1924.155       41.58612      449.2848 5.601736 438.5013 4.741848 10.78357       7.339248 
1 1 1 12 1  7  o 464.7252 3.811427 2161.487       35.40842      2143.775       53.19056      2179.198       46.74364      462.7954 5.746660 466.6551 5.008373 -3.859650      7.622854 
1 1 1 12 1  8  o 319.5533 2.797011 1021.588       17.86007      1008.835       26.73697      1034.340       23.69063      317.5503 4.209880 321.5562 3.683746 -4.005859      5.594021 
1 1 1 12 1  9  o 284.3936 2.572335 809.0520       14.63661      814.7195       22.28081      803.3843       18.99359      285.3832 3.903665 283.4040 3.350975 1.979248       5.144670 
1 1 1 12 1  10 o 162.2072 1.953966 263.4024       6.371816      278.3507       9.953747      248.3832       7.955913      166.8231 2.983325 157.5914 2.524223 9.231705       3.907931 
1 1 1 12 1  11 o 251.3237 2.378757 631.7973       11.97283      643.0616       18.35599      620.6038       15.38049      253.5525 3.619761 249.0948 3.087276 4.457687       4.757514 
1 1 1 12 1  12 o 649.0833 5.191998 4218.831       67.40919      4203.245       87.91887      4233.708       102.2296      647.9719 6.784157 650.1947 7.861460 -2.222778      10.38400 
1 1 1 12 1  13 o 688.0929 5.481632 4741.668       75.37926      4822.432       100.5293      4660.904       112.2896      694.0143 7.242596 682.1714 8.230309 11.84296       10.96326 
1 1 1 12 1  14 o 205.5006 2.162392 422.3790       8.876901      429.1801       11.77447      415.6487       13.29056      207.1492 2.842026 203.8521 3.259853 3.297119       4.324784 
1 1 1 12 1  15 o 431.1714 3.608050 1861.103       31.19313      1805.844       39.48910      1915.654       48.30224      424.8334 4.647598 437.5093 5.520139 -12.67587      7.216100 
1 1 1 12 1  16 o 601.8641 5.195778 3627.982       62.53504      3661.987       89.26492      3593.976       87.63548      604.6808 7.381161 599.0475 7.314569 5.633240       10.39156 
1 1 1 12 1  17 o 143.9201 2.345031 207.4347       6.760755      222.7372       10.03876      192.2030       9.061099      149.2220 3.363699 138.6182 3.268366 10.60388       4.690063 
1 1 1 12 1  18 o 719.3824 5.759672 5185.159       82.95970      5104.395       106.6928      5266.631       127.0962      713.8660 7.472890 724.8989 8.766480 -11.03290      11.51934 
1 1 1 12 1  19 o 143.4777 2.288588 206.0886       6.570890      218.4865       9.578268      193.7616       8.997337      147.7841 3.240629 139.1713 3.232469 8.612823       4.577175 
1 1 1 12 1  20 o 640.6305 5.167736 4113.979       66.31109      4182.700       101.5211      4045.260       85.29759      645.8644 7.859324 635.3966 6.712154 10.46777       10.33547 
1 1 1 12 1  21 o 138.6518 2.069245 192.4863       5.763256      203.7507       8.912323      181.2220       7.311223      142.7083 3.122566 134.5952 2.716004 8.113144       4.138489 
1 1 1 12 1  22 o 203.9402 2.197970 416.1446       8.969000      416.9239       13.53143      415.3653       11.76738      204.1236 3.314519 203.7569 2.887603 0.3666077      4.395940 
1 1 1 12 1  23 o 265.8236 2.857419 707.6725       15.18921      706.9641       24.78873      708.3101       17.55543      265.6337 4.665961 266.0136 3.299726 -0.3799133     5.714839 
1 1 1 12 1  24 o 111.9616 2.086999 125.4668       4.670823      124.6167       7.037052      126.3170       6.144402      111.5753 3.153499 112.3480 2.734540 -0.7727051     4.173999 
1 1 1 12 1  25 o 273.5026 2.559073 748.8336       14.00609      751.6674       21.23938      746.7082       18.24972      273.9243 3.876872 273.0809 3.341449 0.8433228      5.118146 
1 1 1 12 1  26 o 240.0254 2.520274 577.3174       12.10744      599.3502       17.64045      555.2845       16.58486      244.6024 3.605944 235.4483 3.521973 9.154053       5.040548 
1 1 1 12 1  27 f 158.0271 2.023030 250.2252       6.417865      262.6939       9.882903      237.7564       8.189702      161.9519 3.051185 154.1022 2.657230 7.849640       4.046060 
1 1 1 12 1  28 f 148.0228 2.156391 219.6201       6.387401      229.2550       9.280719      210.0560       8.777717      151.2570 3.067864 144.7885 3.031220 6.468475       4.312782 
1 1 1 12 1  29 o 96.85043 2.296140 94.36578       4.432783      83.17223       6.166365      105.5593       6.368981      91.07554 3.385302 102.6253 3.103026 -11.54980      4.592281 
1 1 1 12 1  30 o 57.06182 2.911089 32.72338       3.319805      33.29015       4.508587      32.15663       4.873440      57.56936 3.915788 56.55429 4.308638 1.015060       5.822178 
1 1 1 12 1  31 o 43.88613 4.369614 20.34674       3.513921      13.46058       5.125648      27.23289       4.808971      35.75212 7.416818 52.02014 4.622220 -16.26802      8.739228 
1 1 1 12 1  32 o 179.0612 2.174795 321.6371       7.785885      321.7079       10.41424      321.6371       11.58319      179.1019 2.907350 179.0204 3.235158 0.8154297E-01  4.349590 
1 1 1 12 1  33 o 27.83391 5.502082 8.097604       3.244001      9.989170       4.466080      6.201078       4.706245      30.67548 7.362206 24.99234 8.178603 5.683146       11.00416 
1 1 1 12 1  34 o 75.78841 3.011657 57.93010       4.563846      58.36934       6.334267      57.49086       6.573016      76.09016 4.162344 75.48667 4.353759 0.6034851      6.023315 
1 1 1 12 1  35 o 109.8518 2.464485 121.4995       5.409029      124.9001       7.467082      118.0989       7.828392      111.4168 3.350968 108.2868 3.614658 3.130035       4.928970 
1 1 1 12 1  36 o 83.89075 2.708735 71.12856       4.525590      76.86702       6.268381      65.39010       6.529800      87.32637 3.589054 80.45512 4.058039 6.871254       5.417471 
1 1 1 12 1  37 o 153.4900 2.323688 237.5439       7.127024      242.9990       9.649114      232.0180       10.48509      155.3294 3.106017 151.6506 3.456988 3.678787       4.647376 
1 1 1 12 1  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 1  39 o 60.09091 3.424297 37.40625       4.145860      30.53427       5.191535      44.27115       6.465331      54.55321 4.758230 65.62861 4.925695 -11.07540      6.848593 
1 1 1 12 1  40 f 70.52451 3.230605 51.41235       4.525590      55.59221       6.088435      47.23248       6.696286      73.59427 4.136487 67.45475 4.963539 6.139519       6.461211 
1 1 1 12 1  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 1  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 1  43 o 17.27614 5.003690 1.250417       2.966996      4.118939       3.991418      -1.617396      4.390275      19.89718 7.445260 14.65509 6.686984 5.242093       10.00738 
1 1 1 12 1  44 o 84.24858 2.709848 75.09589       4.558887      76.65448       6.135900      73.46645       6.743752      85.42200 3.591522 83.07515 4.058826 2.346855       5.419696 
1 1 1 12 2  0  o 342.0994 3.848815 1171.071       26.32607      1171.071       26.32607      1171.071       26.32607      342.0994 3.848815 342.0994 3.848815 -0.000000      0.000000 
1 1 1 12 2  1  o 456.1701 3.470352 2082.848       31.66780      2046.009       44.05862      2119.688       45.49677      452.1384 4.872249 460.2018 4.943134 -8.063324      6.940704 
1 1 1 12 2  2  o 560.4052 4.523679 3145.526       50.73932      3180.948       77.43378      3109.395       65.60972      563.5308 6.870412 557.2796 5.886607 6.251221       9.047359 
1 1 1 12 2  3  o 468.4343 3.840305 2196.200       35.97518      2195.492       54.37368      2197.618       47.12621      468.2868 5.805596 468.5818 5.028600 -0.2950439     7.680610 
1 1 1 12 2  4  o 358.2242 3.051760 1283.715       21.84865      1274.505       32.85799      1293.633       28.81982      356.8746 4.603577 359.5738 4.007498 -2.699158      6.103520 
1 1 1 12 2  5  o 380.7333 3.214984 1450.909       24.49118      1460.119       37.27165      1440.991       31.78823      381.9694 4.878879 379.4973 4.188203 2.472168       6.429969 
1 1 1 12 2  6  o 628.6885 5.386117 3959.537       67.74216      4054.469       97.97889      3865.313       93.58647      636.1855 7.700497 621.1916 7.532820 14.99390       10.77223 
1 1 1 12 2  7  o 647.5489 5.175357 4199.702       67.01246      4178.449       100.8835      4220.248       88.20225      645.8720 7.809871 649.2258 6.792880 -3.353760      10.35071 
1 1 1 12 2  8  o 302.1121 2.688778 913.9028       16.31564      956.4099       25.51135      870.6873       20.35382      309.1936 4.125465 295.0306 3.449442 14.16293       5.377556 
1 1 1 12 2  9  o 75.89070 2.249332 57.61130       3.418280      56.27233       4.507170      58.95736       5.141234      75.00732 3.004487 76.77408 3.348288 -1.766762      4.498664 
1 1 1 12 2  10 o 473.4886 3.889949 2243.667       36.84658      2235.166       48.09679      2251.460       55.83309      472.6501 5.087992 474.3273 5.885502 -1.677216      7.779897 
1 1 1 12 2  11 o 411.7036 3.446356 1696.034       28.43017      1659.903       36.41442      1732.165       43.66188      407.3340 4.469848 416.0732 5.246899 -8.739197      6.892712 
1 1 1 12 2  12 o 177.7354 2.038480 316.7488       7.311223      285.2227       8.898154      348.2749       11.61152      168.8712 2.634597 186.5995 3.111350 -17.72823      4.076960 
1 1 1 12 2  13 o 218.2855 2.210941 476.7172       9.634944      492.2323       12.97175      461.2021       14.24696      221.8416 2.923652 214.7294 3.317423 7.112213       4.421882 
1 1 1 12 2  14 o 389.3260 3.293140 1516.087       25.64596      1516.087       33.61604      1516.795       38.73106      389.2931 4.317575 389.3590 4.973695 -0.6591797E-01 6.586281 
1 1 1 12 2  15 o 605.4233 4.869671 3670.489       58.93610      3712.996       78.14223      3627.273       88.20225      609.0092 6.415522 601.8374 7.327748 7.171753       9.739343 
1 1 1 12 2  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 2  17 o 232.2158 2.396564 539.4152       11.12269      544.9412       14.66495      533.8893       16.72655      233.4101 3.141457 231.0215 3.620128 2.388611       4.793128 
1 1 1 12 2  18 o 180.2087 2.417020 325.3210       8.728126      301.0212       11.58319      349.6209       13.07094      173.4704 3.338663 186.9471 3.495893 -13.47662      4.834040 
1 1 1 12 2  19 o 318.0370 3.416414 1012.378       21.71405      1019.462       27.70755      1005.293       33.44601      319.1768 4.340470 316.8973 5.277106 2.279572       6.832827 
1 1 1 12 2  20 o 391.7819 3.576020 1536.632       28.03344      1493.416       38.53270      1580.556       40.72889      386.2337 4.988261 397.3300 5.125323 -11.09625      7.152040 
1 1 1 12 2  21 o 399.8396 3.626428 1600.393       28.99693      1586.932       40.67930      1614.562       41.34525      398.1161 5.108974 401.5631 5.148039 -3.446960      7.252857 
1 1 1 12 2  22 f 333.6317 3.140025 1114.395       20.94892      1120.771       29.74081      1108.019       29.52119      334.5858 4.444422 332.6775 4.436907 1.908234       6.280050 
1 1 1 12 2  23 o 67.34985 2.881656 45.45426       3.881608      43.41393       5.392026      47.48753       5.585434      65.83952 4.094825 68.86018 4.055634 -3.020653      5.763312 
1 1 1 12 2  24 o 441.5205 3.944702 1955.327       34.83458      1973.038       49.61996      1938.324       48.90443      443.4759 5.594438 439.5652 5.562819 3.910706       7.889404 
1 1 1 12 2  25 o 183.2385 2.540427 337.9315       9.216957      290.6778       13.24096      385.1852       12.83715      170.3402 3.886624 196.1368 3.272498 -25.79663      5.080855 
1 1 1 12 2  26 o 327.7101 2.913845 1076.847       19.07861      1094.558       25.55386      1058.427       28.33807      330.5054 3.865876 324.9149 4.360845 5.590454       5.827689 
1 1 1 12 2  27 o 187.1259 2.155145 350.7545       8.076350      343.7408       10.57718      357.7682       12.20662      185.2731 2.854486 188.9787 3.229630 -3.705582      4.310290 
1 1 1 12 2  28 o 84.05731 2.303717 70.84518       3.876648      68.91111       5.211371      72.75800       5.741293      82.92268 3.142308 85.19195 3.369622 -2.269272      4.607434 
1 1 1 12 2  29 o 199.3720 2.211654 398.5042       8.834394      386.6730       11.56193      410.3353       13.36140      196.4383 2.942892 202.3058 3.302279 -5.867493      4.423309 
1 1 1 12 2  30 o 124.2523 2.249477 154.8676       5.595352      158.5515       8.317224      151.1836       7.488335      125.7155 3.307956 122.7893 3.049263 2.926201       4.498953 
1 1 1 12 2  31 o 81.66927 2.597718 66.96995       4.243626      67.30292       6.291760      66.63698       5.697370      81.85671 3.843155 81.48182 3.496099 0.3748932      5.195435 
1 1 1 12 2  32 o 109.8894 2.723825 121.4995       6.011921      114.6983       7.658363      128.2298       9.266549      106.8637 3.583238 112.9151 4.103328 -6.051315      5.447650 
1 1 1 12 2  33 o 73.41330 2.975550 54.28157       4.361938      53.04887       6.514922      55.50719       5.802220      72.54665 4.490161 74.27995 3.905644 -1.733299      5.951101 
1 1 1 12 2  34 o 126.2474 2.670931 161.1728       6.790511      181.5053       10.52051      140.7694       8.586436      134.2254 3.918970 118.2693 3.630035 15.95612       5.341862 
1 1 1 12 2  35 o 43.37079 5.371730 19.99959       4.393109      14.99084       6.721791      25.00835       5.658404      37.17145 9.102015 49.57013 5.707474 -12.39868      10.74346 
1 1 1 12 2  36 o 99.33664 2.740516 99.67917       5.416114      94.08241       8.175533      105.2759       7.105771      96.45516 4.237997 102.2181 3.475788 -5.762962      5.481033 
1 1 1 12 2  37 o 134.9315 2.527016 183.8432       6.830184      188.8024       10.24421      178.8841       9.032760      136.6881 3.747295 133.1749 3.391315 3.513199       5.054032 
1 1 1 12 2  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 2  39 o 60.33403 3.677848 37.58337       4.389567      34.60078       6.757213      40.56595       5.605979      57.69222 5.856261 62.97585 4.450896 -5.283627      7.355696 
1 1 1 12 2  40 o 135.6959 2.463591 187.6689       6.647403      180.1593       10.36465      195.1785       8.331393      132.6561 3.906586 138.7356 3.002615 -6.079529      4.927181 
1 1 1 12 2  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 2  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 2  43 o 20.99518 5.428779 4.264880       3.219205      1.982956       5.090226      6.546803       3.941826      18.56054 7.876822 23.42983 7.472766 -4.869293      10.85756 
1 1 1 12 2  44 o 56.06437 2.847553 33.48143       3.197951      35.77682       4.728208      31.19313       4.305970      57.94047 4.080228 54.18826 3.973157 3.752209       5.695107 
1 1 1 12 3  0  o 247.6162 3.060983 613.5193       15.15378      613.5193       15.15378      613.5193       15.15378      247.6162 3.060983 247.6162 3.060983 -0.000000      0.000000 
1 1 1 12 3  1  o 37.09653 3.213164 13.77939       2.382523      13.28347       3.370814      14.26822       3.368688      36.43288 4.626059 37.76018 4.460636 -1.327293      6.426329 
1 1 1 12 3  2  f 382.5496 2.988268 1464.370       22.86882      1476.414       32.58878      1452.326       32.07870      384.1218 4.241985 380.9773 4.210054 3.144501       5.976537 
1 1 1 12 3  3  o 166.8173 1.800758 278.5632       6.011213      262.8356       8.203872      294.2909       8.791886      162.1045 2.530427 171.5300 2.562783 -9.425522      3.601516 
1 1 1 12 3  4  o 305.4313 2.707548 933.7395       16.56360      947.9085       25.34132      918.8620       21.32440      307.7963 4.116573 303.0663 3.518108 4.730011       5.415096 
1 1 1 12 3  5  o 318.7601 2.793796 1016.628       17.83173      1032.214       27.30373      1001.042       22.94675      321.1917 4.250380 316.3285 3.627044 4.863129       5.587592 
1 1 1 12 3  6  o 240.7866 2.308771 580.0095       11.10144      594.2493       14.89874      565.8405       16.46442      243.7398 3.056280 237.8333 3.461336 5.906494       4.617541 
1 1 1 12 3  7  o 635.3973 5.088430 4043.134       64.66747      4054.469       84.94337      4031.091       97.48296      636.3761 6.673991 634.4186 7.682859 1.957520       10.17686 
1 1 1 12 3  8  o 195.2751 2.084414 381.4304       8.133026      387.9482       10.81097      374.9127       12.14995      196.9463 2.744650 193.6039 3.137836 3.342422       4.168827 
1 1 1 12 3  9  o 719.0669 5.720365 5178.074       82.18040      5243.252       109.1724      5112.896       122.9164      723.6588 7.543087 714.4749 8.601869 9.183899       11.44073 
1 1 1 12 3  10 o 378.5902 3.214662 1433.906       24.34240      1431.781       31.88033      1436.032       36.79699      378.3208 4.213399 378.8596 4.856282 -0.5387878     6.429324 
1 1 1 12 3  11 o 522.3244 4.251370 2730.373       44.39867      2740.292       58.35517      2720.455       66.93452      523.3017 5.575672 521.3471 6.419382 1.954590       8.502740 
1 1 1 12 3  12 o 240.7310 2.336848 579.7969       11.22896      597.0123       15.11128      562.5815       16.62028      244.3097 3.092648 237.1523 3.504137 7.157394       4.673697 
1 1 1 12 3  13 o 701.8403 5.597727 4932.950       78.63815      4892.568       102.0171      4972.623       119.6575      699.0645 7.296685 704.6163 8.490971 -5.551819      11.19545 
1 1 1 12 3  14 o 615.4613 4.947207 3792.343       60.89851      3802.261       79.98421      3781.716       91.81535      616.3411 6.488633 614.5816 7.469744 1.759460       9.894414 
1 1 1 12 3  15 o 422.2621 4.236877 1784.590       35.84058      1756.252       44.40576      1813.637       56.27941      418.9136 5.300109 425.6105 6.611609 -6.696899      8.473755 
1 1 1 12 3  16 o 230.5284 3.606427 532.6849       16.32273      489.3985       27.31082      575.9713       17.88132      221.1083 6.175892 239.9485 3.726075 -18.84021      7.212855 
1 1 1 12 3  17 o 431.3477 5.480513 1863.937       47.42376      1887.316       82.39294      1839.849       46.97744      433.9271 9.493871 428.7683 5.478185 5.158752       10.96103 
1 1 1 12 3  18 o 136.9985 2.636790 187.9523       7.176617      199.7126       9.316141      176.1920       10.92433      141.2953 3.296691 132.7017 4.116123 8.593674       5.273580 
1 1 1 12 3  19 o 494.0458 4.359499 2444.159       43.08095      2478.165       61.64239      2410.862       60.19715      497.4429 6.195927 490.6487 6.134445 6.794189       8.718998 
1 1 1 12 3  20 o 629.4755 5.425523 3972.998       68.28767      3976.540       96.63282      3969.455       96.56198      629.7563 7.672240 629.1948 7.673457 0.5615234      10.85105 
1 1 1 12 3  21 o 261.0157 2.672268 682.0974       13.96358      718.3701       20.54510      646.1081       18.92275      267.9296 3.834049 254.1018 3.723457 13.82776       5.344536 
1 1 1 12 3  22 o 531.8538 4.357048 2835.224       46.42484      2785.633       59.80042      2885.524       70.98687      527.2650 5.670812 536.4426 6.616446 -9.177551      8.714096 
1 1 1 12 3  23 o 157.0256 2.258620 246.8246       7.098687      254.2634       10.45675      239.4567       9.606606      159.3766 3.280515 154.6745 3.105426 4.702103       4.517240 
1 1 1 12 3  24 o 292.4073 2.891130 856.5182       16.91074      852.2675       24.00943      860.7689       23.81107      291.6784 4.115737 293.1363 4.061432 -1.457916      5.782260 
1 1 1 12 3  25 o 36.19585 4.729012 13.62353       3.367271      17.12328       5.175949      10.12378       4.308804      41.28236 6.268960 31.10934 7.081973 10.17301       9.458023 
1 1 1 12 3  26 o 113.5559 2.300056 129.1508       5.219872      126.6003       7.601687      131.7012       7.155363      112.4279 3.380696 114.6839 3.119603 -2.256004      4.600112 
1 1 1 12 3  27 o 72.69273 2.773699 53.01345       4.020463      50.47010       5.922657      55.56387       5.439492      70.93252 4.174853 74.45293 3.652974 -3.520416      5.547398 
1 1 1 12 3  28 o 145.4806 2.237901 212.1813       6.505713      207.5055       9.422408      216.7862       8.976085      143.8778 3.274448 147.0833 3.051361 -3.205490      4.475803 
1 1 1 12 3  29 o 183.4642 2.333504 337.4356       8.565183      338.5691       12.49000      336.3729       11.71779      183.7482 3.398674 183.1802 3.198433 0.5679932      4.667007 
1 1 1 12 3  30 o 184.8969 2.356388 342.9615       8.713958      341.6863       12.67420      344.3076       11.95867      184.5248 3.434281 185.2690 3.227379 -0.7442322     4.712777 
1 1 1 12 3  31 o 238.4089 2.623322 570.8705       12.50417      555.8513       17.75380      585.9604       17.61211      235.2475 3.773430 241.5703 3.645339 -6.322739      5.246644 
1 1 1 12 3  32 f 215.6395 2.527856 467.0114       10.90307      467.7907       15.84807      466.2321       14.97667      215.7939 3.672037 215.4851 3.475106 0.3088379      5.055711 
1 1 1 12 3  33 o 244.5182 2.701811 601.3339       13.21971      606.9306       19.24155      595.7371       18.12220      245.6207 3.916923 243.4158 3.722478 2.204926       5.403622 
1 1 1 12 3  34 o 139.5492 6.168213 198.5082       17.21538      198.5082       17.21538      ?              ?             139.5492 6.168213 ?        ?        ?              ?        
1 1 1 12 3  35 f 163.8875 2.502788 270.4160       8.189702      264.2525       12.21371      276.6504       10.91724      161.9341 3.771197 165.8408 3.291482 -3.906693      5.005576 
1 1 1 12 3  36 o 112.8249 2.452445 128.3006       5.508212      124.1208       8.706873      132.4805       6.747295      110.8655 3.926771 114.7843 2.939119 -3.918777      4.904891 
1 1 1 12 3  37 o 98.88585 2.368902 98.61649       4.672948      95.07423       6.961956      102.2296       6.235084      97.03057 3.587506 100.7411 3.094607 -3.710556      4.737805 
1 1 1 12 3  38 o 125.3182 2.391581 158.8349       5.993503      161.3145       8.501422      156.4261       8.451830      126.2892 3.365855 124.3473 3.398478 1.941902       4.783161 
1 1 1 12 3  39 o 36.90839 4.789485 14.67204       3.401277      12.00826       5.072515      17.33581       4.533383      32.90051 7.814535 40.91626 5.539831 -8.015751      9.578971 
1 1 1 12 3  40 o 160.8405 2.183523 262.5522       7.015798      256.8138       10.30089      268.3615       9.528677      158.9523 3.240245 162.7286 2.927782 -3.776230      4.367046 
1 1 1 12 3  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 3  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 3  43 o 19.31497 5.210453 2.553260       3.192992      -0.6076390     5.177365      5.713664       3.738500      16.54586 7.447166 22.08408 7.289376 -5.538216      10.42091 
1 1 1 12 3  44 o 15.66397 5.024744 -0.6871274     3.434574      -1.359519      4.959870      -0.1499792E-01 4.753003      15.33310 7.041922 15.99483 7.169625 -0.6617365     10.04949 
1 1 1 12 4  0  o 60.42762 3.224708 36.83241       3.873815      36.83241       3.873815      36.83241       3.873815      60.42762 3.224708 60.42762 3.224708 -0.000000      0.000000 
1 1 1 12 4  1  o 176.7557 1.848569 312.4981       6.536176      311.8605       9.224042      313.1357       9.259464      176.5754 2.611927 176.9360 2.616614 -0.3605957     3.697139 
1 1 1 12 4  2  o 120.5791 1.742552 145.5869       4.203953      135.8102       5.756171      155.3635       6.128817      116.5258 2.469912 124.6324 2.458757 -8.106552      3.485104 
1 1 1 12 4  3  o 223.0920 2.123276 497.8999       9.450747      508.3850       11.78155      487.4148       14.77830      225.4491 2.612907 220.7349 3.347524 4.714264       4.246552 
1 1 1 12 4  4  o 462.7252 3.650713 2143.067       33.86399      2106.227       40.62263      2179.906       54.18948      458.7980 4.427071 466.6524 5.806193 -7.854370      7.301427 
1 1 1 12 4  5  o 293.9296 2.523771 864.3112       14.80664      877.0634       18.41266      851.5590       23.20180      296.1111 3.109080 291.7480 3.976341 4.363068       5.047541 
1 1 1 12 4  6  o 552.7609 4.473270 3059.095       49.43577      3065.471       64.91544      3052.010       74.59997      553.4108 5.865032 552.1110 6.755886 1.299866       8.946541 
1 1 1 12 4  7  o 336.6926 2.934515 1134.231       19.79414      1110.144       25.36966      1158.319       30.39258      333.1284 3.807789 340.2568 4.466125 -7.128326      5.869031 
1 1 1 12 4  8  o 217.7919 2.212461 474.4502       9.649114      465.0277       12.46875      483.9434       14.73580      215.6246 2.891309 219.9592 3.349665 -4.334595      4.424922 
1 1 1 12 4  9  o 581.2626 4.691491 3381.440       54.55079      3356.645       70.91602      3406.945       82.95970      579.1405 6.122523 583.3846 7.110207 -4.244141      9.382981 
1 1 1 12 4  10 o 323.6987 2.843293 1047.800       18.40558      1048.509       24.15821      1047.800       27.77839      323.7609 3.730872 323.6366 4.291603 0.1242371      5.686586 
1 1 1 12 4  11 o 336.2886 2.934511 1131.397       19.75164      1116.520       25.60345      1146.275       30.09503      334.0872 3.831851 338.4899 4.445485 -4.402618      5.869022 
1 1 1 12 4  12 o 460.6017 4.061645 2123.230       37.42042      2116.854       52.71590      2129.606       53.11263      459.9109 5.731100 461.2924 5.756937 -1.381592      8.123289 
1 1 1 12 4  13 o 60.91278 2.820943 37.43459       3.411904      30.55552       4.672948      44.31366       4.973331      55.26674 4.227631 66.55882 3.736043 -11.29207      5.641886 
1 1 1 12 4  14 o 433.8712 3.865625 1883.773       33.54519      1890.858       47.53712      1876.689       47.33875      434.6870 5.467970 433.0554 5.465669 1.631592       7.731251 
1 1 1 12 4  15 o 455.5774 4.041749 2077.181       36.83241      2106.936       52.70173      2048.134       51.46194      458.7991 5.743443 452.3557 5.688217 6.443451       8.083498 
1 1 1 12 4  16 o 400.6054 4.071108 1606.769       32.56044      1574.888       49.66247      1637.941       42.12454      396.6418 6.260367 404.5689 5.206102 -7.927063      8.142217 
1 1 1 12 4  17 o 389.6996 5.024518 1520.338       39.14196      1518.212       67.48003      1523.171       39.67330      389.2547 8.667851 390.1445 5.084436 -0.8898621     10.04904 
1 1 1 12 4  18 o 118.9978 4.229953 0.000000       0.000000      ?              ?             141.6904       10.06710      ?        ?        118.9978 4.229953 ?              ?        
1 1 1 12 4  19 o 49.97874 4.127094 25.13587       4.090600      21.62195       5.829141      28.64979       5.739877      46.46281 6.272912 53.49467 5.364905 -7.031864      8.254189 
1 1 1 12 4  20 o 25.57457 6.068326 6.098353       3.707328      7.899237       5.512463      4.300302       4.958454      28.18625 8.815493 22.96289 8.341787 5.223362       12.13665 
1 1 1 12 4  21 o 498.8231 4.412037 2493.042       44.01611      2505.086       62.86801      2480.998       61.62822      500.0208 6.286540 497.6255 6.192230 2.395325       8.824075 
1 1 1 12 4  22 o 381.0978 3.517019 1455.160       26.80782      1448.075       38.01552      1461.536       37.80299      380.2130 4.999241 381.9826 4.948261 -1.769623      7.034038 
1 1 1 12 4  23 o 192.6465 2.369416 371.9372       9.124859      347.2122       12.63170      396.6621       13.17720      186.2336 3.391357 199.0592 3.309870 -12.82561      4.738833 
1 1 1 12 4  24 o 275.1549 2.796777 758.7519       15.38757      748.8336       21.84157      767.9618       21.68571      273.4153 3.994212 276.8945 3.915880 -3.479187      5.593554 
1 1 1 12 4  25 o 209.8354 2.824513 442.2864       11.71779      397.8665       17.75380      486.7064       15.30964      199.2211 4.455803 220.4497 3.472366 -21.22856      5.649027 
1 1 1 12 4  26 o 262.6877 2.714345 691.5198       14.26822      704.0594       20.82140      679.0510       19.51076      265.0498 3.927827 260.3256 3.747377 4.724213       5.428689 
1 1 1 12 4  27 o 84.35088 2.328199 71.34109       3.929782      68.13181       5.394152      74.52913       5.716498      82.45979 3.270777 86.24198 3.314220 -3.782196      4.656398 
1 1 1 12 4  28 o 198.8667 2.220482 396.7330       8.862731      374.0626       11.43441      419.3326       13.54560      193.2136 2.959008 204.5198 3.311561 -11.30621      4.440964 
1 1 1 12 4  29 o 49.93372 3.179368 25.05794       3.175281      25.21380       4.475998      24.90208       4.504336      50.09057 4.467905 49.77687 4.524528 0.3136978      6.358736 
1 1 1 12 4  30 o 215.4245 2.310556 465.5237       9.953747      465.8779       13.41099      465.2403       14.71454      215.5303 3.111161 215.3187 3.416922 0.2116089      4.621112 
1 1 1 12 4  31 o 56.62070 2.885580 32.29123       3.246126      29.43617       4.775673      35.15338       4.397360      54.08390 4.415061 59.15751 3.716654 -5.073612      5.771159 
1 1 1 12 4  32 o 163.9144 2.005986 269.4242       6.573016      266.3779       9.592437      272.4706       8.990252      162.9706 2.942996 164.8582 2.726663 -1.887573      4.011971 
1 1 1 12 4  33 f 52.60719 3.344641 28.17513       3.439533      22.74130       5.068264      33.60895       4.650986      47.42382 5.343585 57.79055 4.024002 -10.36674      6.689282 
1 1 1 12 4  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 4  35 o 32.93681 5.377142 11.59735       3.498335      9.727042       5.271589      13.46767       4.601394      30.15195 8.421636 35.72168 6.688101 -5.569733      10.75428 
1 1 1 12 4  36 o 87.20701 2.475324 77.64632       4.342809      95.21592       6.782717      60.11213       5.423907      97.19266 3.489316 77.22136 3.511921 19.97130       4.950648 
1 1 1 12 4  37 o 65.84873 2.937309 44.08695       3.824223      39.02861       5.693118      49.14530       5.106521      61.96054 4.594148 69.73692 3.661275 -7.776382      5.874618 
1 1 1 12 4  38 o 98.74094 2.374556 98.61649       4.694910      100.0334       7.112856      97.12873       6.125983      99.39535 3.578063 98.08652 3.122744 1.308823       4.749112 
1 1 1 12 4  39 o 76.30397 2.709611 59.24782       4.145860      62.00370       6.279717      56.49195       5.413989      78.01376 4.024750 74.59419 3.628961 3.419563       5.419222 
1 1 1 12 4  40 o 68.85703 2.868597 48.62813       3.952453      49.15238       5.952412      48.09679       5.201453      69.12241 4.305704 68.59164 3.791608 0.5307617      5.737193 
1 1 1 12 4  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 4  42 o 17.37787 4.983330 0.5558513E-01  3.168196      -4.740959      4.880525      4.851478       4.041009      13.66597 6.513873 21.08978 7.543458 -7.423814      9.966660 
1 1 1 12 4  43 f 25.45101 5.277492 7.849646       2.886941      7.630026       4.428532      8.069265       3.705203      24.91188 7.918170 25.99014 6.979272 -1.078266      10.55498 
1 1 1 12 4  44 o 25.39396 6.099528 8.501422       3.994960      3.941826       5.497586      13.06385       5.797969      20.05154 8.328753 30.73638 8.913409 -10.68484      12.19906 
1 1 1 12 5  0  o 116.0817 2.959050 135.0309       6.859938      135.0309       6.859938      135.0309       6.859938      116.0817 2.959050 116.0817 2.959050 -0.000000      0.000000 
1 1 1 12 5  1  o 463.0154 3.536264 2145.901       32.75881      2089.224       45.19214      2202.577       47.43793      456.9040 4.945475 469.1269 5.055980 -12.22296      7.072528 
1 1 1 12 5  2  o 272.1691 2.409703 741.0406       13.12761      734.6645       15.90474      747.4167       20.89933      271.0108 2.934337 273.3274 3.823131 -2.316528      4.819405 
1 1 1 12 5  3  o 191.3542 1.990911 366.2696       7.594603      375.1960       9.443663      357.4139       11.90199      193.6826 2.437923 189.0259 3.148243 4.656662       3.981821 
1 1 1 12 5  4  o 565.7526 4.370727 3204.327       49.38618      3236.916       61.25274      3171.739       77.50462      568.7038 5.385294 562.8014 6.885611 5.902405       8.741454 
1 1 1 12 5  5  o 87.05492 2.028828 75.80434       3.528090      76.58364       4.327223      75.02505       5.572681      87.50489 2.472561 86.60496 3.217299 0.8999329      4.057656 
1 1 1 12 5  6  o 500.4348 3.923325 2506.502       39.36158      2459.745       47.14746      2553.260       63.05221      495.8179 4.754515 505.0517 6.242154 -9.233795      7.846649 
1 1 1 12 5  7  o 338.1380 2.819013 1144.150       19.07152      1140.607       23.25847      1146.983       30.22964      337.6825 3.443837 338.5935 4.464002 -0.9109802     5.638025 
1 1 1 12 5  8  o 624.1605 4.786073 3899.318       59.67998      3943.243       74.03321      3856.103       93.58647      627.7205 5.896988 620.6005 7.539995 7.120056       9.572146 
1 1 1 12 5  9  o 376.0740 3.423487 1415.487       25.76639      1468.620       37.60462      1362.353       35.23839      383.1325 4.907522 369.0155 4.774649 14.11697       6.846973 
1 1 1 12 5  10 o 261.3116 2.621981 683.0892       13.70146      698.3209       19.65954      667.9283       19.09986      264.2182 3.720321 258.4051 3.695720 5.813141       5.243962 
1 1 1 12 5  11 o 87.63881 2.296766 76.86702       4.025423      78.21307       5.706579      75.45012       5.678949      88.42692 3.226721 86.85070 3.269375 1.576218       4.593532 
1 1 1 12 5  12 o 376.7516 3.838916 1420.446       28.88358      1397.775       44.23573      1443.116       37.15121      373.7214 5.918276 379.7817 4.891127 -6.060303      7.677833 
1 1 1 12 5  13 o 194.7937 2.544426 379.8010       9.975000      400.7003       15.84098      358.9725       12.12161      200.1421 3.957435 189.4453 3.199237 10.69675       5.088851 
1 1 1 12 5  14 o 347.8024 3.605426 1210.744       25.01543      1175.322       37.91634      1246.167       32.64546      342.6926 5.532121 352.9123 4.625152 -10.21964      7.210852 
1 1 1 12 5  15 o 392.7924 3.999452 1544.425       31.35607      1511.128       47.77798      1577.722       40.62971      388.5255 6.148629 397.0592 5.116330 -8.533661      7.998904 
1 1 1 12 5  16 o 462.5698 4.134480 2141.650       38.25640      2161.487       54.62163      2121.813       53.56604      464.7099 5.876960 460.4296 5.816963 4.280334       8.268961 
1 1 1 12 5  17 o 176.7845 2.521216 312.9940       8.912323      291.9530       12.41208      334.0350       12.78047      170.8344 3.632779 182.7346 3.497003 -11.90019      5.042431 
1 1 1 12 5  18 o 322.1637 3.502435 1038.590       22.52168      1062.678       29.25198      1015.211       34.25364      325.8693 4.488299 318.4581 5.378046 7.411133       7.004870 
1 1 1 12 5  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 5  20 o 192.6560 2.387319 371.3705       9.195704      367.8282       13.09927      374.9127       12.91508      191.7360 3.415967 193.5761 3.335917 -1.840103      4.774639 
1 1 1 12 5  21 o 136.8754 2.391796 187.6689       6.481626      174.1374       10.18045      201.2712       8.019674      131.9101 3.858860 141.8406 2.827003 -9.930511      4.783591 
1 1 1 12 5  22 f 297.0965 2.772173 884.1478       16.49984      901.1507       25.43342      866.4365       21.02685      299.9845 4.239122 294.2085 3.573460 5.776001       5.544346 
1 1 1 12 5  23 o 306.2811 3.206790 940.1155       19.56035      916.7366       31.72447      963.4944       22.89008      302.3676 5.246009 310.1945 3.689633 -7.826843      6.413580 
1 1 1 12 5  24 o 184.5740 2.233768 341.0487       8.232210      334.3184       12.49709      347.8499       10.71888      182.7258 3.419630 186.4222 2.874892 -3.696457      4.467535 
1 1 1 12 5  25 o 64.45630 2.884415 41.64280       3.705203      40.21172       5.678241      43.08095       4.762213      63.33162 4.482944 65.58099 3.630788 -2.249371      5.768830 
1 1 1 12 5  26 o 312.9121 2.868494 981.9142       17.96634      989.7072       27.50210      973.4128       23.11678      314.1478 4.377254 311.6763 3.708460 2.471497       5.736988 
1 1 1 12 5  27 o 65.15495 2.779019 42.62046       3.642151      45.19214       5.728541      40.04878       4.500085      67.10471 4.268360 63.20521 3.559901 3.899498       5.558039 
1 1 1 12 5  28 o 231.3649 2.306752 536.6522       10.69762      544.1618       17.27205      529.1426       12.61753      232.9003 3.708036 229.8295 2.744975 3.070786       4.613504 
1 1 1 12 5  29 o 105.2813 2.205104 111.1561       4.665863      115.1234       7.488335      107.1888       5.564180      107.1270 3.495072 103.4356 2.689683 3.691452       4.410207 
1 1 1 12 5  30 o 134.4254 2.137729 181.2220       5.763256      185.6144       9.146112      176.8296       7.016507      136.0114 3.362259 132.8393 2.640976 3.172150       4.275457 
1 1 1 12 5  31 o 81.92209 2.547024 67.73508       4.245043      76.79617       6.973290      58.65273       4.842976      87.39218 3.989654 76.45199 3.167332 10.94019       5.094048 
1 1 1 12 5  32 o 130.7390 2.254326 171.6579       5.850394      162.6605       9.209873      180.6552       7.219123      127.2425 3.619025 134.2356 2.688976 -6.993111      4.508651 
1 1 1 12 5  33 o 228.0935 2.443658 522.6957       11.15812      527.2299       17.39249      518.2325       13.97775      228.9638 3.798088 227.2233 3.075775 1.740509       4.887317 
1 1 1 12 5  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 5  35 o 132.9450 2.150180 177.6797       5.705162      172.5788       8.487252      182.7806       7.630026      130.9908 3.239637 134.8993 2.828046 -3.908447      4.300359 
1 1 1 12 5  36 o 31.82061 5.287541 10.87473       3.337516      9.422408       5.079599      12.31998       4.331474      29.56853 8.269516 34.07270 6.591469 -4.504164      10.57508 
1 1 1 12 5  37 o 51.63828 3.436282 27.19747       3.557845      28.26014       5.421073      26.13479       4.608479      52.58566 5.154517 50.69090 4.545668 1.894764       6.872564 
1 1 1 12 5  38 o 127.1387 2.174048 163.1564       5.509629      156.9221       8.295970      169.3908       7.254546      124.6109 3.328750 129.6666 2.797385 -5.055687      4.348096 
1 1 1 12 5  39 o 91.74101 2.400840 85.36844       4.415071      88.20225       6.733834      82.46378       5.711539      93.20272 3.612467 90.27931 3.163260 2.923409       4.801680 
1 1 1 12 5  40 o 61.14262 3.112517 38.46185       3.807220      38.73106       5.746252      38.19264       4.995294      61.24017 4.691571 61.04508 4.091479 0.1950912      6.225034 
1 1 1 12 5  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 5  42 o 14.41457 4.801084 -3.061220      3.475665      -0.6815306     5.843310      -5.440201      3.764713      17.63976 7.927105 11.18938 5.418728 6.450379       9.602167 
1 1 1 12 5  43 o 15.19032 4.742126 -2.002085      3.326890      -5.799386      5.839059      1.795217       3.190867      14.51722 6.968275 15.86341 6.433832 -1.346187      9.484252 
1 1 1 12 5  44 o 20.40709 5.357522 4.759379       3.201494      4.682158       5.670448      4.836601       2.973372      20.73109 8.519295 20.08308 6.498755 0.6480160      10.71504 
1 1 1 12 6  0  o 568.4449 6.024253 3234.083       68.47187      3234.083       68.47187      3234.083       68.47187      568.4449 6.024253 568.4449 6.024253 0.000000       0.000000 
1 1 1 12 6  1  o 261.4262 2.281629 683.7268       11.93741      699.0294       17.16579      668.4243       16.57777      264.3516 3.246773 258.5008 3.206522 5.850739       4.563257 
1 1 1 12 6  2  o 235.2195 2.144594 553.4426       10.08835      559.6060       14.40991      547.2791       14.12653      236.5290 3.046119 233.9099 3.019652 2.619110       4.289188 
1 1 1 12 6  3  o 246.2328 2.201280 606.4348       10.83931      609.6935       15.40883      603.2467       15.25297      246.8870 3.120623 245.5785 3.105517 1.308441       4.402559 
1 1 1 12 6  4  o 169.3791 1.878730 286.9938       6.366856      279.5551       8.855647      294.4326       9.146112      167.1837 2.648478 171.5745 2.665347 -4.390762      3.757461 
1 1 1 12 6  5  o 249.4927 2.399080 622.9417       12.01534      597.2957       15.21046      648.5167       18.59686      244.3672 3.112214 254.6182 3.651911 -10.25095      4.798159 
1 1 1 12 6  6  o 655.3478 5.243885 4300.302       68.69857      4267.005       103.1506      4333.600       90.75267      652.7546 7.901176 657.9410 6.896719 -5.186340      10.48777 
1 1 1 12 6  7  o 222.4756 2.251029 495.0661       10.01042      491.9489       14.98375      498.1833       13.28347      221.7722 3.378187 223.1791 2.975967 -1.406906      4.502058 
1 1 1 12 6  8  o 605.2781 5.205841 3667.655       63.02387      3678.282       89.26492      3657.028       88.98154      606.1549 7.363211 604.4013 7.361131 1.753601       10.41168 
1 1 1 12 6  9  o 124.8434 2.355823 155.9302       5.882275      156.0011       8.997337      155.7885       7.580434      124.8835 3.602293 124.8033 3.036954 0.8020782E-01  4.711646 
1 1 1 12 6  10 o 290.5987 2.817687 844.4745       16.37940      855.8098       23.26556      833.8478       23.05302      292.4876 3.977187 288.7098 3.992420 3.777740       5.635374 
1 1 1 12 6  11 o 572.7362 5.540172 3285.091       63.49854      3302.094       98.68733      3268.088       79.91336      574.1334 8.594460 571.3391 6.993515 2.794312       11.08034 
1 1 1 12 6  12 o 523.6669 5.102434 2745.251       53.43852      2741.000       82.53463      2749.501       67.87676      523.2061 7.887393 524.1277 6.475213 -0.9215698     10.20487 
1 1 1 12 6  13 o 507.9051 4.457660 2582.307       45.29132      2530.590       62.93177      2634.024       65.14922      502.8220 6.257858 512.9882 6.349973 -10.16623      8.915320 
1 1 1 12 6  14 o 606.0983 5.852706 3681.115       70.91602      3724.331       90.89436      3637.191       108.7474      609.7961 7.452850 602.4005 9.026167 7.395630       11.70541 
1 1 1 12 6  15 o 317.3879 3.502376 1008.127       22.28789      1028.672       35.33049      987.5818       27.17621      320.5974 5.510103 314.1786 4.324963 6.418793       7.004752 
1 1 1 12 6  16 o 193.2573 2.359077 374.5585       9.068183      335.8770       12.97884      413.3108       12.67420      183.2397 3.541491 203.2749 3.117503 -20.03517      4.718155 
1 1 1 12 6  17 o 308.3027 2.889676 951.4508       17.79631      932.3226       26.72280      969.8705       23.49935      305.2477 4.377233 311.3577 3.773689 -6.110077      5.779351 
1 1 1 12 6  18 o 394.4654 3.874977 1557.885       30.49885      1535.924       49.53495      1579.848       35.59262      391.6098 6.324528 397.3209 4.479077 -5.711060      7.749954 
1 1 1 12 6  19 o 71.13669 3.156255 51.05812       4.480958      60.16173       6.682826      41.95451       5.972248      77.53184 4.309730 64.74155 4.612377 12.79029       6.312511 
1 1 1 12 6  20 o 183.4260 2.247620 336.6563       8.232210      328.9342       12.49000      344.3784       10.71888      181.3143 3.444296 185.5376 2.888600 -4.223267      4.495240 
1 1 1 12 6  21 o 435.8409 3.698885 1902.902       32.24873      1907.861       49.06029      1897.234       41.86950      436.3970 5.621062 435.2849 4.809436 1.112030       7.397770 
1 1 1 12 6  22 o 298.5006 2.790366 892.6493       16.63445      877.7718       25.08628      906.8183       21.86282      296.0403 4.236970 300.9610 3.632169 -4.920715      5.580732 
1 1 1 12 6  23 o 166.8764 2.189123 278.8466       7.275800      266.5904       10.95267      291.1737       9.592437      163.1830 3.355946 170.5699 2.811879 -7.386902      4.378246 
1 1 1 12 6  24 o 349.0418 2.857814 1220.662       19.95709      1202.951       27.88466      1238.374       28.54352      346.5124 4.023617 351.5713 4.059422 -5.058899      5.715627 
1 1 1 12 6  25 o 387.1866 3.362420 1504.043       26.06394      1524.588       39.98502      1482.790       33.45309      389.7833 5.129135 384.5900 4.349189 5.193237       6.724840 
1 1 1 12 6  26 f 168.3021 2.091644 283.6641       7.023591      279.7676       11.31397      287.5606       8.331393      167.1098 3.385191 169.4944 2.457719 -2.384613      4.183288 
1 1 1 12 6  27 o 63.23009 2.767565 40.11254       3.485583      39.24823       5.731375      40.97685       3.967330      62.51128 4.584273 63.94889 3.101954 -1.437614      5.535131 
1 1 1 12 6  28 o 308.5027 2.749129 954.9930       17.03827      984.0396       27.73589      926.6550       19.79414      312.9733 4.431031 304.0320 3.255273 8.941284       5.498258 
1 1 1 12 6  29 o 16.48786 4.912657 -0.5769632     2.977623      -3.010920      4.871314      1.856852       3.423947      15.58784 7.094060 17.38788 6.797876 -1.800032      9.825315 
1 1 1 12 6  30 o 91.73659 2.289827 84.51830       4.247169      90.32761       7.017214      78.70899       4.785592      94.85007 3.699109 88.62309 2.699969 6.226982       4.579655 
1 1 1 12 6  31 o 127.8235 2.793023 164.5733       7.289969      176.4045       13.23388      152.6714       6.126691      132.2233 5.004368 123.4236 2.481977 8.799683       5.586046 
1 1 1 12 6  32 o 92.84991 2.464408 86.71449       4.643193      93.58647       7.849646      79.91336       4.963413      96.43671 4.069843 89.26311 2.780215 7.173599       4.928815 
1 1 1 12 6  33 o 234.1185 2.469472 551.1046       11.64695      575.0503       19.31948      527.2299       13.01426      239.0014 4.041709 229.2357 2.838620 9.765656       4.938945 
1 1 1 12 6  34 o 273.1222 3.091135 753.7927       16.87532      755.9181       28.88358      752.3758       17.45625      272.7495 5.294890 273.4949 3.191330 -0.7453613     6.182269 
1 1 1 12 6  35 o 119.9689 2.321638 144.8075       5.570556      145.0909       9.266549      144.5242       6.183367      119.9458 3.862805 119.9919 2.576577 -0.4605865E-01 4.643276 
1 1 1 12 6  36 o 69.41935 3.060390 48.93277       4.305970      53.52353       7.098687      44.34200       4.876983      72.55960 4.891625 66.27910 3.679126 6.280502       6.120781 
1 1 1 12 6  37 o 64.31747 8.121860 47.09787       10.37173      53.96986       17.31456      40.22589       11.41316      67.56210 13.28722 61.07284 9.343890 6.489262       16.24372 
1 1 1 12 6  38 o 161.4689 2.500383 264.1817       7.970083      247.3914       12.98592      280.9012       9.252379      155.9651 4.163087 166.9728 2.770624 -11.00778      5.000765 
1 1 1 12 6  39 o 133.6200 2.500314 181.4345       6.726042      188.5899       11.29981      174.2791       7.297054      135.8602 4.158617 131.3799 2.777081 4.480225       5.000628 
1 1 1 12 6  40 o 35.99847 5.886435 14.35323       4.373981      11.67529       7.403321      17.03118       4.662321      31.68463 10.25477 40.31230 5.782753 -8.627672      11.77287 
1 1 1 12 6  41 o 38.20160 5.745505 18.03010       4.478832      12.41208       7.785885      23.64812       4.428532      29.47029 10.47780 46.93290 4.717940 -17.46261      11.49101 
1 1 1 12 6  42 o 84.43298 2.818115 74.17490       4.694910      71.34109       7.962997      76.93786       4.978291      82.05129 4.852451 86.81466 2.867195 -4.763367      5.636230 
1 1 1 12 6  43 o 58.68214 3.427891 37.15121       3.802969      32.34791       6.651654      41.96160       3.687491      53.48120 6.218685 63.88309 2.886125 -10.40190      6.855783 
1 1 1 12 6  44 o 54.88751 3.533659 33.44601       3.608853      27.83507       6.202496      39.05695       3.691742      48.51092 6.392885 61.26410 3.012973 -12.75318      7.067318 
1 1 1 12 7  0  o 142.7120 2.628055 203.8924       7.495420      203.8924       7.495420      203.8924       7.495420      142.7120 2.628055 142.7120 2.628055 0.000000       0.000000 
1 1 1 12 7  1  o 93.11929 2.346996 86.92703       4.366897      79.55913       6.045928      94.22409       6.303096      89.18270 3.389631 97.05588 3.247148 -7.873177      4.693993 
1 1 1 12 7  2  o 325.6911 2.676162 1061.261       17.43500      1084.640       25.17838      1037.882       24.12987      329.2777 3.823273 322.1045 3.745658 7.173218       5.352324 
1 1 1 12 7  3  o 173.9767 2.349252 302.8632       8.118857      289.9693       13.02843      315.8278       9.691620      170.2543 3.826169 177.6992 2.726973 -7.444977      4.698505 
1 1 1 12 7  4  o 374.0824 3.635408 1400.609       27.21872      1406.985       44.54745      1393.525       31.29231      374.9424 5.940572 373.2223 4.192182 1.720123       7.270817 
1 1 1 12 7  5  o 653.1343 5.928713 4272.673       77.29209      4220.956       125.1834      4324.390       90.68183      649.0163 9.644091 657.2524 6.898555 -8.236084      11.85743 
1 1 1 12 7  6  o 58.57566 3.118755 34.33866       3.679699      35.86891       6.053721      32.81549       4.185533      59.87456 5.055336 57.27676 3.653780 2.597797       6.237510 
1 1 1 12 7  7  o 540.4462 4.981706 2923.781       53.77857      2906.778       87.49380      2940.783       62.60588      538.7856 8.119537 542.1068 5.774313 -3.321167      9.963412 
1 1 1 12 7  8  o 558.9525 5.124579 3127.815       57.17914      3088.141       92.52380      3167.488       67.17540      555.3094 8.330834 562.5957 5.970131 -7.286316      10.24916 
1 1 1 12 7  9  o 121.7638 2.226415 148.3498       5.424615      153.8757       7.913406      142.8239       7.424574      124.0320 3.190067 119.4956 3.106632 4.536446       4.452829 
1 1 1 12 7  10 o 417.6729 3.516297 1745.625       29.35116      1723.663       44.02319      1767.587       38.82316      415.0281 5.303640 420.3177 4.618311 -5.289581      7.032595 
1 1 1 12 7  11 o 247.1317 2.432627 610.9688       12.04368      624.2877       18.60394      597.6500       15.30964      249.8203 3.723465 244.4431 3.131536 5.377258       4.865255 
1 1 1 12 7  12 o 296.2279 2.612130 877.7718       15.46550      874.2295       24.50535      881.3140       18.88024      295.6189 4.144753 296.8369 3.180238 -1.218048      5.224260 
1 1 1 12 7  13 o 590.0129 4.580616 3484.875       54.13988      3532.341       86.50197      3438.117       65.15631      593.9135 7.282370 586.1122 5.558348 7.801270       9.161231 
1 1 1 12 7  14 o 77.91830 2.726993 60.75682       4.262754      63.08763       6.589310      58.43310       5.411155      79.40852 4.148994 76.42809 3.540030 2.980431       5.453986 
1 1 1 12 7  15 o 104.3704 3.040678 109.0307       6.288218      104.4966       10.56302      113.5648       6.829475      102.1882 5.168414 106.5526 3.204744 -4.364426      6.081355 
1 1 1 12 7  16 o 101.9183 2.782208 103.9299       5.689576      108.3931       8.742295      99.53748       7.282885      104.0865 4.199532 99.75002 3.650568 4.336525       5.564415 
1 1 1 12 7  17 o 202.0555 2.386907 408.4933       9.634944      401.4088       14.52326      415.5070       12.66003      200.3057 3.625274 203.8054 3.105912 -3.499680      4.773815 
1 1 1 12 7  18 o 486.3696 4.601052 2369.771       44.63246      2333.640       72.33293      2405.902       52.34042      482.5244 7.495261 490.2148 5.338520 -7.690338      9.202105 
1 1 1 12 7  19 f 238.1476 2.918468 568.5326       13.82898      614.7944       18.90149      522.2707       20.19088      247.8667 3.812835 228.4286 4.419515 19.43803       5.836936 
1 1 1 12 7  20 o 548.2632 4.499029 3012.337       49.35784      3033.591       75.16674      2990.375       63.99445      550.1461 6.831525 546.3802 5.856220 3.765930       8.998057 
1 1 1 12 7  21 o 153.0493 2.188819 234.4267       6.697703      233.7182       10.18754      235.0643       8.699788      152.8217 3.333144 153.2768 2.837933 -0.4550781     4.377638 
1 1 1 12 7  22 o 257.2444 2.557060 662.8275       13.12053      636.4730       19.50368      689.1819       17.55543      252.1053 3.868161 262.3835 3.345377 -10.27818      5.114119 
1 1 1 12 7  23 o 240.3546 2.475153 578.4509       11.89491      575.8296       18.15762      581.0721       15.36632      239.7837 3.786250 240.9254 3.189020 -1.141785      4.950307 
1 1 1 12 7  24 o 291.1053 2.515893 848.7253       14.64370      850.8506       20.76472      846.5999       20.66554      291.4693 3.562077 290.7413 3.553939 0.7279358      5.031787 
1 1 1 12 7  25 o 97.37534 2.070585 94.93254       4.032507      94.43663       5.710121      95.42845       5.695244      97.12054 2.939708 97.63013 2.916745 -0.5095901     4.141170 
1 1 1 12 7  26 o 115.6569 1.980981 134.0391       4.582975      128.5840       6.354813      139.4233       6.605605      113.3170 2.803998 117.9968 2.799060 -4.679840      3.961962 
1 1 1 12 7  27 o 153.2837 2.082883 235.6311       6.322224      221.0369       10.07418      250.2252       7.644195      148.4844 3.392337 158.0830 2.417779 -9.598557      4.165766 
1 1 1 12 7  28 o 23.37432 5.378502 5.366522       2.986833      6.016172       5.121398      4.716872       3.073972      25.19464 8.531716 21.55399 6.551560 3.640659       10.75700 
1 1 1 12 7  29 o 118.7650 2.066526 141.4070       4.917363      142.8239       8.295970      139.9901       5.283633      119.2987 3.476975 118.2313 2.234448 1.067375       4.133051 
1 1 1 12 7  30 o 132.1232 2.100861 175.0584       5.551428      175.3418       9.443663      174.7042       5.841893      132.1665 3.572637 132.0799 2.211500 0.8666992E-01  4.201722 
1 1 1 12 7  31 o 194.7102 2.726071 381.1471       10.50634      369.1742       18.78106      393.1199       9.408240      191.3415 4.907732 198.0789 2.374872 -6.737381      5.452142 
1 1 1 12 7  32 o 266.5393 3.028031 715.5363       16.03935      702.2174       28.35224      728.9969       14.99084      263.4908 5.380120 269.5879 2.780325 -6.097107      6.056063 
1 1 1 12 7  33 o 188.8858 3.047280 359.8227       11.58319      368.8908       20.88516      350.7545       10.02459      190.7882 5.473388 186.9834 2.680610 3.804779       6.094559 
1 1 1 12 7  34 o 121.3553 3.455581 149.6250       8.643111      163.9357       16.05352      135.3143       6.393777      126.6305 6.338726 116.0801 2.754036 10.55035       6.911162 
1 1 1 12 7  35 o 92.08000 3.834161 86.36028       6.823808      79.48829       12.55377      93.23225       5.354478      87.82531 7.147009 96.33470 2.779102 -8.509392      7.668321 
1 1 1 12 7  36 o 203.2776 2.937489 418.4116       11.99409      427.3381       21.40233      409.4851       10.82514      204.7193 5.227239 201.8360 2.681669 2.883316       5.874979 
1 1 1 12 7  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 7  38 o 55.06232 6.211529 33.26181       6.133776      27.82090       11.42733      38.70272       4.463954      48.34477 11.88613 61.77987 3.612790 -13.43510      12.42306 
1 1 1 12 7  39 o 21.77061 6.533005 2.623397       5.479167      2.925197       10.40716      2.321597       3.423239      25.97366 11.14996 17.56756 6.811682 8.406099       13.06601 
1 1 1 12 7  40 o 90.22195 3.876085 85.86436       7.204955      95.78268       13.58811      75.94603       4.802595      93.85075 7.239209 86.59316 2.773080 7.257591       7.752169 
1 1 1 12 7  41 o 41.78897 6.266109 20.46009       5.418239      14.38157       10.08127      26.53152       3.981499      32.90979 11.90040 50.66815 3.928996 -17.75835      12.53222 
1 1 1 12 7  42 o 25.46792 5.586630 7.005171       3.710162      5.356604       6.653071      8.657280       3.287216      23.29515 9.355056 27.64068 6.109392 -4.345530      11.17326 
1 1 1 12 7  43 o 31.84618 5.288936 12.30581       3.790217      6.286801       6.162822      18.32765       4.412946      22.99010 9.083173 40.70226 5.421010 -17.71216      10.57787 
1 1 1 12 7  44 f 16.31068 5.123851 0.4834475      3.484166      -0.9408240     5.601020      1.907152       4.146568      16.04517 7.414176 16.57618 7.074275 -0.5310078     10.24770 
1 1 1 12 8  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 8  1  o 373.9281 4.205895 1400.609       31.51194      1484.207       46.83575      1317.012       42.16705      385.0904 6.081138 362.7658 5.811884 22.32458       8.411791 
1 1 1 12 8  2  o 496.9744 4.884334 2472.497       48.53603      2471.080       75.09589      2473.914       61.53612      496.7792 7.558276 497.1696 6.188644 -0.3903809     9.768667 
1 1 1 12 8  3  o 166.3101 3.141620 0.000000       0.000000      ?              ?             276.6504       10.44966      ?        ?        166.3101 3.141620 ?              ?        
1 1 1 12 8  4  o 451.4375 4.269260 2039.633       38.63896      2067.971       63.59063      2011.295       43.90276      454.5142 6.995451 448.3609 4.895917 6.153320       8.538521 
1 1 1 12 8  5  o 384.8461 3.720734 1482.081       28.53644      1449.492       45.94310      1514.670       33.87108      380.5801 6.035930 389.1122 4.352355 -8.532074      7.441468 
1 1 1 12 8  6  o 307.3053 2.794935 944.3662       17.20121      959.2438       26.37566      930.1973       22.08244      309.6597 4.258814 304.9509 3.620656 4.708862       5.589869 
1 1 1 12 8  7  o 188.8188 2.162137 356.5638       8.161365      354.5801       12.38374      358.6183       10.63386      188.2813 3.288626 189.3563 2.807897 -1.074966      4.324275 
1 1 1 12 8  8  f 132.8684 2.073395 176.6170       5.504670      174.5625       8.366816      178.6007       7.155363      132.1065 3.166692 133.6303 2.677298 -1.523773      4.146790 
1 1 1 12 8  9  o 165.4219 2.028141 273.7458       6.733126      280.9012       10.82514      266.5904       8.012589      167.5798 3.229848 163.2640 2.453875 4.315750       4.056282 
1 1 1 12 8  10 o 196.0399 2.111354 384.4768       8.253463      375.6212       12.97884      393.2616       10.20170      193.7859 3.348758 198.2940 2.572369 -4.508118      4.222708 
1 1 1 12 8  11 o 541.0710 4.230326 2930.156       45.76598      2917.405       72.19124      2942.200       56.22982      539.8754 6.685917 542.2667 5.184702 -2.391296      8.460651 
1 1 1 12 8  12 o 147.3888 2.024909 217.4947       5.923365      203.8216       9.188620      231.1678       7.474166      142.7473 3.218492 152.0304 2.458116 -9.283066      4.049818 
1 1 1 12 8  13 o 136.8805 2.098204 187.8106       5.817098      204.3175       9.535762      171.2328       6.661572      142.9171 3.336117 130.8439 2.545618 12.07318       4.196408 
1 1 1 12 8  14 o 388.9380 3.228948 1513.253       25.08628      1497.667       39.48202      1529.547       30.95226      386.8631 5.102841 391.0128 3.957959 -4.149719      6.457896 
1 1 1 12 8  15 o 61.82733 3.564793 38.30599       4.447660      41.28149       7.119940      35.33757       5.329682      64.22487 5.542978 59.42979 4.484016 4.795074       7.129587 
1 1 1 12 8  16 o 351.7615 3.539286 1238.374       24.94459      1248.292       42.72673      1228.455       25.75222      353.1053 6.050140 350.4177 3.674504 2.687592       7.078572 
1 1 1 12 8  17 o 276.7487 3.303009 766.5449       18.29222      771.5040       28.80565      761.5857       22.56419      277.6170 5.188020 275.8804 4.089488 1.736633       6.606017 
1 1 1 12 8  18 o 406.6594 3.890276 1655.652       31.72447      1676.197       54.28157      1635.815       32.85091      409.0146 6.635653 404.3042 4.062648 4.710419       7.780552 
1 1 1 12 8  19 o 275.0644 2.971311 757.3350       16.42900      774.3378       28.33807      740.3321       16.64153      278.0985 5.094970 272.0302 3.058765 6.068298       5.942623 
1 1 1 12 8  20 f 308.7408 3.202001 954.2846       19.79414      959.2438       33.92776      949.3254       20.39633      309.4626 5.481721 308.0190 3.310888 1.443634       6.404002 
1 1 1 12 8  21 o 206.4849 2.732594 426.9839       11.35648      440.0903       19.31240      413.8775       11.95867      209.6017 4.606927 203.3680 2.940154 6.233673       5.465188 
1 1 1 12 8  22 o 269.7990 3.798209 729.7053       20.33965      714.8279       37.06620      745.2913       16.75488      266.7251 6.948389 272.8728 3.070091 -6.147644      7.596418 
1 1 1 12 8  23 o 54.06918 5.014608 30.06669       4.884067      24.57619       8.749379      35.56428       4.339975      48.54644 9.344801 59.59191 3.641413 -11.04548      10.02922 
1 1 1 12 8  24 o 139.8976 2.731257 196.3828       7.502505      180.9386       12.56085      211.8271       8.218040      134.3264 4.675497 145.4688 2.824674 -11.14246      5.462513 
1 1 1 12 8  25 o 149.5953 2.070552 224.1541       6.161405      215.4402       9.727042      232.8681       7.566265      146.6597 3.316194 152.5309 2.480241 -5.871155      4.141104 
1 1 1 12 8  26 o 65.25443 2.764016 43.07387       3.492667      35.14629       5.435950      50.99436       4.387442      59.16372 4.593990 71.34515 3.074800 -12.18144      5.528032 
1 1 1 12 8  27 o 223.2697 2.288738 499.7419       10.20879      495.5620       16.25188      503.8510       12.35540      222.2695 3.655895 224.2699 2.754583 -2.000336      4.577477 
1 1 1 12 8  28 o 130.7468 2.719184 171.5870       7.065390      168.3990       12.56085      174.7751       6.480209      129.3899 4.853877 132.1037 2.452698 -2.713791      5.438368 
1 1 1 12 8  29 o 168.5897 2.672899 285.4352       8.933578      278.5632       16.09602      292.3781       7.764632      166.3207 4.838852 170.8588 2.272237 -4.538086      5.345798 
1 1 1 12 8  30 o 135.3888 2.750779 184.2683       7.552096      192.5572       13.89274      176.0503       5.931159      138.2010 5.026281 132.5766 2.236880 5.624390       5.501557 
1 1 1 12 8  31 o 97.97446 3.319429 96.70367       6.478083      96.13691       12.02951      97.27043       4.809679      97.42251 6.173887 98.52641 2.440807 -1.103897      6.638857 
1 1 1 12 8  32 o 77.40067 4.003214 60.65764       6.197536      61.23857       11.43441      60.08379       4.791259      77.43275 7.383447 77.36860 3.096385 0.6414795E-01  8.006428 
1 1 1 12 8  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 8  34 o 72.49702 4.684881 54.00528       7.013672      59.75082       13.15595      48.25265       4.877691      75.76289 8.682317 69.23116 3.522757 6.531738       9.369761 
1 1 1 12 8  35 o 23.76794 6.769947 1.805135       5.863855      -0.9797888     11.01642      4.590059       4.024714      25.60853 11.23372 21.92735 7.558590 3.681181       13.53989 
1 1 1 12 8  36 o 87.53136 4.108324 78.70899       6.840810      70.05171       12.66003      87.35210       5.183742      81.87180 7.731621 93.19092 2.781248 -11.31912      8.216648 
1 1 1 12 8  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 8  38 o 139.4186 3.215084 199.2166       8.628942      182.0013       15.86932      216.3612       6.764297      132.1935 6.002309 146.6438 2.306371 -14.45029      6.430168 
1 1 1 12 8  39 o 21.60829 6.654423 2.388900       5.862438      3.132065       11.20062      1.645025       3.475665      26.50513 11.47556 16.71145 6.740685 9.793684       13.30885 
1 1 1 12 8  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 8  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 8  42 o 26.67773 6.442732 9.939578       4.631858      14.58702       8.756464      5.287884       3.017296      31.90737 11.13451 21.44810 6.485205 10.45928       12.88546 
1 1 1 12 8  43 o 22.74831 5.427377 2.905361       4.380357      -3.742042      7.856731      9.549930       3.879482      17.58105 8.326454 27.91558 6.963895 -10.33453      10.85475 
1 1 1 12 9  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 9  1  o 573.0187 6.095496 3288.633       69.84626      3324.056       99.75002      3253.211       97.83719      576.1010 8.657337 569.9363 8.583169 6.164734       12.19099 
1 1 1 12 9  2  o 529.5479 5.671208 2807.594       60.08379      2831.682       85.58098      2784.216       84.30576      531.7836 8.046599 527.3123 7.993913 4.471313       11.34242 
1 1 1 12 9  3  o 371.7825 3.445045 1382.898       25.61762      1375.105       36.13104      1390.691       36.32232      370.7349 4.872895 372.8300 4.871163 -2.095154      6.890090 
1 1 1 12 9  4  o 497.8500 4.393821 2480.998       43.75398      2441.325       61.01187      2519.963       62.73340      493.9065 6.176459 501.7934 6.250920 -7.886871      8.787642 
1 1 1 12 9  5  o 793.9391 6.322799 6314.431       100.4585      6369.690       153.0256      6258.463       130.2134      797.3349 9.596066 790.5432 8.235695 6.791687       12.64560 
1 1 1 12 9  6  o 255.8513 2.511341 654.7511       12.85132      657.0181       19.50368      652.5549       16.74780      256.2820 3.805121 255.4207 3.278474 0.8612671      5.022682 
1 1 1 12 9  7  o 397.7615 3.409132 1583.390       27.11953      1580.556       41.01936      1585.515       35.47926      397.4337 5.160529 398.0894 4.456193 -0.6557007     6.818264 
1 1 1 12 9  8  o 234.0820 2.410738 548.5542       11.34940      580.2220       17.79631      516.8864       14.08402      240.8387 3.694653 227.3253 3.097768 13.51343       4.821476 
1 1 1 12 9  9  o 243.8270 2.459082 594.6744       12.00117      597.8625       18.23555      591.4863       15.59302      244.4758 3.729521 243.1781 3.206091 1.297653       4.918165 
1 1 1 12 9  10 o 351.9890 2.971848 1239.791       20.93475      1246.875       33.32557      1231.998       25.35549      353.0281 4.719961 350.9499 3.612409 2.078217       5.943696 
1 1 1 12 9  11 o 233.5108 2.326254 545.4370       10.88182      551.3172       17.47751      539.5568       12.96467      234.7607 3.722409 232.2610 2.790970 2.499725       4.652509 
1 1 1 12 9  12 o 253.2251 2.428371 641.5031       12.27747      633.6393       19.41866      649.2961       15.03335      251.6688 3.857980 254.7814 2.950244 -3.112640      4.856742 
1 1 1 12 9  13 o 707.2015 5.688925 5010.171       80.48012      5047.011       122.5622      4973.332       104.4258      709.7076 8.634694 704.6953 7.409287 5.012329       11.37785 
1 1 1 12 9  14 o 448.2914 3.652706 2011.295       32.85091      2056.635       52.87175      1965.954       39.00735      453.3028 5.831837 443.2801 4.399854 10.02264       7.305412 
1 1 1 12 9  15 o 402.7118 3.527565 1623.063       28.38058      1597.559       42.42918      1648.567       37.71089      399.5279 5.309915 405.8958 4.645391 -6.367920      7.055129 
1 1 1 12 9  16 o 391.3214 3.280434 1532.381       25.75931      1568.512       41.47985      1496.959       30.54844      395.8469 5.239380 386.7958 3.948910 9.051086       6.560869 
1 1 1 12 9  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 9  18 o 96.96674 2.385634 94.57832       4.718997      108.3223       7.821308      80.83435       5.283633      104.0437 3.758666 89.88979 2.938951 14.15388       4.771268 
1 1 1 12 9  19 o 199.9371 2.648158 400.0627       10.59135      400.7003       18.32765      399.3543       10.62678      200.0708 4.580290 199.8034 2.659308 0.2673950      5.296317 
1 1 1 12 9  20 o 139.9785 2.741971 196.0995       7.679617      196.1703       13.00717      196.0995       8.154280      139.9608 4.646721 139.9962 2.912322 -0.3541565E-01 5.483943 
1 1 1 12 9  21 o 109.4113 2.881990 119.8700       6.334976      122.0662       11.00934      117.7447       6.265547      110.3548 4.988159 108.4678 2.888208 1.887001       5.763981 
1 1 1 12 9  22 o 136.6982 3.395510 187.5272       9.046929      174.4917       16.61319      200.5627       7.169532      131.8235 6.301305 141.5730 2.532098 -9.749512      6.791021 
1 1 1 12 9  23 o 118.2276 2.909360 140.6277       6.620482      123.1289       11.58319      158.0556       6.421407      110.7837 5.227839 125.6714 2.554840 -14.88773      5.818720 
1 1 1 12 9  24 o 495.5125 4.597194 2468.955       45.45426      2449.118       77.00871      2489.500       48.30224      492.8640 7.812370 498.1610 4.848056 -5.297028      9.194388 
1 1 1 12 9  25 o 205.5056 2.266886 423.2291       9.379901      440.9403       15.38757      405.5178       10.72596      209.7540 3.668005 201.2573 2.664738 8.496658       4.533772 
1 1 1 12 9  26 o 245.0225 2.404487 601.8298       11.78155      600.9088       18.79523      602.7508       14.20446      244.7527 3.839635 245.2922 2.895416 -0.5394897     4.808974 
1 1 1 12 9  27 o 201.0796 2.220896 405.3053       8.905238      397.1581       14.17612      413.4525       10.78264      198.9919 3.561985 203.1673 2.653635 -4.175446      4.441792 
1 1 1 12 9  28 o 189.3231 2.187885 359.3976       8.260548      353.3049       13.23388      365.4903       9.897071      187.6440 3.526326 191.0021 2.590828 -3.358047      4.375770 
1 1 1 12 9  29 o 45.30467 3.923040 21.65029       3.164654      14.03443       4.862104      29.25906       4.052344      36.62969 6.889961 53.97964 3.753586 -17.34995      7.846080 
1 1 1 12 9  30 o 139.8434 2.809849 196.6662       7.842561      196.0286       14.36740      197.3038       6.279008      139.3477 5.155235 140.3390 2.237086 -0.9912872     5.619698 
1 1 1 12 9  31 o 180.7084 2.806437 328.4382       10.06001      321.3537       18.17887      335.5936       8.621859      178.4118 5.094639 183.0050 2.355634 -4.593262      5.612875 
1 1 1 12 9  32 o 51.13998 6.548775 27.77131       6.115356      19.51785       11.40607      36.02477       4.424282      42.42236 12.56534 59.85760 3.695672 -17.43524      13.09755 
1 1 1 12 9  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 9  34 o 132.1014 3.207622 176.6170       8.295970      166.8404       15.03335      186.3228       7.024299      127.9525 5.874581 136.2502 2.577720 -8.297714      6.415243 
1 1 1 12 9  35 o 129.0641 3.350470 169.4617       8.303054      151.3961       15.01209      187.5272       7.091603      121.4962 6.178010 136.6320 2.595147 -15.13580      6.700940 
1 1 1 12 9  36 o 91.68655 3.793830 86.36028       7.190785      95.85353       13.46058      76.86702       5.071097      95.99892 7.010800 87.37419 2.901943 8.624725       7.587660 
1 1 1 12 9  37 o 35.50875 7.194259 13.80772       6.294595      15.04752       11.89491      12.56085       4.130274      36.70081 12.96062 34.31669 6.249136 2.384125       14.38852 
1 1 1 12 9  38 o 98.00014 3.700939 99.53748       7.502505      110.6602       14.21154      88.34394       4.812513      102.3675 6.941431 93.63275 2.569888 8.734772       7.401877 
1 1 1 12 9  39 o 124.8025 3.381618 161.1728       8.373900      162.0938       15.70638      160.2518       5.819223      123.5303 6.357295 126.0747 2.307848 -2.544327      6.763236 
1 1 1 12 9  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 9  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 9  42 o 46.46234 5.404471 25.62470       4.800469      27.58711       9.139028      23.66229       2.940784      44.98191 10.36469 47.94276 3.066973 -2.960854      10.80894 
1 1 1 12 9  43 o 51.73274 4.777141 31.81657       5.000253      36.04602       9.046929      27.58003       4.267005      52.72538 8.579292 50.74010 4.204766 1.985283       9.554282 
1 1 1 12 10 0  o 92.23084 3.134990 85.36844       5.768215      85.36844       5.768215      85.36844       5.768215      92.23084 3.134990 92.23084 3.134990 0.000000       0.000000 
1 1 1 12 10 1  o 402.0677 3.434080 1617.395       27.60128      1626.605       36.40025      1608.186       41.50819      403.2260 4.513629 400.9095 5.176753 2.316498       6.868160 
1 1 1 12 10 2  o 289.5502 2.703731 838.8069       15.63553      861.4774       21.01976      816.1365       23.14512      293.4693 3.581254 285.6311 4.051575 7.838165       5.407462 
1 1 1 12 10 3  o 407.9865 3.725008 1665.570       30.39967      1678.322       43.41393      1652.818       42.55670      409.5469 5.300239 406.4262 5.235476 3.120667       7.450016 
1 1 1 12 10 4  o 332.3000 3.188743 1104.476       21.19688      1086.057       29.64871      1123.605       30.29340      329.4768 4.499362 335.1231 4.519742 -5.646362      6.377486 
1 1 1 12 10 5  o 383.6597 3.554165 1472.871       27.26831      1461.536       38.42642      1484.207       38.70980      382.1833 5.027225 385.1361 5.025471 -2.952789      7.108330 
1 1 1 12 10 6  o 478.9631 4.268614 2296.092       40.89184      2295.384       57.89468      2296.801       57.76007      478.8886 6.044692 479.0376 6.028763 -0.1489258     8.537229 
1 1 1 12 10 7  o 308.6146 3.030908 952.8677       18.71021      965.6198       26.87158      940.1155       26.04269      310.6786 4.324658 306.5505 4.247699 4.128052       6.061817 
1 1 1 12 10 8  o 141.8737 2.185494 201.4128       6.182659      192.8406       9.231127      209.9851       8.225125      138.8510 3.324111 144.8965 2.838277 -6.045410      4.370988 
1 1 1 12 10 9  o 101.0750 2.416940 102.3004       4.854311      95.49931       7.346645      109.1016       6.347020      97.70873 3.759462 104.4412 3.038561 -6.732483      4.833881 
1 1 1 12 10 10 o 504.3697 4.182036 2546.176       42.18122      2542.634       63.78191      2549.718       55.21673      503.9861 6.327745 504.7533 5.469675 -0.7672119     8.364073 
1 1 1 12 10 11 o 462.9985 3.900372 2145.901       36.13104      2157.944       54.96169      2133.148       46.92076      464.3059 5.918694 461.6910 5.081403 2.614929       7.800743 
1 1 1 12 10 12 o 398.1209 3.475507 1586.224       27.63671      1552.218       41.16105      1620.229       36.88908      393.8359 5.225659 402.4059 4.583567 -8.569946      6.951014 
1 1 1 12 10 13 o 168.1392 2.609523 282.9556       8.770633      269.9910       12.29164      295.9203       12.51834      164.2844 3.740963 171.9940 3.639180 -7.709595      5.219046 
1 1 1 12 10 14 o 378.2166 3.394211 1431.073       25.66721      1423.988       38.85150      1438.866       33.54519      377.2151 5.149781 379.2180 4.422943 -2.002991      6.788421 
1 1 1 12 10 15 o 258.2103 3.124584 667.1490       16.14561      669.4869       26.79365      664.8820       18.02301      258.6227 5.180065 257.7978 3.495572 0.8249207      6.249167 
1 1 1 12 10 16 o 382.9501 3.379117 1467.912       25.85849      1448.784       38.83733      1487.040       34.14738      380.4302 5.104396 385.4700 4.429317 -5.039795      6.758233 
1 1 1 12 10 17 o 488.4119 3.913035 2388.899       38.28473      2417.238       61.12522      2360.561       46.10604      491.2185 6.221796 485.6053 4.747276 5.613190       7.826070 
1 1 1 12 10 18 o 347.3970 2.977524 1207.910       20.65845      1193.741       32.56753      1222.079       25.41925      345.3221 4.715530 349.4720 3.636807 -4.149963      5.955048 
1 1 1 12 10 19 o 210.3684 2.574118 443.0657       10.73304      423.3708       17.89549      462.8315       11.83823      205.6483 4.350994 215.0886 2.751943 -9.440262      5.148237 
1 1 1 12 10 20 o 136.6495 2.220749 186.8896       6.072140      188.2356       9.457831      185.5435       7.622942      137.1299 3.448494 136.1691 2.799071 0.9607391      4.441498 
1 1 1 12 10 21 o 111.6125 2.839661 124.8292       6.380316      127.8755       11.32814      121.7120       5.878733      112.9407 5.015083 110.2842 2.665266 2.656563       5.679322 
1 1 1 12 10 22 o 275.8339 3.061121 763.0026       17.02410      787.7984       29.63454      737.4984       16.75488      280.2423 5.287306 271.4255 3.086461 8.816803       6.122242 
1 1 1 12 10 23 o 244.9065 2.910537 601.3339       14.09819      574.4127       24.00943      628.3259       14.79247      239.2873 5.016863 250.5258 2.952286 -11.23853      5.821074 
1 1 1 12 10 24 o 224.2913 2.796961 0.000000       0.000000      ?              ?             503.6384       12.54668      ?        ?        224.2913 2.796961 ?              ?        
1 1 1 12 10 25 o 154.2737 2.752330 238.8899       8.331393      223.2332       14.56577      254.6176       8.090520      149.0762 4.885343 159.4711 2.536673 -10.39490      5.504661 
1 1 1 12 10 26 o 90.83217 3.394874 83.03055       6.015463      77.15040       10.84640      88.91070       5.209954      87.45374 6.201220 94.21060 2.765057 -6.756866      6.789748 
1 1 1 12 10 27 o 148.3808 2.126210 220.7536       6.352687      230.2468       10.43549      211.2603       7.247461      151.5226 3.443545 145.2391 2.495011 6.283478       4.252420 
1 1 1 12 10 28 o 119.0207 2.175961 142.0446       5.158237      138.2898       8.267632      145.8702       6.169907      117.3814 3.521697 120.6600 2.556731 -3.278664      4.351922 
1 1 1 12 10 29 o 72.38794 2.682007 52.65922       3.849727      50.12296       6.230834      55.18839       4.523465      70.59077 4.413349 74.18510 3.048769 -3.594330      5.364013 
1 1 1 12 10 30 o 54.29295 3.224555 29.85416       3.553594      34.26073       5.746961      25.44759       4.182700      58.28960 4.929663 50.29630 4.158059 7.993301       6.449111 
1 1 1 12 10 31 o 185.3803 2.917841 346.0079       10.86057      352.1714       19.41158      339.8443       9.755382      186.6673 5.199513 184.0934 2.649575 2.573914       5.835682 
1 1 1 12 10 32 o 70.98768 5.133339 51.56112       7.134109      49.74040       13.48184      53.38184       4.650986      69.07747 9.758492 72.89789 3.190069 -3.820419      10.26668 
1 1 1 12 10 33 o 95.81865 4.163897 93.72817       8.133026      99.96254       15.18212      87.49380       5.835517      98.35435 7.718073 93.28294 3.127859 5.071404       8.327794 
1 1 1 12 10 34 o 129.6073 3.289497 170.1701       8.551013      173.0748       15.66387      167.1946       6.870565      130.1794 6.016262 129.0351 2.662286 1.144348       6.578995 
1 1 1 12 10 35 o 183.2421 3.046501 340.2694       11.22896      349.1959       20.32548      331.3429       9.549930      184.9000 5.496344 181.5841 2.629616 3.315887       6.093002 
1 1 1 12 10 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 10 37 o 23.74128 6.874571 3.530215       5.936826      3.581932       11.32106      3.477790       3.569888      27.87806 11.78471 19.60449 7.082338 8.273573       13.74914 
1 1 1 12 10 38 f 20.90569 6.551478 0.3626564      6.024674      -0.7155363     11.51943      1.440991       3.527381      25.17139 11.22532 16.64000 6.758679 8.531389       13.10296 
1 1 1 12 10 39 o 132.8260 3.464788 182.6389       9.273635      190.8569       16.76197      174.4208       7.941744      134.4450 6.233766 131.2071 3.026416 3.237869       6.929576 
1 1 1 12 10 40 o 68.06517 5.275861 55.04670       7.119940      59.36118       12.86548      50.73932       6.116773      67.19112 9.573798 68.93922 4.436352 -1.748108      10.55172 
1 1 1 12 10 41 o 16.73229 5.522206 -1.327639      4.590059      -1.361644      8.558097      -1.293633      3.330432      20.43486 9.328403 13.02972 5.912694 7.405142       11.04441 
1 1 1 12 10 42 o 44.76652 5.719574 24.93750       5.145485      30.15171       9.160281      19.73038       4.694201      47.22803 10.00367 42.30501 5.548044 4.923019       11.43915 
1 1 1 12 10 43 o 25.76346 6.573411 9.755382       4.680032      11.40607       8.281801      8.097604       4.361229      26.74691 10.54153 24.78001 7.855889 1.966902       13.14682 
1 1 1 12 11 0  o 345.1957 4.033017 1192.324       27.83507      1192.324       27.83507      1192.324       27.83507      345.1957 4.033017 345.1957 4.033017 0.000000       0.000000 
1 1 1 12 11 1  o 382.7672 3.076570 1465.787       23.55602      1462.245       33.21930      1469.329       33.39642      382.3049 4.344609 383.2294 4.357236 -0.9244690     6.153140 
1 1 1 12 11 2  o 501.4562 3.848863 2516.421       38.60354      2507.211       54.40201      2525.631       54.77749      500.5391 5.434342 502.3733 5.451872 -1.834137      7.697725 
1 1 1 12 11 3  o 295.4382 2.564136 873.5211       15.15378      860.0605       21.15437      886.2732       21.69988      293.2213 3.607236 297.6552 3.645138 -4.433838      5.128273 
1 1 1 12 11 4  o 265.2936 2.411744 704.0594       12.79464      716.9532       18.34182      691.1655       17.85299      267.7227 3.425525 262.8645 3.395854 4.858246       4.823488 
1 1 1 12 11 5  o 425.6593 3.622907 1812.928       30.85307      1803.718       40.21881      1822.138       46.80032      424.5962 4.736125 426.7224 5.483696 -2.126251      7.245813 
1 1 1 12 11 6  o 177.3581 2.246970 314.7651       7.991336      301.5171       10.23713      328.0132       12.28455      173.6267 2.948029 181.0895 3.391846 -7.462845      4.493939 
1 1 1 12 11 7  o 794.2270 6.336055 6318.681       100.6710      6285.384       131.1344      6351.979       152.8130      792.2328 8.276256 796.2211 9.596144 -3.988281      12.67211 
1 1 1 12 11 8  o 361.0767 3.416955 1304.260       24.68246      1331.181       35.69889      1278.047       34.09778      364.7510 4.893596 357.4024 4.770224 7.348663       6.833910 
1 1 1 12 11 9  o 163.0096 2.436522 265.8111       7.941744      267.8656       11.49817      263.7566       10.96683      163.6385 3.513284 162.3807 3.376890 1.257874       4.873043 
1 1 1 12 11 10 o 625.2119 5.436378 3915.613       67.99720      3865.313       95.07423      3965.913       97.19958      621.2009 7.652455 629.2230 7.723779 -8.022095      10.87276 
1 1 1 12 11 11 o 533.4279 4.433530 2848.685       47.24665      2797.676       70.44845      2899.693       62.97428      528.6153 6.663489 538.2405 5.850013 -9.625244      8.867060 
1 1 1 12 11 12 o 427.0871 3.707230 1825.680       31.66780      1827.097       48.08971      1823.555       41.21772      427.2713 5.627537 426.9029 4.827529 0.3684387      7.414460 
1 1 1 12 11 13 o 266.5471 3.031363 711.2856       16.16687      681.9557       22.33748      740.3321       23.37182      261.0750 4.277982 272.0192 4.295988 -10.94421      6.062726 
1 1 1 12 11 14 f 86.16814 3.178635 74.52913       5.515297      81.82619       8.586436      67.13998       6.925824      90.42260 4.747948 81.91369 4.227514 8.508911       6.357270 
1 1 1 12 11 15 o 251.7695 3.076389 634.6311       15.61428      661.1272       26.29065      608.1350       16.86115      256.9918 5.115076 246.5473 3.419456 10.44450       6.152778 
1 1 1 12 11 16 o 333.9805 3.292367 1116.520       21.99743      1120.771       31.18605      1112.269       31.01602      334.6159 4.659976 333.3450 4.652240 1.270966       6.584734 
1 1 1 12 11 17 o 353.8938 3.178949 1253.960       22.50043      1254.668       34.12612      1252.543       29.33699      354.0186 4.819821 353.7690 4.146348 0.2495117      6.357899 
1 1 1 12 11 18 o 337.4011 3.076836 1139.899       20.76472      1144.858       31.61112      1134.231       26.94951      338.1616 4.673966 336.6405 4.002714 1.521149       6.153672 
1 1 1 12 11 19 o 282.8623 3.095350 801.2590       17.52001      803.3843       28.65688      799.1337       20.15545      283.1694 5.060023 282.5551 3.566641 0.6142883      6.190700 
1 1 1 12 11 20 o 339.9472 3.283876 1158.319       22.33040      1122.896       31.04436      1193.741       32.10704      334.7491 4.636959 345.1453 4.651235 -10.39618      6.567753 
1 1 1 12 11 21 o 92.22604 2.425963 85.43929       4.401611      76.30025       6.905988      94.50746       5.458621      87.27770 3.956330 97.17437 2.808673 -9.896667      4.851927 
1 1 1 12 11 22 o 232.5632 2.696875 542.0364       12.64586      562.1565       21.67862      521.8456       13.02843      236.7992 4.577428 228.3273 2.853016 8.471893       5.393751 
1 1 1 12 11 23 o 221.9759 2.849768 493.8617       12.58210      484.2268       21.76364      503.4967       12.64586      219.6856 4.953360 224.2662 2.819387 -4.580597      5.699536 
1 1 1 12 11 24 o 242.2521 2.966555 588.8651       14.20446      561.5898       24.32824      616.1405       14.66495      236.4616 5.144225 248.0425 2.956137 -11.58087      5.933110 
1 1 1 12 11 25 o 36.57358 6.301979 14.46659       4.972623      18.85190       9.160281      10.08127       3.880191      42.10571 10.82060 31.04144 6.463315 11.06427       12.60396 
1 1 1 12 11 26 o 110.0975 3.117172 121.8537       6.733126      114.9817       12.09327      128.7257       5.925491      106.8286 5.660129 113.3665 2.613422 -6.537910      6.234343 
1 1 1 12 11 27 o 166.2134 2.868528 277.7840       9.351563      260.0018       16.45025      295.4952       8.898154      160.6817 5.118893 171.7452 2.590511 -11.06343      5.737056 
1 1 1 12 11 28 f 137.4061 2.156204 189.3692       5.936118      191.7071       9.606606      186.9604       6.975416      138.2108 3.475346 136.6014 2.553201 1.609421       4.312408 
1 1 1 12 11 29 o 127.7506 2.197820 163.8649       5.666197      173.6415       9.301972      154.1591       6.472415      131.4872 3.537217 124.0140 2.609551 7.473206       4.395641 
1 1 1 12 11 30 o 239.7339 2.449599 577.1757       11.75322      579.7261       18.88733      574.5544       13.98484      240.1262 3.932791 239.3415 2.921523 0.7846527      4.899199 
1 1 1 12 11 31 o 119.4650 2.319071 143.3198       5.535134      142.6113       8.961915      144.0283       6.500045      119.0905 3.762648 119.8394 2.711981 -0.7489014     4.638142 
1 1 1 12 11 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 11 33 o 167.9178 3.132046 285.0101       10.38590      275.3044       18.58978      294.7159       9.266549      164.5026 5.650297 171.3329 2.704252 -6.830322      6.264091 
1 1 1 12 11 34 o 52.37230 5.516140 31.07270       6.663697      47.82758       12.58210      14.32489       4.388151      67.30481 9.347105 37.43979 5.860277 29.86502       11.03228 
1 1 1 12 11 35 o 85.14293 4.020206 74.74166       7.148279      85.58098       13.31889      63.88110       5.212080      90.68172 7.343759 79.60415 3.273749 11.07757       8.040412 
1 1 1 12 11 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 11 37 f 27.30527 6.247370 2.898985       5.986417      -4.891151      11.29272      10.69054       3.975122      23.20513 10.64399 31.40541 6.544007 -8.200279      12.49474 
1 1 1 12 11 38 o 49.74859 6.725600 28.36641       6.470999      26.90700       12.22788      29.83290       4.244335      45.50578 12.86411 53.99139 3.930566 -8.485615      13.45120 
1 1 1 12 11 39 o 28.50462 7.985360 11.93741       7.226208      19.16362       13.43225      4.706245       5.340310      35.11555 13.51837 21.89368 8.503970 13.22187       15.97072 
1 1 1 12 11 40 o 70.14835 4.353383 53.11263       5.950287      52.19873       10.93850      54.02653       4.680032      67.60683 8.089787 72.68986 3.219178 -5.083031      8.706765 
1 1 1 12 11 41 o 68.53145 4.011314 50.99436       5.415406      52.24832       10.16628      49.74040       3.742042      67.21800 7.562173 69.84489 2.678823 -2.626892      8.022628 
1 1 1 12 11 42 o 18.45316 5.930103 1.930531       4.731750      5.587560       8.586436      -1.725789      3.976540      23.26911 10.06065 13.63721 6.280751 9.631902       11.86021 
1 1 1 12 11 43 o 30.91342 6.008366 13.40391       4.593602      13.11344       8.331393      13.70146       3.868855      27.37601 10.62418 34.45082 5.615040 -7.074808      12.01673 
1 1 1 12 12 0  o 56.13747 4.617025 32.15663       5.115730      32.15663       5.115730      32.15663       5.115730      56.13747 4.617025 56.13747 4.617025 0.000000       0.000000 
1 1 1 12 12 1  o 211.6938 2.194249 448.2375       9.287803      446.5371       13.13470      449.9377       13.14178      211.2922 3.108182 212.0954 3.098082 -0.8031769     4.388498 
1 1 1 12 12 2  o 729.6168 5.415516 5329.683       78.99238      5331.100       111.7937      5328.975       111.7228      729.6894 7.660362 729.5443 7.657030 0.1450806      10.83103 
1 1 1 12 12 3  o 95.50531 2.352178 91.24860       4.493001      86.99788       6.237917      95.57014       6.468165      93.26178 3.344306 97.74884 3.308563 -4.487061      4.704357 
1 1 1 12 12 4  o 167.0061 2.101549 278.9883       7.017214      273.5333       9.932493      284.4434       9.918325      165.3729 3.003060 168.6393 2.940691 -3.266418      4.203098 
1 1 1 12 12 5  o 485.4108 3.759590 2357.728       36.49944      2379.689       52.07121      2335.766       51.16439      487.6703 5.338771 483.1512 5.294864 4.519196       7.519180 
1 1 1 12 12 6  o 468.0701 3.643633 2191.950       34.11195      2175.655       47.89134      2208.953       48.58562      466.2938 5.135319 469.8464 5.170373 -3.552643      7.287267 
1 1 1 12 12 7  o 284.7617 2.544666 811.1773       14.49492      806.9266       20.39633      815.4280       20.59469      284.0158 3.590703 285.5076 3.606681 -1.491791      5.089331 
1 1 1 12 12 8  o 557.5368 4.581859 3112.229       51.06521      3139.150       67.55797      3085.308       76.58364      559.9924 6.032043 555.0812 6.898418 4.911255       9.163717 
1 1 1 12 12 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 12 10 o 620.0991 5.068250 3850.436       62.88218      3836.267       81.96787      3864.605       95.35760      619.0195 6.620782 621.1787 7.675538 -2.159180      10.13650 
1 1 1 12 12 11 o 402.4476 3.274354 1620.229       26.35441      1603.935       37.10162      1637.232       37.44168      400.3802 4.633299 404.5150 4.627972 -4.134796      6.548708 
1 1 1 12 12 12 o 510.0103 4.299885 2603.560       43.86733      2608.520       66.70074      2599.310       56.98786      510.4187 6.533924 509.6018 5.591411 0.8169250      8.599770 
1 1 1 12 12 13 o 522.8915 4.374899 2737.458       45.75182      2739.583       69.47079      2736.041       59.55954      523.0074 6.641472 522.7755 5.696474 0.2319336      8.749798 
1 1 1 12 12 14 o 340.7671 3.362713 1162.569       22.93258      1200.826       33.37516      1124.313       31.45526      346.3714 4.817829 335.1628 4.692535 11.20862       6.725427 
1 1 1 12 12 15 o 159.7865 2.446121 255.5385       7.792970      246.1870       11.69654      264.8901       10.30797      156.8549 3.728459 162.7181 3.167434 -5.863190      4.892243 
1 1 1 12 12 16 o 99.72948 2.689552 99.53748       5.373607      101.5211       8.161365      97.55381       6.987460      100.7188 4.051562 98.74021 3.538305 1.978539       5.379104 
1 1 1 12 12 17 o 143.2335 2.641496 205.5927       7.658363      219.9034       12.79464      191.2111       8.423491      148.2207 4.316077 138.2462 3.046554 9.974442       5.282993 
1 1 1 12 12 18 o 182.9900 2.357231 335.1685       8.614774      329.2884       13.01426      340.9778       11.29272      181.3832 3.587503 184.5968 3.058753 -3.213562      4.714462 
1 1 1 12 12 19 o 233.1583 2.781820 544.9412       12.85840      510.8646       20.19796      579.0176       15.91891      225.8120 4.472296 240.5047 3.309481 -14.69269      5.563640 
1 1 1 12 12 20 o 254.1290 2.905359 647.0291       14.70037      628.4676       23.46392      665.6613       17.72546      250.4104 4.685095 257.8477 3.437197 -7.437332      5.810717 
1 1 1 12 12 21 o 68.59726 3.195215 47.40959       4.307387      40.56595       6.488001      54.26032       5.666197      63.59588 5.100961 73.59863 3.849390 -10.00275      6.390431 
1 1 1 12 12 22 o 146.7925 3.019900 216.0778       8.806056      207.2930       14.28239      224.8626       10.29380      143.7460 4.967927 149.8391 3.434952 -6.093185      6.039801 
1 1 1 12 12 23 o 262.8763 3.479246 0.000000       0.000000      ?              ?             692.2991       18.29222      ?        ?        262.8763 3.479246 ?              ?        
1 1 1 12 12 24 o 217.6324 2.383127 474.8752       10.43549      493.7909       17.04535      455.9596       12.04368      221.8973 3.840819 213.3676 2.822284 8.529739       4.766254 
1 1 1 12 12 25 o 217.5087 2.901146 474.9461       12.56085      467.7199       21.85574      482.1723       12.39791      215.6341 5.067784 219.3834 2.825625 -3.749344      5.802292 
1 1 1 12 12 26 o 140.0778 2.866519 197.0204       8.097604      203.3257       14.55160      190.7861       7.127024      142.1417 5.118694 138.0139 2.581996 4.127853       5.733038 
1 1 1 12 12 27 o 50.19725 5.001218 25.92933       5.358021      31.75281       9.897071      20.09878       4.108312      55.70243 8.883878 44.69208 4.596242 11.01035       10.00244 
1 1 1 12 12 28 o 161.5619 2.873253 262.4814       9.394071      273.6041       16.91074      251.2878       8.189702      164.7616 5.131884 158.3622 2.585751 6.399368       5.746506 
1 1 1 12 12 29 o 82.42532 2.589847 68.26641       4.279757      69.52746       6.908822      66.99828       5.054096      83.13393 4.155236 81.71672 3.092448 1.417213       5.179693 
1 1 1 12 12 30 o 86.69808 2.552518 75.52096       4.415071      74.17490       6.950621      76.93786       5.445868      85.84843 4.048193 87.54773 3.110229 -1.699295      5.105035 
1 1 1 12 12 31 o 54.36224 3.777013 30.10212       4.000627      25.19254       6.167073      35.01168       5.098019      49.78776 6.193363 58.93673 4.324993 -9.148972      7.554026 
1 1 1 12 12 32 o 156.3849 2.660532 247.0371       8.161365      223.3748       13.22680      270.7703       9.578268      148.6179 4.449934 164.1518 2.917503 -15.53392      5.321065 
1 1 1 12 12 33 f 127.3220 3.575964 164.5733       8.876901      152.8839       15.80556      176.3336       8.090520      122.2037 6.466893 132.4403 3.054402 -10.23666      7.151928 
1 1 1 12 12 34 o 143.5893 3.309225 209.4892       9.627860      220.1160       17.42792      198.7916       8.182618      146.5937 5.944290 140.5849 2.910205 6.008835       6.618450 
1 1 1 12 12 35 o 124.7376 3.488034 159.1891       8.905238      173.0748       16.25188      145.3035       7.297054      129.4042 6.279504 120.0710 3.038641 9.333206       6.976068 
1 1 1 12 12 36 o 67.81889 5.355242 48.45102       6.939286      44.63246       12.83715      52.27666       5.277257      63.79628 10.06105 71.84151 3.672847 -8.045227      10.71048 
1 1 1 12 12 37 o 41.17567 7.242358 19.64537       6.688493      23.61270       12.58919      15.67804       4.519214      43.51723 13.26464 38.83410 5.818616 4.683136       14.48472 
1 1 1 12 12 38 f 76.53117 4.482810 63.24349       7.367898      77.92970       14.03443      48.59270       4.468206      83.90363 8.363423 69.15872 3.230399 14.74490       8.965619 
1 1 1 12 12 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 12 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 12 41 o 18.73952 6.557989 1.840558       6.746586      9.507423       13.10636      -5.826308      3.207870      27.75113 12.21279 9.727904 4.782962 18.02323       13.11598 
1 1 1 12 12 42 o 25.82375 7.472965 12.32706       7.015798      19.65245       13.48184      5.007337       3.891525      31.09295 12.98679 20.55456 7.397573 10.53839       14.94593 
1 1 1 12 13 0  o 241.4850 3.312110 583.5517       15.98976      583.5517       15.98976      583.5517       15.98976      241.4850 3.312110 241.4850 3.312110 -0.000000      0.000000 
1 1 1 12 13 1  o 373.2650 3.054554 1394.233       22.80506      1384.315       32.01493      1403.443       32.48251      371.9850 4.303257 374.5450 4.336264 -2.559967      6.109108 
1 1 1 12 13 2  o 488.2694 3.785301 2386.066       36.96701      2367.646       51.92951      2403.777       52.62380      486.4217 5.337912 490.1172 5.368492 -3.695526      7.570601 
1 1 1 12 13 3  o 386.8568 3.145377 1497.667       24.33532      1499.792       34.43784      1494.833       34.39534      387.1771 4.447298 386.5364 4.449171 0.6407166      6.290754 
1 1 1 12 13 4  o 147.8045 2.158131 218.5574       6.380316      216.0778       8.976085      220.9661       9.068183      146.9778 3.053550 148.6311 3.050566 -1.653290      4.316262 
1 1 1 12 13 5  o 284.7584 2.579882 811.1773       14.69329      814.7195       20.88516      807.6351       20.67262      285.3799 3.659186 284.1370 3.637792 1.242859       5.159765 
1 1 1 12 13 6  o 613.7166 4.640427 3771.089       56.95244      3775.340       80.69266      3766.838       80.40928      614.0615 6.570405 613.3715 6.554696 0.6900024      9.280854 
1 1 1 12 13 7  o 284.5026 5.583788 810.4688       31.77406      810.4688       47.08371      811.1773       42.67005      284.4161 8.277258 284.5891 7.496782 -0.1730042     11.16758 
1 1 1 12 13 8  o 215.0420 2.379106 462.6190       10.23004      457.5890       14.43825      467.5782       14.50201      213.8809 3.375301 216.2032 3.353791 -2.322311      4.758211 
1 1 1 12 13 9  o 515.7313 4.007502 2661.653       41.33816      2648.193       58.24182      2675.823       58.67398      514.3936 5.661212 517.0692 5.673707 -2.675598      8.015003 
1 1 1 12 13 10 o 191.7180 2.453480 367.7573       9.408240      375.8337       13.50309      359.6101       13.10636      193.8327 3.483182 189.6034 3.456256 4.229233       4.906960 
1 1 1 12 13 11 o 471.5830 3.733776 2226.664       35.23131      2161.487       48.45811      2291.133       51.15730      464.7212 5.213675 478.4449 5.346207 -13.72369      7.467552 
1 1 1 12 13 12 o 127.0184 2.657348 161.5270       6.723916      169.8867       8.983169      153.1673       10.01042      130.3127 3.446775 123.7242 4.045458 6.588432       5.314695 
1 1 1 12 13 13 o 528.9843 4.416558 2802.635       46.74364      2817.513       71.19940      2787.758       60.58679      530.3243 6.712817 527.6442 5.741256 2.680176       8.833116 
1 1 1 12 13 14 o 151.4700 2.874817 229.6092       8.685618      226.9879       14.62953      232.2305       9.372816      150.5813 4.857684 152.3587 3.075905 -1.777374      5.749633 
1 1 1 12 13 15 o 465.6510 4.227845 2172.113       39.37575      2135.982       55.06796      2208.244       56.30066      461.7801 5.962574 469.5219 5.995531 -7.741852      8.455689 
1 1 1 12 13 16 o 410.9167 3.574248 1691.074       29.36533      1686.824       44.49786      1694.617       38.34141      410.4032 5.421237 411.4303 4.659527 -1.027100      7.148497 
1 1 1 12 13 17 o 108.3815 2.553154 117.6030       5.513880      113.4231       8.508506      121.7829       7.012255      106.4444 3.996690 110.3186 3.178183 -3.874237      5.106308 
1 1 1 12 13 18 o 245.2261 2.473300 602.0424       12.11453      596.0913       19.17779      607.9933       14.80664      243.9782 3.930226 246.4739 3.003694 -2.495728      4.946600 
1 1 1 12 13 19 o 108.9937 2.512767 119.0199       5.457912      113.1397       8.118857      124.9001       7.297054      106.2889 3.819240 111.6985 3.266405 -5.409615      5.025534 
1 1 1 12 13 20 f 232.1986 2.877373 540.4070       13.46767      564.7069       22.40125      516.1780       14.95542      237.3397 4.719238 227.0576 3.293310 10.28210       5.754745 
1 1 1 12 13 21 o 100.8805 2.714839 102.0171       5.478457      105.0634       7.913406      98.89986       7.580434      102.4039 3.863823 99.35706 3.814744 3.046791       5.429677 
1 1 1 12 13 22 o 57.32529 3.806504 33.07761       4.360521      29.75498       5.978625      36.40734       6.349853      54.43125 5.491905 60.21932 5.272273 -5.788071      7.613007 
1 1 1 12 13 23 o 71.13084 3.283613 51.46194       4.748752      63.12305       7.686701      39.80082       5.580475      79.28397 4.847576 62.97771 4.430516 16.30627       6.567226 
1 1 1 12 13 24 o 184.1663 2.385722 340.0569       8.770633      332.7598       13.19846      347.3539       11.56193      182.1550 3.622863 186.1776 3.105082 -4.022537      4.771443 
1 1 1 12 13 25 o 68.12136 3.137846 46.72948       4.235125      42.17413       6.327183      51.28483       5.632192      64.75984 4.885113 71.48288 3.939539 -6.723038      6.275691 
1 1 1 12 13 26 o 72.83921 4.363603 53.69356       6.183367      49.21615       10.91724      58.17098       5.814264      69.56242 7.847083 76.11600 3.819344 -6.553574      8.727205 
1 1 1 12 13 27 o 119.4402 3.069033 143.6032       7.459997      152.4588       13.49601      134.7475       6.368981      122.9286 5.489370 115.9518 2.746393 6.976799       6.138066 
1 1 1 12 13 28 o 105.8575 3.333428 112.9272       7.105771      115.9736       12.94341      109.9517       5.873774      107.0024 6.048187 104.7126 2.804712 2.289848       6.666856 
1 1 1 12 13 29 o 180.5622 2.992396 328.3674       10.97392      346.7163       19.75164      310.0185       9.571183      185.2798 5.330219 175.8445 2.721490 9.435242       5.984793 
1 1 1 12 13 30 o 104.8977 2.570434 110.6602       5.414697      115.5485       8.437660      105.7719       6.786260      107.1691 3.936611 102.6262 3.306299 4.542870       5.140867 
1 1 1 12 13 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 32 o 125.0592 2.481286 157.4180       6.213830      159.6850       9.634944      155.2218       7.849646      125.8667 3.827441 124.2517 3.158767 1.614937       4.962572 
1 1 1 12 13 33 o 77.84627 2.996716 61.88326       4.720414      74.17490       7.495420      49.62704       5.737751      85.61279 4.377512 70.07975 4.093729 15.53304       5.993433 
1 1 1 12 13 34 f 65.28928 3.318488 43.50602       4.398777      49.05320       7.176617      37.95884       5.090226      69.35674 5.173698 61.22182 4.157199 8.134922       6.636976 
1 1 1 12 13 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 13 36 o 64.16344 7.417674 47.72131       9.897071      60.54429       19.21321      34.90542       4.789842      69.77738 14.26029 58.54951 4.090421 11.22787       14.83535 
1 1 1 12 13 37 o 69.00546 7.602154 55.08921       9.202788      47.84883       17.65462      62.32250       5.191535      59.66178 14.83895 78.34915 3.313077 -18.68737      15.20431 
1 1 1 12 13 38 o 26.89188 6.594229 -4.570931      8.536844      -19.67370      16.55652      10.53468       4.191200      22.98997 11.19794 30.79380 6.967173 -7.803827      13.18846 
1 1 1 12 13 39 o 46.03812 6.343650 26.17729       5.965164      31.48360       11.17229      20.87099       4.189075      47.62275 11.77994 44.45350 4.711750 3.169247       12.68730 
1 1 1 12 13 40 o 59.23046 4.625690 38.67439       5.242543      37.42042       9.812057      39.92126       3.695993      55.96614 8.766067 62.49479 2.957041 -6.528652      9.251379 
1 1 1 12 13 41 o 65.23489 4.733740 48.71315       5.656280      39.95668       9.769550      57.46961       5.704454      56.49189 8.646861 73.97791 3.855512 -17.48602      9.467480 
1 1 1 12 13 42 o 20.52930 6.426867 4.113271       6.054429      5.047010       11.44858      3.179532       3.943242      23.08800 10.64237 17.97061 7.208224 5.117386       12.85373 
1 1 1 12 14 0  o 411.5123 4.699570 1694.617       38.66730      1694.617       38.66730      1694.617       38.66730      411.5123 4.699570 411.5123 4.699570 -0.000000      0.000000 
1 1 1 12 14 1  o 243.4776 2.413428 592.9742       11.75322      592.3365       16.61319      593.6826       16.62736      243.3394 3.413585 243.6157 3.412621 -0.2763214     4.826857 
1 1 1 12 14 2  o 247.8671 2.440399 614.5819       12.10036      623.0125       17.24372      606.2222       16.97450      249.5599 3.454825 246.1743 3.447660 3.385635       4.880797 
1 1 1 12 14 3  o 333.3149 2.873562 1111.561       19.15654      1095.975       26.80782      1127.147       27.37458      330.9785 4.049782 335.6513 4.077830 -4.672760      5.747124 
1 1 1 12 14 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 5  o 287.2887 2.680088 826.0548       15.40174      815.4280       21.62903      835.9731       21.92658      285.5016 3.787900 289.0758 3.792531 -3.574188      5.360176 
1 1 1 12 14 6  o 324.0104 2.862594 1050.634       18.54727      1052.759       26.30482      1047.800       26.16313      324.3927 4.054471 323.6281 4.042158 0.7645264      5.725188 
1 1 1 12 14 7  o 324.6102 2.880445 1054.176       18.70313      1048.509       26.29773      1059.844       26.59528      323.7380 4.061576 325.4825 4.085517 -1.744415      5.760890 
1 1 1 12 14 8  o 410.9215 3.377736 1689.658       27.76423      1710.911       39.69455      1668.404       38.82316      413.5048 4.799769 408.3382 4.753799 5.166595       6.755471 
1 1 1 12 14 9  o 206.7493 2.574424 427.6215       10.64803      428.6841       15.07585      426.5588       15.03335      207.0062 3.641402 206.4924 3.640170 0.5137634      5.148849 
1 1 1 12 14 10 o 475.6065 3.763924 2264.212       35.80515      2272.005       50.76765      2256.419       50.49844      476.4245 5.327985 474.7885 5.317994 1.636078       7.527847 
1 1 1 12 14 11 o 202.4602 2.380962 410.1227       9.642029      406.0137       13.60936      414.1609       13.65895      201.4544 3.377777 203.4661 3.356567 -2.011719      4.761923 
1 1 1 12 14 12 f 40.85176 13.03998 0.000000       0.000000      ?              ?             16.45733       12.00117      ?        ?        40.85176 13.03998 ?              ?        
1 1 1 12 14 13 o 119.8305 2.413406 143.6740       5.783092      145.1618       8.147196      142.1863       8.210957      120.4515 3.381940 119.2094 3.443920 1.242058       4.826811 
1 1 1 12 14 14 o 196.4905 2.665151 386.8855       10.47800      358.9017       14.31781      414.7986       15.30256      189.3830 3.780121 203.5980 3.758033 -14.21503      5.330302 
1 1 1 12 14 15 o 85.96057 3.541980 73.96236       6.078516      75.73349       7.906322      72.26208       9.231127      86.97868 4.544977 84.94247 5.433753 2.036209       7.083960 
1 1 1 12 14 16 o 64.50471 3.463274 41.72073       4.493710      44.36325       7.044137      39.07111       5.581892      66.54391 5.292848 62.46553 4.467978 4.078381       6.926548 
1 1 1 12 14 17 o 300.4940 2.891158 904.6929       17.37124      899.7338       26.36149      908.9437       22.62086      299.6933 4.398078 301.2948 3.753943 -1.601440      5.782316 
1 1 1 12 14 18 o 290.9088 2.841911 848.0168       16.52110      840.9323       25.11462      854.3929       21.48026      289.7155 4.334358 292.1021 3.676841 -2.386536      5.683821 
1 1 1 12 14 19 o 225.1985 2.514629 507.8891       11.32106      505.4803       17.29331      510.2270       14.61536      224.6455 3.849022 225.7516 3.237044 -1.106171      5.029257 
1 1 1 12 14 20 o 110.9916 2.839900 123.4123       6.280425      121.1453       10.38590      125.7502       7.066098      109.9139 4.724564 112.0693 3.152557 -2.155434      5.679800 
1 1 1 12 14 21 o 120.5875 2.852220 146.5078       6.949912      125.3960       8.529759      167.6197       10.97392      111.8679 3.812424 129.3071 4.243356 -17.43914      5.704441 
1 1 1 12 14 22 o 219.9502 2.410450 484.7227       10.59844      483.3058       16.93200      486.1396       12.75213      219.5691 3.855734 220.3313 2.893853 -0.7622833     4.820899 
1 1 1 12 14 23 o 19.62749 5.534012 0.2607811      3.667655      5.561347       5.496169      -5.039926      4.859271      24.97381 8.810935 14.28118 6.698402 10.69263       11.06802 
1 1 1 12 14 24 f 203.4929 3.025014 416.2154       12.45458      438.2483       21.40941      394.1117       12.72379      208.7021 5.129179 198.2837 3.208482 10.41843       6.050028 
1 1 1 12 14 25 o 152.5982 2.404908 233.6474       7.325392      225.9961       10.95975      241.2278       9.712874      150.0758 3.651404 155.1207 3.130748 -5.044846      4.809817 
1 1 1 12 14 26 f 62.57580 3.640698 40.11254       4.485917      29.96751       6.102604      50.25757       6.577267      54.48759 5.599995 70.66401 4.653902 -16.17642      7.281397 
1 1 1 12 14 27 o 88.77180 2.967684 79.20491       5.270173      78.70899       7.573349      79.77167       7.325392      88.46437 4.280452 89.07922 4.111729 -0.6148529     5.935367 
1 1 1 12 14 28 o 113.4427 3.592448 129.8592       8.118857      128.0172       13.77939      131.6304       8.586436      112.4287 6.128055 114.4566 3.750956 -2.027916      7.184896 
1 1 1 12 14 29 o 111.6319 3.856554 126.1044       8.529759      121.7829       14.55868      130.4260       8.883986      109.4018 6.653768 113.8621 3.901204 -4.460289      7.713107 
1 1 1 12 14 30 o 75.05359 6.875567 60.69307       11.61152      81.18858       22.40125      40.20464       6.106854      87.02095 12.87118 63.08622 4.840086 23.93473       13.75113 
1 1 1 12 14 31 o 114.4540 2.911893 132.5513       6.540427      119.6575       10.56302      145.4451       7.715039      108.6593 4.860611 120.2487 3.207951 -11.58936      5.823787 
1 1 1 12 14 32 o 22.40402 5.996661 3.261712       3.898610      0.9379901      6.196828      5.585434       4.732458      20.79347 8.750867 24.01457 8.201348 -3.221098      11.99332 
1 1 1 12 14 33 o 30.93614 6.035028 10.32214       3.902861      10.20879       6.142277      10.43549       4.816764      30.80084 9.240870 31.07145 7.764829 -0.2706070     12.07006 
1 1 1 12 14 34 o 160.5039 2.582773 260.4977       8.324308      267.2280       13.97067      253.8383       9.061099      162.2225 4.306019 158.7853 2.853255 3.437256       5.165546 
1 1 1 12 14 35 o 25.96523 6.049496 7.069641       3.652777      7.587519       5.561347      6.548929       4.738125      26.87253 8.890609 25.05793 8.206258 1.814596       12.09899 
1 1 1 12 14 36 o 100.8671 4.159780 105.7719       8.097604      98.75818       14.94125      112.7855       6.248545      96.06756 7.776428 105.6666 2.956728 -9.598999      8.319559 
1 1 1 12 14 37 o 92.07105 4.901854 91.46112       8.111773      72.19124       14.79247      110.6602       6.649529      79.77193 9.271729 104.3702 3.185550 -24.59825      9.803707 
1 1 1 12 14 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 14 40 o 57.80227 6.856645 42.24498       7.424574      45.45426       14.38157      39.03569       3.712287      53.94139 13.37884 61.66314 3.010135 -7.721748      13.71329 
1 1 1 12 14 41 o 27.93067 6.941680 11.15103       6.124566      12.51126       11.54068      9.783719       4.107604      27.80063 11.83129 28.06071 7.264183 -0.2600727     13.88336 
1 1 1 12 14 42 o 16.17284 5.482637 -3.571306      5.840477      -6.995253      11.02351      -0.1466495     3.864604      18.09591 8.887346 14.24978 6.422796 3.846128       10.96527 
1 1 1 12 15 0  o 135.4598 3.603871 183.9141       9.748297      183.9141       9.748297      183.9141       9.748297      135.4598 3.603871 135.4598 3.603871 -0.000000      0.000000 
1 1 1 12 15 1  o 225.1197 2.478677 507.1098       11.16520      525.0336       16.18812      489.1859       15.38049      229.0988 3.533001 221.1406 3.477537 7.958221       4.957354 
1 1 1 12 15 2  f 188.9275 2.418280 357.0597       9.139028      352.3839       12.87965      361.7355       12.96467      187.6902 3.431093 190.1648 3.408799 -2.474548      4.836560 
1 1 1 12 15 3  o 222.7713 2.724603 497.0498       12.08619      463.8234       17.81048      530.2053       16.33690      215.3181 4.135853 230.2245 3.548036 -14.90642      5.449205 
1 1 1 12 15 4  o 251.1458 2.589620 630.9471       13.00717      638.4567       18.45517      623.5084       18.33473      252.6335 3.652557 249.6581 3.671969 2.975479       5.179240 
1 1 1 12 15 5  o 812.8293 6.047436 6619.774       98.33311      6679.284       140.2735      6560.264       137.7939      816.4760 8.590177 809.1826 8.514387 7.293396       12.09487 
1 1 1 12 15 6  o 556.9506 4.318052 3105.144       48.11096      3169.613       69.30784      3041.384       66.74324      562.6956 6.158556 551.2057 6.054296 11.48987       8.636105 
1 1 1 12 15 7  o 383.7436 3.253102 1473.580       24.96584      1487.040       35.62804      1460.119       34.99043      385.4952 4.621075 381.9920 4.579996 3.503204       6.506204 
1 1 1 12 15 8  o 617.0371 4.706718 3813.596       58.07180      3855.395       83.03055      3771.089       81.25941      620.4427 6.691234 613.6314 6.621192 6.811340       9.413436 
1 1 1 12 15 9  o 598.0532 4.573473 3582.641       54.72081      3559.970       76.93786      3604.603       77.78800      596.1926 6.452434 599.9138 6.483265 -3.721252      9.146946 
1 1 1 12 15 10 o 421.2773 3.424364 1776.797       28.84815      1788.841       41.01936      1764.045       40.58720      422.7467 4.851529 419.8080 4.834020 2.938751       6.848729 
1 1 1 12 15 11 o 101.6132 2.857176 103.5048       5.825599      94.93254       7.644195      112.0771       8.791886      97.40021 3.924116 105.8261 4.153930 -8.425934      5.714353 
1 1 1 12 15 12 o 169.0628 2.526388 286.0020       8.558097      293.1573       13.21263      278.9174       10.88890      171.1588 3.859757 166.9667 3.260800 4.192062       5.052775 
1 1 1 12 15 13 o 386.3668 3.186098 1494.125       24.62578      1457.285       34.09778      1531.673       35.54303      381.5614 4.468191 391.1723 4.543142 -9.610901      6.372195 
1 1 1 12 15 14 o 29.60948 5.839932 8.345562       4.094143      1.520337       5.751920      15.16795       5.827724      21.04388 8.602685 38.17509 7.900193 -17.13121      11.67986 
1 1 1 12 15 15 o 113.8140 2.420805 129.6467       5.509629      128.3006       7.743378      130.9927       7.842561      113.2233 3.419516 114.4048 3.427549 -1.181488      4.841609 
1 1 1 12 15 16 o 206.2621 2.526069 425.9921       10.42841      431.0929       16.04643      420.8203       13.33306      207.4849 3.866892 205.0392 3.251344 2.445663       5.052137 
1 1 1 12 15 17 o 338.0458 3.014519 1144.858       20.35382      1134.940       32.17788      1154.776       24.94459      336.5020 4.781232 339.5897 3.672754 -3.087677      6.029038 
1 1 1 12 15 18 o 127.8130 2.470747 163.5815       6.317973      164.0774       9.833311      163.0856       7.934660      127.9888 3.841473 127.6371 3.108289 0.3516846      4.941495 
1 1 1 12 15 19 o 181.2670 2.428927 329.0758       8.820225      334.2476       13.69437      323.9041       11.11561      182.6663 3.748467 179.8676 3.089942 2.798706       4.857854 
1 1 1 12 15 20 o 104.5970 2.640456 109.6683       5.538676      112.5022       8.735210      106.7637       6.815306      105.9443 4.122550 103.2498 3.300396 2.694450       5.280912 
1 1 1 12 15 21 o 117.2679 3.233425 138.9274       7.261631      115.8319       12.13578      162.0229       7.991336      107.3489 5.652494 127.1870 3.141569 -19.83812      6.466850 
1 1 1 12 15 22 o 71.79422 3.121217 51.95785       4.525590      58.47561       7.141194      45.43301       5.559929      76.30050 4.679651 67.28793 4.131446 9.012566       6.242434 
1 1 1 12 15 23 o 57.15916 3.670305 32.93592       4.223081      35.72723       6.583642      30.14462       5.290718      59.56198 5.526716 54.75635 4.831146 4.805630       7.340610 
1 1 1 12 15 24 o 144.8182 2.584463 210.4810       7.516674      216.0778       12.22079      204.8134       8.749379      146.6863 4.165623 142.9501 3.060291 3.736130       5.168926 
1 1 1 12 15 25 f 80.51064 3.006280 65.51054       4.894693      75.16674       7.757547      55.88268       5.969415      86.44250 4.487114 74.57879 4.002086 11.86371       6.012561 
1 1 1 12 15 26 o 117.1114 2.965899 137.9356       6.971874      144.1699       10.71888      131.7012       8.912323      119.7173 4.476744 114.5056 3.891655 5.211754       5.931798 
1 1 1 12 15 27 o 42.91872 5.232581 19.08569       4.414363      20.50968       6.774924      17.66879       5.660530      44.14523 7.964687 41.69222 6.788473 2.453007       10.46516 
1 1 1 12 15 28 o 19.73449 5.926235 -0.2684324E-01 4.157195      2.638274       6.279008      -2.691408      5.450119      22.59476 9.082253 16.87422 7.615361 5.720545       11.85247 
1 1 1 12 15 29 o 133.6620 2.836857 179.8051       7.566265      177.0421       11.87365      182.5680       9.386987      132.5302 4.479602 134.7937 3.481983 -2.263443      5.673715 
1 1 1 12 15 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 15 31 o 42.47844 7.950343 19.69496       7.339560      20.79306       13.10636      18.59686       6.619065      43.25034 13.60618 41.70654 8.228229 1.543800       15.90069 
1 1 1 12 15 32 o 32.22609 6.065989 11.39899       4.048802      14.30364       6.434159      8.501422       4.916656      36.21859 8.927703 28.23359 8.214682 7.985001       12.13198 
1 1 1 12 15 33 o 96.73340 2.729897 94.64915       5.314805      99.75002       8.515590      89.61916       6.361897      99.19768 4.292233 94.26912 3.374327 4.928558       5.459794 
1 1 1 12 15 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 15 35 o 113.5042 2.637776 130.8510       5.929741      123.8374       9.514507      137.8647       7.082392      110.1734 4.317968 116.8350 3.030939 -6.661545      5.275551 
1 1 1 12 15 36 o 88.89457 2.750241 80.83435       4.948535      88.91070       8.026759      72.82884       5.787343      93.12078 4.309865 84.66836 3.417654 8.452423       5.500481 
1 1 1 12 15 37 o 42.78448 8.705544 25.56094       9.344479      38.22097       18.12220      12.89382       4.582975      51.36736 15.96741 34.20162 6.941733 17.16574       17.41109 
1 1 1 12 15 38 o 38.09250 7.504567 20.42466       9.245295      18.95817       17.85299      21.89116       4.813930      31.48632 14.00990 44.69868 5.384868 -13.21237      15.00913 
1 1 1 12 15 39 o 34.28575 5.993895 13.26222       5.099436      8.565183       9.472000      17.96634       3.784549      27.28140 11.07720 41.29010 4.582878 -14.00869      11.98779 
1 1 1 12 15 40 o 78.89428 4.161195 69.08113       5.834808      54.77749       10.65512      83.38477       4.759379      67.48749 7.894141 90.30107 2.635284 -22.81358      8.322390 
1 1 1 12 15 41 o 24.94957 6.318676 9.224042       4.651694      12.52543       8.806056      5.931867       2.998168      27.77053 10.89268 22.12861 6.407200 5.641916       12.63735 
1 1 1 12 16 0  o 156.9532 3.791971 246.8246       11.88782      246.8246       11.88782      246.8246       11.88782      156.9532 3.791971 156.9532 3.791971 0.000000       0.000000 
1 1 1 12 16 1  o 248.1260 2.699500 615.9988       13.39682      605.8679       18.90149      626.0588       18.98651      246.0919 3.840333 250.1601 3.794871 -4.068207      5.399000 
1 1 1 12 16 2  o 209.3498 2.631579 438.5317       11.01642      447.3873       15.74180      429.6051       15.42300      211.4724 3.721951 207.2272 3.721277 4.245255       5.263157 
1 1 1 12 16 3  o 360.8344 3.147981 1302.843       22.72005      1287.965       31.90867      1317.720       32.34791      358.7744 4.446899 362.8944 4.456931 -4.120087      6.295963 
1 1 1 12 16 4  o 236.3624 2.631764 558.8976       12.44041      564.2110       17.78922      553.6551       17.39958      237.4777 3.745451 235.2470 3.698150 2.230667       5.263527 
1 1 1 12 16 5  o 207.0433 2.551507 428.8259       10.56302      427.5507       15.02626      430.1719       14.85623      206.7263 3.634338 207.3603 3.582227 -0.6340485     5.103015 
1 1 1 12 16 6  o 275.2508 2.697666 758.0435       14.84915      751.6674       20.91350      764.4195       21.09061      274.0932 3.815035 276.4084 3.815118 -2.315216      5.395332 
1 1 1 12 16 7  o 368.8505 3.145010 1361.644       23.20180      1337.557       32.34082      1385.732       33.28306      365.5893 4.423109 372.1117 4.472188 -6.522369      6.290020 
1 1 1 12 16 8  o 110.6060 2.728780 122.7038       6.027507      133.8974       8.678535      111.4395       8.366816      115.6809 3.751067 105.5311 3.964147 10.14977       5.457561 
1 1 1 12 16 9  o 249.5053 2.555790 622.9417       12.75213      611.2522       17.72546      634.6311       18.34890      247.1653 3.585751 251.8454 3.642890 -4.680084      5.111581 
1 1 1 12 16 10 o 241.9816 2.484179 585.8896       12.02243      576.4672       16.79031      595.3829       17.21538      240.0291 3.497556 243.9342 3.528694 -3.905045      4.968358 
1 1 1 12 16 11 o 175.2834 2.303546 307.3972       8.076350      306.9013       11.33523      307.8931       11.50526      175.1426 3.236000 175.4242 3.279268 -0.2816010     4.607091 
1 1 1 12 16 12 o 234.4507 2.432333 550.2545       11.41316      528.1508       15.68512      572.2874       16.57777      229.7482 3.413547 239.1532 3.465931 -9.405045      4.864666 
1 1 1 12 16 13 o 226.3817 2.615918 512.9191       11.83823      506.8264       17.89549      519.0117       15.48676      225.0229 3.976370 227.7405 3.400088 -2.717590      5.231837 
1 1 1 12 16 14 o 183.6421 2.524229 337.6481       9.301972      325.9586       11.77447      349.4084       14.39574      180.4681 3.262203 186.8162 3.852916 -6.348083      5.048458 
1 1 1 12 16 15 o 55.68128 3.919462 31.30648       4.340684      26.16313       5.958079      36.44984       6.314431      51.06738 5.833548 60.29519 5.236264 -9.227814      7.838924 
1 1 1 12 16 16 o 246.6340 2.474951 609.0560       12.20662      603.3884       17.17287      614.7236       17.35707      245.4867 3.497720 247.7814 3.502497 -2.294724      4.949902 
1 1 1 12 16 17 o 133.8350 2.347828 179.3091       6.284676      177.1838       8.834394      181.5053       8.940661      133.0287 3.320483 134.6413 3.320178 -1.612549      4.695657 
1 1 1 12 16 18 o 164.1902 2.121324 269.9201       6.966915      269.9910       10.48509      269.7784       9.174451      164.2104 3.192577 164.1700 2.794193 0.4042053E-01  4.242648 
1 1 1 12 16 19 o 37.83097 5.476467 14.71454       4.067222      13.16303       6.641736      16.26605       4.697035      35.42411 9.268276 40.23783 5.836592 -4.813721      10.95293 
1 1 1 12 16 20 o 47.55252 4.410150 22.88299       4.223081      26.31898       6.546803      19.44700       5.336059      51.13520 6.401464 43.96984 6.067863 7.165359       8.820300 
1 1 1 12 16 21 o 92.65183 2.958954 86.14774       5.497586      89.90253       8.373900      82.46378       7.127024      94.63310 4.424403 90.67056 3.930176 3.962540       5.917908 
1 1 1 12 16 22 o 76.22408 3.514393 58.51812       5.398402      62.99553       8.579351      54.04070       6.559555      79.10364 5.422855 73.34453 4.471741 5.759109       7.028786 
1 1 1 12 16 23 f 187.4501 3.113675 353.0923       11.66112      339.7026       16.71238      366.5529       16.26605      183.8574 4.544929 191.0429 4.257174 -7.185425      6.227351 
1 1 1 12 16 24 o 162.9916 3.162711 267.1572       10.31506      268.7158       17.86716      265.6694       10.32214      163.2245 5.473185 162.7587 3.170995 0.4657745      6.325422 
1 1 1 12 16 25 o 154.6155 2.746912 240.1652       8.451830      233.2223       13.70146      247.1080       9.897071      152.2636 4.499255 156.9675 3.152587 -4.703827      5.493824 
1 1 1 12 16 26 o 56.71965 3.674224 32.85799       4.226623      39.85041       6.779883      25.86557       5.049844      62.80373 5.397676 50.63557 4.986459 12.16816       7.348447 
1 1 1 12 16 27 o 83.88902 3.109666 70.91602       5.229083      74.10406       7.885069      67.66422       6.871274      85.76945 4.596665 82.00860 4.189362 3.760849       6.219331 
1 1 1 12 16 28 o 141.4332 2.498111 200.9878       7.050512      197.5872       11.14395      204.4592       8.636027      140.1327 3.976213 142.7337 3.025223 -2.601074      4.996222 
1 1 1 12 16 29 o 69.44881 4.265031 49.08863       5.924782      49.18781       8.473083      48.98944       8.281801      69.50613 6.095206 69.39149 5.967447 0.1146317      8.530063 
1 1 1 12 16 30 o 28.48832 6.930247 7.665448       4.913113      10.24421       6.658030      5.083141       7.226208      31.14333 9.677871 25.83331 9.922305 5.310022       13.86049 
1 1 1 12 16 31 o 24.42172 7.800079 -4.898236      9.039845      -10.93850      16.89658      1.142024       6.427783      27.56158 12.78977 21.28185 8.932339 6.279734       15.60016 
1 1 1 12 16 32 o 35.19011 8.348665 10.76847       8.558097      7.374983       15.93308      14.16195       6.241460      34.38683 14.22455 35.99339 8.744318 -1.606560      16.69733 
1 1 1 12 16 33 o 33.63506 7.429843 4.368313       8.621859      -9.287803      15.99684      18.02301       6.434867      26.62642 12.38996 40.64371 8.203615 -14.01729      14.85969 
1 1 1 12 16 34 o 93.93999 2.947423 89.68999       5.550720      91.74451       8.961915      87.70633       6.556013      94.77754 4.727869 93.10242 3.520860 1.675117       5.894845 
1 1 1 12 16 35 o 18.95463 5.761930 0.3971581      3.943242      0.7105771      5.896444      0.8352646E-01  5.237584      19.71291 8.425159 18.19635 7.862319 1.516563       11.52386 
1 1 1 12 16 36 o 56.95076 3.715011 33.95610       4.242918      38.00135       6.389527      29.90375       5.584017      60.34034 5.294573 53.56119 5.212746 6.779152       7.430022 
1 1 1 12 16 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 16 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 16 39 o 70.39798 4.531178 55.06087       5.954537      49.74040       10.93141      60.38135       4.723957      64.13223 8.522556 76.66372 3.080960 -12.53149      9.062355 
1 1 1 12 16 40 o 29.22706 7.004052 13.09219       5.306304      17.64754       9.698705      8.536844       4.308804      32.52329 11.68112 25.93084 7.731655 6.592449       14.00810 
1 1 1 12 16 41 o 66.07704 4.084749 50.65430       5.321181      54.40910       9.996255      46.90659       3.659153      64.88103 7.703526 67.27305 2.719628 -2.392014      8.169497 
1 1 1 12 17 0  o 20.12827 11.36632 5.469956       6.913781      5.469956       6.913781      5.469956       6.913781      20.12827 11.36632 20.12827 11.36632 -0.000000      0.000000 
1 1 1 12 17 1  o 219.6120 2.534272 482.5265       11.12978      480.9679       15.67095      484.0851       15.81264      219.2576 3.573640 219.9663 3.594333 -0.7087708     5.068543 
1 1 1 12 17 2  o 200.1049 2.508367 400.7003       10.03876      410.0519       14.40991      391.2779       13.98484      202.4490 3.558899 197.7608 3.535796 4.688187       5.016734 
1 1 1 12 17 3  f 220.1324 2.519181 484.7935       11.09435      489.0443       15.74888      480.6137       15.62136      221.0894 3.561654 219.1754 3.563666 1.914001       5.038363 
1 1 1 12 17 4  f 244.3087 2.575392 597.1540       12.58210      592.6907       17.64045      601.6881       17.95217      243.3891 3.623919 245.2283 3.660298 -1.839127      5.150784 
1 1 1 12 17 5  o 249.3392 2.624435 622.0207       13.08510      619.4702       18.52601      624.6419       18.49059      248.8205 3.722766 249.8579 3.700222 -1.037338      5.248869 
1 1 1 12 17 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 17 7  o 281.8448 2.676765 794.8829       15.09002      795.5914       21.34565      794.1744       21.33148      281.9705 3.785087 281.7192 3.785948 0.2512512      5.353530 
1 1 1 12 17 8  o 174.2921 2.361159 303.9966       8.232210      298.3999       11.53359      309.5226       11.74613      172.6975 3.339247 175.8867 3.339118 -3.189163      4.722318 
1 1 1 12 17 9  o 143.5614 2.405152 206.2303       6.905988      210.1268       9.840395      202.3338       9.691620      144.9179 3.395162 142.2050 3.407624 2.712952       4.810304 
1 1 1 12 17 10 o 203.6861 2.380379 415.3653       9.698705      396.3788       13.29764      434.2810       14.13361      199.0375 3.340486 208.3346 3.392047 -9.297089      4.760759 
1 1 1 12 17 11 o 54.32764 4.045162 29.59912       4.389567      31.49068       6.225874      27.70755       6.189034      56.06824 5.552051 52.58705 5.884562 3.481190       8.090323 
1 1 1 12 17 12 o 141.3270 2.616524 200.5627       7.332476      222.5247       9.996255      178.5298       10.73304      149.1142 3.351880 133.5398 4.018668 15.57434       5.233048 
1 1 1 12 17 13 o 206.5050 2.585307 427.0547       10.65512      413.5233       15.92599      440.5861       14.15487      203.2144 3.918521 209.7956 3.373490 -6.581192      5.170613 
1 1 1 12 17 14 o 162.1810 2.547585 263.4024       8.281801      256.8846       10.54176      269.9201       12.77339      160.1913 3.290368 164.1708 3.890274 -3.979523      5.095169 
1 1 1 12 17 15 o 106.0715 2.598583 112.7147       5.513172      108.2514       7.622942      117.1779       7.970083      103.9710 3.665898 108.1721 3.683983 -4.201111      5.197166 
1 1 1 12 17 16 o 167.2503 2.495017 280.1927       8.331393      286.2145       11.10144      274.1000       12.43333      169.0746 3.283001 165.4261 3.757971 3.648483       4.990035 
1 1 1 12 17 17 o 64.01608 3.790163 41.13271       4.852895      40.92017       6.427074      41.33816       7.275800      63.86715 5.031597 64.16502 5.669600 -0.2978668     7.580326 
1 1 1 12 17 18 o 43.01522 6.037452 19.74455       5.258129      12.01534       6.017590      27.48084       8.621859      33.85376 8.805666 52.17668 8.262176 -18.32292      12.07490 
1 1 1 12 17 19 o 139.5855 2.625179 195.3201       7.332476      192.5572       10.20879      198.0123       10.52051      138.6132 3.682474 140.5579 3.742412 -1.944672      5.250358 
1 1 1 12 17 20 o 66.32442 4.040115 44.59704       5.149027      36.86783       8.395153      52.33333       5.962330      60.42942 6.946247 72.21943 4.127927 -11.79000      8.080231 
1 1 1 12 17 21 o 199.9968 2.929496 0.000000       0.000000      ?              ?             400.7712       11.71779      ?        ?        199.9968 2.929496 ?              ?        
1 1 1 12 17 22 o 21.69955 6.225595 1.695325       4.463954      6.395903       7.488335      -3.005253      4.856437      27.82197 10.23710 15.57714 7.087592 12.24483       12.45119 
1 1 1 12 17 23 o 107.5833 2.736516 116.8237       5.963747      133.8974       9.535762      99.82085       7.162447      115.4371 4.130285 99.72948 3.590938 15.70761       5.473033 
1 1 1 12 17 24 o 218.7867 2.888119 481.0388       12.63170      480.1178       20.46717      481.9598       14.80664      218.4074 4.685549 219.1660 3.377951 -0.7585907     5.776237 
1 1 1 12 17 25 o 190.0478 2.567479 363.1524       9.705790      338.9233       14.46659      387.4523       12.94341      183.6175 3.939326 196.4780 3.293859 -12.86043      5.134958 
1 1 1 12 17 26 o 93.48329 2.934374 87.98971       5.460038      83.45561       8.288886      92.45296       7.105771      91.03603 4.552530 95.93054 3.703602 -4.894508      5.868748 
1 1 1 12 17 27 o 137.2623 2.634021 189.5817       7.190785      179.0966       10.88890      200.0668       9.401155      133.3887 4.081645 141.1360 3.330530 -7.747330      5.268041 
1 1 1 12 17 28 o 143.0118 2.871827 206.0178       8.232210      209.6309       13.62353      202.4047       9.259464      144.0843 4.727623 141.9394 3.261767 2.144943       5.743653 
1 1 1 12 17 29 o 26.35752 7.030648 5.767506       5.127774      8.232210       8.104689      3.307053       6.283259      29.66120 10.67566 23.05384 9.151519 6.607363       14.06130 
1 1 1 12 17 30 o 118.2169 2.853118 141.0527       6.707621      136.3770       10.80389      145.7285       7.948828      116.0813 4.653586 120.3525 3.302313 -4.271141      5.706236 
1 1 1 12 17 31 o 67.17403 4.398637 46.55237       5.824182      53.82816       8.012589      39.27657       8.458915      72.63523 5.515635 61.71281 6.853451 10.92242       8.797274 
1 1 1 12 17 32 o 35.30687 6.070034 13.50309       5.005212      2.829556       6.461080      24.17237       7.644195      22.61996 9.162978 47.99378 7.963735 -25.37382      12.14007 
1 1 1 12 17 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 17 34 o 46.92493 7.707157 26.17729       7.318307      32.02911       12.42624      20.33257       7.736294      51.52994 12.22561 42.31993 9.388045 9.210003       15.41431 
1 1 1 12 17 35 o 62.23693 3.441327 40.25423       4.305970      45.63847       6.604896      34.86291       5.525924      66.37464 4.975467 58.09922 4.755592 8.275425       6.882654 
1 1 1 12 17 36 o 64.67090 3.656733 43.60521       4.718289      41.87658       6.919449      45.32674       6.416448      63.23479 5.471236 66.10701 4.853077 -2.872219      7.313466 
1 1 1 12 17 37 o 43.25121 4.686700 20.93475       4.057303      23.08844       5.999878      18.78814       5.463580      45.50148 6.593059 41.00095 6.662748 4.500523       9.373401 
1 1 1 12 17 38 o 53.02316 3.598480 30.08086       3.841226      33.58061       5.948870      26.57403       4.860687      55.97416 5.313943 50.07214 4.853684 5.902020       7.196960 
1 1 1 12 17 39 o 22.77897 6.615765 5.482708       5.310555      6.123857       9.649114      4.841560       4.439867      24.60080 10.65111 20.95713 7.850298 3.643669       13.23153 
1 1 1 12 17 40 o 16.52155 5.561977 -2.148026      4.975457      -1.095266      8.770633      -3.200785      4.703412      19.28094 9.035504 13.76215 6.488606 5.518792       11.12395 
1 1 1 12 18 0  o 47.75988 7.517770 24.08736       6.761464      24.08736       6.761464      24.08736       6.761464      47.75988 7.517770 47.75988 7.517770 -0.000000      0.000000 
1 1 1 12 18 1  o 79.37094 3.491386 63.06638       5.542927      63.03096       7.367898      63.10180       8.281801      79.35368 4.642443 79.38820 5.216015 -0.3452301E-01 6.982771 
1 1 1 12 18 2  o 314.2905 2.845787 988.9987       17.90258      945.0746       24.44867      1032.923       26.15604      307.3105 3.977845 321.2705 4.070719 -13.96005      5.691573 
1 1 1 12 18 3  o 221.3343 2.462462 490.1778       10.90307      484.5810       15.20337      495.7745       15.62845      220.0717 3.454187 222.5969 3.510481 -2.525238      4.924925 
1 1 1 12 18 4  o 213.3756 2.445619 455.6053       10.43549      445.1203       14.48075      466.0904       15.04043      210.9209 3.432745 215.8303 3.484318 -4.909424      4.891238 
1 1 1 12 18 5  o 79.15228 3.263503 62.74049       5.160363      65.34759       7.204955      60.13339       7.389152      80.80016 4.458503 77.50439 4.766925 3.295776       6.527007 
1 1 1 12 18 6  o 394.3152 3.280228 1556.469       25.86557      1540.883       36.31524      1572.054       36.85366      392.3419 4.628010 396.2886 4.649851 -3.946716      6.560456 
1 1 1 12 18 7  o 287.4949 2.700392 826.7632       15.52926      826.0548       21.93367      828.1802       21.98326      287.3103 3.817070 287.6794 3.820791 -0.3691711     5.400784 
1 1 1 12 18 8  o 25.12918 6.452689 4.522757       4.421447      0.5269464      6.100478      8.515590       6.402987      20.71000 8.697583 29.54835 9.534192 -8.838352      12.90538 
1 1 1 12 18 9  f 279.9145 2.666046 784.2562       14.92708      801.2590       21.42358      767.2533       20.79306      282.9482 3.785778 276.8808 3.754876 6.067413       5.332093 
1 1 1 12 18 10 o 39.67496 5.961410 16.23771       4.669405      19.85082       6.278300      12.61753       6.913073      44.47710 7.057902 34.87283 9.609351 9.604267       11.92282 
1 1 1 12 18 11 o 124.8459 2.757182 156.0719       6.888276      157.3471       10.59135      154.7967       8.813140      125.3418 4.224990 124.3501 3.543681 0.9916763      5.514364 
1 1 1 12 18 12 o 108.2384 2.617263 117.4613       5.664781      109.0307       7.807138      125.8919       8.210957      104.3475 3.740931 112.1293 3.661380 -7.781715      5.234526 
1 1 1 12 18 13 o 22.40060 6.359191 2.378273       4.355562      1.436740       5.781674      3.320513       6.514922      20.97794 8.608509 23.82327 9.362201 -2.845331      12.71838 
1 1 1 12 18 14 o 110.9854 2.929651 123.5540       6.504296      116.1152       8.947746      130.9219       9.443663      107.6557 4.155724 114.3150 4.130542 -6.659355      5.859302 
1 1 1 12 18 15 o 186.6016 2.692713 348.7708       10.04585      350.9670       14.19737      346.6454       14.22571      187.1809 3.792421 186.0223 3.823658 1.158615       5.385427 
1 1 1 12 18 16 o 47.83725 5.179617 23.57019       4.806137      19.22029       6.560972      27.91300       7.025717      42.99315 7.927789 52.68134 6.668126 -9.688190      10.35923 
1 1 1 12 18 17 o 165.9008 2.520561 276.0128       8.331393      258.2307       12.19245      293.7950       11.35648      160.5310 3.797539 171.2706 3.315361 -10.73962      5.041123 
1 1 1 12 18 18 o 204.7133 2.557060 419.9702       10.46383      415.8612       15.63553      424.1501       13.90691      203.6749 3.838355 205.7518 3.379535 -2.076874      5.114120 
1 1 1 12 18 19 o 145.1348 2.386061 211.1895       6.925824      204.0341       9.656199      218.3448       9.932493      142.6745 3.383996 147.5952 3.364776 -4.920670      4.772122 
1 1 1 12 18 20 o 130.7988 2.440085 171.7287       6.378191      182.7806       9.110690      160.6768       8.926493      135.0199 3.373831 126.5778 3.526091 8.442192       4.880169 
1 1 1 12 18 21 o 23.67070 5.636610 3.995668       3.752669      10.83931       5.911322      -2.849393      4.623356      32.13020 8.899715 15.21120 6.919576 16.91899       11.27322 
1 1 1 12 18 22 f 176.5664 2.557889 312.9231       9.046929      318.0240       14.16195      307.8223       11.26438      177.9377 3.979469 175.1950 3.214813 2.742691       5.115779 
1 1 1 12 18 23 o 29.92367 5.824239 8.487252       4.085641      3.059803       6.524132      13.91399       4.918780      23.39520 9.313223 36.45215 6.996494 -13.05695      11.64848 
1 1 1 12 18 24 o 100.7185 3.124893 102.0879       6.334976      105.4885       10.71888      98.75818       6.752253      102.2480 5.241605 99.18892 3.403734 3.059120       6.249786 
1 1 1 12 18 25 o 68.14178 3.839194 47.07662       5.092351      41.11854       8.274716      53.02761       5.940369      63.66930 6.498199 72.61427 4.090359 -8.944962      7.678388 
1 1 1 12 18 26 f 19.17072 5.874328 -2.657403      4.551095      -7.495420      7.240376      2.182740       5.513172      17.28043 8.119062 21.06100 8.491862 -3.780565      11.74866 
1 1 1 12 18 27 o 60.68503 4.763863 37.53378       5.750503      35.62095       8.742295      39.45368       7.474166      59.01864 7.406385 62.35143 5.993581 -3.332787      9.527726 
1 1 1 12 18 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 18 29 o 57.23866 4.652966 33.65146       5.318347      37.63296       7.750463      29.66996       7.282885      60.67480 6.386888 53.80251 6.768164 6.872284       9.305932 
1 1 1 12 18 30 o 90.37135 3.160109 82.67632       5.715789      83.80984       8.451830      81.61364       7.693786      90.92505 4.647691 89.81765 4.283003 1.107399       6.320218 
1 1 1 12 18 31 o 124.9793 2.642969 157.8430       6.623316      162.4480       10.40007      153.2381       8.210957      126.6715 4.105134 123.2870 3.330017 3.384491       5.285938 
1 1 1 12 18 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 18 33 f 45.39899 5.489190 22.37999       4.766464      26.92825       6.568765      17.82465       6.908113      50.82883 6.461653 39.96914 8.875351 10.85968       10.97838 
1 1 1 12 18 34 o 59.42677 6.598663 39.46076       7.204955      34.26073       12.46167      44.65372       7.233293      53.24372 11.99097 65.60983 5.512355 -12.36610      13.19733 
1 1 1 12 18 35 o 73.94826 5.247353 59.12739       7.729208      60.62931       13.44641      57.63256       7.637110      73.42211 9.156924 74.47441 5.127338 -1.052299      10.49471 
1 1 1 12 18 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 18 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 18 38 o 78.27479 2.874609 64.30617       4.501503      65.02171       6.548929      63.59063       6.176991      78.61861 4.164999 77.93097 3.963117 0.6876373      5.749219 
1 1 1 12 18 39 o 31.57887 5.170494 12.67420       3.285799      17.11619       5.072515      8.225125       4.178449      37.67365 6.994175 25.48410 7.616925 12.18955       10.34099 
1 1 1 12 18 40 o 48.31448 5.836286 32.84383       5.774590      45.29841       9.897071      20.38216       5.955954      57.42613 8.617220 39.20282 7.873529 18.22331       11.67257 
1 1 1 12 19 0  o 40.32745 9.098158 18.56144       6.390234      18.56144       6.390234      18.56144       6.390234      40.32745 9.098158 40.32745 9.098158 0.000000       0.000000 
1 1 1 12 19 1  o 174.2118 2.410372 303.6424       8.395153      300.1710       11.73196      307.1847       12.02243      173.2065 3.386698 175.2171 3.430723 -2.010574      4.820745 
1 1 1 12 19 2  o 163.7990 2.409880 268.5032       7.892153      275.8711       11.34940      261.1353       10.98100      166.0465 3.417536 161.5514 3.398609 4.495071       4.819761 
1 1 1 12 19 3  o 59.85944 4.137450 36.10979       4.915238      41.70655       7.018632      30.51302       6.884026      64.53340 5.437984 55.18549 6.237171 9.347916       8.274899 
1 1 1 12 19 4  o 113.6312 2.678720 129.2216       6.085601      127.3796       8.664365      131.0636       8.551013      112.8202 3.839901 114.4423 3.735951 -1.622101      5.357441 
1 1 1 12 19 5  o 349.5853 3.260917 1223.496       22.80506      1221.371       29.96043      1225.622       34.38116      349.3086 4.288532 349.8619 4.913534 -0.5532837     6.521834 
1 1 1 12 19 6  o 33.71107 6.417170 11.80281       4.422864      11.72488       6.324349      11.88782       6.185493      33.61690 9.159323 33.80525 8.990388 -0.1883469     12.83434 
1 1 1 12 19 7  o 134.7492 2.464474 182.0013       6.636068      196.3120       9.564099      167.6905       9.202788      140.0573 3.414353 129.4411 3.554816 10.61610       4.928947 
1 1 1 12 19 8  o 67.57520 3.554097 45.75890       4.804720      44.82375       6.643860      46.69405       6.942828      66.88618 4.966542 68.26420 5.085262 -1.378014      7.108194 
1 1 1 12 19 9  o 233.3604 2.506251 545.1537       11.69654      547.4915       16.58486      542.8866       16.49984      233.8531 3.545999 232.8678 3.542749 0.9853058      5.012502 
1 1 1 12 19 10 o 232.8123 2.874746 542.8866       13.38265      540.0528       18.92275      545.7205       18.93692      232.2039 4.074598 233.4208 4.056390 -1.216949      5.749491 
1 1 1 12 19 11 o 164.9392 2.726825 272.4706       8.990252      268.8575       12.72379      276.0836       12.71671      163.8438 3.882903 166.0345 3.829537 -2.190704      5.453650 
1 1 1 12 19 12 o 102.2291 3.487347 104.7800       7.127024      104.7092       11.12978      104.8509       8.912323      102.1654 5.446943 102.2928 4.356279 -0.1274872     6.974694 
1 1 1 12 19 13 o 40.31237 6.840106 17.08077       5.482000      16.31564       6.887568      17.84590       8.529759      39.43619 8.937549 41.18855 10.35705 -1.752354      13.68021 
1 1 1 12 19 14 f 105.7382 2.852990 112.1479       6.048761      119.3033       9.075267      104.9926       7.998421      109.1081 4.158842 102.3682 3.906691 6.739876       5.705980 
1 1 1 12 19 15 o 38.58978 5.751428 15.67804       4.312346      12.82298       5.960914      18.53310       6.232958      34.94421 8.580524 42.23533 7.660958 -7.291119      11.50286 
1 1 1 12 19 16 o 223.5169 2.469194 500.5212       11.03768      491.0988       15.40174      510.0144       15.81973      221.4067 3.478156 225.6271 3.505724 -4.220398      4.938388 
1 1 1 12 19 17 o 106.1699 2.659206 113.1397       5.641402      121.9245       8.118857      104.4258       7.835476      110.2856 3.680832 102.0542 3.838878 8.231377       5.318412 
1 1 1 12 19 18 o 146.5781 2.417337 215.5819       7.083809      227.4839       10.16628      203.6090       9.868733      150.6448 3.374257 142.5114 3.462435 8.133331       4.834673 
1 1 1 12 19 19 o 86.40364 2.930784 74.95419       5.064722      74.67081       7.141194      75.23758       7.183701      86.24068 4.140270 86.56660 4.149233 -0.3259201     5.861567 
1 1 1 12 19 20 o 192.9937 2.415289 373.5666       9.323226      379.3051       13.28347      367.7573       13.08510      194.4855 3.415028 191.5019 3.416442 2.983612       4.830578 
1 1 1 12 19 21 o 65.62770 3.669229 43.39976       4.815347      43.13763       7.010130      43.66188       6.602770      65.41299 5.358362 65.84241 5.014071 -0.4294205     7.338457 
1 1 1 12 19 22 o 82.23336 3.220387 68.03971       5.296385      67.62881       7.615856      68.45061       7.360813      81.97491 4.645236 82.49181 4.461543 -0.5168915     6.440775 
1 1 1 12 19 23 o 152.5533 2.894764 234.7101       8.983169      259.4350       15.04752      209.9143       9.826226      160.4948 4.687853 144.6118 3.397450 15.88298       5.789528 
1 1 1 12 19 24 o 146.1447 2.897791 214.9443       8.529759      225.5002       13.97067      204.3884       9.797889      149.6116 4.668981 142.6779 3.433568 6.933640       5.795582 
1 1 1 12 19 25 o 147.4070 2.980398 218.7699       8.784801      216.6445       12.34832      220.9661       12.50417      146.6805 4.209255 148.1335 4.220576 -1.453003      5.960796 
1 1 1 12 19 26 o 168.5071 2.752754 285.7895       9.245295      274.3125       14.00609      297.2664       12.06493      165.0260 4.243601 171.9883 3.507488 -6.962265      5.505508 
1 1 1 12 19 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 19 28 o 57.15194 4.498953 33.63020       5.194368      39.38284       8.182618      27.88466       6.398736      62.02708 6.596004 52.27681 6.120053 9.750275       8.997907 
1 1 1 12 19 29 o 70.78529 4.014939 51.56112       5.668323      41.68530       7.530843      61.44402       8.473083      63.88840 5.893748 77.68218 5.453685 -13.79378      8.029878 
1 1 1 12 19 30 o 37.27075 5.926074 14.94125       4.463954      10.29380       6.685660      19.58869       5.917697      30.99224 9.711411 43.54926 6.794257 -12.55702      11.85215 
1 1 1 12 19 31 o 49.23481 7.402274 29.47159       7.828392      47.48044       13.29056      11.45567       8.281801      65.97089 10.07305 32.49873 10.84935 33.47216       14.80455 
1 1 1 12 19 32 o 97.81935 2.936240 97.27043       5.727833      94.93254       8.820225      99.60831       7.311223      96.47588 4.571208 99.16283 3.686473 -2.686958      5.872480 
1 1 1 12 19 33 o 110.9075 2.712041 125.1126       6.022548      127.1671       9.316141      123.0581       7.637110      111.6478 4.172110 110.1672 3.466145 1.480629       5.424081 
1 1 1 12 19 34 o 56.14780 3.935788 33.10595       4.438450      35.58553       6.791219      30.62637       5.715789      58.12159 5.842251 54.17402 5.275397 3.947575       7.871576 
1 1 1 12 19 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 19 36 o 24.92972 7.258651 5.652737       6.151486      13.63770       10.54885      -2.332223      6.335684      32.29473 12.09986 17.56471 8.021559 14.73002       14.51730 
1 1 1 12 19 37 o 41.45325 5.115493 19.73747       4.109729      21.74947       5.657696      17.72546       5.961622      44.35700 6.377456 38.54950 8.000072 5.807499       10.23099 
1 1 1 12 19 38 o 14.48125 4.773976 -2.478164      3.380023      -2.144484      5.245378      -2.812554      4.264171      15.48134 7.161764 13.48116 6.314471 2.000185       9.547953 
1 1 1 12 19 39 o 22.84207 5.653277 6.612689       3.357353      9.634944       4.828099      3.590434       4.665863      26.69789 8.230188 18.98624 7.752558 7.711649       11.30655 
1 1 1 12 20 0  o 119.6849 3.796758 143.7449       9.068183      143.7449       9.068183      143.7449       9.068183      119.6849 3.796758 119.6849 3.796758 0.000000       0.000000 
1 1 1 12 20 1  o 32.56907 6.706860 10.87473       4.641777      9.847479       6.415030      11.90907       6.710455      31.20464 9.460326 33.93349 9.509475 -2.728846      13.41372 
1 1 1 12 20 2  o 139.7719 2.528310 195.6744       7.064682      204.6717       10.13086      186.6062       9.854564      143.0015 3.542223 136.5424 3.608610 6.459076       5.056620 
1 1 1 12 20 3  o 103.8254 2.830950 107.9680       5.877316      112.3605       8.359732      103.5757       8.260548      105.9400 3.945504 101.7108 4.060800 4.229111       5.661899 
1 1 1 12 20 4  o 124.9441 2.763910 156.4261       6.930075      165.3526       10.52051      147.4997       9.018591      128.5047 4.093432 121.3835 3.714918 7.121269       5.527821 
1 1 1 12 20 5  o 145.9659 2.486909 213.3857       7.261631      204.1758       10.11669      222.5956       10.41424      142.8134 3.541927 149.1185 3.491935 -6.305115      4.973817 
1 1 1 12 20 6  o 112.1929 3.062299 126.1753       6.869148      119.5867       9.599521      132.7639       9.826226      109.2588 4.393019 115.1269 4.267564 -5.868042      6.124599 
1 1 1 12 20 7  o 155.0267 2.789710 240.6611       8.650196      242.5030       12.16412      238.8899       12.29872      155.6107 3.908510 154.4428 3.981643 1.167862       5.579421 
1 1 1 12 20 8  o 92.18529 3.376273 85.22675       6.223041      87.63548       8.749379      82.74717       8.848563      93.51215 4.678205 90.85844 4.869423 2.653709       6.752546 
1 1 1 12 20 9  o 28.56771 6.687788 6.249961       5.156821      -2.167154      6.728167      14.66495       7.814223      19.65883 8.690165 37.47659 10.16794 -17.81776      13.37558 
1 1 1 12 20 10 o 56.05121 5.955247 32.57461       6.115356      25.39800       10.09544      39.74414       6.908113      49.16230 10.57088 62.94012 5.487846 -13.77782      11.91049 
1 1 1 12 20 11 o 44.35577 5.323790 20.77181       4.486625      13.51726       6.172740      28.01927       6.512797      35.89457 8.680917 52.81697 6.165440 -16.92241      10.64758 
1 1 1 12 20 12 o 306.0726 2.848687 938.6987       17.44208      933.0310       24.58328      944.3662       24.73914      305.1487 4.028082 306.9965 4.029222 -1.847809      5.697374 
1 1 1 12 20 13 o 174.7623 2.462366 305.9095       8.607689      304.8468       12.03660      306.9722       12.30581      174.4614 3.449644 175.0633 3.514674 -0.6018677     4.924731 
1 1 1 12 20 14 o 234.9487 2.536298 553.3008       11.92324      530.3470       16.30148      576.1838       17.41375      230.0857 3.542479 239.8117 3.630712 -9.726013      5.072596 
1 1 1 12 20 15 o 29.85153 6.406388 9.068183       4.171364      9.982086       5.827724      8.147196       5.970123      31.03156 8.915953 28.67150 9.201796 2.360062       12.81278 
1 1 1 12 20 16 o 228.9238 2.511601 525.3879       11.49817      522.3415       16.13853      528.3633       16.38649      228.2704 3.534959 229.5771 3.568842 -1.306671      5.023203 
1 1 1 12 20 17 f 59.54655 3.995446 36.21606       4.680032      44.78124       6.763589      27.65087       6.470290      66.72955 5.067912 52.36356 6.178238 14.36599       7.990892 
1 1 1 12 20 18 o 34.92608 6.280704 12.90091       4.398777      12.75213       6.202496      13.04968       6.238626      34.72896 8.891536 35.12320 8.872966 -0.3942375     12.56141 
1 1 1 12 20 19 f 76.43942 3.658905 58.83692       5.605271      56.51320       7.410406      61.16772       8.409323      74.94908 4.943626 77.92976 5.395451 -2.980675      7.317809 
1 1 1 12 20 20 o 70.85570 3.915914 50.67556       5.532300      52.66631       7.389152      48.67772       8.239295      72.29712 5.110267 69.41427 5.934871 2.882851       7.831828 
1 1 1 12 20 21 o 188.1392 2.787584 355.6428       10.48509      361.3104       14.52326      349.9043       15.12545      189.6723 3.828514 186.6060 4.052775 3.066269       5.575168 
1 1 1 12 20 22 o 147.1411 2.982264 217.8489       8.777717      221.9579       12.64586      213.6691       12.17829      148.5329 4.256924 145.7492 4.177822 2.783646       5.964528 
1 1 1 12 20 23 o 26.33379 6.419549 5.650611       4.512129      -0.1081097     5.960205      11.40607       6.776341      19.73221 8.453186 32.93538 9.663649 -13.20317      12.83910 
1 1 1 12 20 24 o 55.77191 4.876227 31.98660       5.267339      25.58219       8.005506      38.39100       6.847895      49.95486 8.012739 61.58896 5.559352 -11.63410      9.752455 
1 1 1 12 20 25 o 94.11310 3.534346 89.61916       6.731709      95.99522       11.21479      83.17223       7.445828      97.33228 5.761086 90.89391 4.095889 6.438370       7.068693 
1 1 1 12 20 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 20 27 o 24.10061 6.792211 3.615229       4.995294      6.022548       8.012589      1.207910       5.964456      27.49898 10.48118 20.70224 8.641843 6.796745       13.58442 
1 1 1 12 20 28 o 73.06158 3.639236 54.33117       5.360146      59.03529       8.487252      49.62704       6.551762      76.13239 5.574009 69.99079 4.680446 6.141594       7.278472 
1 1 1 12 20 29 o 45.30211 5.487086 21.77072       4.762921      19.38324       7.467082      24.15112       5.911322      42.08348 9.128285 48.52074 6.091541 -6.437260      10.97417 
1 1 1 12 20 30 o 75.04362 3.591827 57.52628       5.376441      56.54862       8.359732      58.50395       6.767131      74.22514 5.631334 75.86211 4.460153 -1.636963      7.183654 
1 1 1 12 20 31 o 19.94781 6.121408 -0.1662028     4.561012      1.803718       6.921574      -2.135982      5.941077      22.12466 9.276801 17.77095 7.989210 4.353706       12.24282 
1 1 1 12 20 32 o 31.14688 6.635637 10.85348       4.515672      9.953747       6.801137      11.75322       5.941077      30.01456 9.831791 32.27920 8.914181 -2.264641      13.27127 
1 1 1 12 20 33 o 46.55396 4.840246 23.18054       4.510004      23.64812       6.801137      22.70588       5.925491      46.83880 7.260153 46.26913 6.403288 0.5696716      9.680492 
1 1 1 12 20 34 o 42.09093 5.720890 19.99959       4.628315      15.20337       6.979667      24.80290       6.080641      35.84939 9.557448 48.33248 6.290430 -12.48309      11.44178 
1 1 1 12 20 35 o 22.26892 6.385917 5.032842       4.463954      3.396318       6.169907      6.669365       6.452579      20.69785 8.722239 23.83998 9.329646 -3.142134      12.77183 
1 1 1 12 20 36 o 35.39730 7.104896 16.94617       5.615189      21.50859       10.07418      12.38374       4.965539      38.61743 11.88521 32.17717 7.788443 6.440262       14.20979 
1 1 1 12 20 37 o 27.42969 7.218289 10.75430       5.565597      17.88841       9.493254      3.627982       5.812847      34.19549 11.61582 20.66389 8.572492 13.53160       14.43658 
1 1 1 12 20 38 o 40.21305 5.171858 19.87916       4.005587      19.66662       5.633609      20.09878       5.696661      39.99070 7.315854 40.43541 7.312370 -0.4447060     10.34372 
1 1 1 12 21 0  o 31.90532 11.26816 13.43225       6.519173      13.43225       6.519173      13.43225       6.519173      31.90532 11.26816 31.90532 11.26816 -0.000000      0.000000 
1 1 1 12 21 1  o 106.5541 3.003401 113.7774       6.393069      112.1479       9.585353      115.3360       8.465999      105.7946 4.530172 107.3136 3.944515 -1.518974      6.006801 
1 1 1 12 21 2  o 331.4683 3.440081 1100.934       22.80506      1113.686       32.71630      1088.890       31.78823      333.3274 4.907533 329.6092 4.822110 3.718231       6.880161 
1 1 1 12 21 3  o 189.7590 2.874006 360.6728       10.90307      353.4466       15.42300      367.9698       15.42300      187.8456 4.105232 191.6723 4.023271 -3.826752      5.748012 
1 1 1 12 21 4  o 213.6111 2.884828 457.1639       12.32706      443.2074       17.25788      471.1205       17.59794      210.3478 4.102227 216.8744 4.057173 -6.526657      5.769656 
1 1 1 12 21 5  o 71.80515 4.030041 51.80908       5.781674      55.84017       8.310139      47.77798       8.040927      74.60819 5.569187 69.00209 5.826583 5.606102       8.060081 
1 1 1 12 21 6  o 198.8387 2.856424 396.0245       11.35648      391.2071       16.01810      400.9128       16.11019      197.6194 4.052764 200.0581 4.026380 -2.438675      5.712848 
1 1 1 12 21 7  o 44.12321 5.351616 20.31131       4.527715      14.67204       6.267673      25.95059       6.535468      37.41877 8.557249 50.82764 6.429049 -13.40887      10.70323 
1 1 1 12 21 8  o 228.2014 2.544308 521.4914       11.61152      521.7747       16.32273      521.2788       16.52110      228.2578 3.575504 228.1451 3.620744 0.1127167      5.088616 
1 1 1 12 21 9  o 92.18982 3.183306 85.22675       5.883692      82.03871       7.672533      88.41478       8.919409      90.47761 4.240017 93.90204 4.749315 -3.424431      6.366612 
1 1 1 12 21 10 o 236.5924 2.814278 560.8813       13.31889      561.8023       20.32548      559.9603       17.21538      236.7480 4.292641 236.4367 3.640589 0.3112640      5.628557 
1 1 1 12 21 11 o 98.99347 2.878480 98.54564       5.688868      87.70633       7.821308      109.3141       8.267632      93.54265 4.180611 104.4443 3.957915 -10.90164      5.756961 
1 1 1 12 21 12 o 63.20546 3.844313 40.14796       4.852186      42.47168       6.832309      37.83133       6.891819      65.04205 5.252225 61.36888 5.615077 3.673168       7.688625 
1 1 1 12 21 13 o 154.8462 2.465489 240.2360       7.637110      245.6911       10.83223      234.8518       10.76138      156.5952 3.458671 153.0972 3.514560 3.498047       4.930977 
1 1 1 12 21 14 o 122.4885 2.731782 150.4752       6.702662      156.4261       9.982086      144.5950       8.947746      124.8846 3.996525 120.0924 3.725360 4.792213       5.463563 
1 1 1 12 21 15 o 213.0684 2.855690 455.6053       12.16412      461.3438       16.86824      449.7960       17.53418      214.4376 3.933134 211.6992 4.141295 2.738388       5.711380 
1 1 1 12 21 16 o 53.90829 4.912302 29.38658       5.288592      29.90375       6.995961      28.86941       7.934660      54.42548 6.427102 53.39111 7.430694 1.034367       9.824604 
1 1 1 12 21 17 o 67.66204 4.270390 46.65864       5.613063      56.26524       7.445828      37.05911       8.402238      74.79148 4.977725 60.53260 6.940259 14.25888       8.540780 
1 1 1 12 21 18 o 65.54690 4.128852 43.35017       5.411155      43.29349       6.816014      43.40684       8.409323      65.56465 5.197934 65.52914 6.416475 0.3550720E-01  8.257704 
1 1 1 12 21 19 o 120.4785 2.954645 145.9411       7.119940      146.2953       8.969000      145.5160       11.05185      120.7047 3.715266 120.2524 4.595271 0.4522934      5.909291 
1 1 1 12 21 20 o 87.55890 3.086068 77.15040       5.397694      81.33026       7.559181      72.97054       7.700871      89.95032 4.201864 85.16747 4.521017 4.782845       6.172135 
1 1 1 12 21 21 o 48.03101 4.857008 23.62687       4.655945      19.53910       6.218790      27.71463       6.931493      43.81838 7.096098 52.24364 6.633815 -8.425262      9.714016 
1 1 1 12 21 22 o 94.90616 3.228588 90.68183       6.123857      88.62732       8.791886      92.80718       8.529759      93.79501 4.686756 96.01730 4.441783 -2.222282      6.457176 
1 1 1 12 21 23 o 98.00687 3.341956 96.91621       6.564514      94.50746       8.274716      99.32494       10.19462      96.86717 4.271167 99.14657 5.141187 -2.279396      6.683912 
1 1 1 12 21 24 o 162.0428 2.900527 264.3942       9.415324      258.7974       11.87365      269.9910       14.62245      160.4292 3.700589 163.6564 4.467422 -3.227203      5.801054 
1 1 1 12 21 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 21 26 o 44.50256 6.390530 21.06227       5.580475      19.48951       8.919409      22.63503       6.706204      42.07798 10.59715 46.92714 7.145338 -4.849152      12.78106 
1 1 1 12 21 27 o 103.4691 3.052283 108.2514       6.272632      103.1506       9.840395      113.4231       7.785885      100.8581 4.878337 106.0801 3.669816 -5.221954      6.104565 
1 1 1 12 21 28 o 48.29150 5.200674 24.90916       4.979708      31.49777       7.962997      18.32765       5.977916      55.14259 7.220371 41.44040 7.486940 13.70219       10.40135 
1 1 1 12 21 29 o 35.36487 6.329123 14.25405       4.804011      21.99743       7.615856      6.512089       5.858188      44.87240 8.799824 25.85734 9.099135 19.01506       12.65825 
1 1 1 12 21 30 o 33.61174 11.52790 12.48292       9.351563      12.48292       9.351563      ?              ?             33.61174 11.52790 ?        ?        ?              ?        
1 1 1 12 21 31 o 76.80582 3.597881 60.74974       5.464289      56.77533       8.628942      64.72416       6.710455      73.94965 5.834336 79.66197 4.211831 -5.712318      7.195763 
1 1 1 12 21 32 o 101.5449 2.948786 105.5593       5.960205      101.8754       9.231127      109.2433       7.545012      99.49547 4.638968 103.5944 3.641611 -4.098938      5.897573 
1 1 1 12 21 33 o 35.72763 6.483125 14.83498       4.664447      15.87640       6.863481      13.78647       6.317973      36.93912 9.291721 34.51614 9.043649 2.422977       12.96625 
1 1 1 12 21 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 21 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 21 36 o 67.71626 3.351043 48.97527       4.556053      51.77366       7.054762      46.17689       5.767506      69.32835 5.087935 66.10418 4.362437 3.224167       6.702085 
1 1 1 12 21 37 o 39.89030 4.949299 19.29823       3.904278      24.00943       6.156446      14.57994       4.802595      45.20736 6.809120 34.57324 7.184577 10.63412       9.898599 
1 1 1 12 21 38 o 29.06126 6.779605 12.68129       5.404070      9.734127       9.146112      15.63553       5.759713      24.64029 10.51084 33.48224 8.565886 -8.841948      13.55921 
1 1 1 12 22 0  o 180.3324 4.978051 326.3837       17.92383      326.3837       17.92383      326.3837       17.92383      180.3324 4.978051 180.3324 4.978051 -0.000000      0.000000 
1 1 1 12 22 1  o 194.8908 3.572155 381.0054       13.92816      370.4494       19.38324      391.4904       19.99959      192.2003 5.042458 197.5813 5.061106 -5.380936      7.144310 
1 1 1 12 22 2  o 241.5999 3.382512 585.2520       16.30856      596.8707       20.89933      573.6334       25.05086      244.0595 4.281604 239.1402 5.237691 4.919296       6.765024 
1 1 1 12 22 3  o 221.0135 2.779037 489.3277       12.27747      491.1696       15.96850      487.4857       18.66062      221.4602 3.605277 220.5669 4.230150 0.8932800      5.558074 
1 1 1 12 22 4  o 250.6505 2.640012 629.5302       13.24096      653.1216       19.12820      605.8679       18.30639      255.3547 3.745418 245.9462 3.721625 9.408432       5.280024 
1 1 1 12 22 5  o 230.4319 2.575194 531.8348       11.86657      535.2354       16.71238      528.4341       16.85407      231.1714 3.614716 229.6925 3.668833 1.478821       5.150389 
1 1 1 12 22 6  o 132.9728 2.591044 177.1129       6.888985      178.5298       9.741212      175.6960       9.748297      133.5057 3.648239 132.4400 3.680271 1.065720       5.182088 
1 1 1 12 22 7  o 80.11956 3.364027 64.37701       5.390610      64.72416       7.587519      64.02987       7.658363      80.33727 4.722291 79.90185 4.792357 0.4354248      6.728055 
1 1 1 12 22 8  o 64.32197 3.886131 41.62154       4.987500      45.26299       7.112856      37.97301       6.995961      67.15324 5.295989 61.49070 5.688633 5.662533       7.772262 
1 1 1 12 22 9  o 285.9829 2.789081 819.6788       15.95433      806.9266       22.34457      832.4308       22.77672      283.7593 3.937239 288.2065 3.951459 -4.447205      5.578161 
1 1 1 12 22 10 o 64.33926 3.866466 41.91201       4.917363      49.37909       6.971166      34.44493       6.936451      70.14146 4.969362 58.53707 5.924837 11.60439       7.732933 
1 1 1 12 22 11 o 76.72436 4.334947 59.55246       6.594269      50.79599       9.344479      68.30892       9.309056      71.01702 6.579042 82.43169 5.646528 -11.41467      8.669894 
1 1 1 12 22 12 o 137.6618 3.425948 190.3610       9.457831      187.1729       11.03059      193.5490       15.35923      136.6016 4.037506 138.7220 5.535975 -2.120453      6.851895 
1 1 1 12 22 13 o 115.2814 3.154375 133.5432       7.247461      140.4860       9.826226      126.6003       10.66220      118.3122 4.152667 112.2507 4.749282 6.061592       6.308750 
1 1 1 12 22 14 o 54.36908 5.147895 30.01710       5.523799      33.55936       7.318307      26.47484       8.281801      57.66611 6.345414 51.07204 8.107961 6.594074       10.29579 
1 1 1 12 22 15 o 20.42440 6.140899 -2.534132      4.887609      3.452286       6.057971      -8.522675      7.672533      23.22393 9.049818 17.62487 8.303213 5.599056       12.28180 
1 1 1 12 22 16 o 85.61790 3.181495 73.74983       5.439492      78.56730       7.722124      68.93236       7.665448      88.42969 4.366251 82.80613 4.628551 5.623558       6.362989 
1 1 1 12 22 17 o 127.8369 2.656476 164.2191       6.778466      173.7124       9.521592      154.7259       9.656199      131.5535 3.618904 124.1202 3.889857 7.433296       5.312952 
1 1 1 12 22 18 o 104.4049 2.992963 109.5975       6.242169      105.0634       8.933578      114.2024       8.721042      102.2099 4.370213 106.6000 4.090545 -4.390114      5.985927 
1 1 1 12 22 19 o 41.48184 5.966188 18.18596       4.788426      18.41266       6.426365      17.95217       7.098687      41.85180 7.964458 41.11188 8.885325 0.7399216      11.93238 
1 1 1 12 22 20 o 71.61806 3.660938 51.81617       5.250336      49.46410       7.141194      54.16114       7.693786      70.00417 5.100550 73.23196 5.253025 -3.227798      7.321877 
1 1 1 12 22 21 o 92.27316 3.235385 85.79351       5.971540      85.58098       8.210957      85.93520       8.671450      92.19534 4.453021 92.35098 4.694834 -0.1556320     6.470770 
1 1 1 12 22 22 o 249.9152 2.925049 628.8926       14.60119      613.2358       21.29606      644.5494       19.99251      246.7296 4.315668 253.1008 3.949515 -6.371231      5.850099 
1 1 1 12 22 23 o 20.39651 6.535883 -3.893651      5.735625      -6.244294      7.071766      -1.542299      9.032760      17.60793 8.210602 23.18509 10.17139 -5.577158      13.07177 
1 1 1 12 22 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 22 25 o 103.2615 3.342613 108.0389       6.915907      102.3004       9.245295      113.7065       10.28672      100.5671 4.596583 105.9559 4.854244 -5.388878      6.685227 
1 1 1 12 22 26 o 70.39406 3.510829 50.29299       4.946410      52.14205       7.254546      48.44393       6.728167      71.66879 5.061162 69.11933 4.867065 2.549454       7.021658 
1 1 1 12 22 27 o 21.01228 6.380241 0.1898651      4.856437      -0.4130983     7.587519      0.7927576      6.061513      21.64842 9.409909 20.37613 8.618788 1.272289       12.76048 
1 1 1 12 22 28 o 116.3092 2.948504 137.5105       6.762172      123.4123       10.40716      151.5378       8.643111      110.1206 4.725345 122.4978 3.527864 -12.37720      5.897009 
1 1 1 12 22 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 22 30 o 57.30597 4.545406 34.66455       4.996710      27.02743       7.658363      42.30166       6.417865      50.43608 7.592148 64.17587 5.000217 -13.73978      9.090813 
1 1 1 12 22 31 o 21.50293 6.373111 1.972330       4.658779      4.531966       7.311223      -0.5867397     5.778841      24.55174 9.828792 18.45411 8.115481 6.097628       12.74622 
1 1 1 12 22 32 o 23.63192 6.534046 3.848310       4.768589      0.7003046      7.481250      6.995961       5.916281      21.49497 9.343504 25.76888 9.136408 -4.273903      13.06809 
1 1 1 12 22 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 22 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 22 35 o 23.11566 6.156224 5.712247       3.965205      3.756212       5.673990      7.665448       5.540801      21.00096 8.557857 25.23036 8.852089 -4.229399      12.31245 
1 1 1 12 22 36 o 45.12280 4.469029 23.37891       4.050928      27.25414       6.210288      19.50368       5.202161      48.85769 6.355486 41.38791 6.284639 7.469784       8.938059 
1 1 1 12 22 37 o 22.33413 5.936218 6.469582       3.603186      6.913073       5.394152      6.025383       4.779924      22.86845 8.633717 21.79980 8.149458 1.068651       11.87244 
1 1 1 12 23 0  o 432.2651 5.083076 1872.438       43.93110      1872.438       43.93110      1872.438       43.93110      432.2651 5.083076 432.2651 5.083076 -0.000000      0.000000 
1 1 1 12 23 1  o 88.03794 3.227981 77.71716       5.683200      77.50462       8.111773      77.92970       7.962997      87.91502 4.613417 88.16086 4.516175 -0.2458344     6.455963 
1 1 1 12 23 2  f 96.87894 3.303280 94.22409       6.426365      101.3794       9.819141      87.13957       8.295970      100.5303 4.883675 93.22763 4.449309 7.302628       6.606559 
1 1 1 12 23 3  o 125.6296 3.086142 158.4098       7.743378      169.1783       10.98100      147.6413       10.91724      129.9145 4.226242 121.3447 4.498440 8.569756       6.172284 
1 1 1 12 23 4  o 184.6139 2.921492 341.6154       10.78972      344.2367       15.11128      338.9942       15.39466      185.3278 4.076906 183.9000 4.185606 1.427795       5.842984 
1 1 1 12 23 5  o 159.0015 2.954276 253.4841       9.394071      258.0181       13.23388      248.8791       13.33306      160.4398 4.124249 157.5631 4.231024 2.876770       5.908553 
1 1 1 12 23 6  f 34.17033 6.701097 11.51234       5.269464      19.40449       7.403321      3.620897       7.502505      43.02257 8.905069 25.31808 10.01592 17.70449       13.40219 
1 1 1 12 23 7  o 68.01215 5.053648 46.77198       6.998086      41.50111       7.693786      52.04287       11.68946      64.24582 5.987772 71.77849 8.142729 -7.532669      10.10730 
1 1 1 12 23 8  o 110.5044 4.498281 122.9872       9.847479      126.8837       9.677451      119.0199       17.15162      112.4708 4.302205 108.5379 7.901211 3.932922       8.996561 
1 1 1 12 23 9  o 51.17049 6.605164 27.06994       6.589310      26.23397       10.01751      27.90592       8.565183      49.83170 10.39204 52.50927 8.155877 -2.677563      13.21033 
1 1 1 12 23 10 o 135.7884 3.028982 185.1185       8.218040      189.1566       11.27855      181.0094       11.95867      137.3029 4.107180 134.2738 4.453088 3.029037       6.057963 
1 1 1 12 23 11 o 91.93977 3.716497 85.36844       6.796178      96.06606       9.670367      74.67081       9.557014      97.75429 4.946262 86.12525 5.548323 11.62904       7.432994 
1 1 1 12 23 12 o 160.8231 2.563694 259.5059       8.246379      268.7866       11.70362      250.2252       11.61152      163.7066 3.574574 157.9396 3.675938 5.766937       5.127387 
1 1 1 12 23 13 o 143.3973 2.642664 206.4428       7.573349      217.2113       10.72596      195.6744       10.69054      147.1513 3.644535 139.6433 3.827801 7.507965       5.285328 
1 1 1 12 23 14 o 87.99010 3.203730 77.85885       5.638568      75.87518       7.835476      79.77167       8.111773      86.89066 4.508814 89.08952 4.552597 -2.198860      6.407460 
1 1 1 12 23 15 o 123.8719 2.734969 154.1591       6.777050      147.2163       9.386987      161.1019       9.776634      121.0800 3.876358 126.6639 3.859284 -5.583878      5.469938 
1 1 1 12 23 16 o 107.7320 2.900955 116.6112       6.249253      117.2488       8.713958      116.0444       8.961915      108.0191 4.033528 107.4449 4.170471 0.5741653      5.801911 
1 1 1 12 23 17 o 90.54062 3.271226 82.53463       5.924782      80.90520       8.168448      84.09322       8.586436      89.67454 4.554498 91.40670 4.696831 -1.732162      6.542451 
1 1 1 12 23 18 o 207.4383 2.581342 432.3681       10.71179      417.8448       14.79247      446.8914       15.50093      203.9595 3.626326 210.9170 3.674650 -6.957504      5.162683 
1 1 1 12 23 19 o 65.67013 4.001792 43.92401       5.239709      36.42859       7.059014      51.41235       7.743378      59.99920 5.882590 71.34106 5.427014 -11.34186      8.003584 
1 1 1 12 23 20 o 31.23560 6.876328 9.960832       4.827391      11.81698       6.529091      8.097604       7.112856      33.35356 9.390832 29.11764 10.04728 4.235926       13.75266 
1 1 1 12 23 21 o 128.6987 2.915163 166.9821       7.488335      179.8759       10.59135      154.0883       10.58427      133.7077 3.960637 123.6897 4.278557 10.01804       5.830326 
1 1 1 12 23 22 o 145.1020 3.140508 212.5355       9.117774      224.2959       13.29764      200.7752       12.48292      149.1146 4.458865 141.0894 4.423764 8.025284       6.281016 
1 1 1 12 23 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 23 24 o 48.49956 6.146775 25.21380       5.844018      19.19904       7.566265      31.22855       8.905238      42.08849 9.240019 54.91063 8.108849 -12.82214      12.29355 
1 1 1 12 23 25 o 29.86621 7.140824 8.600604       5.258838      11.49817       6.903862      5.703037       7.934660      32.69502 9.794574 27.03739 10.39384 5.657625       14.28165 
1 1 1 12 23 26 o 55.36806 5.028916 31.97243       5.435242      37.87383       7.297054      26.07102       8.062181      60.78906 6.001946 49.94706 8.070727 10.84201       10.05783 
1 1 1 12 23 27 o 42.43748 5.516181 19.29114       4.527715      16.15270       6.613398      22.42958       6.185493      38.32740 8.807193 46.54755 6.644273 -8.220146      11.03236 
1 1 1 12 23 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 23 29 o 29.22744 6.210645 8.430575       4.842976      19.07861       7.743378      -2.210370      5.817098      40.98458 9.604338 17.47031 7.876875 23.51427       12.42129 
1 1 1 12 23 30 o 46.49035 5.958861 24.89499       5.134150      12.64586       7.920490      37.14413       6.531217      33.12619 10.59552 59.85450 5.455912 -26.72830      11.91772 
1 1 1 12 23 31 o 22.19436 6.368919 2.211078       4.715455      -1.762628      7.162447      6.184784       6.135192      19.45071 8.756681 24.93801 9.250570 -5.487295      12.73784 
1 1 1 12 23 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 23 33 o 42.57598 5.909818 21.34565       4.867064      22.61378       7.410406      20.08461       6.310889      43.51006 8.823365 41.64190 7.864607 1.868156       11.81964 
1 1 1 12 23 34 o 57.16589 4.100132 35.53594       4.654528      32.62420       6.829475      38.45476       6.326474      54.43003 6.273628 59.90174 5.280710 -5.471710      8.200263 
1 1 1 12 23 35 o 50.65159 4.291182 28.81982       4.359104      30.45634       6.626149      27.18330       5.665489      51.78378 6.397900 49.51939 5.720476 2.264393       8.582364 
1 1 1 12 23 36 o 36.45756 5.932619 17.67587       4.285425      14.17612       6.151486      21.17562       5.967289      31.73147 9.174380 41.18365 7.524269 -9.452181      11.86524 
1 1 1 12 24 0  o 152.6863 3.677230 233.7891       11.21479      233.7891       11.21479      233.7891       11.21479      152.6863 3.677230 152.6863 3.677230 0.000000       0.000000 
1 1 1 12 24 1  o 159.4410 2.574091 254.7593       8.210957      255.5385       11.73196      253.9799       11.48400      159.6818 3.673544 159.2003 3.606778 0.4814758      5.148182 
1 1 1 12 24 2  o 164.7232 2.544918 271.9746       8.380984      280.0510       11.97283      263.8983       11.73905      167.1713 3.581008 162.2752 3.617018 4.896072       5.089837 
1 1 1 12 24 3  o 57.96338 4.840312 33.98443       5.666906      29.97460       6.920866      37.99427       8.976085      54.56396 6.341975 61.36279 7.313948 -6.798828      9.680624 
1 1 1 12 24 4  o 107.9796 3.291528 117.0362       7.119940      113.2814       9.422408      120.8619       10.67637      106.2502 4.434066 109.7090 4.865766 -3.458824      6.583055 
1 1 1 12 24 5  o 84.64143 3.749869 72.04955       6.347728      72.04955       8.331393      71.97870       9.578268      84.69284 4.918593 84.59003 5.661582 0.1028137      7.499739 
1 1 1 12 24 6  o 31.81239 7.247839 9.358648       5.645652      3.094517       7.800055      15.61428       8.168448      25.16565 10.11978 38.45913 10.37857 -13.29348      14.49568 
1 1 1 12 24 7  o 171.6331 3.234588 296.0620       11.07310      278.9883       15.98267      313.2065       15.33798      166.6337 4.795750 176.6325 4.341777 -9.998825      6.469176 
1 1 1 12 24 8  o 196.1233 3.009836 386.1771       11.80281      390.6403       16.46442      381.7138       16.91783      197.2717 4.173032 194.9749 4.338463 2.296783       6.019672 
1 1 1 12 24 9  o 144.6754 3.098476 210.3393       8.961915      221.5329       12.77339      199.2166       12.56793      148.5265 4.300035 140.8243 4.462276 7.702240       6.196952 
1 1 1 12 24 10 o 93.30122 3.667221 87.56464       6.843644      88.06055       9.663282      87.13957       9.691620      93.54886 5.164832 93.05359 5.207548 0.4952698      7.334443 
1 1 1 12 24 11 o 90.99532 3.486820 83.31393       6.349145      82.88886       8.133026      83.66816       9.748297      90.82816 4.477150 91.16248 5.346661 -0.3343124     6.973640 
1 1 1 12 24 12 o 48.05293 5.735476 24.00943       5.436659      19.55327       6.879775      28.47268       8.423491      43.16500 8.263876 52.94085 7.955569 -9.775848      11.47095 
1 1 1 12 24 13 o 66.48984 4.296091 44.67497       5.695952      45.87934       7.204955      43.47060       8.820225      67.46402 5.339850 65.51565 6.731388 1.948372       8.592181 
1 1 1 12 24 14 o 46.90435 5.566820 23.49935       4.959163      15.16795       6.763589      31.82365       7.254546      37.74585 9.060733 56.06286 6.470011 -18.31701      11.13364 
1 1 1 12 24 15 o 40.71104 6.066689 17.37124       4.874148      20.93475       6.756505      13.80772       7.027133      45.38651 7.443296 36.03558 9.582077 9.350937       12.13338 
1 1 1 12 24 16 o 180.4504 2.617484 327.0213       9.443663      329.6426       13.25513      324.4709       13.46058      181.1730 3.658143 179.7278 3.744714 1.445175       5.234968 
1 1 1 12 24 17 o 124.2289 2.829900 155.2218       7.033509      152.7422       9.670367      157.7014       10.21588      123.2504 3.923056 125.2074 4.079580 -1.956978      5.659801 
1 1 1 12 24 18 o 143.9415 2.729911 208.3557       7.863815      197.5872       10.76847      219.1950       11.46275      140.2116 3.840076 147.6714 3.881168 -7.459778      5.459822 
1 1 1 12 24 19 o 99.78625 3.236504 100.3876       6.465331      97.19958       8.770633      103.6465       9.500339      98.20404 4.465516 101.3685 4.686042 -3.164429      6.473007 
1 1 1 12 24 20 o 129.3417 2.993065 168.6115       7.750463      159.2599       10.50634      177.9631       11.39899      125.7641 4.177003 132.9193 4.287936 -7.155212      5.986130 
1 1 1 12 24 21 o 83.52506 4.682037 71.34109       7.821308      67.28167       10.89599      75.37926       11.21479      81.12740 6.715357 85.92273 6.526092 -4.795334      9.364074 
1 1 1 12 24 22 o 59.01381 5.839802 36.18772       6.905280      35.05420       9.096521      37.32832       10.38590      58.20210 7.814600 59.82553 8.680161 -1.623432      11.67960 
1 1 1 12 24 23 o 101.7107 3.416810 104.9217       6.961956      97.05790       9.344479      112.7855       10.32214      97.90958 4.771995 105.5118 4.891465 -7.602196      6.833620 
1 1 1 12 24 24 o 62.55358 4.632215 40.21172       5.763256      42.91801       7.729208      37.50544       8.551013      64.79980 5.963913 60.30736 7.089527 4.492443       9.264429 
1 1 1 12 24 25 o 92.12094 4.028034 87.06872       7.254546      97.55381       8.820225      76.58364       11.51943      98.07401 4.496719 86.16788 6.684292 11.90613       8.056068 
1 1 1 12 24 26 o 48.59046 5.717546 25.27047       5.343852      28.03344       7.051930      22.50751       8.033843      51.97604 6.783827 45.20488 9.205489 6.771168       11.43509 
1 1 1 12 24 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 24 28 o 48.06149 4.832005 24.27864       4.650278      25.41216       6.862772      23.14512       6.277591      49.13271 6.983914 46.99026 6.679672 2.142441       9.664009 
1 1 1 12 24 29 o 21.94135 6.290864 0.6132358      4.859979      -5.256004      7.573349      6.482334       6.093394      18.33020 8.527786 25.55251 9.250772 -7.222305      12.58173 
1 1 1 12 24 30 o 27.01784 6.113026 -6.884734      6.979667      -29.56369      12.41208      15.79139       6.382442      17.06601 8.532956 36.96967 8.755856 -19.90366      12.22605 
1 1 1 12 24 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 24 32 o 27.13581 6.446781 8.026759       4.738834      16.11019       7.410406      -0.5523798E-01 5.909905      35.78590 9.981624 18.48572 8.161564 17.30018       12.89356 
1 1 1 12 24 33 o 28.13276 6.561214 9.889987       4.300302      11.44150       6.481626      8.338477       5.652737      29.99012 9.584159 26.27539 8.963371 3.714735       13.12243 
1 1 1 12 24 34 o 20.64106 6.022328 3.374356       4.138775      1.130689       6.064347      5.618731       5.633609      18.83042 8.296597 22.45170 8.731566 -3.621286      12.04466 
1 1 1 12 24 35 o 20.05457 5.816818 3.455828       3.914904      0.5204287      5.717914      6.390944       5.348811      17.53335 7.861407 22.57579 8.575533 -5.042444      11.63364 
1 1 1 12 25 0  f 82.38728 6.725604 69.54871       10.93850      69.54871       10.93850      69.54871       10.93850      82.38728 6.725604 82.38728 6.725604 0.000000       0.000000 
1 1 1 12 25 1  o 137.5170 3.516118 190.2193       9.620775      180.0884       14.63661      200.4210       12.48292      133.7630 5.471101 141.2710 4.418076 -7.508041      7.032236 
1 1 1 12 25 2  o 169.6088 3.352781 289.4026       11.31397      271.1953       16.88949      307.5389       15.06169      164.2046 5.142817 175.0130 4.303020 -10.80832      6.705562 
1 1 1 12 25 3  o 103.4800 3.393862 107.6138       7.012964      110.5893       9.457831      104.7092       10.35756      104.9246 4.506968 102.0354 5.075475 2.889130       6.787724 
1 1 1 12 25 4  o 34.15512 6.382190 12.29164       4.536926      8.437660       6.344894      16.14561       6.487293      29.19680 9.496285 39.11345 8.529360 -9.916645      12.76438 
1 1 1 12 25 5  o 63.76894 4.152516 41.22481       5.265922      34.96209       7.289969      47.48753       7.601687      58.86896 6.191691 68.66891 5.535028 -9.799953      8.305033 
1 1 1 12 25 6  o 102.5464 3.149742 105.9135       6.478791      95.28677       8.515590      116.5403       9.769550      97.39761 4.371561 107.6952 4.535742 -10.29756      6.299484 
1 1 1 12 25 7  o 99.86733 3.052580 100.1751       6.096936      101.3086       8.600604      99.04156       8.643111      100.4359 4.281638 99.29874 4.352076 1.137192       6.105160 
1 1 1 12 25 8  o 81.32565 3.463721 66.59447       5.630066      62.32250       7.885069      70.84518       8.033843      78.71006 5.008934 83.94124 4.785398 -5.231178      6.927442 
1 1 1 12 25 9  o 118.7117 2.890068 141.9737       6.860647      157.4888       10.08835      126.3878       9.301972      125.2414 4.027563 112.1821 4.145926 13.05934       5.780136 
1 1 1 12 25 10 o 147.7114 2.899368 219.4784       8.600604      234.3559       13.16303      204.5300       11.07310      152.7010 4.310068 142.7218 3.879261 9.979218       5.798737 
1 1 1 12 25 11 o 223.5020 2.891117 502.0089       12.93633      509.0226       19.48951      494.9953       17.00993      224.9967 4.331065 222.0072 3.830940 2.989502       5.782233 
1 1 1 12 25 12 o 127.9677 3.010366 164.6442       7.700871      164.7859       11.28564      164.5025       10.49217      127.9979 4.408525 127.9376 4.100504 0.6030273E-01  6.020733 
1 1 1 12 25 13 o 37.14102 7.272672 14.65078       5.724290      10.18045       7.835476      19.12111       8.345562      31.99299 10.55296 42.28904 10.01010 -10.29605      14.54534 
1 1 1 12 25 14 o 142.6983 2.968903 205.0260       8.515590      191.2111       10.70471      218.8407       13.25513      137.9442 3.880086 147.4524 4.494715 -9.508255      5.937805 
1 1 1 12 25 15 o 104.6484 3.359299 110.4476       7.056180      105.9844       8.912323      114.9109       10.93850      102.6021 4.343149 106.6947 5.126073 -4.092606      6.718599 
1 1 1 12 25 16 o 37.73607 7.017880 15.54343       5.560638      9.323226       6.843644      21.77072       8.763549      30.40846 9.861292 45.06367 9.987867 -14.65522      14.03576 
1 1 1 12 25 17 o 60.39430 5.047174 37.19372       6.080641      37.93050       7.622942      36.45693       9.472000      61.13061 6.234962 59.65800 7.938583 1.472607       10.09435 
1 1 1 12 25 18 o 52.25873 5.430781 27.97676       5.652737      30.09503       7.800055      25.85849       8.182618      54.31404 7.180513 50.20341 8.149464 4.110634       10.86156 
1 1 1 12 25 19 o 89.36996 3.922346 81.11773       6.972582      88.98154       9.670367      73.25391       10.04585      93.79195 5.155222 84.94796 5.912942 8.843994       7.844692 
1 1 1 12 25 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 25 21 o 49.29638 6.543343 26.16313       6.223749      25.63179       8.338477      26.69446       9.238212      48.91304 8.848492 49.67971 9.641863 -0.7666626     13.08669 
1 1 1 12 25 22 o 38.42886 7.065768 16.08894       5.671865      21.37399       7.814223      10.80389       8.225125      44.47326 9.099311 32.38446 10.81216 12.08880       14.13154 
1 1 1 12 25 23 o 28.53858 7.316611 7.459997       5.440909      8.692703       7.282885      6.219499       8.083434      29.48787 10.16747 27.58929 10.52397 1.898584       14.63322 
1 1 1 12 25 24 o 24.78073 6.992437 3.622314       5.348811      0.1782465      7.098687      7.066098       7.998421      21.35144 9.188478 28.21002 10.54270 -6.858574      13.98487 
1 1 1 12 25 25 o 26.13008 7.349582 4.572348       6.067182      -1.754127      6.857813      10.90307       10.01042      19.54129 8.689344 32.71888 11.85583 -13.17759      14.69916 
1 1 1 12 25 26 o 72.86707 4.275388 55.02545       6.232251      54.97586       8.508506      55.07504       9.103605      72.92241 5.833945 72.81174 6.251468 0.1106720      8.550776 
1 1 1 12 25 27 o 25.46427 6.608900 4.466789       4.964830      10.55593       6.641027      -1.621646      7.382068      30.75171 9.687491 20.17683 8.992372 10.57488       13.21780 
1 1 1 12 25 28 o 72.55774 4.485497 55.66306       6.530509      64.15739       9.925409      47.16872       8.487252      78.12158 6.352540 66.99390 6.334347 11.12768       8.970993 
1 1 1 12 25 29 o 21.35668 6.251424 2.060886       4.480958      -0.6357646     6.449745      4.757962       6.221623      19.22268 8.501488 23.49067 9.167655 -4.267984      12.50285 
1 1 1 12 25 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 25 31 o 40.07555 6.378892 19.37616       5.254587      12.58210       7.998421      26.17729       6.818849      31.48470 10.66214 48.66641 7.005703 -17.18172      12.75778 
1 1 1 12 25 32 o 34.46405 6.388576 14.82790       4.532674      12.54668       6.743752      17.10911       6.058680      31.22684 9.747247 37.70127 8.261160 -6.474428      12.77715 
1 1 1 12 25 33 o 32.23960 6.656357 13.87857       4.560304      14.36032       6.675741      13.40391       6.215247      32.64462 9.595901 31.83460 9.227516 0.8100185      13.31271 
1 1 1 12 25 34 o 37.03477 6.153739 18.34182       4.506462      21.26772       6.616940      15.41591       6.120315      40.41411 8.459374 33.65544 8.939408 6.758671       12.30748 
1 1 1 12 25 35 o 19.24933 5.955698 3.076806       4.454745      7.360813       6.867732      -1.208619      5.676116      22.65449 9.353127 15.84417 7.375663 6.810328       11.91140 
1 1 1 12 26 0  o 183.4700 3.714202 337.5773       13.61644      337.5773       13.61644      337.5773       13.61644      183.4700 3.714202 183.4700 3.714202 -0.000000      0.000000 
1 1 1 12 26 1  o 150.0568 2.801262 225.9961       8.416408      221.9579       11.12269      230.1051       12.63170      148.7350 3.739097 151.3786 4.172220 -2.643570      5.602523 
1 1 1 12 26 2  o 96.00851 3.670354 92.80718       7.058305      96.42028       10.48509      89.19408       9.450747      97.85802 5.357296 94.15901 5.018504 3.699005       7.340708 
1 1 1 12 26 3  o 116.6930 3.377880 136.9437       7.870899      133.7557       11.63278      140.1318       10.61261      115.2976 5.044677 118.0885 4.493498 -2.790932      6.755760 
1 1 1 12 26 4  o 70.26021 4.510691 49.86084       6.337101      49.52078       9.415324      50.20798       8.480167      69.97871 6.727278 70.54172 6.010746 -0.5630112     9.021382 
1 1 1 12 26 5  o 221.5772 3.514561 494.1451       15.55052      488.4775       24.08027      499.7419       19.69496      220.1663 5.468656 222.9880 4.416148 -2.821655      7.029122 
1 1 1 12 26 6  o 42.65989 6.719387 19.48242       5.645652      22.62086       8.869816      16.33690       6.989584      46.09629 9.905684 39.22348 9.081741 6.872810       13.43877 
1 1 1 12 26 7  o 183.1786 2.781579 337.1522       10.20170      326.7380       13.52434      347.4956       15.28839      180.3954 3.748528 185.9617 4.110627 -5.566360      5.563158 
1 1 1 12 26 8  o 118.2184 3.611452 141.4070       8.728126      159.5433       14.77122      123.3415       9.301972      125.6673 5.877112 110.7695 4.198797 14.89784       7.222905 
1 1 1 12 26 9  o 70.33461 3.931305 49.98127       5.527341      46.75073       7.715039      53.20473       7.913406      68.04881 5.668755 72.62042 5.448472 -4.571617      7.862610 
1 1 1 12 26 10 o 56.35863 4.795973 32.48251       5.326140      38.68147       7.523758      26.28356       7.545012      61.85923 6.081354 50.85802 7.417719 11.00121       9.591947 
1 1 1 12 26 11 o 61.83901 4.529062 38.90108       5.574099      44.27824       8.019674      33.52394       7.743378      66.17332 6.059598 57.50470 6.732822 8.668625       9.058125 
1 1 1 12 26 12 o 131.1501 2.842881 173.0039       7.459997      174.1374       10.52759      171.7996       10.56302      131.5970 3.999938 130.7032 4.040841 0.8937683      5.685762 
1 1 1 12 26 13 o 23.36631 6.686634 2.084265       4.980416      5.259546       7.148279      -1.091724      6.940702      26.19200 9.924039 20.54062 8.964247 5.651375       13.37327 
1 1 1 12 26 14 f 47.75797 6.150058 23.86774       5.676116      21.10478       8.600604      26.63070       7.410406      44.36590 9.940840 51.15003 7.243794 -6.784130      12.30012 
1 1 1 12 26 15 o 75.38036 4.202276 57.80967       6.262714      50.58346       9.224042      65.04295       8.473083      70.54230 6.537951 80.21842 5.281258 -9.676125      8.404552 
1 1 1 12 26 16 o 33.93193 7.347935 11.64695       5.693827      7.722124       8.572267      15.57177       7.495420      29.82657 10.95508 38.03729 9.795647 -8.210718      14.69587 
1 1 1 12 26 17 o 53.50243 6.593074 30.18713       6.869856      33.66563       9.783719      26.70863       9.649114      57.15870 8.558381 49.84616 10.03138 7.312546       13.18615 
1 1 1 12 26 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 26 19 o 95.12674 4.519326 92.80718       8.494337      101.6628       10.94558      83.88069       12.98592      99.98198 5.473777 90.27150 7.192703 9.710480       9.038651 
1 1 1 12 26 20 o 85.52737 4.265336 74.59997       7.297054      74.74166       9.358648      74.45828       11.18645      85.75986 5.456310 85.29488 6.557518 0.4649887      8.530672 
1 1 1 12 26 21 o 28.78811 7.470635 7.071057       5.944619      1.128564       7.360813      13.01426       9.337394      22.54334 9.514716 35.03288 11.52006 -12.48954      14.94127 
1 1 1 12 26 22 o 103.3402 3.393297 108.4640       7.010130      108.9599       9.507423      107.9680       10.30797      103.6453 4.586518 103.0350 5.002171 0.6103363      6.786594 
1 1 1 12 26 23 o 40.84710 7.025171 18.58978       5.702329      20.62303       7.977167      16.56360       8.154280      43.21526 9.487781 38.47894 10.36311 4.736324       14.05034 
1 1 1 12 26 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 26 25 o 28.86218 7.532959 8.239295       5.870231      4.376107       6.841519      12.10036       9.542846      24.30438 9.580433 33.41999 11.62743 -9.115614      15.06592 
1 1 1 12 26 26 o 25.66750 7.014277 5.384942       5.245378      2.018379       7.022882      8.749379       7.792970      22.25842 9.339192 29.07658 10.46804 -6.818163      14.02855 
1 1 1 12 26 27 o 20.43048 6.425718 -0.9599522     5.274423      -1.807261      6.825933      -0.1123604     8.040927      19.09372 8.574519 21.76723 9.572723 -2.673506      12.85144 
1 1 1 12 26 28 o 26.93939 7.200964 7.197870       5.388484      4.379649       7.024299      10.01751       8.175533      23.90872 9.607923 29.97007 10.72862 -6.061348      14.40193 
1 1 1 12 26 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 26 30 o 26.11306 6.692595 7.127024       4.779924      10.95267       6.456830      3.294301       7.049096      29.90025 9.566855 22.32588 9.361550 7.574366       13.38519 
1 1 1 12 26 31 o 40.94567 6.490698 20.84265       5.195786      20.39633       7.764632      21.28897       6.909530      39.91652 9.787852 41.97483 8.527285 -2.058311      12.98140 
1 1 1 12 26 32 o 21.67399 6.187761 2.466121       4.758671      11.12269       7.247461      -6.188326      6.168490      28.50076 10.11144 14.84723 7.135283 13.65353       12.37552 
1 1 1 12 26 33 o 43.40096 5.717847 23.79690       4.845810      24.72497       7.750463      22.86882       5.816390      42.57489 9.356096 44.22704 6.575603 -1.652153      11.43569 
1 1 1 12 26 34 o 26.20392 6.562752 10.87473       4.517797      16.66987       7.311223      5.073223       5.309138      31.99140 10.17453 20.41644 8.292039 11.57497       13.12550 
1 1 1 12 27 0  o 95.23220 4.586662 91.60282       8.692703      91.60282       8.692703      91.60282       8.692703      95.23220 4.586662 95.23220 4.586662 -0.000000      0.000000 
1 1 1 12 27 1  o 68.76099 4.081137 47.95510       5.578349      41.59320       7.849646      54.32409       7.927575      64.13565 6.119565 73.38633 5.401262 -9.250679      8.162273 
1 1 1 12 27 2  o 86.82288 3.432964 75.94603       5.955954      72.75800       8.451830      79.13406       8.395153      84.98489 4.972549 88.66088 4.734418 -3.675995      6.865928 
1 1 1 12 27 3  o 61.74640 4.363840 38.61062       5.385650      41.40192       7.771716      35.81932       7.459997      63.99231 6.072383 59.50048 6.268855 4.491833       8.727679 
1 1 1 12 27 4  o 48.23476 5.234399 23.68354       5.046302      25.66721       7.304138      21.70696       6.964789      50.26863 7.265105 46.20089 7.537506 4.067749       10.46880 
1 1 1 12 27 5  f 38.98363 6.819495 16.25188       5.305595      14.33906       7.226208      18.16470       7.771716      36.69857 9.697939 41.26868 9.590204 -4.570118      13.63899 
1 1 1 12 27 6  o 73.84750 4.077303 55.08921       6.011213      57.52628       8.288886      52.65922       8.706873      75.51283 5.488396 72.18217 6.031179 3.330658       8.154606 
1 1 1 12 27 7  o 35.21858 7.518759 12.71671       5.878025      10.79680       9.153197      14.62953       7.374983      33.38247 11.40586 37.05470 9.799651 -3.672230      15.03752 
1 1 1 12 27 8  o 59.60737 5.873975 37.72506       6.751545      49.81124       10.37882      25.63887       8.636027      69.96407 7.417249 49.25067 9.110365 20.71340       11.74795 
1 1 1 12 27 9  f 34.77839 7.947627 10.94558       7.004463      6.930075       12.02951      14.96250       7.176617      32.18122 12.69795 37.37555 9.561447 -5.194332      15.89525 
1 1 1 12 27 10 o 77.43549 4.730898 60.91977       7.318307      59.80750       10.70471      62.03204       9.989170      76.67487 6.980584 78.19611 6.387255 -1.521248      9.461796 
1 1 1 12 27 11 o 144.1147 3.200268 209.2058       9.188620      200.7752       13.99901      217.6364       11.90199      141.1101 4.960312 147.1192 4.045017 -6.009018      6.400536 
1 1 1 12 27 12 o 184.2884 3.173269 342.1822       11.70362      330.9887       16.11728      353.3758       16.96742      181.2858 4.445267 187.2909 4.529696 -6.005096      6.346539 
1 1 1 12 27 13 o 54.52116 5.224539 30.42800       5.687451      33.29015       8.175533      27.57294       7.906322      57.12312 7.156065 51.91919 7.614065 5.203922       10.44908 
1 1 1 12 27 14 o 54.35459 5.381166 30.39967       5.817098      25.53969       7.991336      35.26673       8.458915      49.91529 8.004899 58.79389 7.193703 -8.878601      10.76233 
1 1 1 12 27 15 o 94.07108 3.894861 90.32761       7.212039      106.9054       10.04585      73.82067       10.35048      102.8809 4.882269 85.26125 6.069861 17.61966       7.789722 
1 1 1 12 27 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 27 17 o 79.76031 4.909200 65.73724       7.750463      75.73349       10.88182      55.73391       11.03768      86.04431 6.323381 73.47630 7.511047 12.56801       9.818400 
1 1 1 12 27 18 o 30.07615 7.831064 7.715039       6.398028      12.19954       9.464915      3.227706       8.607689      34.39916 11.59846 25.75313 10.52511 8.646036       15.66213 
1 1 1 12 27 19 o 128.5017 3.461461 167.5488       8.862731      158.8349       13.17012      176.1920       11.85948      125.0328 5.266665 131.9706 4.493227 -6.937813      6.922922 
1 1 1 12 27 20 o 103.6959 3.772706 109.5266       7.814223      107.5430       11.50526      111.5103       10.58427      102.6597 5.603592 104.7322 5.053018 -2.072495      7.545412 
1 1 1 12 27 21 o 85.02641 4.143642 74.67081       6.938577      61.11105       9.925409      88.20225       9.698705      77.03748 6.441936 93.01535 5.213497 -15.97787      8.287285 
1 1 1 12 27 22 o 56.37040 5.673302 35.05420       6.280425      21.90533       7.367898      48.19598       10.17337      44.86024 8.520075 67.88055 7.493580 -23.02031      11.34660 
1 1 1 12 27 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 27 24 o 21.52490 6.601051 -7.693786      6.570890      5.021506       7.197870      -20.41758      10.99517      25.21909 9.856920 17.83071 8.782745 7.388376       13.20210 
1 1 1 12 27 25 o 29.97733 7.474593 9.528677       5.765380      4.588642       7.254546      14.47367       8.961915      24.68262 9.822300 35.27205 11.26945 -10.58942      14.94919 
1 1 1 12 27 26 o 34.60409 7.263999 13.85023       5.768923      19.11403       7.630026      8.593520       8.657280      40.37919 9.579889 28.82899 10.92192 11.55020       14.52800 
1 1 1 12 27 27 o 27.18701 7.588693 5.226249       6.631108      9.089437       7.410406      1.360227       11.00226      28.82745 10.22477 25.54657 11.21638 3.280886       15.17739 
1 1 1 12 27 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 27 29 o 49.52907 7.834274 31.91575       7.814223      25.07919       11.70362      38.75231       10.35048      41.78932 12.80002 57.26882 9.036750 -15.47950      15.66855 
1 1 1 12 27 30 o 22.76826 6.585292 3.560679       5.059763      7.658363       6.709747      -0.5345977     7.573349      25.67375 9.643959 19.86278 8.969858 5.810978       13.17058 
1 1 1 12 27 31 o 27.22062 6.327300 9.337394       4.314471      14.27530       6.203204      4.394526       5.999169      32.96975 9.110389 21.47150 8.782921 11.49825       12.65460 
1 1 1 12 27 32 o 15.27584 5.129380 -3.929782      4.215288      -2.099143      6.324349      -5.759713      5.574099      16.66494 7.768451 13.88673 6.700248 2.778218       10.25876 
1 1 1 12 27 33 o 21.03551 5.503046 1.710911       4.176323      -8.494337      6.287509      11.91616       5.499711      13.47946 6.639451 28.59155 8.777911 -15.11209      11.00609 
1 1 1 12 28 0  o 63.14909 6.301225 41.30982       7.814223      41.30982       7.814223      41.30982       7.814223      63.14909 6.301225 63.14909 6.301225 -0.000000      0.000000 
1 1 1 12 28 1  f 87.15161 3.617286 76.58364       6.303804      75.30843       8.905238      77.92970       8.926493      86.40058 5.153460 87.90263 5.077489 -1.502052      7.234573 
1 1 1 12 28 2  o 76.71921 3.871615 59.60913       5.928325      53.50228       8.239295      65.71599       8.522675      72.75227 5.662568 80.68614 5.281375 -7.933868      7.743229 
1 1 1 12 28 3  o 94.94188 3.394649 91.10690       6.436285      100.6002       9.337394      81.61364       8.862731      99.92165 4.672359 89.96212 4.925813 9.959526       6.789298 
1 1 1 12 28 4  o 86.22662 3.553313 75.02505       6.127400      76.22942       8.621859      73.82067       8.706873      86.92880 4.959149 85.52444 5.090284 1.404366       7.106627 
1 1 1 12 28 5  o 15.58955 5.300861 -10.31506      4.843685      -6.682826      7.046261      -13.94233      6.648112      17.37309 8.133770 13.80600 6.799875 3.567083       10.60172 
1 1 1 12 28 6  o 101.2691 3.463721 103.4340       7.005171      106.2678       9.472000      100.6002       10.32214      102.7046 4.611282 99.83360 5.169674 2.871025       6.927442 
1 1 1 12 28 7  o 43.29340 7.290111 20.24755       6.308763      22.87591       10.12378      17.62628       7.523758      45.98897 11.11417 40.59783 9.437060 5.391136       14.58022 
1 1 1 12 28 8  o 35.77721 7.162840 13.36848       5.613063      18.67479       7.863815      8.062181       8.012589      41.76346 9.608540 29.79097 10.62549 11.97249       14.32568 
1 1 1 12 28 9  o 124.3065 3.430157 155.9302       8.529759      161.8812       12.36957      149.9792       11.75322      126.6723 4.882505 121.9406 4.819239 4.731758       6.860314 
1 1 1 12 28 10 o 80.36945 4.169174 65.50345       6.718248      62.88926       8.742295      68.12472       10.20170      78.82575 5.545329 81.91313 6.227149 -3.087379      8.338348 
1 1 1 12 28 11 o 30.70777 8.128657 7.700871       6.805388      6.695578       10.38590      8.706873       8.798972      30.47861 11.85506 30.93693 11.12465 -0.4583244     16.25731 
1 1 1 12 28 12 o 101.6887 4.240753 104.9926       8.593520      99.75002       12.73796      110.1643       11.54068      99.05672 6.429631 104.3207 5.531345 -5.264023      8.481505 
1 1 1 12 28 13 o 41.46554 8.702490 18.82356       7.792970      20.80723       12.20662      16.83990       9.684536      43.52533 13.02070 39.40575 11.54967 4.119579       17.40498 
1 1 1 12 28 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 28 15 o 89.38755 5.113575 82.39294       9.039845      75.37926       13.88566      89.40662       11.56902      85.23022 8.145969 93.54488 6.183672 -8.314667      10.22715 
1 1 1 12 28 16 o 64.47832 6.066295 45.27007       7.509589      62.20206       11.74613      28.34516       9.365732      77.67155 7.561410 51.28509 9.488140 26.38647       12.13259 
1 1 1 12 28 17 o 99.67504 3.568889 100.8127       7.112856      103.2214       9.960832      98.40395       10.15211      100.8971 4.936132 98.45294 5.155820 2.444199       7.137779 
1 1 1 12 28 18 o 96.70869 3.621433 95.35760       6.969040      105.6302       9.797889      85.08506       9.911241      102.0290 4.801522 91.38840 5.422593 10.64059       7.242867 
1 1 1 12 28 19 o 49.30453 6.267342 26.21980       5.958787      30.93100       8.232210      21.50151       8.621859      54.54059 7.546865 44.06847 10.00815 10.47212       12.53468 
1 1 1 12 28 20 o 34.22385 7.349229 12.80172       5.737042      6.949204       7.587519      18.66062       8.607689      27.70553 10.28533 40.74216 10.50031 -13.03662      14.69846 
1 1 1 12 28 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 28 22 o 42.24738 7.858632 20.71513       6.767131      18.07261       9.521592      23.35765       9.620775      39.45101 11.41662 45.04375 10.80246 -5.592735      15.71726 
1 1 1 12 28 23 o 39.58286 7.690639 18.40558       6.301678      20.60886       9.464915      16.20938       8.317224      41.82705 11.11996 37.33867 10.62686 4.488377       15.38128 
1 1 1 12 28 24 o 36.77509 8.012916 15.91183       6.565931      18.40558       8.961915      13.41099       9.599521      39.40574 10.97224 34.14443 11.68064 5.261307       16.02583 
1 1 1 12 28 25 o 24.61783 7.311571 2.426447       6.398736      6.513506       8.026759      -1.661319      9.967916      26.47347 10.39562 22.76220 10.28433 3.711269       14.62314 
1 1 1 12 28 26 o 22.59982 7.340400 -3.326890      7.757547      -1.402026      8.380984      -5.251753      13.04968      21.12106 9.492482 24.07858 11.19905 -2.957525      14.68080 
1 1 1 12 28 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 28 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 28 29 o 45.70982 6.498481 26.37566       5.836935      20.16254       6.898903      32.59587       9.415324      40.49358 8.766087 50.92607 9.595663 -10.43249      12.99696 
1 1 1 12 28 30 o 14.48516 4.993199 -8.324308      4.658071      -8.983169      6.009089      -7.665448      7.119940      13.48713 6.605071 15.48320 7.490073 -1.996064      9.986399 
1 1 1 12 28 31 o 25.60139 6.632698 9.181536       4.573764      5.166739       5.798677      13.19846       7.076016      21.44545 8.683301 29.75732 10.02851 -8.311867      13.26540 
1 1 1 12 28 32 o 20.06848 5.954924 3.985749       4.237958      0.8806056      6.256337      7.091603       5.718623      17.67262 8.041963 22.46435 8.784719 -4.791735      11.90985 
1 1 1 12 29 0  o 19.10886 11.38791 4.313055       7.495420      4.313055       7.495420      4.313055       7.495420      19.10886 11.38791 19.10886 11.38791 0.000000       0.000000 
1 1 1 12 29 1  o 31.36050 6.766786 8.933578       5.362272      17.66879       7.764632      0.2037507      7.396237      40.57446 9.688169 22.14655 9.449705 18.42791       13.53357 
1 1 1 12 29 2  o 116.2718 3.157973 136.1644       7.339560      140.4860       10.40716      131.9137       10.35756      118.1130 4.405595 114.4307 4.525695 3.682304       6.315947 
1 1 1 12 29 3  o 30.06670 7.195838 8.210957       5.469956      13.53851       7.934660      2.887649       7.530843      35.70238 10.45110 24.43102 9.894185 11.27136       14.39168 
1 1 1 12 29 4  o 22.43370 6.669448 -0.1040716     5.309846      -4.813930      7.247461      4.606353       7.764632      18.68203 8.551590 26.18537 10.23701 -7.503345      13.33890 
1 1 1 12 29 5  o 68.56425 4.410290 48.01178       5.994210      55.51429       8.508506      40.51636       8.444746      74.02894 5.746743 63.09955 6.691605 10.92939       8.820580 
1 1 1 12 29 6  o 55.06535 5.707860 31.82365       6.001295      38.40517       8.373900      25.24922       8.593520      61.41033 6.817990 48.72038 9.156075 12.68995       11.41572 
1 1 1 12 29 7  o 77.97597 4.336242 61.74158       6.758630      64.90127       9.620775      58.57479       9.493254      79.99666 6.013236 75.95528 6.249238 4.041374       8.672484 
1 1 1 12 29 8  o 33.08649 8.036241 10.65512       6.470290      9.967916       9.734127      11.34231       8.529759      32.75619 11.70862 33.41681 11.01058 -0.6606178     16.07248 
1 1 1 12 29 9  o 21.93182 7.027348 -4.581558      6.635359      -4.279048      9.039845      -4.884067      9.712874      21.62685 9.781412 22.23678 10.09249 -0.6099262     14.05470 
1 1 1 12 29 10 o 73.57954 5.213881 55.80475       7.615856      64.16447       10.88890      47.43793       10.65512      79.24292 6.870585 67.91616 7.844316 11.32676       10.42776 
1 1 1 12 29 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 29 12 o 39.49794 18.09336 0.000000       0.000000      ?              ?             -8.883986      32.51085      ?        ?        39.49794 18.09336 ?              ?        
1 1 1 12 29 13 o 77.65950 4.943318 62.35084       7.559181      72.89968       10.44258      51.79491       10.93141      84.49970 6.179063 70.81929 7.717821 13.68041       9.886636 
1 1 1 12 29 14 o 81.50763 4.300747 67.85551       7.020757      63.04512       9.450747      72.68716       10.38590      78.62804 6.009782 84.38722 6.153718 -5.759186      8.601495 
1 1 1 12 29 15 o 53.01009 6.328710 30.38550       6.522007      22.11786       8.494337      38.65313       9.904156      45.01348 9.711858 61.00669 8.117270 -15.99321      12.65742 
1 1 1 12 29 16 o 37.90177 8.657513 15.71346       7.594603      11.34940       10.00334      20.08461       11.42733      33.60672 11.88374 42.19682 12.59313 -8.590096      17.31503 
1 1 1 12 29 17 o 62.92159 5.791583 41.45860       7.297054      43.01719       10.79680      39.90709       9.819141      64.01750 8.432698 61.82567 7.940991 2.191833       11.58317 
1 1 1 12 29 18 o 46.15748 7.336750 23.78273       6.634651      22.64920       10.10252      24.92334       8.607689      44.64180 11.29933 47.67316 9.361452 -3.031364      14.67350 
1 1 1 12 29 19 o 46.57581 16.34049 0.000000       0.000000      ?              ?             27.09828       18.88024      ?        ?        46.57581 16.34049 ?              ?        
1 1 1 12 29 20 o 61.85227 8.193559 47.50878       10.46383      22.25247       10.73304      72.75800       17.95925      43.33006 11.98827 80.37448 11.17224 -37.04443      16.38712 
1 1 1 12 29 21 o 72.46487 5.843433 56.19439       8.423491      52.33333       12.37665      60.05545       11.42733      69.60292 8.890901 75.32682 7.585165 -5.723900      11.68687 
1 1 1 12 29 22 o 33.90700 8.055254 12.63170       6.726042      16.04643       8.621859      9.216957       10.32214      37.01802 10.91286 30.79598 11.85150 6.222048       16.11051 
1 1 1 12 29 23 o 55.46961 6.502717 35.09670       7.134109      28.42308       8.891070      41.77032       11.15103      49.81223 9.270654 61.12699 9.121202 -11.31476      13.00543 
1 1 1 12 29 24 o 20.29993 6.567416 -4.174198      6.115356      -0.2573805     8.487252      -8.090520      8.806056      22.04210 9.749857 18.55777 8.801371 3.484333       13.13483 
1 1 1 12 29 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 29 26 o 22.86168 7.251420 -1.920613      7.431659      -13.65187      10.22296      9.812057       10.78972      17.47100 8.573394 28.25236 11.69741 -10.78136      14.50284 
1 1 1 12 29 27 f 21.57060 7.391995 -8.005506      9.578268      -13.76522      10.99517      -2.250043      15.69221      18.20222 8.919079 24.93899 11.79052 -6.736763      14.78399 
1 1 1 12 29 28 o 26.88472 6.882924 8.898154       4.891860      10.98809       6.506421      6.808930       7.304138      29.04865 9.616401 24.72078 9.850046 4.327873       13.76585 
1 1 1 12 29 29 o 25.32284 6.923431 7.630026       5.289301      11.93741       7.254546      3.319805       7.700871      29.04172 10.13470 21.60396 9.435223 7.437761       13.84686 
1 1 1 12 29 30 o 14.84812 5.170491 -9.606606      5.229791      -14.07694      6.670074      -5.141234      8.055097      12.62229 6.309800 17.07395 8.192822 -4.451666      10.34098 
1 1 1 12 30 0  o 78.05499 6.273721 62.57046       9.670367      62.57046       9.670367      62.57046       9.670367      78.05499 6.273721 78.05499 6.273721 0.000000       0.000000 
1 1 1 12 30 1  o 60.77877 5.304789 37.78882       6.444786      38.89400       9.054014      36.68364       9.174451      61.69708 7.337473 59.86045 7.663199 1.836632       10.60958 
1 1 1 12 30 2  o 50.65556 6.654320 27.36749       6.496503      28.50810       9.379901      26.22688       8.990252      51.72934 9.414469 49.58178 9.406789 2.147556       13.30864 
1 1 1 12 30 3  o 35.18799 7.562613 12.21371       6.402279      3.793051       8.976085      20.64428       9.131943      26.78255 10.82028 43.59344 10.56854 -16.81089      15.12523 
1 1 1 12 30 4  o 103.2717 4.092041 108.9599       8.465999      127.1671       12.85840      90.75267       11.03059      111.9725 5.741766 94.57082 5.831923 17.40170       8.184083 
1 1 1 12 30 5  f 61.59394 5.800931 39.10654       7.148279      39.33324       10.15211      38.88692       10.06001      61.76643 8.218149 61.42145 8.189334 0.3449745      11.60186 
1 1 1 12 30 6  o 57.29182 7.149780 35.27382       7.913406      28.87649       11.23604      41.67822       11.15103      51.23743 11.26979 63.34621 8.801657 -12.10878      14.29956 
1 1 1 12 30 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 30 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 30 9  o 38.79101 8.717105 16.37940       7.594603      17.08077       10.85348      15.67804       10.62678      39.48267 12.37389 38.09936 12.28163 1.383308       17.43421 
1 1 1 12 30 10 o 59.90846 6.156452 38.14305       7.127024      45.61721       10.30089      30.67596       9.840395      66.46001 7.749691 53.35692 9.568171 13.10308       12.31290 
1 1 1 12 30 11 o 82.96395 4.384653 70.28550       7.282885      67.97595       9.960832      72.61631       10.61969      81.62146 6.101846 84.30644 6.298268 -2.684982      8.769305 
1 1 1 12 30 12 o 89.86288 4.057569 82.95970       7.240376      98.26226       10.59135      67.67840       9.882903      98.31357 5.386517 81.41220 6.069669 16.90137       8.115137 
1 1 1 12 30 13 o 131.9576 3.248135 176.5462       8.572267      185.1185       12.36248      167.9031       11.88074      135.1849 4.572436 128.7304 4.614581 6.454468       6.496271 
1 1 1 12 30 14 o 31.33928 7.627212 9.797889       5.888652      12.77339       8.338477      6.828767       8.317224      34.35368 10.85971 28.32488 10.71280 6.028793       15.25442 
1 1 1 12 30 15 o 26.44385 6.744521 1.832765       5.757588      13.88566       8.111773      -10.22296      8.175533      35.49151 10.61377 17.39619 8.324794 18.09531       13.48904 
1 1 1 12 30 16 o 87.53568 4.007428 78.49645       7.014381      79.13406       9.627860      77.92970       10.20170      87.94257 5.473947 87.12878 5.854384 0.8137970      8.014855 
1 1 1 12 30 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 30 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 30 19 o 39.33973 8.672633 18.30639       7.630026      15.36632       9.216957      21.24647       12.16412      36.57953 11.39072 42.09993 13.08089 -5.520393      17.34527 
1 1 1 12 30 20 o 54.67246 6.552855 33.24764       7.035635      30.58386       9.486169      35.91142       10.39299      52.08185 9.455586 57.26307 9.074774 -5.181221      13.10571 
1 1 1 12 30 21 o 20.27352 6.653524 -5.460038      6.469582      -5.348811      9.620775      -5.571265      8.650196      20.93263 9.689544 19.61442 9.120871 1.318214       13.30705 
1 1 1 12 30 22 o 40.16117 7.791584 19.72330       6.920157      11.92324       10.20879      27.53044       9.344479      32.12456 11.92951 48.19778 10.02607 -16.07322      15.58317 
1 1 1 12 30 23 o 32.60863 8.370382 12.12161       7.254546      9.153197       10.97392      15.09002       9.479085      30.22089 12.06349 34.99638 11.60713 -4.775486      16.74076 
1 1 1 12 30 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 30 25 o 29.95542 7.786395 9.684536       6.829475      18.03718       9.493254      1.337557       9.819141      36.52065 11.59167 23.39018 10.39928 13.13047       15.57279 
1 1 1 12 30 26 o 27.12371 7.268923 7.573349       5.977916      12.72379       7.509589      2.424322       9.301972      31.09569 10.33117 23.15173 10.22819 7.943962       14.53785 
1 1 1 12 30 27 o 32.06031 6.461439 11.72488       5.754754      24.11570       7.509589      -0.6679283     8.721042      43.68343 8.904120 20.43718 9.365756 23.24625       12.92288 
1 1 1 12 30 28 o 24.90041 7.128089 6.580100       6.079224      15.34507       9.018591      -2.182740      8.154280      31.11192 11.25518 18.68889 8.749829 12.42303       14.25618 
1 1 1 12 30 29 o 23.24488 6.865123 6.562388       5.480583      2.428572       7.573349      10.69762       7.927575      20.14469 9.039472 26.34507 10.33478 -6.200378      13.73025 
1 1 1 12 31 0  o 71.57545 8.002420 54.02653       11.20771      54.02653       11.20771      54.02653       11.20771      71.57545 8.002420 71.57545 8.002420 0.000000       0.000000 
1 1 1 12 31 1  o 27.56059 8.008123 3.435991       7.148279      0.8310140      10.13086      6.041677       10.08835      25.76617 11.02888 29.35500 11.61395 -3.588823      16.01625 
1 1 1 12 31 2  o 32.88189 8.036595 9.124859       7.169532      -0.3351686     9.925409      18.58269       10.35756      24.82147 10.77536 40.94230 11.92640 -16.12083      16.07319 
1 1 1 12 31 3  o 69.66674 5.422709 50.13005       7.552096      49.97419       10.46383      50.29299       10.90307      69.59950 7.517175 69.73398 7.817618 -0.1344757     10.84542 
1 1 1 12 31 4  o 92.15694 4.423875 87.13957       8.069265      99.46662       11.23604      74.88335       11.59027      98.85605 5.683034 85.45782 6.781282 13.39823       8.847750 
1 1 1 12 31 5  f 29.67595 7.109078 3.132774       6.597104      18.10803       9.153197      -11.84531      9.500339      40.53133 11.00820 18.82055 8.998639 21.71078       14.21816 
1 1 1 12 31 6  o 34.22538 8.202828 9.337394       7.686701      0.4945702      12.19954      18.18596       9.351563      27.84513 12.01495 40.60563 11.17079 -12.76050      16.40566 
1 1 1 12 31 7  o 53.53382 6.704226 30.65471       7.023591      35.17463       10.40716      26.14187       9.436578      58.04012 8.965485 49.02752 9.970290 9.012608       13.40845 
1 1 1 12 31 8  o 24.01993 7.427949 -0.9833311     6.806097      -2.670155      8.933578      0.7037052      10.26547      22.19700 9.892529 25.84287 11.08312 -3.645868      14.85590 
1 1 1 12 31 9  o 75.62117 4.784585 59.38243       7.148279      46.98452       9.861650      71.76617       10.35048      67.47726 7.307386 83.76508 6.178279 -16.28781      9.569171 
1 1 1 12 31 10 o 80.29014 4.354729 66.30400       6.970457      75.37926       10.15211      57.25708       9.557014      85.87495 5.910986 74.70532 6.396475 11.16963       8.709457 
1 1 1 12 31 11 o 64.63161 5.225557 43.52020       6.718957      37.21497       9.301972      49.82542       9.698705      59.80271 7.777217 69.46053 6.981452 -9.657818      10.45111 
1 1 1 12 31 12 o 134.2301 3.190413 182.8514       8.565183      175.0584       11.92324      190.6444       12.29872      131.3572 4.538481 137.1030 4.485211 -5.745834      6.380825 
1 1 1 12 31 13 o 23.98860 7.386489 -0.1778923     6.638901      -1.058427      8.848563      0.7025008      9.897071      22.83369 10.04185 25.14350 10.83523 -2.309809      14.77298 
1 1 1 12 31 14 o 71.98151 5.396208 54.33117       7.771716      53.23307       10.57010      55.42218       11.39899      71.35259 7.406950 72.61041 7.849418 -1.257820      10.79242 
1 1 1 12 31 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 31 16 o 31.78855 8.331754 10.21588       7.050512      9.032760       9.280719      11.40607       10.61969      30.42848 11.35945 33.14862 12.19161 -2.720144      16.66351 
1 1 1 12 31 17 o 73.22264 4.805482 56.48486       6.913073      66.32525       9.514507      46.64446       10.03168      80.02903 5.944410 66.41625 7.552126 13.61278       9.610964 
1 1 1 12 31 18 o 60.73870 5.435155 39.90709       6.541844      30.67596       8.742295      49.14530       9.734127      53.35472 8.192616 68.12269 7.144556 -14.76797      10.87031 
1 1 1 12 31 19 o 30.61017 7.705468 10.08127       6.038843      6.971166       8.281801      13.19137       8.791886      27.49341 10.60843 33.72693 11.17847 -6.233522      15.41094 
1 1 1 12 31 20 o 35.74117 7.762691 15.64970       6.088435      15.04752       8.147196      16.24480       9.054014      35.21560 10.65832 36.26675 11.28883 -1.051147      15.52538 
1 1 1 12 31 21 o 28.01100 7.815599 6.172740       6.918032      -1.997126      8.777717      14.34615       10.69762      21.42369 9.666728 34.59832 12.28368 -13.17463      15.63120 
1 1 1 12 31 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 31 23 f 20.47728 6.693098 -5.180200      6.850020      1.995000       8.784801      -12.35540      10.51342      22.62502 9.974813 18.32953 8.927112 4.295485       13.38620 
1 1 1 12 31 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 31 25 o 24.45760 7.679127 3.691034       7.545012      2.453368       9.613690      4.929408       11.62569      23.19973 10.30461 25.71547 11.38820 -2.515743      15.35825 
1 1 1 12 31 26 o 53.41761 6.139208 35.53594       6.565931      33.97735       8.777717      37.09454       9.769550      52.65707 8.334795 54.17814 9.016136 -1.521069      12.27842 
1 1 1 12 31 27 o 28.84690 7.002248 10.95975       5.814972      2.801927       8.791886      19.12111       7.608772      21.47292 9.682508 36.22089 10.11805 -14.74798      14.00450 
1 1 1 12 31 28 o 34.13433 7.084252 18.25680       5.482000      13.24805       8.019674      23.26556       7.481250      28.11803 10.54710 40.15063 9.460722 -12.03261      14.16850 
1 1 1 12 32 0  o 22.05225 12.60828 6.911656       8.628942      6.911656       8.628942      6.911656       8.628942      22.05225 12.60828 22.05225 12.60828 -0.000000      0.000000 
1 1 1 12 32 1  o 31.16089 7.898983 9.061099       6.363315      6.143694       9.068183      11.97992       8.926493      28.47577 11.07720 33.84602 11.26372 -5.370255      15.79797 
1 1 1 12 32 2  o 47.68022 7.090614 24.86666       6.690619      17.91675       9.408240      31.81657       9.514507      40.17401 11.26042 55.18644 8.620332 -15.01242      14.18123 
1 1 1 12 32 3  o 96.66751 3.928390 95.21592       7.594603      96.84536       10.76847      93.58647       10.71179      97.50550 5.521979 95.82951 5.588984 1.675987       7.856780 
1 1 1 12 32 4  o 72.56712 4.799639 54.69956       6.918032      43.86025       9.365732      65.53887       10.18045      65.18435 7.184036 79.94989 6.366771 -14.76554      9.599278 
1 1 1 12 32 5  o 24.39811 7.187174 0.7240377      6.138735      6.050887       8.473083      -4.602811      8.883986      27.78567 10.72836 21.01054 9.566825 6.775135       14.37435 
1 1 1 12 32 6  o 49.63354 6.839203 26.89991       6.549637      27.65087       9.486169      26.15604       9.032760      50.29633 9.779243 48.97075 9.563744 1.325581       13.67841 
1 1 1 12 32 7  o 63.66942 5.542533 42.24498       7.042719      40.82099       10.33631      43.66897       9.571183      62.44916 8.275782 64.88968 7.374967 -2.440521      11.08507 
1 1 1 12 32 8  o 37.22858 8.192210 15.27422       6.982501      9.301972       9.259464      21.23938       10.45675      31.20789 11.39319 43.24928 11.77473 -12.04139      16.38442 
1 1 1 12 32 9  o 55.11020 6.772430 32.99260       7.226208      28.36641       10.34340      37.61879       10.09544      50.42745 10.59226 59.79295 8.441998 -9.365498      13.54486 
1 1 1 12 32 10 o 60.65621 6.277801 39.26948       7.594603      33.03511       10.25130      45.50386       11.20771      55.68064 9.205441 65.63177 8.538324 -9.951130      12.55560 
1 1 1 12 32 11 o 66.07975 5.927014 46.95618       7.637110      58.91484       10.92433      34.99752       10.68345      75.08659 7.274486 57.07291 9.359478 18.01368       11.85403 
1 1 1 12 32 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 32 13 o 66.62479 14.80752 55.54970       19.21321      55.54970       19.21321      ?              ?             66.62479 14.80752 ?        ?        ?              ?        
1 1 1 12 32 14 o 50.97561 6.595496 28.84107       6.481626      27.22580       8.869816      30.46342       9.457831      49.53392 9.296018 52.41731 9.358758 -2.883392      13.19099 
1 1 1 12 32 15 o 20.80356 6.610461 -3.424656      5.906363      -8.841478      7.991336      1.992875       8.699788      17.41871 8.310368 24.18841 10.28254 -6.769697      13.22092 
1 1 1 12 32 16 o 27.91599 7.410456 6.756505       5.929033      1.090307       7.998421      12.41916       8.749379      22.70835 9.762434 33.12362 11.15143 -10.41527      14.82091 
1 1 1 12 32 17 o 66.90855 5.040009 47.80632       6.696995      51.41943       9.011506      44.19322       9.911241      69.81804 6.453566 63.99905 7.743271 5.818985       10.08002 
1 1 1 12 32 18 o 40.92662 6.807504 19.64537       6.354104      32.66671       8.728126      6.624732       9.238212      54.48624 8.009477 27.36700 11.00985 27.11925       13.61501 
1 1 1 12 32 19 o 24.15077 7.323798 0.4021881      6.690619      7.261631       9.500339      -6.458955      9.429493      28.25142 11.24098 20.05013 9.391081 8.201294       14.64760 
1 1 1 12 32 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 32 21 o 55.59954 8.911617 49.31533       10.13795      58.71648       13.09927      39.90709       15.47259      66.24348 9.887217 44.95560 14.82938 21.28788       17.82323 
1 1 1 12 32 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 32 23 o 30.04313 7.393551 11.75322       5.664072      6.353395       7.346645      17.15162       8.621859      24.68545 9.864956 35.40080 11.01549 -10.71535      14.78710 
1 1 1 12 32 24 o 23.89307 6.886485 6.111814       5.246794      3.364437       7.019340      8.862731       7.800055      21.44183 9.179174 26.34431 10.26828 -4.902477      13.77297 
1 1 1 12 32 25 o 21.83607 6.624903 2.818930       5.618731      7.009422       6.787676      -1.371563      8.954830      23.87043 9.500389 19.80172 9.235798 4.068703       13.24981 
1 1 1 12 32 26 o 22.15959 6.749434 5.241126       5.521673      0.2884816      6.755087      10.19462       8.735210      18.33945 8.348334 25.97973 10.60777 -7.640289      13.49887 
1 1 1 12 33 0  o 27.49264 13.62433 11.90907       8.947746      11.90907       8.947746      11.90907       8.947746      27.49264 13.62433 27.49264 13.62433 -0.000000      0.000000 
1 1 1 12 33 1  o 89.47604 4.133196 82.10956       7.396237      81.11773       10.36465      83.03055       10.55593      88.96216 5.825314 89.98994 5.865062 -1.027779      8.266392 
1 1 1 12 33 2  o 26.57911 7.324031 3.564929       6.111105      -3.187325      8.735210      10.31506       8.551013      21.44912 9.662621 31.70910 11.00906 -10.25999      14.64806 
1 1 1 12 33 3  o 28.08635 7.394771 5.120689       6.180533      12.97884       8.770633      -2.738875      8.706873      34.52220 11.16050 21.65051 9.704321 12.87169       14.78954 
1 1 1 12 33 4  o 90.06709 4.864462 84.37660       8.883986      74.74166       10.27255      94.01155       14.49492      85.27496 6.023194 94.85924 7.640228 -9.584282      9.728924 
1 1 1 12 33 5  o 27.63471 8.277444 2.219579       8.175533      -0.4640359E-01 13.47475      4.485208       9.252379      28.27779 12.41422 26.99163 10.95223 1.286156       16.55489 
1 1 1 12 33 6  o 29.80247 8.071934 6.016881       7.297054      -1.939741      10.22296      13.97067       10.41424      23.86926 10.61166 35.73567 12.16623 -11.86640      16.14387 
1 1 1 12 33 7  f 33.58763 15.31550 -3.846893      22.94675      -3.846893      22.94675      ?              ?             33.58763 15.31550 ?        ?        ?              ?        
1 1 1 12 33 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 33 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 33 10 o 74.11971 4.891897 58.15680       7.148279      70.91602       10.35048      45.39051       9.861650      82.64811 6.261777 65.59130 7.517497 17.05681       9.783794 
1 1 1 12 33 11 o 24.25370 6.849083 -2.041050      6.159280      -15.75597      8.402238      11.66820       9.011506      15.70600 7.728212 32.80139 11.30993 -17.09539      13.69817 
1 1 1 12 33 12 o 30.85597 7.674452 9.727042       6.094102      13.79356       8.395153      5.655571       8.841478      34.64932 10.88739 27.06263 10.81914 7.586689       15.34890 
1 1 1 12 33 13 o 27.93374 7.375406 5.990668       6.116773      -1.926280      8.310139      13.90691       8.976085      21.18003 9.487364 34.68745 11.29497 -13.50742      14.75081 
1 1 1 12 33 14 o 31.76946 7.535333 10.88890       5.952412      5.616605       8.416408      16.15978       8.423491      26.49559 10.56836 37.04333 10.74406 -10.54775      15.07067 
1 1 1 12 33 15 o 26.77211 7.376872 5.316222       6.133776      11.25021       8.458915      -0.6189744     8.883986      31.26966 10.94066 22.27457 9.898228 8.995089       14.75374 
1 1 1 12 33 16 o 28.15961 8.174843 6.774216       7.417490      3.496209       9.259464      10.05293       11.58319      25.14281 10.64459 31.17642 12.40987 -6.033611      16.34969 
1 1 1 12 33 17 o 23.04938 7.467002 -3.085308      7.771716      -4.168531      9.719957      -2.002085      12.12869      21.34796 9.826840 24.75080 11.24534 -3.402838      14.93400 
1 1 1 12 33 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 33 19 o 33.17771 7.650248 12.92216       8.055097      -12.78755      9.705790      38.63188       12.84423      16.84091 8.292904 49.51451 12.85819 -32.67361      15.30050 
1 1 1 12 33 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 33 21 o 45.28395 6.721750 25.99310       6.075682      18.71021       7.906322      33.28306       9.224042      37.76822 10.21903 52.79968 8.734941 -15.03146      13.44350 
1 1 1 12 33 22 o 27.14437 7.114409 9.337394       5.355187      4.577307       7.190785      14.09819       7.941744      22.60013 9.464880 31.68860 10.62428 -9.088478      14.22882 
1 1 1 12 33 23 o 14.61807 5.062051 -10.10961      5.019381      -7.268716      6.893944      -12.94341      7.297054      15.28252 7.389059 13.95362 6.920928 1.328898       10.12410 
1 1 1 12 33 24 o 18.12385 5.894393 -0.8912323     4.982541      0.7488335      6.608438      -2.530590      7.459997      18.60215 8.390927 17.64555 8.280569 0.9566059      11.78879 
1 1 1 12 33 25 o 21.00475 6.338314 4.115396       4.940743      7.899237       6.667239      0.3285799      7.297054      23.56021 9.403515 18.44930 8.501223 5.110910       12.67663 
1 1 1 12 34 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 34 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 34 2  o 41.96764 17.61823 17.90966       25.01543      17.90966       25.01543      ?              ?             41.96764 17.61823 ?        ?        ?              ?        
1 1 1 12 34 3  o 35.73663 8.499679 14.26822       7.289969      16.64153       9.790804      11.89491       10.80389      37.85378 11.73041 33.61949 12.30348 4.234283       16.99936 
1 1 1 12 34 4  o 60.75246 7.023347 41.46568       8.253463      31.28523       10.96683      51.64614       12.34832      52.27111 10.85273 69.23383 8.917833 -16.96272      14.04669 
1 1 1 12 34 5  o 42.06282 7.854614 20.50259       6.749420      17.50584       9.436578      23.50643       9.656199      38.90570 11.40013 45.21993 10.80818 -6.314224      15.70923 
1 1 1 12 34 6  o 51.84158 7.112696 30.44217       7.261631      38.57520       10.98100      22.30206       9.500339      59.70933 9.195383 43.97383 10.85388 15.73550       14.22539 
1 1 1 12 34 7  o 28.10457 7.742112 4.269130       6.961247      11.91616       9.039845      -3.380732      10.59135      32.93483 11.33042 23.27431 10.55380 9.660515       15.48422 
1 1 1 12 34 8  f 28.23875 7.627968 5.791594       6.517756      12.73088       9.110690      -1.144858      9.323226      33.58181 11.37936 22.89568 10.16139 10.68613       15.25594 
1 1 1 12 34 9  o 34.26979 7.727427 12.97884       6.500045      4.983250       8.848563      20.98434       9.521592      26.43742 10.71745 42.10216 11.13502 -15.66473      15.45485 
1 1 1 12 34 10 o 36.67949 7.574448 15.26005       6.587184      25.09336       9.571183      5.430283       9.054014      46.41729 10.54693 26.94169 10.87434 19.47560       15.14890 
1 1 1 12 34 11 o 74.50151 4.803470 59.00695       7.134109      65.98520       10.26547      52.03578       9.904156      79.10326 6.488650 69.89977 7.084540 9.203484       9.606940 
1 1 1 12 34 12 o 23.69456 7.484180 -1.859686      7.523758      2.847976       9.436578      -6.566639      11.72488      24.92814 10.65637 22.46098 10.51159 2.467157       14.96836 
1 1 1 12 34 13 o 38.14383 8.322487 17.42083       7.700871      24.71788       9.748297      10.11669       11.93033      44.95150 10.93287 31.33616 12.55100 13.61534       16.64497 
1 1 1 12 34 14 o 38.68025 8.522001 17.61211       8.111773      25.58928       10.26547      9.642029       12.56793      45.78183 11.27165 31.57867 12.78468 14.20316       17.04400 
1 1 1 12 34 15 o 38.50061 11.89334 36.30816       17.54835      21.52985       22.99634      51.08646       26.51735      33.78434 15.38552 43.21688 18.14089 -9.432541      23.78668 
1 1 1 12 34 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 34 17 o 18.75806 6.253419 -6.193994      6.182659      -3.202202      8.303054      -9.188620      9.160281      19.50291 9.017718 18.01320 8.666127 1.489710       12.50684 
1 1 1 12 34 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 34 19 o 45.91558 6.841856 26.59528       6.088435      25.58219       8.437660      27.60837       8.777717      45.03099 9.647927 46.80016 9.703684 -1.769169      13.68371 
1 1 1 12 34 20 o 20.70594 6.440100 0.4137358E-01  5.520965      5.845435       7.410406      -5.762547      8.182618      23.75551 9.746705 17.65636 8.420292 6.099150       12.88020 
1 1 1 12 34 21 o 40.35320 6.905294 22.07536       5.525924      19.90041       7.665448      24.25739       7.962997      38.01904 9.961484 42.68737 9.565626 -4.668339      13.81059 
1 1 1 12 34 22 o 15.94309 5.429216 -5.936826      5.102978      -6.684951      6.840810      -5.187992      7.573349      15.21728 7.358037 16.66890 7.985290 -1.451622      10.85843 
1 1 1 12 34 23 o 29.26919 7.134049 13.48892       5.217039      9.280719       7.039886      17.69004       7.700871      25.06533 9.758104 33.47305 10.40952 -8.407719      14.26810 
1 1 1 12 35 0  o 70.76775 9.005058 54.70665       12.41208      54.70665       12.41208      54.70665       12.41208      70.76775 9.005058 70.76775 9.005058 -0.000000      0.000000 
1 1 1 12 35 1  o 111.0418 4.515208 129.1508       10.02459      133.2598       14.10528      125.0417       14.23988      112.9168 6.245868 109.1667 6.522080 3.750137       9.030416 
1 1 1 12 35 2  o 48.17257 8.311150 27.80673       7.948828      28.14679       11.27855      27.45959       11.20062      48.48692 11.73913 47.85822 11.76833 0.6287041      16.62230 
1 1 1 12 35 3  o 66.36830 6.322764 48.13930       8.388069      48.86900       11.54068      47.40959       12.17120      67.08167 8.601963 65.65495 9.269067 1.426720       12.64553 
1 1 1 12 35 4  o 30.71046 8.156675 8.855647       7.155363      2.106227       9.528677      15.61428       10.66928      25.00673 10.69969 36.41418 12.31430 -11.40744      16.31335 
1 1 1 12 35 5  o 42.04711 7.806406 21.07644       6.672907      18.65354       9.139028      23.49935       9.727042      39.58408 11.09914 44.51015 10.98038 -4.926075      15.61281 
1 1 1 12 35 6  o 22.44494 6.975312 -1.528130      6.313014      -7.445828      8.770633      4.387442       9.082352      18.91492 8.901195 25.97496 10.74191 -7.060041      13.95062 
1 1 1 12 35 7  f 69.61453 5.453929 54.10446       7.261631      73.32476       10.61261      34.86291       9.911241      83.24187 6.374561 55.98719 8.851347 27.25468       10.90786 
1 1 1 12 35 8  o 40.66477 8.747368 21.08352       7.892153      23.50643       10.38590      18.66062       11.88074      43.27817 11.71348 38.05136 12.99462 5.226807       17.49474 
1 1 1 12 35 9  o 55.54317 7.893019 37.56211       8.465999      38.17138       11.49817      36.94576       12.43333      56.54350 10.55977 54.54285 11.73415 2.000652       15.78604 
1 1 1 12 35 10 o 28.66768 8.484299 6.082059       8.189702      5.796553       10.57010      6.367565       12.51834      27.86064 11.55908 29.47473 12.42260 -1.614094      16.96860 
1 1 1 12 35 11 o 35.42327 9.097760 15.54343       8.650196      7.325392       10.88182      23.76856       13.45350      28.89955 11.82639 41.94700 13.82800 -13.04745      18.19552 
1 1 1 12 35 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 35 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 35 14 o 34.30521 8.335992 16.86824       6.952746      14.36740       9.351563      19.36199       10.28672      32.16329 11.47828 36.44714 12.09149 -4.283848      16.67198 
1 1 1 12 35 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 35 16 o 22.63588 6.967008 2.147317       6.099061      6.133067       8.317224      -1.838432      8.926493      24.83918 10.27629 20.43258 9.410344 4.406603       13.93402 
1 1 1 12 35 17 f 26.41185 7.193668 7.459997       5.766797      1.021587       7.807138      13.89982       8.487252      20.95847 9.300478 31.86524 10.97709 -10.90677      14.38734 
1 1 1 12 35 18 o 33.12561 4.991913 5.713664       5.690993      32.77298       7.828392      -21.34565      8.267632      52.94630 7.392766 13.30492 6.709977 39.64138       9.983826 
1 1 1 12 35 19 o 17.20778 5.752467 -4.184825      5.227666      -6.780592      7.083100      -1.588349      7.693786      15.69958 7.569522 18.71597 8.664054 -3.016382      11.50493 
1 1 1 12 35 20 f 36.73265 7.060009 19.47534       5.333225      19.34782       7.204955      19.60286       7.863815      37.09204 9.629435 36.37325 10.32710 0.7187958      14.12002 
1 1 1 12 35 21 o 27.72533 7.147050 12.03660       5.200744      9.812057       7.169532      14.25405       7.537927      25.56789 9.869361 29.88278 10.34007 -4.314886      14.29410 
1 1 1 12 36 0  o 25.80926 13.83550 11.39190       9.684536      11.39190       9.684536      11.39190       9.684536      25.80926 13.83550 25.80926 13.83550 0.000000       0.000000 
1 1 1 12 36 1  o 23.87802 7.352369 0.2398818      6.813890      5.155404       9.330310      -4.675073      9.932493      26.41024 10.90265 21.34579 9.867201 5.064449       14.70474 
1 1 1 12 36 2  o 28.42531 8.046687 6.840102       7.141194      1.775380       9.734127      11.90199       10.44966      24.53272 10.66083 32.31790 12.05584 -7.785179      16.09337 
1 1 1 12 36 3  o 20.04469 6.630765 -9.110690      6.960539      -0.9415324     9.422408      -17.28622      10.25130      22.69151 10.13494 17.39786 8.552845 5.293646       13.26153 
1 1 1 12 36 4  o 40.47263 9.504704 13.38265       12.58919      -5.879441      21.67154      32.65254       12.82298      30.23314 14.17425 50.71212 12.66682 -20.47899      19.00941 
1 1 1 12 36 5  o 30.56018 8.902616 3.677573       9.946663      -14.16904      12.65295      21.52985       15.34507      20.91903 10.09367 40.20133 14.66779 -19.28230      17.80523 
1 1 1 12 36 6  o 41.02124 10.14817 23.30806       10.54885      27.94134       14.16904      18.68187       15.62136      44.64849 14.16046 37.39398 14.54039 7.254517       20.29634 
1 1 1 12 36 7  o 29.49778 14.20415 3.576973       24.74622      3.576973       24.74622      ?              ?             29.49778 14.20415 ?        ?        ?              ?        
1 1 1 12 36 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 36 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 36 10 o 31.78131 9.210000 17.99467       9.719957      7.367898       12.63170      28.61437       14.77122      25.94216 11.65677 37.62046 14.26240 -11.67830      18.42000 
1 1 1 12 36 11 o 26.05374 7.642216 6.086309       6.560264      4.420031       8.883986      7.750463       9.656199      24.63981 10.42883 27.46766 11.17378 -2.827847      15.28443 
1 1 1 12 36 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 36 13 o 24.98307 7.227648 5.533009       6.048053      -0.7098687     8.125941      11.77447       8.961915      20.24759 9.200729 29.71854 11.14909 -9.470951      14.45530 
1 1 1 12 36 14 o 39.24577 7.337968 20.46717       5.899278      17.19412       8.161365      23.74730       8.522675      35.70848 10.63957 42.78306 10.10854 -7.074577      14.67594 
1 1 1 12 36 15 o 20.11842 6.405118 -0.8869816E-01 5.506087      2.961328       7.637110      -3.139150      7.934660      21.71967 9.440741 18.51717 8.658787 3.202496       12.81024 
1 1 1 12 36 16 o 21.41084 6.652238 2.539800       5.546469      -0.2133857     7.523758      5.292843       8.147196      19.42459 8.833807 23.39708 9.948513 -3.972488      13.30448 
1 1 1 12 36 17 o 19.34283 6.226020 0.1540883      5.319056      -2.538383      7.204955      2.846559       7.828392      17.55977 8.221830 21.12590 9.351727 -3.566130      12.45204 
1 1 1 12 36 18 o 16.68155 5.619418 -4.897527      5.211371      -9.422408      7.098687      -0.3732832     7.630026      14.52974 7.134600 18.83336 8.683830 -4.303620      11.23884 
1 1 1 12 36 19 o 22.83688 6.529153 5.805762       5.105812      -1.521755      6.910239      13.13470       7.516674      17.20597 8.055413 28.46778 10.27763 -11.26180      13.05831 
1 1 1 12 37 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 37 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 37 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 37 3  o 40.91902 8.576872 27.33207       8.090520      38.44768       12.08619      16.22355       10.76138      50.24995 12.14354 31.58810 12.11550 18.66185       17.15374 
1 1 1 12 37 4  o 22.59501 7.175413 0.5703745      6.837267      -3.383566      9.493254      4.524882       9.840395      20.40087 9.512982 24.78915 10.74474 -4.388275      14.35083 
1 1 1 12 37 5  o 31.58743 8.129652 12.53251       6.901029      17.42792       9.804973      7.637110       9.712874      35.81626 11.80497 27.35861 11.18068 8.457655       16.25930 
1 1 1 12 37 6  o 35.81623 8.126904 17.29331       6.743044      12.56793       9.075267      22.02577       9.975000      31.29643 11.29359 40.33603 11.68936 -9.039598      16.25381 
1 1 1 12 37 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 37 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 12 37 9  o 32.94162 7.950029 14.88457       6.513506      10.92433       9.472000      18.83773       8.940661      29.04940 11.31688 36.83384 11.16871 -7.784445      15.90006 
1 1 1 12 37 10 o 20.23469 6.606217 -2.993209      6.351979      0.8076350      8.756464      -6.793344      9.209873      21.76920 9.745352 18.70019 8.921690 3.069010       13.21243 
1 1 1 12 37 11 o 24.73655 7.497618 2.207536       7.495420      10.42841       9.046929      -6.013339      11.95867      28.23920 11.04797 21.23390 10.13901 7.005302       14.99524 
1 1 1 12 37 12 o 37.76755 6.556056 15.38757       7.615856      -9.372816      11.12269      40.14088       10.41424      19.19720 9.300575 56.33790 9.242661 -37.14070      13.11211 
1 1 1 12 37 13 o 20.57116 6.587715 0.1297884      5.943202      -6.245711      7.502505      6.505004       9.216957      16.50434 7.916423 24.63798 10.53196 -8.133640      13.17543 
1 1 1 12 37 14 o 27.31606 7.449025 10.32214       6.100478      13.33306       7.715039      7.304138       9.450747      29.91696 10.45033 24.71517 10.61802 5.201794       14.89805 
1 1 1 12 37 15 o 22.49900 6.775257 5.294260       5.422490      6.895361       7.318307      3.692451       7.998421      23.51118 9.672826 21.48683 9.489619 2.024355       13.55051 
1 1 1 12 37 16 o 30.53072 7.240588 14.64370       5.396986      10.52759       7.495420      18.76689       7.764632      26.24239 10.09917 34.81904 10.37840 -8.576651      14.48118 
1 1 1 12 37 17 o 24.19394 6.651211 7.941744       5.183742      0.3412612      7.105771      15.54343       7.545012      18.06816 8.349710 30.31973 10.35552 -12.25157      13.30242 
1 1 1 12 38 0  o 41.00146 12.78044 23.69771       9.160281      23.69771       9.160281      23.69771       9.160281      41.00146 12.78044 41.00146 12.78044 0.000000       0.000000 
1 1 1 12 38 1  o 24.30852 7.337201 4.201119       6.463914      -0.9457831     8.515590      9.351563       9.727042      20.61456 9.381130 28.00247 11.28417 -7.387909      14.67440 
1 1 1 12 38 2  o 28.40323 7.955165 9.535762       6.894653      6.052303       10.04585      13.02134       9.443663      25.82416 11.01577 30.98230 11.48004 -5.158148      15.91033 
1 1 1 12 38 3  o 23.80442 7.450169 2.635441       7.066806      0.4033924E-01  9.967916      5.231208       10.01751      22.36301 10.16954 25.24583 10.89039 -2.882826      14.90034 
1 1 1 12 38 4  o 29.00697 8.297623 10.81097       7.736294      19.33365       12.40499      2.286882       9.259464      35.10324 13.12738 22.91069 10.15254 12.19254       16.59525 
1 1 1 12 38 5  o 18.83016 6.388173 -8.735210      7.020049      -2.383232      10.11669      -15.08294      9.734127      21.13099 9.840629 16.52934 8.148438 4.601650       12.77635 
1 1 1 12 38 6  o 19.97739 6.538372 -5.094476      6.660155      -13.41808      10.18754      3.229832       8.579351      17.32265 8.519196 22.63214 9.920915 -5.309488      13.07674 
1 1 1 12 38 7  o 23.46130 7.106364 4.858562       5.966581      5.745543       8.288886      3.971580       8.586436      23.98386 10.10845 22.93873 9.991035 1.045126       14.21273 
1 1 1 12 38 8  o 22.41234 6.833646 3.674739       5.661947      6.332850       7.877984      1.015920       8.133026      24.12023 9.991419 20.70445 9.325579 3.415773       13.66729 
1 1 1 12 38 9  o 21.04050 6.620426 2.072222       5.627941      2.433532       7.863815      1.710911       8.048012      21.19496 9.378784 20.88604 9.346581 0.3089199      13.24085 
1 1 1 12 38 10 o 25.48019 6.823965 6.859231       5.584017      -2.913862      7.601687      16.63445       8.182618      17.82740 8.364634 33.13299 10.78420 -15.30559      13.64793 
1 1 1 12 38 11 o 28.49107 6.920956 11.27855       5.374315      3.525256       7.403321      19.02901       7.792970      21.10788 9.234575 35.87426 10.31121 -14.76638      13.84191 
1 1 1 12 38 12 o 25.98165 7.133820 9.741212       5.472790      13.88566       8.062181      5.588267       7.403321      29.59410 10.64801 22.36920 9.496597 7.224907       14.26764 
1 1 1 12 38 13 o 37.60912 7.502799 22.26664       5.907071      23.67646       8.933578      20.86390       7.729208      38.10596 11.06857 37.11227 10.13187 0.9936905      15.00560 
1 1 1 12 38 14 o 22.10929 6.224240 -0.1272379     5.594644      -16.25188      8.182618      15.99684       7.630026      13.55516 6.820519 30.66341 10.41370 -17.10825      12.44848 
1 1 1 12 39 0  o 15.23801 10.14910 1.058427       7.991336      1.058427       7.991336      1.058427       7.991336      15.23801 10.14910 15.23801 10.14910 -0.000000      0.000000 
1 1 1 12 39 1  o 21.82670 6.676938 2.741000       5.677533      -3.215663      7.970083      8.699788       8.090520      18.08875 8.504500 25.56466 10.29560 -7.475903      13.35388 
1 1 1 12 39 2  o 22.45756 6.775673 4.697744       5.463580      1.700284       7.573349      7.693786       7.877984      20.26019 9.066635 24.65493 10.07150 -4.394732      13.55135 
1 1 1 12 39 3  o 15.47091 5.357996 -10.18754      5.557804      -14.66495      7.679617      -5.712247      8.040927      13.87175 6.911001 17.07006 8.189662 -3.198309      10.71599 
1 1 1 12 39 4  o 26.37483 7.140584 8.883986       5.826308      16.42191       8.366816      1.342516       8.104689      32.43030 10.90490 20.31935 9.221433 12.11095       14.28117 
1 1 1 12 39 5  o 25.76177 7.497880 9.486169       6.284676      5.238293       8.012589      13.72979       9.684536      22.58039 9.740184 28.94315 11.40182 -6.362768      14.99576 
1 1 1 12 39 6  o 29.51964 7.354837 12.35540       6.281842      20.48843       8.338477      4.218830       9.401155      36.57301 10.71624 22.46627 10.07655 14.10674       14.70967 
1 1 1 12 39 7  o 19.94931 6.589765 -0.3943242     6.488001      -0.1974455     9.089437      -0.5912738     9.259464      19.98140 9.313924 19.91722 9.324741 0.6417656E-01  13.17953 
1 1 1 12 39 8  o 21.74693 6.885164 3.139150       6.424241      -1.690366      9.358648      7.970083       8.806056      19.35059 9.132060 24.14326 10.30667 -4.792667      13.77033 
1 1 1 12 39 9  o 20.27768 6.550038 1.110852       6.138027      -5.600311      8.444746      7.821308       8.905238      16.91389 8.177858 23.64147 10.23399 -6.727577      13.10008 
1 1 1 12 39 10 o 18.49389 6.174878 -0.3829890     5.927616      3.949619       9.372816      -4.715455      7.261631      21.10268 9.686925 15.88510 7.660284 5.217582       12.34976 
1 1 1 12 40 0  o 15.33892 10.07205 2.816096       7.474166      2.816096       7.474166      2.816096       7.474166      15.33892 10.07205 15.33892 10.07205 0.000000       0.000000 
1 1 1 12 40 1  o 17.14339 5.782474 -3.625148      5.635026      0.1703118      7.594603      -7.417490      8.331393      18.31348 8.527630 15.97331 7.812013 2.340169       11.56495 
1 1 1 12 40 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 0  1  o 497.0476 5.316382 2472.497       52.83634      2472.497       52.83634      2472.497       52.83634      497.0476 5.316382 497.0476 5.316382 -0.000000      0.000000 
1 1 1 13 0  2  o 103.8759 2.563074 108.1097       5.317639      108.1097       5.317639      108.1097       5.317639      103.8759 2.563074 103.8759 2.563074 -0.000000      0.000000 
1 1 1 13 0  3  o 628.0422 6.594979 3948.202       82.81801      3948.202       82.81801      3948.202       82.81801      628.0422 6.594979 628.0422 6.594979 0.000000       0.000000 
1 1 1 13 0  4  o 35.15785 5.340498 12.95050       3.572722      12.95050       3.572722      12.95050       3.572722      35.15785 5.340498 35.15785 5.340498 0.000000       0.000000 
1 1 1 13 0  5  o 701.7847 7.320665 4930.116       102.7255      4930.116       102.7255      4930.116       102.7255      701.7847 7.320665 701.7847 7.320665 0.000000       0.000000 
1 1 1 13 0  6  o 373.6640 4.163738 1397.067       31.10812      1397.067       31.10812      1397.067       31.10812      373.6640 4.163738 373.6640 4.163738 -0.000000      0.000000 
1 1 1 13 0  7  o 303.9768 3.549441 924.5295       21.57236      924.5295       21.57236      924.5295       21.57236      303.9768 3.549441 303.9768 3.549441 0.000000       0.000000 
1 1 1 13 0  8  o 297.2652 3.502058 884.1478       20.81431      884.1478       20.81431      884.1478       20.81431      297.2652 3.502058 297.2652 3.502058 0.000000       0.000000 
1 1 1 13 0  9  o 145.1794 2.534360 210.9769       7.353730      210.9769       7.353730      210.9769       7.353730      145.1794 2.534360 145.1794 2.534360 -0.000000      0.000000 
1 1 1 13 0  10 o 150.8504 2.535301 227.7673       7.644195      227.7673       7.644195      227.7673       7.644195      150.8504 2.535301 150.8504 2.535301 -0.000000      0.000000 
1 1 1 13 0  11 o 82.90342 2.820763 68.97487       4.665155      68.97487       4.665155      68.97487       4.665155      82.90342 2.820763 82.90342 2.820763 -0.000000      0.000000 
1 1 1 13 0  12 o 315.0713 3.665116 993.2495       23.08844      993.2495       23.08844      993.2495       23.08844      315.0713 3.665116 315.0713 3.665116 -0.000000      0.000000 
1 1 1 13 0  13 o 311.6829 3.637894 971.9959       22.67046      971.9959       22.67046      971.9959       22.67046      311.6829 3.637894 311.6829 3.637894 -0.000000      0.000000 
1 1 1 13 0  14 o 545.2654 5.818357 2975.498       63.43477      2975.498       63.43477      2975.498       63.43477      545.2654 5.818357 545.2654 5.818357 0.000000       0.000000 
1 1 1 13 0  15 o 29.02185 9.956950 10.95267       5.185159      10.95267       5.185159      10.95267       5.185159      29.02185 9.956950 29.02185 9.956950 -0.000000      0.000000 
1 1 1 13 0  16 o 266.7633 6.751162 713.4109       35.96810      713.4109       35.96810      713.4109       35.96810      266.7633 6.751162 266.7633 6.751162 0.000000       0.000000 
1 1 1 13 0  17 o 574.1348 8.648188 3302.094       99.25409      3302.094       99.25409      3302.094       99.25409      574.1348 8.648188 574.1348 8.648188 -0.000000      0.000000 
1 1 1 13 0  18 o 17.83503 9.989239 4.356979       5.284342      4.356979       5.284342      4.356979       5.284342      17.83503 9.989239 17.83503 9.989239 -0.000000      0.000000 
1 1 1 13 0  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 0  20 o 260.7445 3.794780 680.5388       19.77997      680.5388       19.77997      680.5388       19.77997      260.7445 3.794780 260.7445 3.794780 0.000000       0.000000 
1 1 1 13 0  21 o 359.9646 4.724318 1297.175       33.99860      1297.175       33.99860      1297.175       33.99860      359.9646 4.724318 359.9646 4.724318 -0.000000      0.000000 
1 1 1 13 0  22 o 224.7408 3.493066 505.6929       15.69221      505.6929       15.69221      505.6929       15.69221      224.7408 3.493066 224.7408 3.493066 0.000000       0.000000 
1 1 1 13 0  23 o 179.0322 3.217479 320.9995       11.51234      320.9995       11.51234      320.9995       11.51234      179.0322 3.217479 179.0322 3.217479 0.000000       0.000000 
1 1 1 13 0  24 o 203.8881 3.313355 416.2863       13.50309      416.2863       13.50309      416.2863       13.50309      203.8881 3.313355 203.8881 3.313355 -0.000000      0.000000 
1 1 1 13 0  25 o 412.8967 5.325281 1708.786       43.95943      1708.786       43.95943      1708.786       43.95943      412.8967 5.325281 412.8967 5.325281 0.000000       0.000000 
1 1 1 13 0  26 o 171.9246 2.803752 295.9911       9.634944      295.9911       9.634944      295.9911       9.634944      171.9246 2.803752 171.9246 2.803752 -0.000000      0.000000 
1 1 1 13 0  27 o 70.65415 3.422818 50.32842       4.812513      50.32842       4.812513      50.32842       4.812513      70.65415 3.422818 70.65415 3.422818 -0.000000      0.000000 
1 1 1 13 0  28 o 126.5536 2.784102 160.5352       7.039177      160.5352       7.039177      160.5352       7.039177      126.5536 2.784102 126.5536 2.784102 0.000000       0.000000 
1 1 1 13 0  29 o 205.9702 2.992132 425.0002       12.31998      425.0002       12.31998      425.0002       12.31998      205.9702 2.992132 205.9702 2.992132 -0.000000      0.000000 
1 1 1 13 0  30 o 82.82127 3.278344 69.02446       5.411863      69.02446       5.411863      69.02446       5.411863      82.82127 3.278344 82.82127 3.278344 0.000000       0.000000 
1 1 1 13 0  31 o 72.66503 3.479595 53.27557       5.032133      53.27557       5.032133      53.27557       5.032133      72.66503 3.479595 72.66503 3.479595 -0.000000      0.000000 
1 1 1 13 0  32 o 191.4002 2.979405 367.1906       11.39899      367.1906       11.39899      367.1906       11.39899      191.4002 2.979405 191.4002 2.979405 0.000000       0.000000 
1 1 1 13 0  33 o 28.48682 9.331045 10.45675       4.694910      10.45675       4.694910      10.45675       4.694910      28.48682 9.331045 28.48682 9.331045 0.000000       0.000000 
1 1 1 13 0  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 0  35 o 120.6483 3.237720 146.2953       7.800055      146.2953       7.800055      146.2953       7.800055      120.6483 3.237720 120.6483 3.237720 0.000000       0.000000 
1 1 1 13 0  36 o 59.98016 4.586260 36.85366       5.438076      36.85366       5.438076      36.85366       5.438076      59.98016 4.586260 59.98016 4.586260 0.000000       0.000000 
1 1 1 13 0  37 o 68.62373 4.337017 48.01886       5.903528      48.01886       5.903528      48.01886       5.903528      68.62373 4.337017 68.62373 4.337017 -0.000000      0.000000 
1 1 1 13 0  38 o 70.03439 4.245542 50.00253       5.901403      50.00253       5.901403      50.00253       5.901403      70.03439 4.245542 70.03439 4.245542 -0.000000      0.000000 
1 1 1 13 0  39 o 83.26521 3.742059 70.32092       6.204620      70.32092       6.204620      70.32092       6.204620      83.26521 3.742059 83.26521 3.742059 -0.000000      0.000000 
1 1 1 13 0  40 o 156.2154 3.154759 246.1162       9.847479      246.1162       9.847479      246.1162       9.847479      156.2154 3.154759 156.2154 3.154759 0.000000       0.000000 
1 1 1 13 0  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 0  42 o 8.376831 6.012558 -5.117147      4.267005      -5.117147      4.267005      -5.117147      4.267005      8.376831 6.012558 8.376831 6.012558 -0.000000      0.000000 
1 1 1 13 0  43 o 120.9568 2.994101 148.7040       7.233293      148.7040       7.233293      148.7040       7.233293      120.9568 2.994101 120.9568 2.994101 0.000000       0.000000 
1 1 1 13 0  44 o 55.84901 4.208140 32.87216       4.647444      32.87216       4.647444      32.87216       4.647444      55.84901 4.208140 55.84901 4.208140 -0.000000      0.000000 
1 1 1 13 1  0  o 445.2244 4.829048 1983.665       42.98885      1983.665       42.98885      1983.665       42.98885      445.2244 4.829048 445.2244 4.829048 0.000000       0.000000 
1 1 1 13 1  1  o 455.7072 3.479505 2077.889       31.71030      2074.347       44.80249      2082.140       44.89459      455.2800 4.920323 456.1343 4.921203 -0.8543396     6.959009 
1 1 1 13 1  2  o 527.4664 3.967215 2784.924       41.85533      2812.554       59.75082      2757.294       58.62439      530.0807 5.636013 524.8521 5.584848 5.228577       7.934429 
1 1 1 13 1  3  o 254.4565 2.217205 647.7375       11.28564      657.2307       16.15978      638.1733       15.75597      256.3279 3.152170 252.5851 3.118943 3.742859       4.434409 
1 1 1 13 1  4  o 766.8117 5.634625 5890.068       86.43112      5910.613       122.6330      5870.232       121.7829      768.1235 7.982636 765.4999 7.954466 2.623657       11.26925 
1 1 1 13 1  5  o 398.6571 3.105642 1589.766       24.76039      1574.180       34.72122      1606.060       35.31632      396.6596 4.376703 400.6546 4.407327 -3.995026      6.211285 
1 1 1 13 1  6  o 302.1426 2.498998 913.1944       15.10419      906.1099       21.22522      920.2789       21.48734      300.9708 3.526126 303.3144 3.542091 -2.343628      4.997997 
1 1 1 13 1  7  o 551.0140 4.132944 3038.550       45.54636      3059.803       64.82334      3017.296       64.00153      552.9399 5.861698 549.0882 5.827983 3.851746       8.265887 
1 1 1 13 1  8  o 314.7750 2.579335 991.1240       16.23771      983.3311       22.78381      998.9170       23.14512      313.5378 3.633343 316.0122 3.662061 -2.474396      5.158670 
1 1 1 13 1  9  o 533.8857 4.015486 2852.227       42.87550      2869.230       60.98354      2835.224       60.28925      535.4761 5.694327 532.2953 5.663138 3.180786       8.030972 
1 1 1 13 1  10 o 99.32964 2.035890 98.89986       4.015504      108.1806       5.442327      89.61916       5.906363      104.0020 2.616452 94.65723 3.119869 9.344810       4.071781 
1 1 1 13 1  11 o 364.5781 2.893029 1329.764       21.09769      1314.178       29.51410      1345.350       30.15171      362.4422 4.071560 366.7141 4.111065 -4.271881      5.786057 
1 1 1 13 1  12 o 609.2090 5.235976 3715.830       63.80317      3703.786       89.83168      3727.874       90.61098      608.2238 7.384757 610.1943 7.424765 -1.970520      10.47195 
1 1 1 13 1  13 o 188.0738 2.238402 353.9425       8.423491      368.4658       12.27038      339.4193       11.54776      191.9337 3.196517 184.2140 3.134334 7.719666       4.476804 
1 1 1 13 1  14 o 308.7047 2.763935 953.5761       17.03118      981.2057       22.88299      925.9465       25.24214      313.1859 3.653260 304.2234 4.148619 8.962524       5.527870 
1 1 1 13 1  15 o 536.7476 7.204984 2894.026       78.49645      3114.354       134.0391      2672.989       81.89703      556.9387 12.03356 516.5564 7.927211 40.38232       14.40997 
1 1 1 13 1  16 o 228.1209 2.819757 520.5704       12.86548      519.5077       19.73038      521.7039       16.50693      227.8720 4.329268 228.3699 3.614076 -0.4979095     5.639513 
1 1 1 13 1  17 o 146.5325 2.423487 214.9443       7.105771      226.4212       10.24421      203.4673       9.840395      150.4477 3.404577 142.6173 3.449929 7.830338       4.846974 
1 1 1 13 1  18 o 225.2889 2.538709 508.6684       11.46984      466.4446       15.14670      550.8921       17.22955      215.9247 3.507403 234.6531 3.671281 -18.72835      5.077418 
1 1 1 13 1  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 1  20 o 214.5564 2.431103 460.6354       10.43549      468.6408       14.90582      452.6298       14.60119      216.4208 3.443714 212.6920 3.432473 3.728745       4.862205 
1 1 1 13 1  21 o 178.2795 2.533545 318.1657       9.075267      304.4926       11.12978      331.9097       14.33906      174.4500 3.189961 182.1090 3.936946 -7.658936      5.067090 
1 1 1 13 1  22 o 226.9633 2.342986 515.6112       10.64095      513.8401       14.03443      517.3115       15.98976      226.5938 3.096826 227.3327 3.516818 -0.7389374     4.685973 
1 1 1 13 1  23 o 377.4204 3.256001 1427.530       24.60453      1406.985       31.88741      1448.075       37.47710      374.7622 4.254353 380.0786 4.930177 -5.316376      6.512002 
1 1 1 13 1  24 o 129.8235 2.081379 168.8241       5.392026      177.8214       7.396237      159.8267       7.842561      133.2924 2.774441 126.3547 3.103392 6.937729       4.162759 
1 1 1 13 1  25 o 219.0973 2.466752 481.3221       10.83931      514.4068       16.32981      448.3083       14.26113      226.6162 3.602966 211.5784 3.370177 15.03786       4.933504 
1 1 1 13 1  26 o 223.5208 2.493113 500.6629       11.15103      515.2570       16.32981      486.0688       15.19629      226.7702 3.600520 220.2713 3.449449 6.498917       4.986225 
1 1 1 13 1  27 o 94.00474 2.403604 88.62732       4.508587      84.23491       6.551054      93.01972       6.196119      91.66245 3.573467 96.34703 3.215522 -4.684586      4.807207 
1 1 1 13 1  28 o 89.53744 2.464518 80.40928       4.406570      76.51279       6.302387      84.37660       6.161405      87.33890 3.608007 91.73598 3.358227 -4.397079      4.929037 
1 1 1 13 1  29 f 131.2956 2.184885 172.8622       5.729958      170.0993       8.692703      175.5544       7.467082      130.2322 3.337388 132.3590 2.820769 -2.126816      4.369771 
1 1 1 13 1  30 o 155.5706 2.178771 242.7156       6.787676      245.8328       10.43549      239.5984       8.678535      156.5324 3.333333 154.6089 2.806610 1.923538       4.357542 
1 1 1 13 1  31 o 237.4157 2.482087 566.1947       11.80989      579.4427       18.22138      552.9466       15.02626      240.1071 3.794428 234.7243 3.200832 5.382767       4.964173 
1 1 1 13 1  32 o 151.8738 2.230032 231.5220       6.773507      231.4512       10.37173      231.5220       8.713958      151.8151 3.415911 151.9326 2.867705 -0.1175385     4.460064 
1 1 1 13 1  33 o 191.3242 2.370944 367.6865       9.068183      366.6946       13.82898      368.6783       11.73905      190.9956 3.620234 191.6529 3.062580 -0.6572418     4.741887 
1 1 1 13 1  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 1  35 o 67.96248 3.259423 46.95618       4.480958      53.27557       7.148279      40.62971       5.410447      72.50288 4.929652 63.42208 4.265429 9.080799       6.518846 
1 1 1 13 1  36 o 39.25896 5.040848 16.20938       3.887275      17.20829       6.071432      15.21046       4.856437      40.03351 7.863164 38.48442 6.309615 1.549095       10.08170 
1 1 1 13 1  37 o 45.63377 4.556667 21.57944       4.182700      22.97509       6.583642      20.18379       5.161071      46.97012 7.008331 44.29742 5.825476 2.672691       9.113335 
1 1 1 13 1  38 o 69.73659 3.273714 49.62704       4.559595      49.18072       7.054762      50.07337       5.778841      69.27640 5.091751 70.19678 4.116173 -0.9203796     6.547427 
1 1 1 13 1  39 o 46.59524 6.300590 24.47701       5.535842      14.05568       9.719957      34.90542       5.303470      34.82307 11.75369 58.36740 4.543178 -23.54433      12.60118 
1 1 1 13 1  40 o 111.0635 2.641253 125.9627       5.885818      130.7802       9.188620      121.0744       7.360813      112.9988 4.065803 109.1282 3.372553 3.870621       5.282506 
1 1 1 13 1  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 1  42 o 118.0203 2.733573 144.7367       6.482334      150.3335       10.73304      139.2108       7.268716      119.5176 4.490154 116.5230 3.119005 2.994598       5.467145 
1 1 1 13 1  43 o 38.29447 4.195912 16.56360       3.117188      14.06277       4.313763      19.07152       4.501503      34.85665 6.429225 41.73230 5.393309 -6.875645      8.391825 
1 1 1 13 1  44 o 27.36008 5.352477 9.677451       3.027923      9.443663       4.161446      9.911241       4.400194      27.12348 7.447468 27.59668 7.689684 -0.4731979     10.70495 
1 1 1 13 2  0  o 52.75793 3.783556 28.26723       3.951036      28.26723       3.951036      28.26723       3.951036      52.75793 3.783556 52.75793 3.783556 -0.000000      0.000000 
1 1 1 13 2  1  o 146.4024 1.779323 214.3775       5.209246      214.2358       7.396237      214.5192       7.339560      146.3539 2.526833 146.4509 2.505809 -0.9700012E-01 3.558646 
1 1 1 13 2  2  o 552.3953 4.140090 3054.136       45.73765      3049.885       64.58246      3059.095       64.78791      551.9794 5.850080 552.8112 5.859859 -0.8318481     8.280179 
1 1 1 13 2  3  o 220.0199 2.049059 484.2976       9.018591      473.6000       12.53251      494.9244       12.97175      217.5978 2.879742 222.4420 2.915760 -4.844223      4.098118 
1 1 1 13 2  4  o 271.4608 2.321014 737.4984       12.60336      729.7053       17.67587      744.5828       17.96634      270.0913 3.272203 272.8303 3.292585 -2.738983      4.642029 
1 1 1 13 2  5  o 406.4790 3.159228 1653.526       25.68846      1630.856       35.87600      1675.488       36.76865      403.7365 4.442997 409.2215 4.492512 -5.485046      6.318457 
1 1 1 13 2  6  o 230.1537 2.260207 529.9219       10.38590      516.4614       15.41591      543.3826       13.92816      227.2266 3.392189 233.0808 2.987840 -5.854218      4.520413 
1 1 1 13 2  7  o 320.8913 2.616368 1030.089       16.79031      1013.794       23.42141      1046.383       24.07319      318.3537 3.678521 323.4289 3.721559 -5.075165      5.232735 
1 1 1 13 2  8  o 72.08746 2.152384 52.00036       3.101602      49.74749       4.355562      54.25324       4.417905      70.52496 3.087957 73.64997 2.999258 -3.125008      4.304768 
1 1 1 13 2  9  o 102.8003 1.874978 105.9135       3.853269      97.05790       5.309138      114.6983       5.585434      98.51068 2.694702 107.0899 2.607825 -8.579216      3.749956 
1 1 1 13 2  10 o 216.9311 2.212119 470.6953       9.599521      471.1205       12.53251      470.2703       14.53743      217.0326 2.887242 216.8296 3.352271 0.2030487      4.424239 
1 1 1 13 2  11 o 288.3156 2.798026 831.7224       16.14561      809.7604       22.15329      853.6844       23.48518      284.5101 3.893234 292.1210 4.019769 -7.610901      5.596053 
1 1 1 13 2  12 o 716.1780 5.706816 5136.275       81.75533      5132.025       106.9054      5140.526       123.6957      715.9537 7.465943 716.4022 8.633117 -0.4485474     11.41363 
1 1 1 13 2  13 o 592.2477 4.776651 3511.087       56.57696      3504.003       73.89152      3518.172       85.72267      591.6934 6.244072 592.8021 7.230294 -1.108765      9.553303 
1 1 1 13 2  14 o 67.51405 2.565720 45.69514       3.488416      41.48693       4.366188      49.90334       5.441618      64.40018 3.389888 70.62791 3.852314 -6.227722      5.131439 
1 1 1 13 2  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 2  16 o 100.5388 2.538180 101.0961       5.102270      103.7882       7.204955      98.47480       7.226208      101.8601 3.536692 99.21752 3.641599 2.642563       5.076360 
1 1 1 13 2  17 o 516.1814 4.248049 2667.321       43.83900      2680.781       57.59005      2653.860       66.11272      517.5234 5.564004 514.8394 6.420712 2.684021       8.496099 
1 1 1 13 2  18 o 83.91237 2.843954 70.47678       4.773548      69.01737       6.641736      71.90786       6.858521      83.05202 3.998540 84.77272 4.045241 -1.720703      5.687908 
1 1 1 13 2  19 o 553.7603 7.283862 3081.057       80.33842      3006.669       129.2924      3155.444       95.42845      546.6699 11.82546 560.8507 8.507474 -14.18079      14.56772 
1 1 1 13 2  20 o 383.7441 3.923187 1474.997       30.03835      1435.323       45.60304      1514.670       39.11362      378.5326 6.023661 388.9556 5.028032 -10.42303      7.846375 
1 1 1 13 2  21 o 249.8866 2.644805 624.9253       13.21971      631.3722       19.06444      618.4784       18.32056      251.1728 3.795084 248.6004 3.684741 2.572388       5.289610 
1 1 1 13 2  22 o 267.0754 2.753823 714.1194       14.70746      693.9993       20.63720      734.6645       20.96309      263.2715 3.919376 270.8793 3.869452 -7.607788      5.507647 
1 1 1 13 2  23 o 207.4599 2.432363 430.8804       10.08835      426.4880       14.48784      435.3436       14.04860      206.3890 3.509838 208.5308 3.368470 -2.141830      4.864726 
1 1 1 13 2  24 o 129.8345 2.267046 169.0366       5.878733      155.5052       8.196787      182.5680       8.430575      124.6256 3.288565 135.0434 3.121432 -10.41784      4.534093 
1 1 1 13 2  25 o 115.4552 2.571836 133.8265       6.007671      145.5869       9.797889      121.9954       6.959122      120.5301 4.064497 110.3803 3.152338 10.14983       5.143673 
1 1 1 13 2  26 o 81.68613 2.569122 66.95577       4.211038      72.04955       6.366147      61.86910       5.513880      84.78989 3.754072 78.58235 3.508345 6.207542       5.138243 
1 1 1 13 2  27 o 212.1446 2.431356 451.1421       10.31506      454.3301       14.93416      447.9540       14.23988      212.8838 3.507585 211.4053 3.367909 1.478485       4.862712 
1 1 1 13 2  28 o 116.7845 2.295707 136.8020       5.354478      131.8429       7.764632      141.6904       7.374983      114.6690 3.385670 118.8999 3.101341 -4.230873      4.591413 
1 1 1 13 2  29 o 174.2053 2.324770 304.3509       8.097604      305.1302       11.85240      303.5716       11.04476      174.4112 3.397831 173.9993 3.173795 0.4119110      4.649541 
1 1 1 13 2  30 o 65.45841 2.994986 43.13054       3.935450      46.08479       5.990668      40.16921       5.105103      67.68993 4.425081 63.22689 4.037130 4.463047       5.989972 
1 1 1 13 2  31 o 109.8944 2.400154 121.2869       5.268047      117.9572       7.715039      124.6167       7.176617      108.3631 3.559808 111.4256 3.220361 -3.062515      4.800309 
1 1 1 13 2  32 o 151.1232 2.352365 229.3258       7.112856      232.5139       10.52759      226.1378       9.571183      152.1487 3.459641 150.0977 3.188318 2.050934       4.704730 
1 1 1 13 2  33 o 200.7874 2.532301 405.2344       10.16628      403.4633       14.74997      407.0056       13.99901      200.3194 3.681612 201.2555 3.477920 -0.9360657     5.064602 
1 1 1 13 2  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 2  35 o 138.7294 2.323847 193.6907       6.456121      188.5899       8.721042      198.7207       9.514507      136.9402 3.184252 140.5186 3.385499 -3.578369      4.647695 
1 1 1 13 2  36 f 74.31313 2.875328 55.89685       4.278340      52.53170       5.799386      59.26908       6.291052      72.08078 4.022838 76.54546 4.109357 -4.464684      5.750656 
1 1 1 13 2  37 o 121.0401 2.458056 148.0664       5.939660      154.6550       8.218040      141.5487       8.579351      123.7741 3.319774 118.3060 3.625914 5.468056       4.916111 
1 1 1 13 2  38 o 73.64057 2.936491 55.13172       4.327223      53.90610       5.897861      56.36443       6.334267      72.84953 4.047975 74.43161 4.255092 -1.582077      5.872981 
1 1 1 13 2  39 o 67.21704 3.096508 46.42484       4.155778      40.37467       5.656987      52.47503       6.089143      62.77374 4.505855 71.66034 4.248614 -8.886597      6.193017 
1 1 1 13 2  40 o 72.13766 3.304187 53.69356       4.756546      55.51429       6.410071      51.87284       7.028550      73.50381 4.360366 70.77150 4.965664 2.732315       6.608375 
1 1 1 13 2  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 2  42 o 52.30137 4.059977 29.69830       4.235834      31.80240       5.960205      27.59420       6.019715      54.33475 5.484708 50.26798 5.987624 4.066776       8.119954 
1 1 1 13 2  43 o 32.89406 5.599031 13.49601       3.655611      15.29548       5.281508      11.70362       5.056929      35.34532 7.685928 30.44281 8.143901 4.902512       11.19806 
1 1 1 13 2  44 f 14.52361 4.786070 -2.031840      3.394901      -2.176364      5.053387      -1.888024      4.535509      14.80775 6.918741 14.23946 6.614900 0.5682945      9.572141 
1 1 1 13 3  0  o 209.0029 2.838330 437.1147       11.85948      437.1147       11.85948      437.1147       11.85948      209.0029 2.838330 209.0029 2.838330 -0.000000      0.000000 
1 1 1 13 3  1  o 314.1977 2.578113 987.5818       16.20229      990.4156       22.98217      984.7480       22.84048      314.6483 3.652043 313.7471 3.639952 0.9011841      5.156226 
1 1 1 13 3  2  f 273.1479 2.336014 746.7082       12.75922      755.2096       18.21429      737.4984       17.88132      274.7682 3.314484 271.5276 3.292726 3.240540       4.672029 
1 1 1 13 3  3  o 243.6426 2.173260 593.7534       10.59135      587.1649       14.84915      600.4129       15.10419      242.2838 3.064413 245.0015 3.082470 -2.717682      4.346521 
1 1 1 13 3  4  o 96.67929 1.874285 93.51564       3.624439      90.18591       5.049136      96.84536       5.200744      94.95751 2.658629 98.40108 2.642626 -3.443565      3.748570 
1 1 1 13 3  5  o 88.03986 1.969628 77.57547       3.468580      75.37926       4.839434      79.70082       4.969789      86.81293 2.787277 89.26680 2.783672 -2.453873      3.939256 
1 1 1 13 3  6  o 131.0964 1.806913 171.9413       4.739542      177.9631       6.856396      165.9194       6.544678      133.3927 2.570005 128.8001 2.540633 4.592529       3.613827 
1 1 1 13 3  7  o 407.3588 3.432426 1660.611       28.03344      1611.728       35.50760      1709.494       43.39976      401.3793 4.423199 413.3384 5.249906 -11.95911      6.864852 
1 1 1 13 3  8  o 379.7565 3.232517 1443.116       24.55494      1442.408       32.09995      1443.116       37.15829      379.7216 4.226775 379.7914 4.891935 -0.6985474E-01 6.465033 
1 1 1 13 3  9  o 601.1674 4.849046 3618.063       58.46144      3508.253       73.89152      3728.582       90.61098      592.0646 6.240158 610.2703 7.423841 -18.20569      9.698092 
1 1 1 13 3  10 o 125.3603 2.116946 157.2763       5.308429      151.3253       7.367898      163.1564       7.644195      123.0013 2.995048 127.7192 2.992578 -4.717880      4.233891 
1 1 1 13 3  11 o 97.03976 2.124997 94.29493       4.144443      89.05238       5.192243      99.46662       6.460372      94.35905 2.751322 99.72047 3.239241 -5.361420      4.249995 
1 1 1 13 3  12 o 467.1892 3.861195 2184.157       36.12396      2149.443       46.41776      2218.871       55.36551      463.4995 5.007316 470.8790 5.878953 -7.379517      7.722389 
1 1 1 13 3  13 o 383.5205 3.491003 1471.454       26.77948      1447.367       37.22914      1496.250       38.51144      380.3376 4.894223 386.7033 4.979456 -6.365662      6.982005 
1 1 1 13 3  14 o 209.5252 2.377421 439.3109       9.967916      424.2917       13.68020      454.2593       14.50201      205.9515 3.321220 213.0989 3.402648 -7.147400      4.754841 
1 1 1 13 3  15 o 283.9695 3.193697 806.9266       18.24263      769.3787       21.84157      845.1830       29.23072      277.3185 3.937994 290.6207 5.029016 -13.30222      6.387394 
1 1 1 13 3  16 o 277.9558 2.851197 772.9209       15.84807      770.7955       22.41541      775.0463       22.41541      277.5735 4.037744 278.3381 4.026652 -0.7646484     5.702394 
1 1 1 13 3  17 o 606.3389 5.256605 3682.532       63.76067      3657.737       89.47746      3708.037       90.82352      604.2728 7.403731 608.4049 7.464069 -4.132141      10.51321 
1 1 1 13 3  18 o 303.1287 3.156830 919.5704       19.14945      916.7366       22.17454      922.4042       31.22147      302.6992 3.662802 303.5581 5.142586 -0.8589172     6.313660 
1 1 1 13 3  19 o 162.7846 2.187749 265.2444       7.098687      277.5714       9.479085      252.9173       10.57010      166.5746 2.845296 158.9945 3.324045 7.580109       4.375499 
1 1 1 13 3  20 o 472.3498 3.933812 2234.457       37.17955      2217.454       48.33058      2251.460       56.52028      470.6040 5.134953 474.0956 5.960853 -3.491669      7.867624 
1 1 1 13 3  21 o 287.6445 2.710103 828.1802       15.55052      789.9238       22.84757      867.1450       21.09769      280.9234 4.066513 294.3655 3.583588 -13.44208      5.420206 
1 1 1 13 3  22 o 89.96992 2.893358 81.40111       5.236167      71.48279       6.671490      91.24860       8.076350      84.49014 3.948089 95.44972 4.230683 -10.95959      5.786716 
1 1 1 13 3  23 o 197.7062 2.387212 391.4196       9.450747      405.5178       13.95650      377.3923       12.74505      201.2523 3.467413 194.1601 3.282098 7.092270       4.774423 
1 1 1 13 3  24 o 365.2625 3.408295 1338.266       24.90916      1368.020       36.15938      1307.802       34.26781      369.3578 4.894898 361.1672 4.744037 8.190582       6.816591 
1 1 1 13 3  25 o 300.3018 2.762543 903.2760       16.59194      901.1507       21.94075      906.1099       24.90208      299.9271 3.657681 300.6765 4.141008 -0.7494812     5.525086 
1 1 1 13 3  26 o 131.2653 2.078223 172.5788       5.457204      173.0748       7.382068      172.0121       8.033843      131.4754 2.807396 131.0553 3.065058 0.4200439      4.156447 
1 1 1 13 3  27 o 27.98915 5.281610 8.203872       3.031465      6.898195       4.225915      9.507423       4.347769      25.90793 7.640874 30.07037 7.293741 -4.162437      10.56322 
1 1 1 13 3  28 o 84.40836 2.381066 71.90786       4.031091      60.23257       5.235459      83.59731       6.130942      77.50591 3.377458 91.31081 3.357183 -13.80490      4.762132 
1 1 1 13 3  29 o 72.15263 2.567670 52.24832       3.706620      51.45485       5.088101      53.04887       5.391318      71.60789 3.552752 72.69737 3.708056 -1.089485      5.135340 
1 1 1 13 3  30 o 219.4593 2.336654 483.2350       10.26547      476.0087       13.58102      490.3904       15.39466      217.8650 3.116843 221.0535 3.482111 -3.188492      4.673308 
1 1 1 13 3  31 f 214.9677 2.330315 464.1068       10.00334      483.0933       13.78647      445.1203       14.49492      219.4048 3.141790 210.5306 3.442474 8.874176       4.660630 
1 1 1 13 3  32 o 76.03293 2.717533 58.24182       4.132399      53.24015       5.656987      63.24349       6.024674      72.75720 3.887579 79.30865 3.798245 -6.551453      5.435066 
1 1 1 13 3  33 o 85.84962 2.669086 74.10406       4.580141      75.59180       6.368274      72.68716       6.585768      86.70390 3.672426 84.99535 3.874193 1.708549       5.338173 
1 1 1 13 3  34 o 135.8008 2.529821 185.8977       6.860647      195.4619       9.677451      176.3336       9.734127      139.3251 3.472974 132.2766 3.679461 7.048553       5.059642 
1 1 1 13 3  35 o 73.25775 2.962022 54.21782       4.335725      55.86851       6.031758      52.56004       6.230834      74.39864 4.053675 72.11687 4.319956 2.281776       5.924044 
1 1 1 13 3  36 o 123.4484 2.601494 153.9466       6.453288      145.5869       8.012589      162.3063       10.12378      120.1970 3.333107 126.6998 3.995181 -6.502823      5.202987 
1 1 1 13 3  37 o 149.9797 5.951802 232.0888       17.85299      232.0888       17.85299      ?              ?             149.9797 5.951802 ?        ?        ?              ?        
1 1 1 13 3  38 o 19.55974 5.725619 1.509002       3.684657      2.099143       4.875566      0.9188619      5.526632      19.64365 7.958721 19.47583 8.233445 0.1678238      11.45124 
1 1 1 13 3  39 o 105.5163 2.634341 113.4231       5.588267      105.4885       7.044137      121.3578       8.678535      101.9473 3.454792 109.0853 3.977865 -7.138008      5.268682 
1 1 1 13 3  40 o 122.0887 2.612594 152.1754       6.405112      142.5405       8.210957      161.7395       9.833311      118.3725 3.468269 125.8050 3.908157 -7.432426      5.225188 
1 1 1 13 3  41 o 62.18665 3.726731 42.37250       4.654528      38.45476       6.016172      46.29024       7.105771      59.51798 5.054080 64.85531 5.478173 -5.337326      7.453462 
1 1 1 13 3  42 o 46.94808 3.919948 23.95984       3.627982      19.18487       5.059054      28.74189       5.202161      41.90848 6.035836 51.98767 5.003264 -10.07919      7.839896 
1 1 1 13 3  43 o 37.47079 5.200230 16.93908       3.722206      11.98701       6.102604      21.89116       4.264171      29.82690 9.264729 45.11469 4.725924 -15.28778      10.40046 
1 1 1 13 3  44 o 53.33071 3.902706 32.41167       4.199702      29.36533       4.848644      35.45092       6.858521      51.71004 4.688301 54.95138 6.240537 -3.241341      7.805412 
1 1 1 13 4  0  o 19.44367 8.622948 5.457204       3.513921      5.457204       3.513921      5.457204       3.513921      19.44367 8.622948 19.44367 8.622948 0.000000       0.000000 
1 1 1 13 4  1  o 373.2101 2.952666 1393.525       22.03993      1399.901       31.28523      1387.149       31.05144      374.0636 4.181806 372.3565 4.169585 1.707092       5.905332 
1 1 1 13 4  2  o 452.6502 3.471168 2050.260       31.42692      2063.720       44.71039      2036.799       44.17197      454.1353 4.922585 451.1651 4.895322 2.970215       6.942335 
1 1 1 13 4  3  o 294.5461 2.466516 867.8535       14.53035      872.8126       20.62303      862.8942       20.47426      295.3876 3.490842 293.7046 3.485518 1.683014       4.933033 
1 1 1 13 4  4  o 494.4702 4.057773 2446.992       40.21172      2388.899       51.24940      2505.794       61.97536      488.5979 5.244537 500.3424 6.193295 -11.74445      8.115546 
1 1 1 13 4  5  o 560.9445 4.540953 3149.777       50.89518      3195.118       67.62172      3104.436       76.08772      565.0176 5.984036 556.8713 6.831715 8.146301       9.081906 
1 1 1 13 4  6  o 453.7866 3.759283 2060.886       34.09778      2077.889       45.00086      2043.175       51.24232      455.7171 4.937367 451.8560 5.670205 3.861145       7.518565 
1 1 1 13 4  7  o 96.56596 2.079674 93.23225       4.014087      93.94070       5.224123      92.59465       6.096227      96.91576 2.695188 96.21616 3.167985 0.6996078      4.159347 
1 1 1 13 4  8  o 522.9189 4.558598 2736.749       47.67880      2738.166       67.38085      2735.332       67.46586      523.0547 6.441091 522.7832 6.452566 0.2714844      9.117196 
1 1 1 13 4  9  o 58.28666 2.963495 34.08361       3.450160      30.44926       4.740959      37.71797       5.013713      55.16964 4.296711 61.40369 4.082583 -6.234055      5.926990 
1 1 1 13 4  10 o 770.1461 6.545161 5943.911       100.8127      6015.464       144.2408      5872.357       140.9111      774.7726 9.308588 765.5195 9.203624 9.253174       13.09032 
1 1 1 13 4  11 o 497.9115 4.360650 2481.707       43.42809      2455.494       60.74974      2507.211       62.07454      495.3194 6.132380 500.5036 6.201209 -5.184143      8.721300 
1 1 1 13 4  12 o 609.0509 5.243494 3713.704       63.85985      3732.124       90.68183      3695.284       89.97337      610.5604 7.426116 607.5414 7.404711 3.018921       10.48699 
1 1 1 13 4  13 o 431.7512 3.617667 1865.354       31.25689      1848.351       40.56595      1882.356       47.57254      429.8046 4.719116 433.6979 5.484525 -3.893311      7.235334 
1 1 1 13 4  14 o 820.9844 6.515336 6756.505       106.9054      6811.056       141.2653      6701.954       160.5352      824.4324 8.567427 817.5363 9.818229 6.896057       13.03067 
1 1 1 13 4  15 o 359.0236 3.143568 1290.091       22.55002      1310.636       30.02419      1268.837       33.65146      361.9448 4.147620 356.1024 4.724969 5.842346       6.287136 
1 1 1 13 4  16 o 198.6670 2.526085 394.8202       10.03876      387.3106       14.11236      402.4006       14.27530      196.7684 3.586032 200.5655 3.558764 -3.797043      5.052171 
1 1 1 13 4  17 o 481.6192 4.806655 2323.722       46.16980      2250.751       70.01629      2396.692       60.21132      473.9882 7.385869 489.2502 6.153428 -15.26205      9.613311 
1 1 1 13 4  18 o 435.1536 4.154220 1896.526       36.13104      1902.902       41.96160      1889.441       58.82984      436.0233 4.811852 434.2838 6.773201 1.739502       8.308440 
1 1 1 13 4  19 o 327.2648 2.936763 1071.888       19.18487      1112.269       26.04269      1032.214       28.17513      333.3904 3.905735 321.1392 4.386747 12.25119       5.873527 
1 1 1 13 4  20 o 277.1550 2.518823 769.3787       14.09111      721.2039       16.16687      817.5534       23.08844      268.4937 3.010661 285.8164 4.039034 -17.32272      5.037646 
1 1 1 13 4  21 f 470.0031 3.743718 2212.495       35.18880      2212.495       43.21556      2213.203       55.54970      470.0654 4.596761 469.9409 5.910286 0.1244812      7.487435 
1 1 1 13 4  22 o 219.7710 2.342663 483.4475       10.30089      481.2513       13.62353      485.7145       15.45133      219.2772 3.106463 220.2648 3.507445 -0.9876709     4.685326 
1 1 1 13 4  23 o 48.78279 4.383247 26.00727       3.577682      12.83715       5.431700      39.17030       4.657362      35.02414 7.936471 62.54144 3.723421 -27.51729      8.766495 
1 1 1 13 4  24 o 27.21064 5.198295 7.601687       2.983999      5.323307       4.386024      9.882903       4.047385      23.66998 7.895450 30.75131 6.763944 -7.081335      10.39659 
1 1 1 13 4  25 o 104.1525 2.361131 108.6057       4.917363      108.3223       7.105771      108.9599       6.801137      103.9960 3.416367 104.3090 3.260091 -0.3129654     4.722261 
1 1 1 13 4  26 o 168.5896 2.127433 284.7268       7.162447      293.7950       9.904156      275.6586       10.35756      171.2848 2.891138 165.8945 3.121732 5.390259       4.254867 
1 1 1 13 4  27 o 286.6392 2.692189 824.6379       15.41591      842.3492       20.89933      806.2181       22.67046      289.8267 3.605487 283.4516 3.998999 6.375061       5.384378 
1 1 1 13 4  28 o 118.9382 2.137535 141.9737       5.071097      152.8130       7.148279      131.1344       7.197870      123.4958 2.894139 114.3806 3.146456 9.115158       4.275071 
1 1 1 13 4  29 o 246.8034 2.476683 611.2522       12.22079      614.1568       16.44317      608.3475       18.08677      247.4328 3.322753 246.1740 3.673575 1.258835       4.953367 
1 1 1 13 4  30 o 84.14041 2.429223 71.05771       4.089183      70.32092       5.554262      71.76617       6.003421      83.72234 3.317073 84.55849 3.549863 -0.8361588     4.858446 
1 1 1 13 4  31 o 157.1486 2.425342 248.0290       7.594603      254.7593       9.365732      241.2987       11.95867      159.3679 2.938399 154.9292 3.859398 4.438766       4.850685 
1 1 1 13 4  32 o 157.6144 2.468014 249.5876       7.764632      253.8383       9.592437      245.4077       12.20662      159.0401 3.015729 156.1887 3.907652 2.851395       4.936027 
1 1 1 13 4  33 f 153.6425 2.557904 237.4022       7.870899      233.2223       9.677451      241.5820       12.42624      152.3880 3.175267 154.8971 4.011129 -2.509094      5.115807 
1 1 1 13 4  34 o 47.59721 5.243887 24.25739       4.596435      31.83074       6.094102      16.69112       6.883317      55.95096 5.445932 39.24346 8.962992 16.70750       10.48777 
1 1 1 13 4  35 o 47.50247 4.479958 23.09553       4.261337      22.67046       5.472790      23.52060       6.533343      47.15274 5.803257 47.85219 6.826587 -0.6994476     8.959915 
1 1 1 13 4  36 o 182.5370 2.628306 336.5146       9.620775      328.0840       11.66112      344.9452       15.30964      180.4660 3.230834 184.6080 4.146527 -4.142014      5.256612 
1 1 1 13 4  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 4  38 o 69.79407 3.017553 49.69790       4.209620      45.70931       5.814972      53.69356       6.088435      66.96404 4.341862 72.62408 4.191746 -5.660042      6.035106 
1 1 1 13 4  39 o 52.25119 3.537724 28.23889       3.676865      26.27648       5.438076      30.20130       4.948535      50.29244 5.406455 54.20994 4.564233 -3.917496      7.075449 
1 1 1 13 4  40 o 60.76533 3.367162 38.41934       4.012671      31.92284       5.917697      44.91584       5.419656      55.33318 5.347332 66.19748 4.093552 -10.86430      6.734325 
1 1 1 13 4  41 o 81.62063 2.717783 69.13072       4.439867      75.16674       6.529091      63.09472       6.017590      85.19939 3.831654 78.04187 3.855360 7.157516       5.435565 
1 1 1 13 4  42 o 29.84010 5.059980 10.62678       3.066179      14.38157       4.665863      6.867023       3.979374      35.44720 6.824965 24.23299 7.472178 11.21421       10.11996 
1 1 1 13 4  43 o 73.68550 3.112467 58.05054       4.424282      50.83850       7.289969      65.26966       5.017964      67.95820 5.363569 79.41280 3.159418 -11.45460      6.224933 
1 1 1 13 4  44 o 19.37632 5.082189 3.957411       2.880565      7.722124       4.274798      0.1948242      3.861770      24.06684 7.792692 14.68581 6.525987 9.381038       10.16438 
1 1 1 13 5  0  o 184.9301 2.761555 342.2530       10.20879      342.2530       10.20879      342.2530       10.20879      184.9301 2.761555 184.9301 2.761555 -0.000000      0.000000 
1 1 1 13 5  1  o 420.7715 3.530423 1771.838       29.66996      1812.928       39.83624      1730.748       43.98069      425.6673 4.679270 415.8758 5.287720 9.791504       7.060846 
1 1 1 13 5  2  o 185.7025 2.244364 345.0160       8.338477      352.4548       11.93741      337.5064       11.63986      187.7143 3.179676 183.6906 3.168333 4.023651       4.488728 
1 1 1 13 5  3  o 543.8876 4.727311 2961.328       51.43360      2947.868       72.33293      2974.789       73.11222      542.6533 6.664746 545.1219 6.706044 -2.468628      9.454621 
1 1 1 13 5  4  o 441.3107 3.930140 1948.951       34.69288      1959.578       49.26574      1938.324       48.84775      442.5133 5.566582 440.1080 5.549519 2.405334       7.860280 
1 1 1 13 5  5  o 216.1469 2.381330 467.2948       10.29380      461.2729       14.34615      473.3875       14.77122      214.7465 3.340252 217.5473 3.394944 -2.800812      4.762661 
1 1 1 13 5  6  o 481.7209 4.239734 2322.305       40.84933      2337.182       58.07180      2307.427       57.46252      483.2632 6.008299 480.1786 5.983453 3.084595       8.479467 
1 1 1 13 5  7  f 268.8475 2.696210 723.3293       14.50201      738.2068       20.73638      707.9559       20.26880      271.6596 3.816612 266.0354 3.809420 5.624207       5.392421 
1 1 1 13 5  8  o 776.4956 6.594965 6040.260       102.4421      6014.047       144.0991      6067.181       145.5869      774.7923 9.299209 778.1989 9.354090 -3.406616      13.18993 
1 1 1 13 5  9  o 413.9230 3.722131 1714.453       30.81765      1709.494       43.37142      1719.412       43.78232      413.3253 5.246645 414.5208 5.281076 -1.195526      7.444263 
1 1 1 13 5  10 o 467.4818 3.875501 2186.991       36.25148      2172.822       47.10496      2201.160       55.11754      465.9926 5.054260 468.9710 5.876434 -2.978394      7.751002 
1 1 1 13 5  11 o 269.9625 2.543572 728.9969       13.73688      729.7053       18.00884      728.2885       20.73638      270.0989 3.333750 269.8262 3.842545 0.2727356      5.087144 
1 1 1 13 5  12 o 735.2008 5.868066 5413.989       86.36028      5350.937       111.5812      5476.333       131.8429      731.0297 7.631781 739.3719 8.915870 -8.342285      11.73613 
1 1 1 13 5  13 o 608.0824 4.916164 3702.369       59.85000      3650.652       77.15040      3754.795       91.53197      603.8691 6.388008 612.2957 7.474492 -8.426575      9.832328 
1 1 1 13 5  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 5  15 o 238.5582 2.350013 569.3118       11.18645      579.9386       13.99901      558.6851       17.45625      240.7929 2.906857 236.3236 3.693295 4.469284       4.700026 
1 1 1 13 5  16 o 72.27975 3.154663 52.27666       4.572348      51.43360       5.439492      53.11971       7.346645      71.70256 3.793095 72.85696 5.041828 -1.154396      6.309327 
1 1 1 13 5  17 o 290.6104 2.753816 845.1830       15.98267      869.9788       21.60069      820.3871       23.55602      294.8833 3.662583 286.3374 4.113332 8.545898       5.507633 
1 1 1 13 5  18 o 332.4976 4.632413 1108.019       30.48468      1156.193       32.16371      1059.844       51.79491      339.8705 4.731759 325.1247 7.965391 14.74585       9.264826 
1 1 1 13 5  19 o 185.1393 2.110825 342.9615       7.792970      351.5338       9.762465      334.3892       12.14995      187.4626 2.603843 182.8160 3.323000 4.646683       4.221650 
1 1 1 13 5  20 o 358.0734 3.007732 1283.715       21.56527      1270.963       26.15604      1295.758       34.29615      356.3853 3.669629 359.7616 4.766511 -3.376251      6.015464 
1 1 1 13 5  21 o 186.7540 2.302083 349.2667       8.614774      330.9887       11.47692      367.5448       12.85132      181.8681 3.155286 191.6398 3.352987 -9.771713      4.604167 
1 1 1 13 5  22 o 134.0613 2.027980 179.8759       5.428866      182.5680       6.722499      177.1838       8.522675      135.0777 2.488383 133.0450 3.202930 2.032654       4.055960 
1 1 1 13 5  23 o 40.67741 3.854160 16.61319       3.105852      17.72546       3.846893      15.50801       4.876983      42.05491 4.573655 39.29992 6.204825 2.754993       7.708319 
1 1 1 13 5  24 o 235.1383 2.415371 553.6551       11.35648      553.5134       15.08294      553.8676       16.98867      235.1206 3.207490 235.1561 3.612212 -0.3553772E-01 4.830742 
1 1 1 13 5  25 o 104.9383 2.248902 110.3059       4.726081      106.6928       6.313014      113.9190       7.035635      103.2248 3.057895 106.6518 3.298412 -3.427017      4.497804 
1 1 1 13 5  26 o 115.4594 2.009342 133.5432       4.646027      138.2898       6.877649      128.7965       6.247128      117.5069 2.926487 113.4118 2.754178 4.095085       4.018684 
1 1 1 13 5  27 o 134.5852 2.008412 181.5053       5.401945      175.6252       7.686701      187.3855       7.594603      132.3992 2.902851 136.7712 2.776390 -4.371994      4.016825 
1 1 1 13 5  28 o 62.06133 2.929440 38.70980       3.642859      36.35066       4.874148      41.06895       5.414697      60.17402 4.050044 63.94864 4.233630 -3.774620      5.858880 
1 1 1 13 5  29 o 171.3887 2.183956 294.6451       7.474166      304.4217       10.30089      284.8685       10.83931      174.2531 2.955727 168.5243 3.215950 5.728790       4.367912 
1 1 1 13 5  30 o 47.22735 3.585047 22.56419       3.360895      25.40508       4.696327      19.72330       4.808262      50.23925 4.673963 44.21545 5.437310 6.023792       7.170095 
1 1 1 13 5  31 o 272.4631 2.661757 745.9998       14.49492      755.2096       19.53910      736.7899       21.41650      274.2138 3.562750 270.7125 3.955580 3.501343       5.323514 
1 1 1 13 5  32 o 66.06342 3.017107 44.07278       3.970872      48.67064       5.627941      39.48202       5.603145      69.53957 4.046575 62.58726 4.476267 6.952312       6.034213 
1 1 1 13 5  33 o 44.09658 5.070431 21.04102       4.205369      12.64586       5.690285      29.43617       6.193285      34.34564 8.352593 53.84752 5.750762 -19.50188      10.14086 
1 1 1 13 5  34 o 124.6209 2.438516 156.4970       6.081350      145.0909       8.324308      167.9739       8.862731      120.0560 3.466843 129.1858 3.430226 -9.129776      4.877033 
1 1 1 13 5  35 o 194.6710 2.379611 381.6430       9.273635      373.5666       12.51126      389.6485       13.68729      192.6655 3.246885 196.6765 3.479646 -4.010910      4.759223 
1 1 1 13 5  36 o 27.54552 5.589266 7.849646       3.438825      4.559595       5.117856      11.14395       4.594310      22.92799 8.460040 32.16304 7.306662 -9.235050      11.17853 
1 1 1 13 5  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 5  38 o 17.06981 5.200408 -0.6008379     3.352394      -2.946451      4.979708      1.744917       4.490167      15.50435 7.093479 18.63526 7.606544 -3.130905      10.40082 
1 1 1 13 5  39 o 47.92763 3.773227 24.13695       3.619480      28.82690       5.502545      19.44700       4.704120      52.66760 5.223843 43.18765 5.446140 9.479954       7.546454 
1 1 1 13 5  40 o 88.37529 2.692930 80.19674       4.775673      84.51830       7.297054      75.94603       6.162114      90.60313 4.026932 86.14745 3.576492 4.455681       5.385859 
1 1 1 13 5  41 o 18.25696 5.374247 1.789549       3.256045      1.842683       4.951370      1.737124       4.230875      18.79331 7.861235 17.72061 7.330152 1.072701       10.74849 
1 1 1 13 5  42 o 40.27009 3.963472 17.57669       3.190158      17.75380       4.932241      17.40666       4.048093      40.15549 6.141428 40.38469 5.011917 -0.2291946     7.926945 
1 1 1 13 5  43 o 14.99526 4.592070 -0.1014503     2.719038      -2.122522      4.368313      1.919904       3.239042      14.04339 6.511500 15.94713 6.476788 -1.903739      9.184139 
1 1 1 13 5  44 o 18.36812 5.042055 2.332223       3.203619      -0.8218040     5.450119      5.486251       3.367980      15.90675 7.336246 20.82949 6.918726 -4.922745      10.08411 
1 1 1 13 6  0  o 246.3536 4.462121 607.6390       21.96909      607.6390       21.96909      607.6390       21.96909      246.3536 4.462121 246.3536 4.462121 0.000000       0.000000 
1 1 1 13 6  1  o 288.9882 3.479060 835.9731       20.10586      830.3055       28.33099      840.9323       28.54352      288.0695 4.917388 289.9069 4.922878 -1.837402      6.958120 
1 1 1 13 6  2  o 363.0278 3.749533 1319.137       27.19038      1302.843       41.70655      1334.723       34.90542      360.8119 5.779543 365.2436 4.778375 -4.431732      7.499065 
1 1 1 13 6  3  o 490.0179 4.815540 2403.777       47.13330      2366.938       72.04955      2440.616       60.77099      486.2166 7.409203 493.8192 6.153162 -7.602600      9.631080 
1 1 1 13 6  4  o 518.1282 5.065041 2687.866       52.47503      2677.239       80.97604      2697.784       66.73616      517.0828 7.830085 519.1735 6.427154 -2.090759      10.13008 
1 1 1 13 6  5  f 487.3884 4.797976 2377.564       46.67989      2421.488       60.16881      2334.349       71.41194      491.8971 6.115996 482.8797 7.394382 9.017395       9.595952 
1 1 1 13 6  6  o 340.1475 3.573915 1157.610       24.32824      1151.234       30.39258      1163.986       37.99427      339.2296 4.479648 341.0654 5.569940 -1.835846      7.147830 
1 1 1 13 6  7  o 325.8202 2.903724 1061.969       18.91566      1066.220       24.83123      1057.719       28.54352      326.4805 3.802867 325.1599 4.389153 1.320648       5.807448 
1 1 1 13 6  8  o 492.0712 4.057716 2422.905       39.96377      2398.818       51.70281      2447.701       60.95520      489.6184 5.279909 494.5239 6.163018 -4.905518      8.115432 
1 1 1 13 6  9  o 334.5311 2.959399 1119.354       19.77289      1142.733       26.38983      1096.683       29.45742      337.9803 3.904049 331.0820 4.448661 6.898315       5.918799 
1 1 1 13 6  10 o 404.2252 3.282192 1634.398       26.53152      1634.398       32.54628      1635.107       41.91909      404.2050 4.025961 404.2453 5.184859 -0.4025269E-01 6.564383 
1 1 1 13 6  11 o 283.7713 2.640173 805.5097       14.97667      811.8857       19.73747      799.1337       22.52877      284.9002 3.463926 282.6424 3.985383 2.257813       5.280347 
1 1 1 13 6  12 o 296.0444 2.522985 876.3549       14.94125      872.1042       21.00560      881.3140       21.24647      295.2672 3.557048 296.8217 3.578996 -1.554413      5.045969 
1 1 1 13 6  13 o 375.1870 3.008523 1408.402       22.57127      1396.359       31.68905      1420.446       32.16371      373.5833 4.241229 376.7906 4.268116 -3.207214      6.017045 
1 1 1 13 6  14 o 130.0551 2.271497 169.3200       5.876608      179.9467       7.785885      158.7640       8.806056      134.1292 2.902384 125.9811 3.494992 8.148087       4.542994 
1 1 1 13 6  15 o 321.4190 2.958575 1033.631       19.00068      1018.045       28.47268      1049.217       25.16421      318.9855 4.463006 323.8526 3.885133 -4.867096      5.917151 
1 1 1 13 6  16 o 470.8488 3.658854 2218.871       34.45201      2228.081       48.89734      2209.661       48.55729      471.8255 5.181719 469.8722 5.167074 1.953278       7.317709 
1 1 1 13 6  17 o 348.7574 2.879556 1217.120       20.08461      1203.660       28.08303      1230.581       28.72772      346.8301 4.048528 350.6847 4.095947 -3.854584      5.759111 
1 1 1 13 6  18 f 522.8750 4.312257 2738.166       45.07170      2713.370       67.52962      2763.670       59.70123      520.4175 6.488024 525.3324 5.682234 -4.914856      8.624514 
1 1 1 13 6  19 o 310.1689 2.841219 962.7860       17.61920      967.0367       23.20888      958.5353       26.51735      310.8698 3.732893 309.4681 4.284344 1.401764       5.682437 
1 1 1 13 6  20 o 198.5947 2.256643 394.6785       8.947746      404.6677       11.93033      384.6893       13.34015      201.1157 2.966036 196.0736 3.401821 5.042053       4.513287 
1 1 1 13 6  21 o 195.3405 2.092345 381.9972       8.175533      366.9072       11.22896      397.0872       11.89491      191.4820 2.932119 199.1990 2.985683 -7.717041      4.184690 
1 1 1 13 6  22 o 209.5778 2.143461 439.6652       8.983169      447.8124       12.84423      431.5180       12.56793      211.5195 3.036182 207.6362 3.026432 3.883301       4.286921 
1 1 1 13 6  23 o 134.1213 2.224936 180.3718       5.963038      194.8242       8.579351      165.9194       8.281801      139.5065 3.074892 128.7361 3.216582 10.77046       4.449872 
1 1 1 13 6  24 f 99.92924 2.370853 100.3876       4.675073      87.91887       7.004463      112.8564       6.193994      93.68195 3.738427 106.1765 2.916837 -12.49458      4.741706 
1 1 1 13 6  25 o 182.4857 2.245422 333.5391       8.182618      326.5254       12.43333      340.5528       10.63386      180.5431 3.443314 184.4282 2.882927 -3.885162      4.490843 
1 1 1 13 6  26 o 190.4842 2.272161 364.0025       8.614774      339.5609       12.72379      388.3733       11.61861      184.0609 3.456409 196.9075 2.950271 -12.84659      4.544322 
1 1 1 13 6  27 o 116.9147 2.265125 137.0146       5.300636      137.7230       8.210957      136.3061       6.700537      117.1900 3.503268 116.6395 2.872329 0.5505142      4.530249 
1 1 1 13 6  28 o 102.9407 2.345677 106.2678       4.818889      104.0007       7.431659      108.5348       6.135192      101.8131 3.649657 104.0683 2.947678 -2.255135      4.691354 
1 1 1 13 6  29 o 167.6097 2.253059 281.8221       7.559181      283.6641       11.66820      279.9093       9.606606      168.1209 3.470182 167.0986 2.874532 1.022293       4.506118 
1 1 1 13 6  30 o 135.1866 2.283222 183.4182       6.184784      186.8187       9.727042      179.9467       7.644195      136.4038 3.565532 133.9695 2.852962 2.434357       4.566444 
1 1 1 13 6  31 o 209.3354 2.553845 440.2319       10.68345      430.5970       15.43008      449.7960       14.78539      207.0229 3.726660 211.6479 3.492921 -4.625031      5.107689 
1 1 1 13 6  32 o 210.4577 2.590362 445.2620       10.90307      448.6625       15.99684      441.8614       14.82790      211.2237 3.786707 209.6918 3.535641 1.531891       5.180724 
1 1 1 13 6  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 6  34 o 27.43307 5.894427 7.877984       3.570597      9.925409       5.290718      5.834100       4.796218      30.43930 8.414789 24.42685 8.256416 6.012451       11.78885 
1 1 1 13 6  35 o 73.09003 2.788113 54.01945       4.045260      49.83250       6.075682      58.21348       5.343143      70.17821 4.328753 76.00186 3.515140 -5.823654      5.576227 
1 1 1 13 6  36 o 103.3674 2.344266 107.8264       4.824557      101.2378       7.148279      114.4150       6.481626      100.1392 3.569172 106.5956 3.040287 -6.456474      4.688532 
1 1 1 13 6  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 6  38 o 23.09414 5.660697 5.375024       3.230540      5.856771       5.159654      4.892568       3.889400      24.22137 8.537805 21.96692 7.435042 2.254452       11.32139 
1 1 1 13 6  39 o 58.09086 3.059054 34.71414       3.545801      34.43076       5.660530      34.99752       4.271964      57.61883 4.912049 58.56290 3.647330 -0.9440689     6.118108 
1 1 1 13 6  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 6  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 6  42 o 23.84349 5.914002 6.655904       3.720789      6.995961       6.473832      6.315848       3.669780      24.51130 9.398205 23.17568 7.181603 1.335625       11.82800 
1 1 1 13 6  43 o 52.36678 3.946605 30.62637       3.950327      27.00618       6.610563      34.23948       4.327932      47.77221 6.918838 56.96133 3.799009 -9.189121      7.893211 
1 1 1 13 7  0  o 146.0131 3.821878 213.6691       11.14395      213.6691       11.14395      213.6691       11.14395      146.0131 3.821878 146.0131 3.821878 -0.000000      0.000000 
1 1 1 13 7  1  o 591.4149 6.272227 3504.003       74.17490      3541.551       106.0552      3465.746       103.7882      594.6086 8.918071 588.2213 8.822206 6.387390       12.54445 
1 1 1 13 7  2  o 639.7715 6.743711 4100.519       86.28942      4084.933       121.4995      4116.813       122.5622      638.5310 9.513985 641.0120 9.560053 -2.480957      13.48742 
1 1 1 13 7  3  o 334.5695 3.872760 1120.062       25.91516      1115.103       36.45693      1125.021       36.83949      333.8294 5.460413 335.3095 5.493356 -1.480103      7.745520 
1 1 1 13 7  4  o 306.7563 3.328830 941.5324       20.34674      984.0396       26.89283      899.7338       30.54844      313.6357 4.287272 299.8769 5.093498 13.75879       6.657659 
1 1 1 13 7  5  o 504.7695 4.155992 2549.718       41.95451      2549.010       54.94043      2550.426       63.42769      504.7247 5.442614 504.8143 6.282279 -0.8959961E-01 8.311984 
1 1 1 13 7  6  o 75.11330 2.534158 56.49195       3.825640      60.16881       5.928325      52.82216       4.838017      77.55638 3.821945 72.67020 3.328749 4.886177       5.068316 
1 1 1 13 7  7  o 143.5827 2.104236 206.3011       6.061513      215.2985       9.337394      197.3038       7.736294      146.7131 3.182195 140.4524 2.754063 6.260727       4.208471 
1 1 1 13 7  8  o 32.70924 5.167095 10.76847       3.579099      4.420739       5.725707      17.11619       4.296052      24.06043 8.934240 41.35806 5.193730 -17.29763      10.33419 
1 1 1 13 7  9  o 426.4338 3.853399 1820.013       32.87925      1769.713       45.32674      1870.313       47.63630      420.5431 5.389072 432.3246 5.509321 -11.78149      7.706797 
1 1 1 13 7  10 o 604.0198 4.895522 3652.069       59.17698      3676.156       89.97337      3627.982       76.86702      605.9668 7.423953 602.0728 6.383532 3.893982       9.791044 
1 1 1 13 7  11 o 345.0641 3.059259 1190.907       21.13312      1205.785       32.26289      1176.738       27.30373      347.1559 4.646744 342.9723 3.980458 4.183655       6.118519 
1 1 1 13 7  12 o 114.5766 2.232937 131.4178       5.090934      138.7857       6.713289      124.0499       7.658363      117.7940 2.849590 111.3593 3.438584 6.434700       4.465873 
1 1 1 13 7  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 7  14 o 268.1772 2.657613 719.7870       14.23280      735.3730       18.88024      703.7051       21.30314      271.1352 3.481702 265.2192 4.016139 5.915985       5.315226 
1 1 1 13 7  15 o 109.6816 2.918079 120.3660       6.399445      122.2788       8.983169      118.4531       9.117774      110.5540 4.062798 108.8092 4.189799 1.744759       5.836158 
1 1 1 13 7  16 o 220.7348 2.656401 487.4857       11.73196      490.6737       16.69112      484.2976       16.47859      221.4562 3.768493 220.0133 3.744907 1.442886       5.312803 
1 1 1 13 7  17 o 410.3268 3.532966 1685.407       29.01110      1674.072       37.60462      1696.742       44.17905      408.9788 4.597381 411.6748 5.365771 -2.696014      7.065933 
1 1 1 13 7  18 f 382.6602 3.324165 1465.787       25.44050      1464.370       38.32016      1467.204       33.46726      382.4487 5.009842 382.8717 4.370558 -0.4229431     6.648331 
1 1 1 13 7  19 o 184.2659 2.228875 339.8443       8.196787      351.8171       10.95267      327.8006       12.19245      187.5291 2.920258 181.0028 3.368029 6.526260       4.457749 
1 1 1 13 7  20 o 162.4810 2.035127 264.2525       6.611272      273.4624       9.457831      254.9718       9.245295      165.3251 2.860373 159.6369 2.895726 5.688187       4.070254 
1 1 1 13 7  21 o 313.3569 2.659584 983.3311       16.67695      959.9522       23.03177      1006.710       24.11570      309.6358 3.719171 317.0780 3.802803 -7.442200      5.319167 
1 1 1 13 7  22 o 200.3805 2.283409 402.1881       9.124859      381.2888       13.30472      423.1582       12.49709      195.1501 3.408844 205.6109 3.039014 -10.46080      4.566817 
1 1 1 13 7  23 o 180.4610 2.063202 326.0295       7.445828      322.4872       10.44258      329.5009       10.61969      179.4909 2.908944 181.4312 2.926645 -1.940277      4.126404 
1 1 1 13 7  24 o 106.5957 2.327427 113.8482       4.949244      110.5185       7.559181      117.1071       6.387401      105.0378 3.598315 108.1536 2.952929 -3.115837      4.654853 
1 1 1 13 7  25 o 129.9647 2.210131 169.1783       5.737042      166.7695       8.813140      171.5870       7.346645      129.0200 3.415417 130.9095 2.806001 -1.889557      4.420262 
1 1 1 13 7  26 o 66.49111 2.916250 44.38450       3.861770      42.53544       5.904237      46.23357       4.978999      65.08112 4.536061 67.90111 3.666361 -2.819992      5.832500 
1 1 1 13 7  27 o 157.4877 2.234580 248.5957       7.025717      243.3532       10.71888      253.9091       9.082352      155.7819 3.440347 159.1935 2.852613 -3.411636      4.469160 
1 1 1 13 7  28 o 125.2410 2.281025 157.5597       5.666197      144.3825       8.536844      170.7369       7.452912      119.9573 3.558285 130.5248 2.854980 -10.56751      4.562050 
1 1 1 13 7  29 o 60.59776 3.268644 37.26456       3.828474      30.35716       5.992085      44.17905       4.766464      54.85510 5.461740 66.34043 3.592427 -11.48533      6.537288 
1 1 1 13 7  30 o 102.3430 3.232686 106.1261       6.326474      89.97337       10.85348      122.2079       6.507129      94.30676 5.754350 110.3792 2.947626 -16.07241      6.465372 
1 1 1 13 7  31 o 85.79007 2.653941 74.03321       4.508587      70.30676       7.382068      77.71716       5.180908      83.55872 4.417294 88.02142 2.942981 -4.462692      5.307883 
1 1 1 13 7  32 o 141.4138 2.285314 200.9878       6.534760      214.0941       10.91724      187.9523       7.190785      145.9179 3.740885 136.9098 2.626103 9.008041       4.570628 
1 1 1 13 7  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 7  34 o 49.97859 6.196821 26.46776       6.009089      26.34024       11.32106      26.58820       4.028256      48.60914 11.75654 51.34804 3.922503 -2.738903      12.39364 
1 1 1 13 7  35 f 59.36429 6.116674 38.63188       5.903528      23.73314       10.92433      53.53061       4.471748      45.78997 11.84306 72.93861 3.065419 -27.14864      12.23335 
1 1 1 13 7  36 o 86.23753 4.089426 76.58364       6.612689      65.88602       12.27747      87.28126       4.923031      79.30811 7.740361 93.16695 2.642048 -13.85883      8.178852 
1 1 1 13 7  37 o 75.38851 4.171470 59.47453       6.669365      71.12856       12.48292      47.78507       4.708370      82.04411 7.607445 68.73292 3.425120 13.31119       8.342940 
1 1 1 13 7  38 o 158.6972 2.984470 257.0263       9.457831      258.8683       17.06660      255.1843       8.147196      158.2520 5.392225 159.1423 2.559719 -0.8903809     5.968940 
1 1 1 13 7  39 o 73.93491 3.410269 56.66906       4.906028      52.41126       8.529759      60.92685       4.856437      70.40628 6.057528 77.46352 3.134661 -7.057243      6.820538 
1 1 1 13 7  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 7  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 7  42 o 44.76633 4.684950 22.91842       4.072889      24.52660       7.091603      21.31023       4.003461      44.72762 8.236211 44.80505 4.467645 -0.7743835E-01 9.369900 
1 1 1 13 7  43 o 18.85299 5.820777 2.050968       4.169947      3.593268       6.148653      0.5083850      5.635734      20.25275 8.627986 17.45322 7.815604 2.799526       11.64155 
1 1 1 13 8  0  o 367.7124 4.830043 1353.143       35.50760      1353.143       35.50760      1353.143       35.50760      367.7124 4.830043 367.7124 4.830043 -0.000000      0.000000 
1 1 1 13 8  1  o 478.4945 3.982296 2291.133       38.15013      2262.087       49.15238      2320.180       58.35517      475.4855 5.168653 481.5035 6.059683 -6.018036      7.964592 
1 1 1 13 8  2  o 82.37717 3.404446 70.64681       5.406196      43.25806       7.155363      98.04973       8.104689      65.75111 5.441249 99.00323 4.093143 -33.25212      6.808892 
1 1 1 13 8  3  o 755.5526 6.446127 5718.623       97.41212      5795.135       139.6358      5642.110       135.8811      760.5984 9.179341 750.5069 9.052619 10.09149       12.89225 
1 1 1 13 8  4  o 250.6519 2.652611 628.4676       13.29764      622.3040       18.67479      634.6311       18.93692      249.4229 3.743599 251.8809 3.759102 -2.457932      5.305222 
1 1 1 13 8  5  o 269.4881 2.766022 726.1631       14.90582      717.6617       20.92767      735.3730       21.23938      267.8457 3.906664 271.1305 3.916820 -3.284729      5.532043 
1 1 1 13 8  6  o 373.8973 3.471078 1399.192       25.95767      1385.732       36.42859      1411.944       36.98827      372.1463 4.894391 375.6483 4.923257 -3.502045      6.942156 
1 1 1 13 8  7  o 570.4496 4.970326 3258.170       56.70448      3214.246       79.20491      3302.094       81.18858      566.6081 6.989391 574.2911 7.068591 -7.683044      9.940652 
1 1 1 13 8  8  o 421.2621 3.581289 1775.380       30.20838      1803.718       46.18397      1747.751       38.95776      424.5634 5.438995 417.9609 4.660456 6.602539       7.162578 
1 1 1 13 8  9  o 77.86818 3.080586 60.67890       4.765047      58.44019       7.842561      62.91760       5.410447      76.42532 5.130867 79.31105 3.410903 -2.885735      6.161173 
1 1 1 13 8  10 o 98.70145 2.772434 97.48296       5.507504      100.8127       9.231127      94.15324       6.013339      100.3810 4.598043 97.02184 3.098961 3.359200       5.544868 
1 1 1 13 8  11 o 524.3827 4.317720 2753.044       45.21339      2682.198       66.98412      2823.889       60.74974      517.6014 6.470627 531.1639 5.718550 -13.56244      8.635440 
1 1 1 13 8  12 o 136.1537 2.327513 185.4727       6.334976      184.0558       9.634944      186.8187       8.225125      135.6431 3.551578 136.6643 3.009245 -1.021133      4.655025 
1 1 1 13 8  13 o 345.2506 3.123627 1192.324       21.54402      1171.779       32.17788      1213.578       28.65688      342.2137 4.701430 348.2874 4.113969 -6.073669      6.247254 
1 1 1 13 8  14 o 214.4644 2.509593 460.0686       10.76138      460.6354       16.40066      459.5727       13.94941      214.5825 3.821528 214.3463 3.253944 0.2362061      5.019186 
1 1 1 13 8  15 o 195.1558 2.630433 381.0054       10.26547      376.8964       14.40283      385.1852       14.63661      194.0946 3.710258 196.2169 3.729703 -2.122253      5.260865 
1 1 1 13 8  16 o 307.1961 3.335973 944.3662       20.60886      973.4128       34.44493      916.0281       22.64920      311.8137 5.523319 302.5785 3.742699 9.235168       6.671945 
1 1 1 13 8  17 o 32.29612 6.067397 10.74013       4.207495      5.681783       5.831975      15.79847       6.067889      25.62228 9.072424 38.96996 8.058806 -13.34768      12.13479 
1 1 1 13 8  18 o 221.3977 2.432230 490.4612       10.76138      484.4393       16.32981      496.4830       14.01318      220.0284 3.710843 222.7670 3.145254 -2.738647      4.864460 
1 1 1 13 8  19 o 288.2790 2.742992 831.7224       15.80556      824.6379       23.75439      838.8069       20.85682      287.0355 4.137884 289.5226 3.601934 -2.487091      5.485983 
1 1 1 13 8  20 o 417.2734 3.583444 1744.917       29.89667      1737.124       45.14964      1752.001       39.19864      416.3252 5.422400 418.2217 4.686347 -1.896545      7.166887 
1 1 1 13 8  21 o 39.25270 4.900706 15.75597       3.759045      17.11619       5.362272      14.40283       5.270173      41.28715 6.493875 37.21826 7.341477 4.068890       9.801413 
1 1 1 13 8  22 o 237.4785 2.760164 564.9194       13.11344      565.7696       21.18271      563.9984       15.45842      237.6057 4.457534 237.3514 3.256442 0.2543182      5.520328 
1 1 1 13 8  23 o 222.5243 2.879955 496.3413       12.72379      478.1341       20.99143      514.5485       14.38866      218.3524 4.806776 226.6961 3.173556 -8.343643      5.759909 
1 1 1 13 8  24 o 132.0612 2.570435 0.000000       0.000000      ?              ?             174.5625       6.789093      ?        ?        132.0612 2.570435 ?              ?        
1 1 1 13 8  25 o 49.04180 4.985536 24.67537       4.590059      22.81923       8.246379      26.52443       4.040300      46.65163 9.164855 51.43196 3.927811 -4.780331      9.971071 
1 1 1 13 8  26 o 81.34081 3.393393 66.51654       5.445868      63.92360       9.776634      69.11655       4.805429      79.62187 6.139415 83.05973 2.892755 -3.437859      6.786785 
1 1 1 13 8  27 o 77.47887 3.480301 60.40969       5.295677      57.20748       9.500339      63.61189       4.682866      75.28201 6.309834 79.67573 2.938703 -4.393723      6.960601 
1 1 1 13 8  28 o 183.1071 2.815248 336.8688       10.36465      344.9452       17.76089      328.7924       10.67637      185.1143 4.797275 181.0998 2.947647 4.014496       5.630495 
1 1 1 13 8  29 o 116.9636 2.887223 137.5105       6.750837      137.6522       12.07202      137.2980       6.045928      116.8678 5.164818 117.0595 2.582417 -0.1916809     5.774446 
1 1 1 13 8  30 o 162.1873 2.741562 264.4650       8.947746      270.9828       15.92599      258.0181       8.161365      163.9296 4.857573 160.4451 2.543351 3.484482       5.483124 
1 1 1 13 8  31 o 211.2522 2.896877 449.1584       12.24913      452.4173       21.55819      445.9704       11.64695      211.6367 5.093207 210.8678 2.761671 0.7689209      5.793754 
1 1 1 13 8  32 o 230.3485 3.083893 534.8102       14.23988      541.4697       25.16421      528.2216       13.33306      231.2704 5.440431 229.4267 2.905735 1.843674       6.167786 
1 1 1 13 8  33 o 132.1494 3.529533 177.1838       9.160281      170.2410       16.93908      184.0558       6.983918      128.8897 6.571157 135.4091 2.578822 -6.519424      7.059067 
1 1 1 13 8  34 o 167.9481 2.938354 285.0101       9.982086      296.3454       18.30639      273.6041       7.955913      170.7583 5.360322 165.1378 2.408872 5.620590       5.876709 
1 1 1 13 8  35 o 124.7563 3.124725 157.9848       7.948828      168.3281       14.74997      147.5705       5.941785      128.2852 5.748895 121.2274 2.450678 7.057831       6.249449 
1 1 1 13 8  36 o 145.3537 3.142011 214.9443       9.117774      215.9361       16.61319      213.8816       7.502505      144.8814 5.733376 145.8259 2.572419 -0.9444427     6.284022 
1 1 1 13 8  37 o 114.8905 3.467760 135.0309       7.800055      129.5050       14.48075      140.5568       5.783092      111.5639 6.489892 118.2172 2.445961 -6.653259      6.935519 
1 1 1 13 8  38 o 93.50052 4.026753 90.89436       7.091603      80.12590       13.21263      101.7337       5.152570      86.53407 7.634349 100.4670 2.564311 -13.93290      8.053507 
1 1 1 13 8  39 o 113.8408 3.723264 134.8184       8.218040      127.0962       15.06169      142.4697       6.590019      108.9893 6.909711 118.6924 2.776091 -9.703148      7.446528 
1 1 1 13 8  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 8  41 o 51.00562 6.138633 31.78823       5.406196      19.27697       9.663282      44.29241       4.857145      36.63926 11.70171 65.37198 3.715006 -28.73272      12.27727 
1 1 1 13 8  42 o 59.66756 5.002487 41.04061       5.226957      34.77790       9.386987      47.30332       4.604937      51.80890 9.406017 67.52622 3.409739 -15.71732      10.00497 
1 1 1 13 8  43 o 45.97552 4.426980 24.51243       3.752669      22.93258       6.569473      26.09228       3.630107      42.23349 8.066275 49.71756 3.650729 -7.484066      8.853960 
1 1 1 13 9  0  o 333.4101 3.910961 1112.269       26.07102      1112.269       26.07102      1112.269       26.07102      333.4101 3.910961 333.4101 3.910961 0.000000       0.000000 
1 1 1 13 9  1  o 491.0526 3.769128 2412.987       37.02369      2376.856       51.66030      2449.118       53.04178      487.3778 5.299821 494.7274 5.360708 -7.349670      7.538255 
1 1 1 13 9  2  o 262.3586 2.450219 688.5443       12.85132      687.0565       20.36090      689.9612       15.69221      262.0727 3.884591 262.6445 2.987347 -0.5718079     4.900438 
1 1 1 13 9  3  o 431.1051 3.650568 1859.686       31.46943      1852.601       47.55128      1866.771       41.22481      430.2643 5.525823 431.9459 4.771988 -1.681641      7.301136 
1 1 1 13 9  4  o 279.5519 2.660357 781.4223       14.88457      788.5069       22.72005      775.0463       19.23446      280.7477 4.046346 278.3561 3.455010 2.391602       5.320715 
1 1 1 13 9  5  o 214.8091 2.339272 461.5563       10.05293      464.0359       15.31673      459.0768       13.02843      215.3817 3.555717 214.2366 3.040664 1.145111       4.678543 
1 1 1 13 9  6  o 712.9166 5.715374 5090.226       81.54280      5122.815       123.9791      5057.637       105.9135      715.1182 8.668432 710.7151 7.451195 4.403015       11.43075 
1 1 1 13 9  7  o 536.2998 4.715070 2879.148       50.58346      2932.990       72.89968      2825.306       70.15089      541.3099 6.733638 531.2898 6.601943 10.02008       9.430140 
1 1 1 13 9  8  o 271.0663 2.803517 735.3730       15.19629      739.6237       21.63612      730.4138       21.35274      271.9152 3.978468 270.2175 3.951027 1.697662       5.607034 
1 1 1 13 9  9  o 544.1147 4.778280 2964.162       51.99327      2951.410       73.32476      2976.206       73.74983      542.9772 6.752104 545.2523 6.762908 -2.275146      9.556560 
1 1 1 13 9  10 o 409.1893 3.764077 1676.197       30.81057      1710.203       44.39159      1641.483       42.74090      413.3818 5.369321 404.9968 5.276695 8.384979       7.528155 
1 1 1 13 9  11 o 489.3578 4.093199 2396.692       40.02753      2369.771       60.05545      2424.322       52.94260      486.5420 6.171662 492.1736 5.378448 -5.631561      8.186399 
1 1 1 13 9  12 o 644.4899 5.231371 4160.029       67.44460      4168.530       102.2296      4150.819       87.98971      645.1077 7.923451 643.8721 6.832856 1.235535       10.46274 
1 1 1 13 9  13 o 342.4622 3.365077 1173.905       23.05302      1189.491       33.02094      1157.610       32.17080      344.7869 4.788602 340.1375 4.729086 4.649323       6.730154 
1 1 1 13 9  14 o 240.7759 2.651629 580.1511       12.80881      599.9878       19.90041      560.3145       16.13144      244.8844 4.063226 236.6674 3.408041 8.216965       5.303258 
1 1 1 13 9  15 o 446.1275 3.805892 1992.875       33.92776      1963.828       50.78183      2021.213       45.00086      442.8833 5.733093 449.3718 5.007085 -6.488525      7.611784 
1 1 1 13 9  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 9  17 o 134.6091 2.768989 181.4345       7.424574      188.7316       9.493254      174.0666       11.41316      137.3414 3.456080 131.8767 4.327207 5.464630       5.537978 
1 1 1 13 9  18 o 68.60558 3.078991 47.55837       4.245751      56.73990       6.561680      38.37683       5.388484      75.29085 4.357555 61.92030 4.351145 13.37055       6.157983 
1 1 1 13 9  19 o 73.65606 2.895207 54.43744       4.225206      49.14530       6.321515      59.72957       5.608104      70.05907 4.511560 77.25304 3.629698 -7.193970      5.790413 
1 1 1 13 9  20 o 355.8281 3.178801 1268.129       22.63503      1279.464       34.49452      1257.502       29.32282      357.3185 4.826859 354.3376 4.137695 2.980804       6.357601 
1 1 1 13 9  21 o 343.2572 3.305102 1180.989       22.69171      1157.610       31.67488      1204.368       32.50377      339.8616 4.659967 346.6528 4.688231 -6.791199      6.610205 
1 1 1 13 9  22 o 158.4145 2.472327 251.3587       7.863815      258.7266       12.64586      243.9908       9.351563      160.7072 3.934442 156.1218 2.994958 4.585449       4.944654 
1 1 1 13 9  23 o 139.0832 2.279947 193.8324       6.319390      183.7724       9.394071      203.8924       8.451830      135.4568 3.467553 142.7095 2.961200 -7.252762      4.559893 
1 1 1 13 9  24 o 206.0119 2.376541 425.1419       9.783719      421.8830       14.83498      428.4008       12.76630      205.1946 3.614856 206.8291 3.086196 -1.634445      4.753082 
1 1 1 13 9  25 o 104.8825 3.072302 110.3768       6.434159      109.9517       11.15103      110.8727       6.424950      104.5655 5.332081 105.1995 3.053697 -0.6340714     6.144604 
1 1 1 13 9  26 o 171.0804 2.894264 293.8658       9.854564      286.1437       16.03226      301.5879       11.46984      168.7174 4.751218 173.4434 3.306506 -4.726013      5.788527 
1 1 1 13 9  27 o 216.2497 2.823832 469.6327       12.09327      452.4882       20.82848      486.7772       12.29872      212.0825 4.910467 220.4170 2.789877 -8.334473      5.647663 
1 1 1 13 9  28 o 125.2316 2.812984 157.7014       7.169532      167.5488       12.89382      147.9247       6.271215      128.9598 4.999164 121.5034 2.580675 7.456390       5.625969 
1 1 1 13 9  29 o 50.77949 5.204858 26.61653       5.059763      26.32607       9.238212      26.91408       4.124607      49.80987 9.616673 51.74910 3.985196 -1.939232      10.40972 
1 1 1 13 9  30 o 144.6286 2.907391 210.3393       8.423491      212.3230       15.12545      208.4265       7.424574      145.0487 5.213918 144.2086 2.574249 0.8401794      5.814783 
1 1 1 13 9  31 o 166.6810 2.907854 279.6967       9.620775      273.3915       17.03827      286.0020       8.933578      164.4786 5.179478 168.8833 2.644896 -4.404739      5.815708 
1 1 1 13 9  32 o 79.67664 4.960056 65.03587       7.573349      59.26199       14.16195      70.80976       5.371481      75.40977 9.389997 83.94350 3.199463 -8.533730      9.920112 
1 1 1 13 9  33 o 84.59774 4.234744 72.97054       7.148279      73.53729       13.38974      72.40377       4.999545      84.30691 7.941069 84.88857 2.944769 -0.5816650     8.469488 
1 1 1 13 9  34 o 99.51469 3.622787 100.6002       7.254546      103.4340       13.55268      97.83719       5.175949      100.3225 6.754561 98.70692 2.621877 1.615540       7.245574 
1 1 1 13 9  35 o 62.97159 5.222968 41.18230       6.397319      39.60246       12.07202      42.76215       4.232999      60.79883 9.927838 65.14436 3.248938 -4.345528      10.44594 
1 1 1 13 9  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 9  37 o 52.54305 6.070843 30.18005       6.165656      31.61820       11.65403      28.74189       4.036758      51.88137 11.53382 53.20473 3.793609 -1.323357      12.14169 
1 1 1 13 9  38 o 35.91784 6.446079 12.72379       5.966581      5.999878       11.07310      19.45408       4.443409      28.50397 11.82876 43.33171 5.127204 -14.82774      12.89216 
1 1 1 13 9  39 o 41.29682 6.157122 17.08786       6.411489      1.328347       11.85240      32.85091       4.885483      26.08021 11.53071 56.51343 4.322409 -30.43322      12.31424 
1 1 1 13 9  40 o 73.71935 5.591171 62.47836       6.648112      44.02319       12.09327      80.97604       5.521673      58.46979 10.74315 88.96889 3.103148 -30.49911      11.18234 
1 1 1 13 9  41 o 31.37263 6.404568 12.06493       4.859979      12.34123       8.898154      11.78864       3.917738      30.41445 11.16232 32.33081 6.283041 -1.916353      12.80914 
1 1 1 13 9  42 o 51.42380 5.580908 31.81657       4.971206      26.24814       9.096521      37.38500       4.021172      42.85715 10.64676 59.99045 3.351510 -17.13329      11.16182 
1 1 1 13 9  43 o 19.78836 5.972644 5.380691       4.349185      9.790804       8.111773      0.9705790      3.134191      25.18554 10.24268 14.39118 6.146336 10.79436       11.94529 
1 1 1 13 10 0  o 443.2444 4.899432 1965.954       43.42101      1965.954       43.42101      1965.954       43.42101      443.2444 4.899432 443.2444 4.899432 -0.000000      0.000000 
1 1 1 13 10 1  o 200.8859 2.122161 403.6758       8.529759      403.9592       12.02243      403.3216       12.09327      200.9654 2.991168 200.8064 3.011177 0.1589661      4.244323 
1 1 1 13 10 2  o 547.9398 4.160269 3005.253       45.58887      2999.585       64.34867      3010.212       64.60371      547.4559 5.877065 548.4238 5.889945 -0.9678345     8.320538 
1 1 1 13 10 3  o 209.1967 2.351968 437.8232       9.868733      423.8667       12.54668      451.8506       15.23171      205.8577 3.047416 212.5356 3.583333 -6.677887      4.703936 
1 1 1 13 10 4  o 408.2725 3.241394 1667.696       26.46776      1684.698       37.75340      1650.693       37.10870      410.3531 4.600111 406.1918 4.567880 4.161255       6.482789 
1 1 1 13 10 5  o 973.5697 7.368960 9500.339       143.5323      9535.762       227.6964      9464.916       174.8459      975.0981 11.67556 972.0413 8.993749 3.056763       14.73792 
1 1 1 13 10 6  o 513.6851 4.072167 2640.400       41.93326      2687.866       67.16831      2593.642       50.22923      518.2206 6.480668 509.1496 4.932659 9.070984       8.144335 
1 1 1 13 10 7  o 606.9738 4.936152 3688.200       59.95627      3722.206       91.46112      3654.194       77.57547      609.7218 7.500234 604.2256 6.419413 5.496155       9.872303 
1 1 1 13 10 8  o 224.1145 2.406852 502.5757       10.76138      482.9516       16.02518      522.2707       14.36032      219.7249 3.646646 228.5041 3.142246 -8.779190      4.813703 
1 1 1 13 10 9  o 322.5613 2.962359 1040.716       19.14237      1061.261       29.48576      1020.879       24.42033      325.6763 4.526852 319.4464 3.822289 6.229828       5.924718 
1 1 1 13 10 10 o 188.5134 4.472136 355.5720       16.86115      355.5720       16.86115      ?              ?             188.5134 4.472136 ?        ?        ?              ?        
1 1 1 13 10 11 o 546.4149 4.529031 2988.958       49.51369      3010.920       75.45012      2966.996       64.16447      548.3771 6.879401 544.4527 5.892567 3.924377       9.058063 
1 1 1 13 10 12 o 56.96022 5.910388 33.71522       5.987834      24.29990       10.13795      43.13054       6.376066      48.26672 10.77737 65.65373 4.855829 -17.38702      11.82078 
1 1 1 13 10 13 o 387.8655 3.453167 1506.877       26.70863      1426.822       39.03569      1586.224       36.47110      377.5818 5.169170 398.1491 4.580080 -20.56732      6.906334 
1 1 1 13 10 14 o 343.8394 3.160232 1183.115       21.72113      1176.030       32.76590      1190.199       28.52935      342.7923 4.779264 344.8866 4.136048 -2.094360      6.320464 
1 1 1 13 10 15 o 337.0914 4.057256 0.000000       0.000000      ?              ?             1137.065       27.35332      ?        ?        337.0914 4.057256 ?              ?        
1 1 1 13 10 16 o 426.5615 3.932453 1822.138       33.54519      1829.223       47.69297      1815.053       47.19706      427.3888 5.579577 425.7343 5.543018 1.654510       7.864905 
1 1 1 13 10 17 o 126.8346 2.363405 160.9602       5.989960      159.2599       9.075267      162.6605       7.821308      126.1593 3.596749 127.5098 3.066943 -1.350517      4.726811 
1 1 1 13 10 18 o 179.4663 2.318167 322.2747       8.317224      321.6371       12.61753      322.9123       10.84640      179.2806 3.518933 179.6520 3.018724 -0.3714294     4.636333 
1 1 1 13 10 19 o 265.5795 3.001362 706.2556       15.98267      717.6617       26.27648      695.1329       18.20721      267.6320 4.909069 263.5269 3.454526 4.105103       6.002725 
1 1 1 13 10 20 o 448.0215 4.067524 2014.129       36.44276      1999.251       51.38401      2028.298       51.70281      446.4052 5.755309 449.6378 5.749384 -3.232605      8.135048 
1 1 1 13 10 21 o 150.1749 2.274713 225.9961       6.863481      241.1570       10.59135      210.9061       8.735210      155.1947 3.412280 145.1551 3.008924 10.03961       4.549426 
1 1 1 13 10 22 o 75.86734 2.863432 57.73882       4.360521      61.57154       6.642444      53.90610       5.652028      78.38091 4.237284 73.35376 3.852583 5.027153       5.726864 
1 1 1 13 10 23 o 317.3981 2.970051 1009.544       18.84482      1001.751       28.45142      1018.045       24.71080      316.0603 4.500948 318.7359 3.876375 -2.675598      5.940103 
1 1 1 13 10 24 o 91.01812 2.536685 83.03055       4.612730      81.89703       6.994544      84.16407       6.014756      90.38033 3.869506 91.65591 3.281161 -1.275589      5.073371 
1 1 1 13 10 25 o 157.7029 2.270581 249.3042       7.169532      252.5631       10.95267      245.9744       9.252379      158.7179 3.450357 156.6879 2.952487 2.029968       4.541161 
1 1 1 13 10 26 o 108.6171 3.174516 118.5948       6.803971      112.9981       11.78864      124.1916       6.803971      105.9152 5.565128 111.3190 3.056069 -5.403770      6.349032 
1 1 1 13 10 27 o 43.00762 6.169495 19.25572       5.163197      12.97884       9.153197      25.53969       4.782758      35.63573 11.38943 50.37951 4.746730 -14.74377      12.33899 
1 1 1 13 10 28 o 109.2294 3.162682 120.0826       6.835143      115.6193       11.86657      124.4750       6.790511      107.0429 5.542904 111.4160 3.047368 -4.373108      6.325365 
1 1 1 13 10 29 o 174.9036 2.844682 307.6806       9.946663      307.7514       17.61920      307.6097       9.216957      174.6358 5.044555 175.1715 2.630839 -0.5356903     5.689363 
1 1 1 13 10 30 o 146.9012 2.932267 217.1405       8.600604      216.5737       15.35923      217.7072       7.736294      146.4370 5.244313 147.3653 2.624869 -0.9282837     5.864534 
1 1 1 13 10 31 o 67.57955 6.079752 50.14421       6.352687      27.04869       11.51234      73.25391       5.367939      49.73681 11.74655 85.42229 3.142002 -35.68547      12.15950 
1 1 1 13 10 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 10 33 o 116.5550 3.492123 137.7230       8.189702      141.1944       15.26714      134.1808       5.922657      117.4802 6.497749 115.6298 2.561043 1.850433       6.984246 
1 1 1 13 10 34 o 67.35825 4.877028 46.76490       6.354813      43.92401       11.88782      49.61288       4.496543      64.51437 9.213313 70.20213 3.202569 -5.687767      9.754055 
1 1 1 13 10 35 o 118.7559 3.319462 143.8157       8.104689      156.6387       15.14670      130.9219       5.771757      123.3722 6.138618 114.1396 2.528377 9.232674       6.638924 
1 1 1 13 10 36 o 60.64225 8.104986 42.25206       9.741212      45.24173       18.41266      39.26240       6.348436      59.44284 15.37587 61.84166 5.132815 -2.398819      16.20997 
1 1 1 13 10 37 o 77.45357 4.353106 62.75466       6.873399      67.86259       13.01426      57.64672       4.420031      79.35419 8.200109 75.55294 2.925122 3.801247       8.706212 
1 1 1 13 10 38 o 119.5115 3.492022 148.6332       8.536844      162.7314       15.55052      134.6058       7.046261      123.8360 6.278671 115.1870 3.058619 8.649055       6.984043 
1 1 1 13 10 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 10 40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 10 41 o 17.99413 6.959296 0.000000       0.000000      ?              ?             2.942200       3.568472      ?        ?        17.99413 6.959296 ?              ?        
1 1 1 13 10 42 f 45.96883 6.171177 27.45959       5.318347      19.29823       9.216957      35.62804       5.304179      34.51911 11.44551 57.41856 4.618871 -22.89945      12.34235 
1 1 1 13 10 43 o 17.43857 5.340669 1.937616       4.157903      1.296467       7.870899      2.579473       2.682199      19.05919 8.800083 15.81795 6.053885 3.241248       10.68134 
1 1 1 13 11 0  o 234.3146 3.219885 549.4044       15.08294      549.4044       15.08294      549.4044       15.08294      234.3146 3.219885 234.3146 3.219885 -0.000000      0.000000 
1 1 1 13 11 1  o 259.3549 2.397020 672.8167       12.43333      669.5578       17.52001      676.0756       17.64754      258.7269 3.385812 259.9830 3.393979 -1.256073      4.794040 
1 1 1 13 11 2  o 314.6049 2.689033 989.7072       16.91783      988.9987       23.95275      991.1240       23.90316      314.4359 3.808845 314.7739 3.796878 -0.3379822     5.378065 
1 1 1 13 11 3  o 237.6637 2.300371 565.2028       10.93850      586.5981       15.90474      543.7368       15.02626      242.1708 3.283786 233.1565 3.222355 9.014252       4.600742 
1 1 1 13 11 4  o 332.0054 3.012802 1103.059       20.01376      1108.019       30.30757      1097.392       26.14187      332.7963 4.553472 331.2146 3.946365 1.581665       6.025604 
1 1 1 13 11 5  o 310.7291 2.680900 965.6198       16.66279      988.9987       24.00235      942.9493       23.12387      314.4322 3.816776 307.0261 3.765782 7.406158       5.361800 
1 1 1 13 11 6  o 369.9185 3.030679 1369.437       22.42250      1387.857       32.08578      1350.309       31.33482      372.4540 4.307348 367.3828 4.264601 5.071198       6.061358 
1 1 1 13 11 7  o 42.96855 3.881613 18.53310       3.363021      20.54510       5.270173      16.52110       4.178449      45.30569 5.816238 40.63141 5.141894 4.674274       7.763227 
1 1 1 13 11 8  o 350.9066 3.028213 1231.998       21.24647      1228.455       33.63729      1235.540       25.95767      350.3787 4.800134 351.4344 3.693104 -1.055756      6.056427 
1 1 1 13 11 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 11 10 o 461.6705 3.931511 2133.148       36.27982      2114.729       54.69248      2151.568       47.67880      459.6503 5.949358 463.6906 5.141230 -4.040375      7.863021 
1 1 1 13 11 11 o 314.3939 3.474076 989.7072       22.06119      1040.007       37.25748      939.4071       23.64104      322.3502 5.779039 306.4377 3.857398 15.91251       6.948151 
1 1 1 13 11 12 o 314.6775 3.025383 991.1240       19.03610      988.2903       29.01818      993.2495       24.64704      314.2694 4.616769 315.0856 3.911165 -0.8161926     6.050766 
1 1 1 13 11 13 o 310.9804 2.980540 967.7452       18.51893      954.9930       28.01927      980.4973       24.22197      308.9158 4.535098 313.0450 3.868767 -4.129181      5.961080 
1 1 1 13 11 14 o 152.1291 2.420264 231.6637       7.396237      242.2905       11.61861      221.0369       9.160281      155.6134 3.733166 148.6448 3.081265 6.968536       4.840529 
1 1 1 13 11 15 o 431.9911 4.247608 1869.604       36.74739      1884.482       60.59388      1854.018       41.59320      433.6267 6.986871 430.3555 4.832424 3.271271       8.495216 
1 1 1 13 11 16 o 380.6132 4.045115 1450.909       30.78223      1455.160       38.88692      1446.659       47.72839      381.2311 5.100177 379.9953 6.280130 1.235779       8.090231 
1 1 1 13 11 17 o 299.1766 2.860722 895.4830       17.11619      896.1915       25.90100      895.4830       22.38708      299.2172 4.328127 299.1361 3.741955 0.8108521E-01  5.721443 
1 1 1 13 11 18 o 133.7883 2.235823 179.1674       5.956663      173.4290       9.379901      184.9059       7.346645      131.6322 3.562919 135.9444 2.702078 -4.312119      4.471646 
1 1 1 13 11 19 o 197.2058 2.665141 389.4359       10.52759      393.0490       17.19412      385.8228       12.14995      198.0772 4.340258 196.3343 3.094198 1.742905       5.330282 
1 1 1 13 11 20 o 135.2538 2.463945 183.2056       6.665114      184.7642       9.549930      181.5762       9.301972      135.8408 3.515118 134.6668 3.453700 1.174042       4.927889 
1 1 1 13 11 21 f 310.7742 2.925730 967.7452       18.18596      967.7452       27.55169      967.7452       23.74022      310.7281 4.433409 310.8203 3.818962 -0.9222412E-01 5.851460 
1 1 1 13 11 22 o 40.96605 4.919256 18.59686       3.808637      29.06069       5.824182      8.125941       4.908862      53.80421 5.412385 28.12788 8.215984 25.67633       9.838511 
1 1 1 13 11 23 o 29.97507 5.705567 9.110690       3.715830      5.027174       5.511755      13.19846       4.984667      24.40306 8.801778 35.54708 7.262418 -11.14402      11.41113 
1 1 1 13 11 24 o 158.0402 2.356571 250.2960       7.459997      254.1216       11.51234      246.5412       9.486169      159.2060 3.615549 156.8744 3.023493 2.331635       4.713141 
1 1 1 13 11 25 o 178.0067 2.340497 317.6698       8.338477      319.5826       12.79464      315.7570       10.69054      178.5038 3.583856 177.5095 3.011258 0.9943085      4.680994 
1 1 1 13 11 26 o 156.1962 2.315875 244.6992       7.219123      237.7564       10.91724      251.5712       9.443663      153.9555 3.545583 158.4369 2.980260 -4.481369      4.631751 
1 1 1 13 11 27 o 78.59457 2.795919 62.08163       4.407279      64.22115       6.808930      59.93502       5.598186      79.92234 4.259717 77.26679 3.622634 2.655548       5.591839 
1 1 1 13 11 28 f 151.5174 2.899793 231.0261       8.919409      246.3995       15.56469      215.6527       8.735210      156.3818 4.976502 146.6530 2.978190 9.728790       5.799585 
1 1 1 13 11 29 o 33.16164 7.103332 11.82406       5.438785      15.23171       9.769550      8.409323       4.775673      38.01079 11.70528 28.31250 8.050822 9.698292       14.20666 
1 1 1 13 11 30 o 26.54585 7.039500 5.413280       5.620856      5.309138       10.42133      5.517423       4.220956      29.45911 11.75696 23.63259 7.745460 5.826529       14.07900 
1 1 1 13 11 31 o 150.9667 2.796890 0.000000       0.000000      ?              ?             228.6882       8.444746      ?        ?        150.9667 2.796890 ?              ?        
1 1 1 13 11 32 o 46.82271 4.427744 22.42958       4.168531      23.77564       6.543969      21.09061       5.166030      48.13430 6.797615 45.51112 5.675570 2.623188       8.855488 
1 1 1 13 11 33 o 97.45416 3.786357 96.56198       7.318307      95.42845       13.60936      97.62466       5.375024      96.31374 7.065118 98.59460 2.725821 -2.280861      7.572714 
1 1 1 13 11 34 o 98.15968 3.774029 98.26226       7.459997      101.6628       13.81481      94.93254       5.651320      99.17104 6.965143 97.14833 2.908604 2.022705       7.548059 
1 1 1 13 11 35 o 73.41922 4.924130 56.21565       7.254546      58.32684       13.32598      54.09738       5.739877      73.78003 9.030884 73.05842 3.928279 0.7216110      9.848261 
1 1 1 13 11 36 o 39.43514 6.926102 16.76905       6.213830      16.01101       11.69654      17.53418       4.197577      37.50359 12.88961 41.36670 5.073618 -3.863110      13.85220 
1 1 1 13 11 37 o 21.11936 6.645864 0.9386986E-01  6.114647      -0.8345562     11.58319      1.022296       3.930490      25.33547 11.27859 16.90326 7.033024 8.432215       13.29173 
1 1 1 13 11 38 o 181.5323 3.340246 340.5528       12.01534      330.9887       20.14128      350.0460       13.11344      177.7008 5.667191 185.3638 3.537218 -7.662994      6.680491 
1 1 1 13 11 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 11 40 o 37.26569 6.920792 18.45517       5.710830      22.24539       10.47092      14.66495       4.561721      38.70463 12.15861 35.82675 6.614958 2.877880       13.84158 
1 1 1 13 11 41 o 23.28829 7.302420 9.528677       6.925824      20.58052       13.46767      -1.518212      3.236208      34.06397 13.43723 12.51261 5.722085 21.55136       14.60484 
1 1 1 13 11 42 o 60.69293 6.351796 48.81233       7.502505      58.97861       14.21863      38.63896       4.811096      61.12522 12.06010 60.26065 3.991905 0.8645744      12.70359 
1 1 1 13 12 0  o 253.9485 3.389499 645.3287       17.20829      645.3287       17.20829      645.3287       17.20829      253.9485 3.389499 253.9485 3.389499 -0.000000      0.000000 
1 1 1 13 12 1  o 394.3231 3.184793 1555.760       25.12170      1528.839       34.91250      1582.681       36.13104      390.9127 4.465512 397.7334 4.542118 -6.820740      6.369586 
1 1 1 13 12 2  o 624.5594 4.702177 3904.986       58.73774      3866.021       82.25125      3943.951       83.88069      621.4466 6.617725 627.6724 6.681885 -6.225769      9.404354 
1 1 1 13 12 3  o 490.0686 3.803117 2403.069       37.27873      2401.652       52.67339      2405.194       52.75841      489.8882 5.376062 490.2491 5.380776 -0.3608398     7.606234 
1 1 1 13 12 4  o 405.5160 3.262530 1645.734       26.46067      1636.524       37.26456      1654.235       37.57628      404.4250 4.607104 406.6069 4.620714 -2.181885      6.525060 
1 1 1 13 12 5  o 714.4519 5.330633 5112.188       76.15857      5115.730       107.7555      5109.354       107.6847      714.6746 7.538782 714.2292 7.538524 0.4454346      10.66127 
1 1 1 13 12 6  o 141.4337 2.227041 200.1376       6.298845      197.1621       8.862731      203.0423       8.954830      140.3946 3.156365 142.4729 3.142642 -2.078354      4.454082 
1 1 1 13 12 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 12 8  o 667.9460 5.019272 4467.497       67.05496      4491.584       95.35760      4443.410       94.29493      669.7441 7.118959 666.1479 7.077628 3.596252       10.03854 
1 1 1 13 12 9  o 561.1453 4.306046 3151.902       48.33058      3178.115       68.88985      3125.689       67.79884      563.4766 6.112929 558.8138 6.066317 4.662781       8.612091 
1 1 1 13 12 10 o 445.8534 3.695194 1989.333       32.95718      1992.875       52.36876      1985.790       40.02753      446.2072 5.868211 445.4997 4.492430 0.7074585      7.390388 
1 1 1 13 12 11 o 479.9763 3.908727 2306.010       37.50544      2297.509       59.33284      2314.512       45.88642      479.0323 6.192989 480.9203 4.770689 -1.888031      7.817454 
1 1 1 13 12 12 o 456.6698 3.915845 2087.807       35.76973      2090.641       54.35950      2084.974       46.50277      456.9405 5.948204 456.3991 5.094530 0.5414124      7.831689 
1 1 1 13 12 13 o 348.6777 3.193038 1217.120       22.26664      1213.578       33.83566      1219.954       28.94025      348.1983 4.858676 349.1572 4.144302 -0.9588928     6.386076 
1 1 1 13 12 14 o 334.7897 3.094129 1122.188       20.70096      1112.269       31.29231      1131.397       27.11953      333.3407 4.693743 336.2387 4.032780 -2.897980      6.188258 
1 1 1 13 12 15 o 185.5820 2.928479 344.8035       10.82514      334.0350       17.06660      355.5011       13.31889      182.6721 4.671375 188.4918 3.533016 -5.819687      5.856957 
1 1 1 13 12 16 o 198.8717 2.405139 395.7411       9.557014      392.5531       14.45950      398.9292       12.51126      198.0617 3.650252 199.6818 3.132800 -1.620041      4.810277 
1 1 1 13 12 17 o 104.4389 2.575917 109.1724       5.381400      109.1016       8.274716      109.2433       6.878358      104.3965 3.963120 104.4814 3.291667 -0.8489227E-01 5.151834 
1 1 1 13 12 18 o 373.3433 3.323642 1396.359       24.80290      1385.023       37.46293      1408.402       32.51085      371.7243 5.039074 374.9623 4.335217 -3.237946      6.647283 
1 1 1 13 12 19 o 320.6589 2.989517 1030.089       19.17071      1026.547       29.08903      1033.631       24.96584      320.0625 4.544274 321.2553 3.885670 -1.192871      5.979035 
1 1 1 13 12 20 f 150.4610 2.213898 226.7754       6.706913      237.9690       10.84640      215.5819       7.892153      154.1548 3.518021 146.7672 2.688663 7.387589       4.427796 
1 1 1 13 12 21 o 163.5053 2.531760 268.6449       8.494337      298.9666       14.85623      238.3232       8.246379      172.7035 4.301080 154.3072 2.672066 18.39636       5.063519 
1 1 1 13 12 22 o 267.6746 2.996755 718.3701       16.06769      726.1631       26.29773      710.5771       18.47642      269.0128 4.887822 266.3364 3.468625 2.676361       5.993510 
1 1 1 13 12 23 o 100.4933 2.736702 101.2378       5.486959      99.11240       8.586436      103.4340       6.830184      99.38781 4.319662 101.5988 3.361349 -2.211021      5.473404 
1 1 1 13 12 24 o 141.8083 2.347337 201.5545       6.653071      199.5708       10.01751      203.6090       8.756464      141.0733 3.550462 142.5432 3.071512 -1.469910      4.694674 
1 1 1 13 12 25 o 71.80170 2.941936 51.76657       4.228040      52.75132       6.262005      50.78891       5.682492      72.47076 4.320367 71.13263 3.994293 1.338127       5.883872 
1 1 1 13 12 26 o 52.31240 3.647296 27.99801       3.802261      34.85583       5.785926      21.13312       4.934367      58.83990 4.916668 45.78490 5.388640 13.05500       7.294591 
1 1 1 13 12 27 o 46.92903 4.033203 22.32332       3.739917      19.51785       5.533009      25.12170       5.032842      43.92301 6.298530 49.93505 5.039388 -6.012043      8.066406 
1 1 1 13 12 28 o 208.2983 2.478679 435.7687       10.33631      442.1447       15.90474      429.4635       13.21263      209.7367 3.791598 206.8600 3.193615 2.876663       4.957357 
1 1 1 13 12 29 o 217.5871 3.109458 476.7172       13.46767      468.1449       22.77672      485.2895       14.38157      215.2988 5.289562 219.8754 3.270391 -4.576614      6.218916 
1 1 1 13 12 30 o 185.1995 3.144913 345.7953       11.51943      329.9968       19.44700      361.5938       12.34832      180.6359 5.382929 189.7632 3.253612 -9.127274      6.289826 
1 1 1 13 12 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 12 32 o 75.29555 3.160785 57.34209       4.779924      59.97045       7.509589      54.71373       5.919114      76.94462 4.879866 73.64647 4.018600 3.298149       6.321569 
1 1 1 13 12 33 o 126.2903 2.477708 160.7477       6.269798      164.2191       9.734127      157.2763       7.906322      127.5640 3.815388 125.0165 3.162112 2.547577       4.955416 
1 1 1 13 12 34 f 186.5017 3.206813 353.1632       11.83823      341.9697       20.48843      364.3568       11.86657      182.8073 5.603831 190.1961 3.119562 -7.388748      6.413625 
1 1 1 13 12 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 12 36 o 22.80659 7.669914 0.8834394      8.742295      4.201119       17.06660      -2.434240      3.778882      32.16607 14.04710 13.44711 6.163539 18.71896       15.33983 
1 1 1 13 12 37 o 72.59724 5.851319 60.54429       9.613690      83.03055       18.72438      38.05803       4.391693      84.05748 11.13784 61.13700 3.591682 22.92048       11.70264 
1 1 1 13 12 38 o 64.46552 7.824294 49.37200       9.216957      45.78015       17.62628      52.97094       5.406904      56.94409 15.19127 71.98694 3.755476 -15.04285      15.64859 
1 1 1 13 12 39 o 78.68398 6.240634 72.97054       9.592437      78.70899       18.37724      67.18248       5.496878      76.51132 12.00949 80.85664 3.399150 -4.345322      12.48127 
1 1 1 13 12 40 o 38.01472 6.286226 15.04752       6.855688      4.551803       13.10636      25.53969       4.026840      26.52164 11.89651 49.50781 4.066874 -22.98617      12.57245 
1 1 1 13 12 41 o 41.29000 6.177845 21.61486       5.183033      19.76581       9.719957      23.45684       3.602477      35.30033 11.75367 47.27967 3.809753 -11.97934      12.35569 
1 1 1 13 12 42 o 24.56408 5.861073 7.736294       4.448369      7.899237       8.402238      7.566265       2.925197      23.90147 10.13051 25.22670 5.897575 -1.325235      11.72215 
1 1 1 13 13 0  o 148.8314 4.227356 222.0997       12.56085      222.0997       12.56085      222.0997       12.56085      148.8314 4.227356 148.8314 4.227356 -0.000000      0.000000 
1 1 1 13 13 1  o 503.1058 3.906140 2533.424       39.30490      2561.053       56.16605      2505.794       55.00420      505.8472 5.551682 500.3645 5.496413 5.482697       7.812281 
1 1 1 13 13 2  o 75.39360 2.999650 56.88160       4.524173      58.43310       6.515631      55.33009       6.278300      76.42183 4.262938 74.36538 4.221251 2.056450       5.999300 
1 1 1 13 13 3  o 332.6852 2.868136 1107.310       19.08569      1105.185       26.91408      1109.436       27.06286      332.3662 4.048859 333.0042 4.063440 -0.6380005     5.736271 
1 1 1 13 13 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 5  o 372.8691 3.116256 1390.691       23.23722      1392.816       32.90050      1389.274       32.82966      373.1064 4.408997 372.6318 4.405107 0.4745483      6.232513 
1 1 1 13 13 6  o 47.49289 4.846580 22.68463       4.580141      19.65954       6.398028      25.70972       6.555304      44.30881 7.219815 50.67696 6.467736 -6.368156      9.693159 
1 1 1 13 13 7  o 317.6015 3.046558 1008.835       19.34782      1008.835       25.48301      1009.544       29.13154      317.5558 4.012367 317.6472 4.585518 -0.9133911E-01 6.093116 
1 1 1 13 13 8  o 105.7339 2.999246 112.0062       6.332850      120.3660       9.011506      103.6465       8.898154      109.6868 4.107835 101.7811 4.371222 7.905746       5.998491 
1 1 1 13 13 9  o 713.0267 5.351823 5093.060       76.30025      5082.433       107.7555      5102.979       108.1097      712.3084 7.563825 713.7451 7.573414 -1.436646      10.70365 
1 1 1 13 13 10 f 401.2697 3.302369 1611.728       26.50318      1607.477       37.42751      1615.270       37.53378      400.7845 4.669281 401.7547 4.671230 -0.9701843     6.604739 
1 1 1 13 13 11 o 209.7116 2.374095 440.1611       9.967916      458.1558       14.49492      422.1664       13.67312      213.9994 3.386674 205.4239 3.328025 8.575455       4.748190 
1 1 1 13 13 12 o 342.0405 6.184757 0.000000       0.000000      ?              ?             1171.779       42.30874      ?        ?        342.0405 6.184757 ?              ?        
1 1 1 13 13 13 o 130.6486 2.406192 170.8786       6.322932      177.3255       10.26547      164.3608       7.382068      133.1182 3.855770 128.1789 2.879595 4.939316       4.812383 
1 1 1 13 13 14 o 264.4110 3.012018 699.7378       15.94725      703.4218       27.29665      696.0539       16.49276      265.0547 5.149247 263.7673 3.126384 1.287415       6.024037 
1 1 1 13 13 15 o 121.0908 2.512689 146.7204       6.101895      150.9711       9.549930      142.5405       7.601687      122.8225 3.887696 119.3592 3.184375 3.463326       5.025378 
1 1 1 13 13 16 o 188.6959 2.401696 356.4221       9.082352      365.0652       14.08402      347.7081       11.47692      190.9809 3.687286 186.4109 3.078393 4.569992       4.803392 
1 1 1 13 13 17 o 101.1105 2.584677 102.3713       5.237584      104.7800       8.097604      99.96254       6.645278      102.2897 3.958172 99.93134 3.324922 2.358360       5.169355 
1 1 1 13 13 18 o 23.37513 5.991014 4.395235       3.731416      7.233293       5.827724      1.560011       4.663030      27.47788 9.101041 19.27238 7.793591 8.205503       11.98203 
1 1 1 13 13 19 o 285.7407 2.806502 817.5534       16.02518      811.1773       24.26447      824.6379       20.94892      284.5269 4.264004 286.9545 3.650216 -2.427643      5.613004 
1 1 1 13 13 20 o 72.33758 3.098922 52.62380       4.515672      58.61730       7.025008      46.63030       5.676116      76.46195 4.593793 68.21320 4.160570 8.248749       6.197845 
1 1 1 13 13 21 o 129.3913 2.766947 167.9031       7.212039      178.3173       11.56193      157.5597       8.628942      133.3624 4.334779 125.4202 3.440012 7.942192       5.533895 
1 1 1 13 13 22 o 83.37413 2.793701 69.69749       4.671531      71.90786       7.233293      67.51546       5.912738      84.66944 4.271490 82.07881 3.601866 2.590630       5.587402 
1 1 1 13 13 23 o 336.8741 3.373708 1140.607       22.73422      1144.150       38.32016      1136.357       24.48409      337.1150 5.683545 336.6333 3.636612 0.4816895      6.747416 
1 1 1 13 13 24 o 144.3482 2.266105 208.9224       6.512089      201.8379       10.27255      216.0069       8.005506      141.8522 3.620864 146.8441 2.725852 -4.991913      4.532209 
1 1 1 13 13 25 o 181.9078 2.408465 331.9805       8.784801      343.0323       13.54560      320.9286       11.19354      184.8945 3.663062 178.9212 3.128064 5.973297       4.816930 
1 1 1 13 13 26 o 182.5966 2.299434 334.6018       8.345562      319.3701       13.12053      349.9043       10.31506      178.3487 3.678336 186.8445 2.760333 -8.495773      4.598868 
1 1 1 13 13 27 o 19.42791 5.837389 0.1601809      3.970164      -0.9209872     5.445160      1.241207       5.779550      18.22181 7.946221 20.63401 8.553246 -2.412201      11.67478 
1 1 1 13 13 28 o 88.27841 2.890350 78.42561       5.100144      74.38744       7.162447      82.46378       7.261631      85.99467 4.164472 90.56214 4.009198 -4.567467      5.780700 
1 1 1 13 13 29 o 81.33510 3.096892 66.65823       5.036384      65.38302       7.119940      67.94053       7.127024      80.54930 4.419617 82.12090 4.339349 -1.571594      6.193784 
1 1 1 13 13 30 o 65.93668 5.743147 44.88042       7.743378      49.81124       13.46767      39.95668       7.644195      69.16643 9.735697 62.70693 6.095175 6.459496       11.48629 
1 1 1 13 13 31 o 77.66673 8.830007 66.33234       12.97175      66.34651       24.74622      66.32525       7.785885      74.42517 16.99191 80.90829 4.811549 -6.483124      17.66001 
1 1 1 13 13 32 o 55.97937 8.640394 33.82149       10.12378      26.66612       19.18487      40.97685       6.474541      48.41209 16.51283 63.54666 5.094321 -15.13457      17.28079 
1 1 1 13 13 33 o 91.61461 3.013340 85.01421       5.557096      88.34394       9.344479      81.68449       6.022548      93.19360 5.013477 90.03562 3.344537 3.157982       6.026680 
1 1 1 13 13 34 o 108.1637 2.748970 118.5240       5.967998      121.4286       9.932493      115.5485       6.623316      109.2593 4.545377 107.0681 3.093040 2.191231       5.497940 
1 1 1 13 13 35 o 57.16140 8.034507 36.77573       9.316141      19.11403       17.81756      54.43744       5.456496      41.02782 15.63195 73.29498 3.722285 -32.26717      16.06901 
1 1 1 13 13 36 o 114.8783 3.753192 136.2353       8.572267      137.2980       16.02518      135.1726       6.086309      113.9552 7.031350 115.8013 2.627910 -1.846092      7.506384 
1 1 1 13 13 37 o 98.55728 3.846938 102.2296       7.877984      116.3278       14.80664      88.20225       5.386359      103.8045 7.131983 93.31002 2.886270 10.49451       7.693876 
1 1 1 13 13 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 13 40 o 62.04654 7.169324 48.85484       7.630026      41.06895       14.51618      56.63363       4.691368      49.91832 13.98557 74.17477 3.162374 -24.25645      14.33865 
1 1 1 13 13 41 o 57.88041 7.161430 45.64555       7.700871      48.33767       14.56577      42.96052       5.008046      52.06901 13.77272 63.69181 3.931468 -11.62280      14.32286 
1 1 1 13 13 42 o 42.51192 6.852017 28.07594       6.399445      34.19697       12.43333      21.94784       3.035007      39.44817 13.29338 45.57567 3.329636 -6.127502      13.70403 
1 1 1 13 14 0  o 103.5728 3.921376 107.7555       8.097604      107.7555       8.097604      107.7555       8.097604      103.5728 3.921376 103.5728 3.921376 0.000000       0.000000 
1 1 1 13 14 1  o 280.3538 2.653757 786.3815       14.88457      804.8012       21.46609      767.9618       20.62303      283.6368 3.784081 277.0708 3.721618 6.566010       5.307514 
1 1 1 13 14 2  o 202.0345 2.419686 408.4933       9.776634      392.6240       13.63061      424.2917       14.02026      198.1168 3.440045 205.9523 3.403764 -7.835480      4.839372 
1 1 1 13 14 3  o 662.4020 5.002680 4393.818       66.28275      4410.821       94.08241      4376.106       93.37395      663.7089 7.087625 661.0950 7.062067 2.613831       10.00536 
1 1 1 13 14 4  o 315.5668 2.850819 996.0833       18.00176      1024.421       26.08519      968.4536       24.80998      319.9974 4.075845 311.1362 3.986998 8.861206       5.701637 
1 1 1 13 14 5  o 312.4884 2.849847 976.9550       17.81048      991.1240       25.50426      962.7860       24.87374      314.7538 4.051462 310.2229 4.009011 4.530945       5.699695 
1 1 1 13 14 6  o 300.2688 2.822154 901.8591       16.95325      929.4888       24.54077      874.9379       23.40016      304.8075 4.025618 295.7300 3.956338 9.077454       5.644308 
1 1 1 13 14 7  o 674.4323 5.097287 4555.345       68.74816      4564.555       97.41212      4546.844       97.05790      675.0869 7.214784 673.7777 7.202516 1.309204       10.19457 
1 1 1 13 14 8  f 521.0811 4.067976 2719.038       42.40792      2784.924       61.32359      2652.444       58.59605      527.4240 5.813501 514.7383 5.691829 12.68567       8.135952 
1 1 1 13 14 9  o 412.7260 3.376655 1705.244       27.87049      1690.366       39.10654      1719.412       39.72997      410.9693 4.757842 414.4827 4.792718 -3.513397      6.753311 
1 1 1 13 14 10 o 146.6369 2.382943 215.1568       6.990294      214.4483       9.762465      215.7944       10.00334      146.4082 3.333989 146.8656 3.405611 -0.4573669     4.765886 
1 1 1 13 14 11 o 362.3931 5.004961 1317.720       36.81115      1239.082       35.40842      1395.650       64.54704      351.8115 5.032300 372.9747 8.653007 -21.16318      10.00992 
1 1 1 13 14 12 o 116.8253 2.442904 136.5895       5.710121      132.4096       7.892153      140.7694       8.253463      115.0378 3.430242 118.6128 3.479162 -3.574974      4.885809 
1 1 1 13 14 13 o 143.6989 2.250950 206.6554       6.467456      197.7289       9.046929      215.6527       9.245295      140.5814 3.217684 146.8165 3.148590 -6.235077      4.501901 
1 1 1 13 14 14 o 239.9863 2.928502 576.4672       14.07694      581.0721       24.22197      571.8623       14.36740      240.8933 5.027531 239.0793 3.004736 1.813980       5.857005 
1 1 1 13 14 15 o 252.8698 2.881462 640.1570       14.57285      638.7401       20.60886      641.5739       20.60886      252.5896 4.079515 253.1500 4.070485 -0.5603333     5.762924 
1 1 1 13 14 16 o 308.2310 2.827398 951.4508       17.44208      956.4099       27.77839      946.4916       21.09769      308.9753 4.495245 307.4867 3.430668 1.488617       5.654795 
1 1 1 13 14 17 o 61.70456 3.618810 38.85858       4.227332      28.61437       6.588602      49.09571       5.297802      53.39087 6.170158 70.01825 3.783158 -16.62738      7.237619 
1 1 1 13 14 18 o 180.1437 2.311032 324.8960       8.324308      324.8251       13.31181      324.9668       10.00334      180.0949 3.695777 180.1926 2.775735 -0.9774780E-01 4.622064 
1 1 1 13 14 19 o 138.1318 2.533154 191.4945       7.034926      209.5600       10.77555      173.4998       9.039845      144.6392 3.724976 131.6245 3.433953 13.01476       5.066308 
1 1 1 13 14 20 o 198.1716 2.764149 393.6158       11.00934      404.8093       18.28514      382.4223       12.27038      200.9173 4.550414 195.4259 3.139396 5.491470       5.528297 
1 1 1 13 14 21 o 106.8526 2.671964 114.4150       5.717206      117.1779       8.487252      111.7228       7.658363      108.1165 3.925051 105.5887 3.626506 2.527740       5.343929 
1 1 1 13 14 22 o 120.9711 3.073514 147.0746       7.545012      156.0719       13.14178      138.0064       7.410406      124.5828 5.274314 117.3593 3.157146 7.223572       6.147028 
1 1 1 13 14 23 o 82.87430 2.835451 69.25824       4.748752      78.70899       7.502505      59.81459       5.820640      88.53506 4.237025 77.21353 3.769184 11.32153       5.670902 
1 1 1 13 14 24 f 180.4104 2.755650 326.8088       9.904156      313.2774       14.97667      340.3402       12.97175      176.6134 4.239960 184.2075 3.520962 -7.594147      5.511301 
1 1 1 13 14 25 o 59.06138 3.560793 35.16046       4.184825      33.48143       6.406529      36.83949       5.384942      57.60257 5.560975 60.52018 4.448881 -2.917610      7.121586 
1 1 1 13 14 26 o 244.7888 2.661090 601.8298       12.99301      584.5435       19.72330      619.1160       16.92491      241.1810 4.088901 248.3967 3.406831 -7.215759      5.322181 
1 1 1 13 14 27 o 151.5514 2.629483 231.0970       8.055097      245.6911       13.38974      216.4320       8.954830      156.2312 4.285231 146.8715 3.048526 9.359756       5.258965 
1 1 1 13 14 28 o 21.88536 5.911135 2.813262       3.811471      0.5948161      6.111105      5.032133       4.556762      20.53196 8.667810 23.23877 8.039598 -2.706804      11.82227 
1 1 1 13 14 29 o 235.2614 3.144058 558.1891       14.72871      527.9383       22.01868      588.4401       19.56744      228.7252 4.813348 241.7975 4.046245 -13.07228      6.288117 
1 1 1 13 14 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 14 31 o 58.82151 8.633684 37.66838       10.19462      32.55336       19.23446      42.77632       6.764297      52.71617 16.46288 64.92686 5.209167 -12.21069      17.26737 
1 1 1 13 14 32 o 30.51750 6.946275 4.964830       6.525549      -4.658779      11.54776      14.58702       6.074266      24.34174 11.02985 36.69326 8.446619 -12.35152      13.89255 
1 1 1 13 14 33 o 116.6825 3.814414 139.5650       8.543928      120.5076       14.58702      158.6932       8.891070      107.9721 6.754997 125.3929 3.545283 -17.42085      7.628828 
1 1 1 13 14 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 14 35 o 47.76300 4.573015 24.28573       4.077848      19.53910       6.318681      29.03235       5.157529      42.30740 7.756930 53.21859 4.845608 -10.91119      9.146030 
1 1 1 13 14 36 o 34.56103 6.818574 4.957037       8.770633      -9.188620      16.83990      19.09986       4.894693      26.34461 12.37904 42.77745 5.721115 -16.43284      13.63715 
1 1 1 13 14 37 o 27.63966 7.812883 4.194743       8.983169      1.446658       17.47042      6.942828       4.181283      30.18764 13.62853 25.09168 7.643798 5.095953       15.62577 
1 1 1 13 14 38 o 49.70301 6.717055 0.000000       0.000000      ?              ?             28.99693       6.677158      ?        ?        49.70301 6.717055 ?              ?        
1 1 1 13 14 39 o 35.18010 6.571426 13.09927       6.985334      6.759338       13.33306      19.43283       4.172073      27.57272 12.20515 42.78748 4.875343 -15.21476      13.14285 
1 1 1 13 14 40 o 35.53414 6.192219 15.77014       5.159654      13.25513       9.521592      18.29222       3.976540      29.81820 11.40796 41.25008 4.820039 -11.43188      12.38444 
1 1 1 13 14 41 o 25.85068 6.338526 9.677451       4.545426      12.27747       8.430575      7.074599       3.401986      27.75853 10.70483 23.94283 6.790750 3.815702       12.67705 
1 1 1 13 15 0  o 58.07743 7.481467 35.40842       8.458915      35.40842       8.458915      35.40842       8.458915      58.07743 7.481467 58.07743 7.481467 0.000000       0.000000 
1 1 1 13 15 1  o 260.7577 2.687184 680.2554       14.01318      682.9475       19.90041      677.4925       19.73747      261.2803 3.808250 260.2351 3.792237 1.045166       5.374368 
1 1 1 13 15 2  o 190.5111 2.582847 363.0815       9.840395      362.5148       13.93525      363.6483       13.89982      190.3622 3.660192 190.6599 3.645188 -0.2976685     5.165694 
1 1 1 13 15 3  f 75.79552 4.061412 57.50503       6.157155      57.46252       8.735210      57.54754       8.678535      75.76724 5.764503 75.82381 5.722830 -0.5656433E-01 8.122825 
1 1 1 13 15 4  o 201.7059 2.576044 407.0764       10.39299      397.4415       14.50201      416.7114       14.89166      199.3186 3.637896 204.0932 3.648250 -4.774536      5.152088 
1 1 1 13 15 5  o 408.0023 3.381713 1666.279       27.59420      1659.194       38.97194      1672.655       39.07820      407.1780 4.785614 408.8267 4.779311 -1.648712      6.763425 
1 1 1 13 15 6  o 372.8348 3.167601 1391.399       23.61978      1393.525       33.47435      1388.566       33.33266      373.1667 4.485173 372.5028 4.474149 0.6639404      6.335202 
1 1 1 13 15 7  o 260.6396 2.601850 679.7595       13.56685      668.2117       18.94400      691.2364       19.41866      258.4328 3.665169 262.8465 3.693917 -4.413635      5.203700 
1 1 1 13 15 8  f 27.38639 6.743040 6.659447       4.547552      7.311223       6.322224      6.010505       6.539010      28.03661 9.479317 26.73616 9.592543 1.300449       13.48608 
1 1 1 13 15 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 15 10 o 398.5661 3.277637 1589.766       26.12770      1592.600       36.99535      1587.641       36.90326      398.8767 4.637443 398.2555 4.633113 0.6211548      6.555274 
1 1 1 13 15 11 o 122.3085 2.597953 149.6959       6.347728      151.7504       8.458915      147.6413       9.472000      123.1528 3.434317 121.4642 3.899090 1.688530       5.195906 
1 1 1 13 15 12 o 236.6395 2.620410 560.3854       12.42624      572.0040       19.05735      548.8376       15.94017      239.0727 3.985681 234.2062 3.403020 4.866547       5.240820 
1 1 1 13 15 13 o 82.59627 2.838940 68.28767       4.689242      69.34325       6.672907      67.23208       6.591435      83.23482 4.008484 81.95772 4.021242 1.277100       5.677880 
1 1 1 13 15 14 o 178.1478 2.264380 317.6698       8.069265      306.5471       11.21479      328.8633       11.60444      175.0184 3.203889 181.2772 3.200745 -6.258789      4.528761 
1 1 1 13 15 15 o 249.0417 2.556786 621.1705       12.68129      600.9088       19.87207      641.3614       15.76305      244.9466 4.056409 253.1368 3.113545 -8.190170      5.113572 
1 1 1 13 15 16 o 111.2470 2.568356 124.1208       5.776716      133.9682       9.408240      114.2733       6.703371      115.6483 4.067607 106.8457 3.136939 8.802589       5.136712 
1 1 1 13 15 17 o 289.4194 2.882029 839.5154       16.68404      839.5154       25.32006      838.8069       21.72822      289.4406 4.373966 289.3982 3.754035 0.4241943E-01  5.764057 
1 1 1 13 15 18 o 195.6091 2.381442 383.1307       9.309056      379.7302       14.89166      386.6022       11.15812      194.6929 3.824396 196.5254 2.838849 -1.832428      4.762884 
1 1 1 13 15 19 o 153.7009 2.340162 236.6229       7.197870      236.5520       11.56902      236.6229       8.551013      153.6562 3.764579 153.7456 2.780896 -0.8941650E-01 4.680325 
1 1 1 13 15 20 o 291.9650 3.174159 855.1013       18.54018      856.5182       31.50485      853.6844       19.53910      292.0048 5.394578 291.9253 3.346593 0.7955933E-01  6.348319 
1 1 1 13 15 21 o 210.4439 2.513715 443.9868       10.57718      443.2074       16.20938      444.6952       13.59519      210.2223 3.855294 210.6655 3.226725 -0.4432068     5.027430 
1 1 1 13 15 22 o 38.69722 5.359037 15.84807       4.007003      9.996255       5.864564      21.69988       5.462872      30.99311 8.956879 46.40133 5.886546 -15.40822      10.71807 
1 1 1 13 15 23 f 222.1338 3.015415 495.5620       13.36848      486.5647       20.64428      504.6302       16.99576      220.0090 4.691690 224.2585 3.789323 -4.249481      6.030831 
1 1 1 13 15 24 o 112.7132 3.654981 0.000000       0.000000      ?              ?             127.5213       8.239295      ?        ?        112.7132 3.654981 ?              ?        
1 1 1 13 15 25 o 96.84509 2.974066 94.36578       5.824182      101.0252       9.649114      87.77718       6.528384      100.1688 4.816428 93.52140 3.490315 6.647377       5.948132 
1 1 1 13 15 26 o 45.08240 4.765703 20.90641       4.366897      25.56803       7.058305      16.25188       5.144777      50.13644 7.039096 40.02835 6.426416 10.10809       9.531406 
1 1 1 13 15 27 o 22.18650 6.156845 2.761545       4.087059      1.329764       6.417865      4.193326       5.062596      21.64835 8.995884 22.72465 8.408391 -1.076298      12.31369 
1 1 1 13 15 28 o 109.9392 2.603353 121.7120       5.788759      132.3388       9.415324      111.1561       6.738085      114.6595 4.105775 105.2189 3.201937 9.440636       5.206707 
1 1 1 13 15 29 o 59.52688 4.139070 36.24440       4.995294      42.05370       8.005506      30.43509       5.975082      64.26660 6.228356 54.78715 5.452996 9.479450       8.278139 
1 1 1 13 15 30 o 95.94875 2.976818 93.16142       5.763964      101.3794       9.202788      84.94337       6.946370      100.0988 4.596854 91.79871 3.783479 8.300056       5.953636 
1 1 1 13 15 31 o 173.4821 2.597775 303.3590       9.004422      299.8168       13.48184      306.8304       11.94450      172.3897 3.910279 174.5745 3.421032 -2.184738      5.195550 
1 1 1 13 15 32 o 56.00703 8.341722 34.43784       9.514507      23.72605       17.70421      45.15672       6.993127      45.44797 15.83495 66.56610 5.252769 -21.11813      16.68344 
1 1 1 13 15 33 o 73.38174 7.984023 61.07563       9.762465      40.71472       18.02301      81.40111       7.516674      57.20656 15.40672 89.55691 4.196590 -32.35035      15.96805 
1 1 1 13 15 34 o 31.03605 8.744705 10.54176       8.749379      18.11511       16.45025      2.973372       5.948161      40.10435 15.09332 21.96776 8.835791 18.13659       17.48941 
1 1 1 13 15 35 f 40.42470 5.767748 18.09386       4.591476      22.30915       6.739501      13.87857       6.238626      45.81884 7.354510 35.03055 8.887005 10.78829       11.53550 
1 1 1 13 15 36 o 22.75148 5.769904 3.629399       3.864604      -2.066554      5.597477      9.323226       5.330391      16.93643 7.676510 28.56653 8.616169 -11.63010      11.53981 
1 1 1 13 15 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 15 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 15 39 o 28.13988 6.438397 9.153197       5.218455      8.246379       9.734127      10.05293       3.755503      26.75533 11.09604 29.52443 6.533734 -2.769098      12.87679 
1 1 1 13 15 40 o 50.27663 4.951791 30.71138       5.287884      39.49619       9.719957      21.91950       4.164279      55.47663 8.760407 45.07663 4.619112 10.40001       9.903582 
1 1 1 13 15 41 o 16.03186 5.377508 0.1667696E-02  4.476707      2.410153       8.246379      -2.407319      3.486291      20.07896 9.162604 11.98477 5.631788 8.094193       10.75502 
1 1 1 13 16 0  o 122.1296 4.324764 149.7667       10.53468      149.7667       10.53468      149.7667       10.53468      122.1296 4.324764 122.1296 4.324764 -0.000000      0.000000 
1 1 1 13 16 1  o 141.9349 2.777857 201.7671       7.920490      214.4483       12.10036      189.0858       10.20879      146.3955 4.132763 137.4743 3.712981 8.921173       5.555714 
1 1 1 13 16 2  o 277.8671 2.713206 772.2125       15.08294      760.1688       21.04810      784.9646       21.60069      275.6382 3.818068 280.0961 3.855943 -4.457947      5.426411 
1 1 1 13 16 3  o 284.2973 2.723715 809.0520       15.48676      807.6351       21.86991      809.7604       21.93367      284.1107 3.848836 284.4840 3.854991 -0.3733215     5.447430 
1 1 1 13 16 4  o 137.7828 2.535058 189.9359       6.986042      188.9441       9.812057      190.9278       9.946663      137.4233 3.570012 138.1422 3.600153 -0.7189331     5.070117 
1 1 1 13 16 5  o 60.41374 4.239638 36.72614       5.090226      31.60404       7.148279      41.85533       7.247461      56.17221 6.362824 64.65527 5.604695 -8.483059      8.479277 
1 1 1 13 16 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 16 7  o 206.9518 2.442453 428.5425       10.10961      421.8830       14.21863      435.2019       14.37449      205.3435 3.462157 208.5602 3.446125 -3.216690      4.884907 
1 1 1 13 16 8  o 269.4786 2.791413 727.5800       15.10419      763.0026       23.34349      691.3073       19.17071      276.1109 4.227193 262.8464 3.646751 13.26456       5.582827 
1 1 1 13 16 9  o 378.3493 3.169093 1432.490       23.98109      1426.114       33.80024      1439.574       34.02694      377.4611 4.477314 379.2375 4.486231 -1.776459      6.338187 
1 1 1 13 16 10 o 149.1763 2.344965 222.6664       6.995253      219.3367       9.882903      225.9961       9.904156      148.0603 3.337459 150.2922 3.294967 -2.231903      4.689929 
1 1 1 13 16 11 o 63.24531 3.677498 40.09129       4.663030      42.42918       7.002337      37.75340       6.159988      65.08777 5.379150 61.40284 5.016045 3.684925       7.354996 
1 1 1 13 16 12 o 51.34773 4.230092 26.54569       4.320848      30.10212       6.177700      22.98926       6.043094      54.80953 5.635607 47.88594 6.309884 6.923592       8.460184 
1 1 1 13 16 13 o 208.3207 2.566048 434.4935       10.68345      431.2346       16.19521      437.6815       13.94233      207.5300 3.901896 209.1114 3.333709 -1.581360      5.132096 
1 1 1 13 16 14 o 183.5507 2.526237 337.3647       9.259464      344.9452       12.23496      329.7843       13.89982      185.6299 3.295525 181.4715 3.829753 4.158417       5.052474 
1 1 1 13 16 15 o 126.8229 2.387776 161.0311       6.055138      162.3063       8.600604      159.7559       8.529759      127.3251 3.377420 126.3208 3.376229 1.004280       4.775551 
1 1 1 13 16 16 o 366.9264 3.102556 1349.601       22.76964      1353.851       32.31957      1344.641       32.07870      367.5509 4.396611 366.3018 4.378725 1.249146       6.205113 
1 1 1 13 16 17 o 153.5960 2.482094 236.3395       7.594603      226.6337       11.57610      246.1162       9.833311      150.4063 3.848279 156.7858 3.135906 -6.379547      4.964187 
1 1 1 13 16 18 o 114.3759 2.600231 131.1344       5.977916      137.4397       9.408240      124.8292       7.374983      117.1071 4.016939 111.6448 3.302880 5.462326       5.200463 
1 1 1 13 16 19 o 104.6988 3.358250 0.000000       0.000000      ?              ?             109.8100       7.032093      ?        ?        104.6988 3.358250 ?              ?        
1 1 1 13 16 20 o 195.8265 2.815220 384.6184       11.03768      387.7357       18.29931      381.5721       12.35540      196.5018 4.656271 195.1512 3.165596 1.350571       5.630440 
1 1 1 13 16 21 o 237.0056 2.977267 564.2110       13.99901      537.5732       22.52877      590.9196       16.62736      231.2418 4.871258 242.7694 3.424518 -11.52757      5.954534 
1 1 1 13 16 22 o 69.66158 3.750053 49.08154       5.037800      42.16705       8.458915      55.99603       5.469956      64.61059 6.546075 74.71256 3.660667 -10.10197      7.500105 
1 1 1 13 16 23 o 160.9461 2.797463 260.1435       9.011506      261.8438       14.85623      258.4432       10.20879      161.3512 4.603694 160.5410 3.179496 0.8102112      5.594925 
1 1 1 13 16 24 o 258.7420 2.971271 673.1708       15.27422      652.3424       25.33423      693.9285       17.07369      254.4715 4.977814 263.0124 3.245795 -8.540894      5.942543 
1 1 1 13 16 25 o 59.89834 3.855654 36.57737       4.474581      29.28031       6.816014      43.87442       5.799386      53.76397 6.338831 66.03271 4.391298 -12.26873      7.711308 
1 1 1 13 16 26 o 47.64194 4.684101 23.69771       4.161446      17.79631       6.238626      29.60620       5.508921      41.10963 7.868393 54.17424 5.084446 -13.06461      9.368202 
1 1 1 13 16 27 o 19.50517 5.853728 0.1130689      4.045968      2.754460       6.284676      -2.528464      5.098019      22.69512 9.101382 16.31523 7.364058 6.379887       11.70746 
1 1 1 13 16 28 o 103.0323 3.357126 107.2596       6.901029      100.6002       9.939578      113.9190       9.571183      99.78226 4.980634 106.2823 4.502719 -6.500008      6.714253 
1 1 1 13 16 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 16 30 o 114.3372 2.824157 131.8429       6.462497      132.6930       10.43549      131.0636       7.622942      114.5408 4.555362 114.1336 3.339482 0.4072037      5.648315 
1 1 1 13 16 31 o 73.96528 3.421262 55.54970       5.042051      54.18948       7.970083      56.90993       6.176282      72.90575 5.466018 75.02480 4.116161 -2.119049      6.842524 
1 1 1 13 16 32 o 61.74415 4.037590 39.07820       4.996710      40.24714       7.743378      37.90925       6.320098      62.53686 6.191051 60.95144 5.184536 1.585423       8.075179 
1 1 1 13 16 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 16 34 o 99.30763 4.319805 102.8672       8.671450      109.5266       14.78539      96.13691       9.054014      101.7279 7.267126 96.88737 4.672443 4.840530       8.639609 
1 1 1 13 16 35 o 113.0317 3.991023 133.9682       9.209873      149.6250       15.82681      118.2406       9.429493      118.7424 6.664348 107.3211 4.393123 11.42133       7.982046 
1 1 1 13 16 36 o 55.48251 4.793001 33.14846       5.119981      40.34633       6.735251      25.95059       7.715039      62.20193 5.414021 48.76308 7.910740 13.43886       9.586001 
1 1 1 13 16 37 o 18.25875 5.930697 -0.7566265     4.963413      0.5078182      6.784843      -2.021213      7.247461      18.72940 8.472337 17.78809 8.301335 0.9413147      11.86139 
1 1 1 13 16 38 o 32.65213 6.617557 12.95758       5.367230      11.01642       9.677451      14.89874       4.651694      29.15501 11.42234 36.14925 6.685687 -6.994242      13.23511 
1 1 1 13 16 39 o 44.96418 6.006923 25.19963       5.360855      28.53644       10.05293      21.86991       3.725748      44.36616 11.29670 45.56220 4.088639 -1.196041      12.01385 
1 1 1 13 16 40 o 23.22116 6.434841 5.785926       5.036384      3.174572       8.678535      8.395153       5.112188      21.42282 9.642065 25.01951 8.524040 -3.596682      12.86968 
1 1 1 13 17 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 17 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 17 2  f 534.1190 5.981353 2862.145       63.88110      2793.425       89.12323      2930.865       91.60282      527.7089 8.444357 540.5291 8.473439 -12.82025      11.96271 
1 1 1 13 17 3  o 327.3795 2.929539 1072.596       19.17779      1068.345       27.07702      1076.847       27.17621      326.7307 4.143630 328.0282 4.142359 -1.297485      5.859079 
1 1 1 13 17 4  o 323.3477 3.120462 1047.092       20.23338      1080.389       31.22855      1013.086       25.73805      328.5237 4.752861 318.1716 4.044681 10.35211       6.240924 
1 1 1 13 17 5  f 87.08742 3.000442 76.15857       5.211371      67.56504       7.247461      84.73083       7.488335      82.16085 4.410532 92.01398 4.069129 -9.853127      6.000884 
1 1 1 13 17 6  o 58.84979 3.958134 34.77081       4.645319      31.22855       6.505004      38.32016       6.632525      55.83804 5.824886 61.86154 5.360783 -6.023499      7.916268 
1 1 1 13 17 7  o 96.27428 2.803294 92.80718       5.399111      95.14508       7.736294      90.39845       7.530843      97.50590 3.967090 95.04267 3.961822 2.463226       5.606589 
1 1 1 13 17 8  o 169.3846 2.328346 287.0647       7.892153      287.4189       11.08019      286.7104       11.22896      169.4898 3.268688 169.2795 3.316693 0.2103271      4.656692 
1 1 1 13 17 9  o 254.8937 2.548018 650.2170       12.99301      642.5658       18.20012      657.7975       18.54018      253.4014 3.591165 256.3860 3.615677 -2.984604      5.096036 
1 1 1 13 17 10 o 158.7148 2.489809 252.2088       7.927575      241.7237       10.21588      262.6939       12.12161      155.4222 3.286492 162.0075 3.741066 -6.585266      4.979618 
1 1 1 13 17 11 o 101.3128 2.676267 102.7963       5.421073      101.6628       7.630026      103.8590       7.707955      100.7715 3.785807 101.8542 3.783819 -1.082718      5.352534 
1 1 1 13 17 12 o 117.5008 2.498591 138.3606       5.870231      148.1373       8.487252      128.6548       8.111773      121.6429 3.488594 113.3587 3.577923 8.284187       4.997181 
1 1 1 13 17 13 o 78.76173 3.049621 62.15247       4.804011      62.40044       6.808222      61.89743       6.779175      78.92108 4.313310 78.60239 4.312322 0.3186951      6.099243 
1 1 1 13 17 14 o 227.7166 3.011060 519.5786       13.75105      511.2188       15.65678      527.9383       22.60670      225.9582 3.464532 229.4750 4.925744 -3.516800      6.022120 
1 1 1 13 17 15 o 260.3108 2.952114 678.9802       15.36632      677.5632       21.79198      680.3971       21.67862      260.0373 4.190164 260.5843 4.159618 -0.5470581     5.904227 
1 1 1 13 17 16 o 161.3835 2.671153 260.9228       8.621859      258.0890       12.17120      263.7566       12.21371      160.5060 3.791509 162.2610 3.763601 -1.754929      5.342306 
1 1 1 13 17 17 o 40.15907 5.887172 16.87532       4.574473      16.25188       6.529800      17.50584       6.407947      39.35882 8.535231 40.95932 8.110795 -1.600498      11.77434 
1 1 1 13 17 18 o 173.9417 2.352574 303.1465       8.203872      308.2473       13.04260      297.9748       9.946663      175.3775 3.718435 172.5058 2.882994 2.871704       4.705148 
1 1 1 13 17 19 o 70.97444 3.832336 50.69681       5.485542      53.16222       9.131943      48.22431       6.079224      72.63439 6.286239 69.31448 4.385249 3.319908       7.664673 
1 1 1 13 17 20 o 101.6194 2.723131 103.6465       5.540093      104.4966       8.954830      102.7255       6.527675      102.0032 4.389484 101.2355 3.224003 0.7676849      5.446262 
1 1 1 13 17 21 o 111.5455 2.658043 124.9001       5.900695      121.0744       9.528677      128.6548       6.958413      109.7906 4.339478 113.3003 3.070782 -3.509781      5.316087 
1 1 1 13 17 22 o 208.4745 2.597852 436.2646       10.86057      447.7415       16.92491      424.7877       13.60936      211.1459 4.007871 205.8031 3.306403 5.342819       5.195703 
1 1 1 13 17 23 o 179.7363 2.530270 324.4001       9.068183      312.1438       13.68020      336.6563       11.90199      176.2794 3.880261 183.1931 3.248482 -6.913635      5.060540 
1 1 1 13 17 24 o 111.9951 2.861735 126.0336       6.422824      127.5213       10.64095      124.6167       7.190785      112.5375 4.727735 111.4528 3.225933 1.084641       5.723471 
1 1 1 13 17 25 o 79.50685 3.160012 63.83151       5.091643      70.46970       8.317224      57.19331       5.879441      83.58671 4.975207 75.42700 3.897439 8.159706       6.320025 
1 1 1 13 17 26 o 58.80193 3.997332 35.17463       4.780632      39.99919       7.842561      30.35007       5.471373      62.77510 6.246554 54.82874 4.989511 7.946362       7.994665 
1 1 1 13 17 27 o 46.16451 5.476088 22.15329       4.934367      22.43667       7.828392      21.86991       6.005546      45.94984 8.833589 46.37917 6.474400 -0.4293289     10.95218 
1 1 1 13 17 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 17 29 o 209.6168 3.094276 443.9868       12.98592      449.9377       20.16962      438.0357       16.36524      210.8112 4.783813 208.4224 3.925978 2.388763       6.188551 
1 1 1 13 17 30 o 131.4397 2.788645 174.4917       7.332476      179.3800       10.61261      169.5325       10.12378      133.2830 3.981232 129.5964 3.905886 3.686539       5.577289 
1 1 1 13 17 31 o 60.75724 4.001959 38.10054       4.863521      45.30549       7.367898      30.90266       6.354104      66.58076 5.533054 54.93372 5.783428 11.64704       8.003919 
1 1 1 13 17 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 17 33 o 55.63628 4.119070 32.59587       4.332182      23.20888       6.546094      41.97577       5.676116      47.08789 6.950932 64.18466 4.421708 -17.09677      8.238140 
1 1 1 13 17 34 o 50.79295 4.162453 26.85032       4.219539      26.38983       6.426365      27.31082       5.469248      50.17482 6.403975 51.41109 5.319133 -1.236263      8.324906 
1 1 1 13 17 35 o 114.2468 3.858054 137.2271       9.054014      155.2218       15.91183      119.3033       8.636027      120.5956 6.597182 107.8980 4.001940 12.69762       7.716108 
1 1 1 13 17 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 17 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 17 38 o 50.18420 3.981322 27.54460       3.919155      23.64812       5.850394      31.44109       5.216331      46.05288 6.351823 54.31553 4.801878 -8.262650      7.962644 
1 1 1 13 17 39 o 38.50218 6.455786 19.92875       5.309846      21.73530       9.663282      18.12220       4.407279      36.60472 11.70282 40.39965 5.454600 -3.794930      12.91157 
1 1 1 13 17 40 o 18.30512 5.438410 0.1347475      4.619813      -4.126731      8.593520      4.395943       3.394193      17.47128 8.402561 19.13896 6.906676 -1.667679      10.87682 
1 1 1 13 18 0  o 87.50191 4.292871 77.15040       7.474166      77.15040       7.474166      77.15040       7.474166      87.50191 4.292871 87.50191 4.292871 0.000000       0.000000 
1 1 1 13 18 1  o 159.8590 2.396586 255.7511       7.665448      261.0645       10.91724      250.3669       10.75430      161.5313 3.379297 158.1866 3.399244 3.344666       4.793172 
1 1 1 13 18 2  o 192.9328 2.386126 372.5039       9.209873      365.0652       12.85132      379.8719       13.19137      191.0155 3.363945 194.8501 3.385006 -3.834518      4.772253 
1 1 1 13 18 3  o 53.23414 4.384029 28.42308       4.654528      26.40400       6.669365      30.44926       6.493669      51.33310 6.496165 55.13519 5.888861 -3.802090      8.768058 
1 1 1 13 18 4  o 211.6946 2.427118 448.5917       10.27963      430.1719       14.16904      467.0114       14.89874      207.3471 3.416743 216.0421 3.448110 -8.695023      4.854235 
1 1 1 13 18 5  o 281.7991 2.677353 794.8829       15.09711      769.3787       20.79306      820.3871       21.89116      277.2791 3.749483 286.3191 3.822860 -9.040070      5.354707 
1 1 1 13 18 6  o 169.1131 2.371563 286.4979       8.033843      265.9528       10.87473      307.1139       11.81698      163.0324 3.335145 175.1937 3.372545 -12.16129      4.743126 
1 1 1 13 18 7  o 154.9661 2.365568 240.3068       7.332476      242.4322       10.36465      238.1815       10.37173      155.6519 3.329433 154.2803 3.361328 1.371567       4.731136 
1 1 1 13 18 8  o 272.6546 2.854065 743.8744       15.56469      742.4575       23.45684      745.9998       20.45300      272.3092 4.307023 272.9999 3.745973 -0.6906738     5.708131 
1 1 1 13 18 9  f 242.5581 2.506739 589.0068       12.16412      596.6581       17.30748      581.2847       17.08786      244.1410 3.544566 240.9752 3.545564 3.165833       5.013479 
1 1 1 13 18 10 o 227.9416 2.646052 520.2870       12.06493      518.3742       15.92599      522.1290       18.12928      227.5489 3.499466 228.3343 3.969898 -0.7854156     5.292103 
1 1 1 13 18 11 o 37.61209 7.056985 14.45242       5.610938      10.38590       8.728126      18.52601       7.052638      33.10438 11.13787 42.11980 8.669018 -9.015419      14.11397 
1 1 1 13 18 12 o 81.80762 3.535743 67.77758       5.707288      54.40201       8.005506      81.11773       8.140111      73.64514 5.435189 89.97009 4.523787 -16.32494      7.071487 
1 1 1 13 18 13 o 95.07745 3.173546 90.61098       6.032466      88.55647       8.501422      92.66550       8.565183      93.99781 4.522138 96.15710 4.453744 -2.159286      6.347092 
1 1 1 13 18 14 f 190.7686 2.730496 364.6401       10.41424      358.8308       14.69329      370.3786       14.77122      189.2562 3.881852 192.2810 3.841050 -3.024841      5.460992 
1 1 1 13 18 15 o 126.9433 2.636049 161.4562       6.683534      157.9848       9.967916      164.9276       8.905238      125.5631 3.969285 128.3235 3.469840 -2.760361      5.272097 
1 1 1 13 18 16 o 82.71155 2.982647 68.59938       4.933658      66.64406       6.926533      70.55471       7.027133      81.53104 4.247789 83.89204 4.188200 -2.361000      5.965294 
1 1 1 13 18 17 f 102.9528 2.636898 106.2678       5.427449      109.8100       7.700871      102.7255       7.651280      104.6723 3.678561 101.2332 3.779036 3.439125       5.273796 
1 1 1 13 18 18 o 98.58442 2.685733 97.48296       5.296385      99.75002       7.537927      95.21592       7.438744      99.73233 3.779079 97.43651 3.817226 2.295822       5.371467 
1 1 1 13 18 19 o 19.09196 5.706399 -0.6911655     3.943951      -4.487334      5.438076      3.105144       5.714372      15.76764 7.293411 22.41628 8.778275 -6.648642      11.41280 
1 1 1 13 18 20 o 202.5887 2.522264 411.8230       10.27255      426.2755       16.72655      397.2997       11.93033      206.0643 4.058575 199.1131 2.995868 6.951233       5.044527 
1 1 1 13 18 21 o 72.11624 3.698730 52.39709       5.347394      53.17639       9.046929      51.61071       5.706579      72.54426 6.235455 71.68822 3.980137 0.8560410      7.397459 
1 1 1 13 18 22 o 61.26313 4.200877 37.93050       5.119981      36.80407       8.288886      39.06403       6.007671      60.24136 6.879731 62.28490 4.822735 -2.043549      8.401754 
1 1 1 13 18 23 o 225.4224 2.867502 511.1480       12.76630      478.5592       20.90641      543.8076       14.65078      217.9984 4.795084 232.8463 3.146019 -14.84796      5.735004 
1 1 1 13 18 24 o 74.81760 3.524523 57.00912       5.428158      67.97595       9.181536      46.04937       5.793718      81.99445 5.598876 67.64075 4.282713 14.35371       7.049046 
1 1 1 13 18 25 o 118.2478 3.040694 140.7694       7.162447      137.5813       11.42024      144.0283       8.657280      116.7754 4.889835 119.7202 3.615632 -2.944801      6.081388 
1 1 1 13 18 26 o 70.41620 3.907258 50.24340       5.459329      46.48861       8.281801      53.99820       7.112856      67.68739 6.117684 73.14501 4.862161 -5.457619      7.814516 
1 1 1 13 18 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 18 28 o 117.1077 2.985820 138.5732       6.964081      131.3470       10.39299      145.7994       9.273635      113.9578 4.560014 120.2575 3.855742 -6.299614      5.971639 
1 1 1 13 18 29 o 25.82980 6.503183 5.834808       4.363355      3.664821       6.631817      8.005506       5.671865      23.80172 9.416566 27.85788 8.971837 -4.056156      13.00637 
1 1 1 13 18 30 o 127.9525 2.678330 165.3526       6.861355      167.4072       10.52759      163.2981       8.798972      128.6424 4.091807 127.2627 3.457012 1.379684       5.356661 
1 1 1 13 18 31 o 72.52100 3.574778 53.71482       5.166030      51.93660       7.906322      55.50011       6.650237      71.16183 5.555171 73.88017 4.500691 -2.718346      7.149555 
1 1 1 13 18 32 o 128.7655 2.665669 168.1156       6.866314      168.8949       10.78972      167.3363       8.494337      128.8576 4.186684 128.6735 3.300733 0.1841125      5.331337 
1 1 1 13 18 33 o 70.62538 3.348830 51.19981       4.745918      53.39601       7.332476      49.00361       6.026091      72.00170 5.091877 69.24905 4.351028 2.752647       6.697660 
1 1 1 13 18 34 o 60.31313 3.699031 37.89508       4.467497      38.95068       6.716123      36.83949       5.894319      61.02541 5.502727 59.60086 4.944827 1.424549       7.398062 
1 1 1 13 18 35 o 23.00235 6.213600 4.507170       4.181991      8.154280       6.091977      0.8579351      5.731375      26.85826 9.295382 19.14643 8.248101 7.711824       12.42720 
1 1 1 13 18 36 o 28.67871 6.508584 6.030342       6.117482      -2.339308      10.99517      14.40283       5.370772      22.40667 10.36678 34.95074 7.872525 -12.54406      13.01717 
1 1 1 13 18 37 o 33.29226 7.024866 13.82898       5.679658      10.66928       9.634944      16.98159       6.014756      28.99954 11.38888 37.58498 8.227291 -8.585434      14.04973 
1 1 1 13 18 38 o 47.61010 4.331939 25.55386       4.107604      29.13154       5.970123      21.97617       5.642110      51.20390 5.829755 44.01630 6.409115 7.187599       8.663878 
1 1 1 13 18 39 o 21.38984 5.667518 5.594644       3.282965      5.874482       4.940743      5.314805       4.324390      21.80066 8.253386 20.97902 7.769470 0.8216381      11.33504 
1 1 1 13 19 0  o 85.94127 4.326367 74.45828       7.396237      74.45828       7.396237      74.45828       7.396237      85.94127 4.326367 85.94127 4.326367 0.000000       0.000000 
1 1 1 13 19 1  o 171.2228 2.404863 293.5116       8.239295      280.5469       11.37065      306.4762       11.92324      167.4397 3.395448 175.0060 3.406524 -7.566376      4.809726 
1 1 1 13 19 2  o 132.6823 2.508322 176.2628       6.653780      185.5435       9.507423      167.0529       9.309056      136.1652 3.491135 129.1993 3.602595 6.965912       5.016644 
1 1 1 13 19 3  o 82.79027 3.166639 68.92527       5.224123      59.72957       7.219123      78.14223       7.552096      77.23254 4.673628 88.34798 4.274063 -11.11544      6.333278 
1 1 1 13 19 4  o 24.42488 6.288740 3.576973       4.385316      -1.808677      6.074974      8.961915       6.325057      18.82041 8.296507 30.02936 9.453094 -11.20895      12.57748 
1 1 1 13 19 5  o 131.5367 2.513761 173.2165       6.612689      173.9958       9.280719      172.3663       9.422408      131.8473 3.519495 131.2261 3.590143 0.6212158      5.027522 
1 1 1 13 19 6  o 50.56338 4.740383 26.43942       4.519214      19.60995       6.517048      33.26889       6.263422      43.51777 7.767445 57.60899 5.436150 -14.09123      9.480765 
1 1 1 13 19 7  o 335.0989 3.414679 1125.730       22.89008      1144.858       32.90050      1105.893       31.83074      337.9941 4.867023 332.2037 4.790847 5.790466       6.829357 
1 1 1 13 19 8  o 60.08930 4.426777 36.24440       5.320473      35.86891       7.459997      36.61987       7.587519      59.77879 6.239669 60.39981 6.281078 -0.6210289     8.853554 
1 1 1 13 19 9  o 136.4289 2.825525 186.3937       7.707955      184.6934       10.86057      188.1648       10.94558      135.7937 3.998922 137.0642 3.992866 -1.270554      5.651049 
1 1 1 13 19 10 o 137.7000 2.833531 189.9359       7.807138      187.8106       11.11561      192.0613       10.95267      136.9265 4.058968 138.4734 3.954790 -1.546860      5.667061 
1 1 1 13 19 11 o 134.3998 2.827950 181.0803       7.601687      190.7152       10.93850      171.4453       10.55593      137.9800 3.963798 130.8196 4.034539 7.160431       5.655899 
1 1 1 13 19 12 o 256.4205 2.809320 658.8602       14.38157      638.9527       21.40941      678.8385       19.19904      252.5058 4.239390 260.3352 3.687370 -7.829391      5.618641 
1 1 1 13 19 13 o 34.56478 6.515433 12.27747       4.716872      14.48784       5.782383      10.07418       7.452912      37.19719 8.002032 31.93238 10.28450 5.264807       13.03087 
1 1 1 13 19 14 o 157.4997 2.394217 248.4540       7.545012      246.3995       10.55593      250.5085       10.77555      156.8500 3.364977 158.1494 3.406763 -1.299393      4.788435 
1 1 1 13 19 15 o 83.27968 2.955547 69.56997       4.924448      66.32525       6.776341      72.82884       7.148279      81.33324 4.165788 85.22610 4.193715 -3.892860      5.911094 
1 1 1 13 19 16 o 181.9667 2.381297 331.7680       8.664365      328.2965       12.12161      335.3102       12.39082      181.0072 3.348379 182.9262 3.386836 -1.919022      4.762594 
1 1 1 13 19 17 o 253.9881 2.592654 646.9581       13.17012      644.6202       18.62520      649.2252       18.62520      253.5349 3.673104 254.4414 3.660017 -0.9065247     5.185308 
1 1 1 13 19 18 o 175.1796 2.411352 307.6806       8.451830      303.9258       11.78155      311.5063       12.11453      174.1043 3.383475 176.2548 3.436651 -2.150497      4.822704 
1 1 1 13 19 19 o 188.3719 2.561440 355.9262       9.642029      351.2504       14.12653      360.6728       13.13470      187.1001 3.775126 189.6437 3.462992 -2.543671      5.122880 
1 1 1 13 19 20 o 18.34509 5.744448 -1.977289      4.191909      -3.337516      5.921240      -0.6173449     5.936118      17.35798 7.878686 19.33221 8.361878 -1.974232      11.48890 
1 1 1 13 19 21 o 157.4962 2.745995 249.3750       8.593520      235.9853       13.31889      262.6939       10.86057      153.1861 4.347291 161.8063 3.356040 -8.620117      5.491989 
1 1 1 13 19 22 o 50.64083 5.134871 26.14187       5.269464      28.98985       8.565183      23.29390       6.138735      53.31787 8.032187 47.96380 6.399341 5.354065       10.26974 
1 1 1 13 19 23 o 54.87881 4.813053 30.89558       5.091643      24.75331       7.906322      37.04494       6.419281      49.19347 8.035948 60.56416 5.299571 -11.37070      9.626105 
1 1 1 13 19 24 o 114.5856 3.712765 132.9055       8.678535      144.3825       15.26714      121.4286       8.274716      119.2629 6.400623 109.9082 3.764375 9.354645       7.425530 
1 1 1 13 19 25 o 145.2946 2.656838 212.3230       7.686701      205.3093       12.13578      219.3367       9.429493      142.7828 4.249735 147.8064 3.189813 -5.023590      5.313676 
1 1 1 13 19 26 o 42.56808 6.600222 19.67370       5.539385      22.39416       8.933578      16.95325       6.554596      45.37649 10.10643 39.75967 8.491862 5.616825       13.20044 
1 1 1 13 19 27 o 56.62423 5.291944 34.11904       5.443035      24.25031       8.402238      43.98777       6.922283      47.43172 9.184999 65.81675 5.258754 -18.38503      10.58389 
1 1 1 13 19 28 o 139.4738 2.671129 196.1703       7.481250      202.7589       11.90907      189.5817       9.054014      141.6832 4.202713 137.2645 3.298017 4.418640       5.342257 
1 1 1 13 19 29 o 40.74297 5.670149 17.95217       4.497961      20.58761       7.055471      15.30964       5.579766      43.71556 8.368178 37.77037 7.653493 5.945187       11.34030 
1 1 1 13 19 30 o 100.4877 2.931567 102.3004       5.900695      103.7173       9.386987      100.9544       7.148279      100.9957 4.647221 99.97963 3.574868 1.016068       5.863134 
1 1 1 13 19 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 19 32 o 38.71336 5.894333 16.85407       4.610604      23.03885       7.091603      10.67637       5.892902      46.53093 7.620310 30.89580 8.994638 15.63514       11.78867 
1 1 1 13 19 33 o 100.8281 2.951773 104.0716       5.939660      101.9462       8.976085      106.1261       7.785885      99.62650 4.504868 102.0298 3.815496 -2.403290      5.903545 
1 1 1 13 19 34 o 44.33389 5.202823 21.54402       4.386024      18.25680       6.718248      24.82415       5.640693      40.00410 8.642257 48.66367 5.795590 -8.659561      10.40565 
1 1 1 13 19 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 19 36 o 31.77310 12.88463 0.000000       0.000000      ?              ?             15.06169       12.79464      ?        ?        31.77310 12.88463 ?              ?        
1 1 1 13 19 37 o 61.00409 5.481062 43.64771       6.028216      39.48910       10.66220      47.79924       5.620148      54.63538 10.13763 67.37279 4.170933 -12.73740      10.96212 
1 1 1 13 19 38 o 58.97200 4.973576 41.63571       5.948870      47.07662       10.18754      36.18772       6.140860      60.88848 8.365735 57.05553 5.381477 3.832951       9.947151 
1 1 1 13 19 39 o 33.10473 6.324031 16.00393       4.311637      15.26714       5.546469      16.73363       6.602770      33.08930 8.370563 33.12016 9.481939 -0.3086090E-01 12.64806 
1 1 1 13 20 0  o 68.14335 5.281578 47.32458       7.112856      47.32458       7.112856      47.32458       7.112856      68.14335 5.281578 68.14335 5.281578 -0.000000      0.000000 
1 1 1 13 20 1  o 108.8955 2.907812 118.7365       6.328599      120.5785       8.380984      116.9654       9.479085      109.7352 3.818730 108.0557 4.386203 1.679520       5.815623 
1 1 1 13 20 2  o 301.4919 2.812148 910.3606       16.96033      896.1915       23.69771      924.5295       24.26447      299.1473 3.960876 303.8365 3.993015 -4.689178      5.624296 
1 1 1 13 20 3  f 258.3261 3.022081 668.9910       15.62136      631.8681       21.41650      706.1139       22.74839      251.1543 4.263614 265.4979 4.284099 -14.34366      6.044163 
1 1 1 13 20 4  o 59.07160 4.571276 35.12504       5.386359      31.63237       7.545012      38.61062       7.686701      56.12050 6.722153 62.02270 6.196685 -5.902199      9.142551 
1 1 1 13 20 5  o 53.92824 4.914201 29.24489       5.299220      30.93100       7.601687      27.55877       7.382068      55.48778 6.849875 52.36869 7.048168 3.119087       9.828402 
1 1 1 13 20 6  o 198.2034 2.806835 393.4741       11.12978      396.3788       15.98976      390.5695       15.47967      198.9311 4.018919 197.4758 3.919385 1.455322       5.613670 
1 1 1 13 20 7  o 133.8002 3.240318 179.6634       8.593520      193.1240       11.05185      166.2028       13.17012      138.8551 3.979633 128.7452 5.114799 10.10991       6.480636 
1 1 1 13 20 8  o 58.80574 3.902414 34.70705       4.587225      35.81224       6.458246      33.59478       6.516339      59.74931 5.404453 57.86217 5.630916 1.887138       7.804827 
1 1 1 13 20 9  o 156.7368 2.577097 246.0453       8.076350      249.3042       10.83931      242.7864       11.96575      157.7880 3.434771 155.6855 3.842924 2.102463       5.154194 
1 1 1 13 20 10 o 95.77119 3.160573 92.09874       5.982875      83.66816       9.202788      100.6002       7.651280      91.33071 5.038168 100.2117 3.817559 -8.880959      6.321146 
1 1 1 13 20 11 o 98.55322 2.770495 97.34127       5.462163      94.29493       7.637110      100.3876       7.807138      97.00980 3.936257 100.0966 3.899801 -3.086823      5.540990 
1 1 1 13 20 12 o 107.9779 2.671206 116.8237       5.768923      115.1234       8.125941      118.5240       8.189702      107.1914 3.790388 108.7645 3.764880 -1.573029      5.342412 
1 1 1 13 20 13 o 148.0513 2.449121 219.5492       7.254546      221.8871       10.21588      217.2822       10.29380      148.8298 3.432065 147.2727 3.494812 1.557175       4.898242 
1 1 1 13 20 14 o 104.2677 2.713912 108.9599       5.659113      110.8019       7.955913      107.1888       8.048012      105.1355 3.783648 103.3999 3.891693 1.735596       5.427824 
1 1 1 13 20 15 f 146.7368 2.452945 215.7944       7.197870      214.4483       10.17337      217.2113       10.18754      146.2664 3.477685 147.2073 3.460268 -0.9409790     4.905890 
1 1 1 13 20 16 o 93.06789 2.995931 87.21041       5.586851      97.19958       8.380984      77.29209       7.396237      98.39235 4.258961 87.74343 4.214695 10.64892       5.991862 
1 1 1 13 20 17 o 22.08472 6.413564 1.480664       4.624065      -1.195158      6.012630      4.156487       7.027842      19.04956 8.328208 25.11987 9.755828 -6.070311      12.82713 
1 1 1 13 20 18 o 74.67588 3.789231 56.16605       5.666906      55.01836       7.389152      57.30666       8.593520      73.94917 4.996102 75.40259 5.698426 -1.453415      7.578463 
1 1 1 13 20 19 f 21.33918 6.353846 0.7066098      4.640359      0.9634944      5.989960      0.4495835      7.084518      20.72845 8.657023 21.94991 9.302762 -1.221470      12.70769 
1 1 1 13 20 20 o 50.39873 5.154773 26.30482       4.931533      30.41383       6.372524      22.19580       7.530843      54.87474 5.806428 45.92273 8.518928 8.952011       10.30955 
1 1 1 13 20 21 o 73.31564 3.454344 54.15405       5.066138      53.96277       6.832309      54.35242       7.481250      73.20781 4.666380 73.42348 5.094591 -0.2156677     6.908687 
1 1 1 13 20 22 o 80.93723 3.212090 65.97811       5.198619      65.99229       7.141194      65.97103       7.559181      80.96040 4.410301 80.91405 4.671118 0.4635620E-01  6.424181 
1 1 1 13 20 23 o 69.16371 3.807183 48.35183       5.254587      47.86300       8.494337      48.84066       6.189743      68.69661 6.182500 69.63081 4.444687 -0.9342041     7.614365 
1 1 1 13 20 24 o 88.50696 3.525367 79.06322       6.245002      79.84251       9.727042      78.35477       7.835476      88.83544 5.474753 88.17848 4.442965 0.6569595      7.050735 
1 1 1 13 20 25 o 57.14704 5.513137 33.98443       6.479500      40.86350       10.90307      27.11245       7.001628      62.79459 8.681538 51.49948 6.797767 11.29511       11.02627 
1 1 1 13 20 26 o 77.73489 3.951490 61.51487       6.168490      63.68982       9.939578      59.33992       7.311223      78.92822 6.296594 76.54157 4.775981 2.386650       7.902979 
1 1 1 13 20 27 f 119.0055 2.892696 142.9656       6.900320      145.5869       11.03768      140.3443       8.281801      119.9501 4.600945 118.0608 3.507430 1.889305       5.785392 
1 1 1 13 20 28 o 55.77316 4.513037 31.95118       5.051261      33.10595       8.005506      30.80348       6.164238      56.61249 7.070441 54.93383 5.610604 1.678665       9.026073 
1 1 1 13 20 29 o 62.70590 4.063903 40.32507       5.119273      42.18122       8.076350      38.46893       6.292469      63.99326 6.310314 61.41854 5.122613 2.574715       8.127807 
1 1 1 13 20 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 20 31 o 80.68279 3.383309 66.60863       5.445868      65.83643       8.650196      67.38793       6.619065      79.95746 5.409249 81.40813 4.065359 -1.450668      6.766618 
1 1 1 13 20 32 o 79.55710 3.330084 64.99337       5.289301      64.15739       8.203872      65.82225       6.674324      78.81770 5.204334 80.29649 4.156050 -1.478798      6.660168 
1 1 1 13 20 33 o 70.31879 3.724083 51.80908       5.151861      43.90276       7.566265      59.71540       6.997378      64.58425 5.857670 76.05331 4.600311 -11.46906      7.448165 
1 1 1 13 20 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 20 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 20 36 o 40.36101 4.936129 18.82356       3.926948      22.74839       6.096227      14.89874       4.951370      44.97591 6.777214 35.74610 7.178499 9.229809       9.872258 
1 1 1 13 20 37 o 31.98686 5.586664 13.37557       3.769672      19.59578       5.829141      7.155363       4.782050      40.08565 7.547697 23.88807 8.238662 16.19758       11.17333 
1 1 1 13 20 38 o 31.95591 5.927476 13.14886       5.034258      7.403321       8.806056      18.89441       4.878399      23.59522 10.19490 40.31659 6.050113 -16.72138      11.85495 
1 1 1 13 21 0  o 177.2287 5.007563 315.2610       17.71838      315.2610       17.71838      315.2610       17.71838      177.2287 5.007563 177.2287 5.007563 0.000000       0.000000 
1 1 1 13 21 1  o 211.0051 3.285873 446.2538       13.87857      440.8696       17.54835      451.6380       21.51568      209.7772 4.182616 212.2330 5.068883 -2.455734      6.571746 
1 1 1 13 21 2  o 255.3970 3.440312 653.9010       17.59794      644.8328       21.99743      663.0400       27.47376      253.6846 4.335587 257.1094 5.342816 -3.424820      6.880624 
1 1 1 13 21 3  o 85.46776 3.584162 73.32476       6.116773      69.78250       8.770633      76.79617       8.529759      83.41294 5.257357 87.52257 4.872891 -4.109627      7.168324 
1 1 1 13 21 4  o 46.29251 5.142403 22.45792       4.552511      15.41591       6.084892      29.49285       6.772799      38.39284 8.168773 54.19219 6.248870 -15.79935      10.28481 
1 1 1 13 21 5  o 74.59921 3.373304 56.01020       5.003087      63.00262       7.073183      49.01778       7.077433      79.28592 4.460555 69.91249 5.061637 9.373428       6.746608 
1 1 1 13 21 6  o 124.8356 2.744484 156.1428       6.866314      151.7504       8.961915      160.5352       10.40007      123.0925 3.640318 126.5787 4.108145 -3.486214      5.488968 
1 1 1 13 21 7  o 86.25583 3.028783 74.59997       5.228374      70.66807       7.197870      78.56730       7.580434      83.97129 4.285912 88.54037 4.280779 -4.569077      6.057566 
1 1 1 13 21 8  o 123.7787 2.602780 153.4507       6.441244      156.3553       9.089437      150.6169       9.131943      124.9383 3.637572 122.6192 3.723699 2.319008       5.205561 
1 1 1 13 21 9  o 73.61723 3.551424 54.38076       5.234750      53.21889       6.943536      55.54262       7.835476      72.84279 4.766111 74.39166 5.266367 -1.548874      7.102847 
1 1 1 13 21 10 o 47.55725 5.656096 23.20180       5.214913      22.20288       8.097604      24.19363       6.575850      46.07967 9.110700 49.03483 6.705285 -2.955154      11.31219 
1 1 1 13 21 11 o 143.9933 2.689576 207.7889       7.743378      207.2222       11.69654      208.3557       10.15211      143.7747 4.067664 144.2120 3.519857 -0.4373474     5.379153 
1 1 1 13 21 12 o 58.35372 4.261359 34.26781       4.968372      33.19805       7.162447      35.33757       6.887568      57.43015 6.235791 59.27730 5.809617 -1.847157      8.522718 
1 1 1 13 21 13 o 164.4737 3.123349 271.5496       10.25838      275.9420       12.91508      267.1572       15.93308      165.8728 3.893066 163.0746 4.885211 2.798157       6.246699 
1 1 1 13 21 14 o 53.27792 6.219306 29.88250       6.223749      21.62195       9.195704      38.13596       8.388069      45.10935 10.39863 61.44650 6.825506 -16.33715      12.43861 
1 1 1 13 21 15 o 78.70000 3.651370 62.32959       5.739877      63.95194       7.750463      60.70723       8.465999      79.75207 4.859098 77.64792 5.451530 2.104149       7.302741 
1 1 1 13 21 16 o 117.0018 2.913665 137.5105       6.789802      143.6740       8.820225      131.3470       10.32214      119.6721 3.685164 114.3316 4.514126 5.340523       5.827330 
1 1 1 13 21 17 o 129.7586 2.835202 169.1783       7.325392      177.3963       9.557014      160.9602       11.10144      132.9655 3.593795 126.5517 4.386129 6.413841       5.670404 
1 1 1 13 21 18 o 168.2500 2.478723 284.0892       8.338477      280.4052       11.73196      287.8440       11.85948      167.1480 3.509454 169.3520 3.501430 -2.203995      4.957447 
1 1 1 13 21 19 o 71.87302 3.528075 52.34042       5.066138      44.34908       6.799012      60.33175       7.509589      66.33965 5.124395 77.40638 4.850756 -11.06673      7.056150 
1 1 1 13 21 20 o 111.3333 2.776921 124.6167       6.182659      127.9464       8.749379      121.2869       8.735210      112.8282 3.877301 109.8384 3.976393 2.989845       5.553842 
1 1 1 13 21 21 o 33.03807 6.411374 11.50526       4.604228      6.191161       6.261296      16.82573       6.752253      26.32073 9.392290 39.75541 8.729707 -13.43468      12.82275 
1 1 1 13 21 22 o 157.7352 2.640600 250.2252       8.331393      242.6447       11.54776      257.7348       12.01534      155.3602 3.716449 160.1101 3.752212 -4.749908      5.281201 
1 1 1 13 21 23 f 88.68805 3.693835 79.55913       6.524132      82.60548       8.388069      76.44194       9.996255      90.50719 4.633924 86.86891 5.753644 3.638275       7.387670 
1 1 1 13 21 24 o 62.42044 5.446343 40.90601       6.856396      52.27666       10.91016      29.52827       8.303054      71.28516 7.652474 53.55571 7.751792 17.72945       10.89269 
1 1 1 13 21 25 o 57.55945 5.542849 34.29615       6.408655      35.51469       10.66220      33.07053       7.112856      58.23499 9.154462 56.88390 6.252082 1.351086       11.08570 
1 1 1 13 21 26 o 103.9995 3.135004 109.3141       6.526258      110.4476       10.34340      108.2514       7.962997      104.3812 4.954624 103.6178 3.842487 0.7634735      6.270008 
1 1 1 13 21 27 f 46.37745 5.846988 23.17346       5.079599      16.88241       7.955913      29.46451       6.315140      39.07677 10.10674 53.67813 5.882414 -14.60135      11.69398 
1 1 1 13 21 28 o 77.51005 3.518577 61.18190       5.452245      61.11105       8.593520      61.25274       6.707621      77.29153 5.559161 77.72857 4.314772 -0.4370422     7.037153 
1 1 1 13 21 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 21 30 o 75.91931 3.604392 59.23365       5.514588      64.78083       8.664365      53.68648       6.824516      79.34447 5.459968 72.49415 4.706943 6.850319       7.208784 
1 1 1 13 21 31 o 57.18864 4.248382 34.46618       4.913821      41.59320       7.800055      27.33207       5.979333      63.10329 6.180386 51.27399 5.830766 11.82930       8.496764 
1 1 1 13 21 32 o 26.25911 6.339839 6.480209       4.458995      1.829223       6.854979      11.12978       5.703745      21.51332 9.135865 31.00490 8.792622 -9.491583      12.67968 
1 1 1 13 21 33 o 38.20874 10.75161 28.74189       13.65187      20.31840       21.41650      37.16538       16.93908      32.90966 14.94981 43.50782 15.45612 -10.59816      21.50323 
1 1 1 13 21 34 o 49.41821 4.977252 27.39583       4.670114      22.45084       6.850729      32.34082       6.349853      43.91873 8.103663 54.91770 5.781245 -10.99897      9.954505 
1 1 1 13 21 35 o 45.36512 4.926192 23.70480       4.304553      30.27923       6.490126      17.13037       5.656280      52.54664 6.175587 38.18359 7.676693 14.36304       9.852385 
1 1 1 13 21 36 o 29.93928 6.222876 11.66820       3.985749      11.56902       5.922657      11.76738       5.334641      29.56235 9.115951 30.31620 8.473262 -0.7538509     12.44575 
1 1 1 13 21 37 o 46.12871 4.381954 24.60453       3.957411      21.79198       6.026091      27.41709       5.130608      42.52753 7.084930 49.72990 5.158474 -7.202370      8.763908 
1 1 1 13 22 0  o 56.61547 7.115242 33.64437       7.849646      33.64437       7.849646      33.64437       7.849646      56.61547 7.115242 56.61547 7.115242 0.000000       0.000000 
1 1 1 13 22 1  o 83.79617 3.457856 70.52637       5.810013      75.37926       8.735210      65.63806       7.665448      86.68634 5.038401 80.90601 4.737256 5.780334       6.915712 
1 1 1 13 22 2  o 30.77401 7.169181 8.820225       5.278674      12.22079       7.318307      5.411863       7.608772      34.41396 10.02514 27.13406 10.25110 7.279894       14.33836 
1 1 1 13 22 3  o 49.37013 5.349357 24.58328       5.287176      22.74839       7.169532      26.41817       7.771716      47.52611 7.542730 51.21415 7.587470 -3.688046      10.69871 
1 1 1 13 22 4  o 127.1511 2.971878 162.0229       7.559181      158.4807       10.26547      165.6360       11.10852      125.7555 4.081518 128.5466 4.320815 -2.791107      5.943756 
1 1 1 13 22 5  f 91.02023 3.292001 83.10139       6.008380      80.55096       7.608772      85.65182       9.301972      89.64487 4.243841 92.39558 5.033775 -2.750710      6.584002 
1 1 1 13 22 6  o 202.6311 2.737063 411.4688       11.08019      416.2154       14.45950      406.6513       16.79739      203.8414 3.546752 201.4209 4.169725 2.420547       5.474126 
1 1 1 13 22 7  f 95.19749 3.265167 91.17775       6.140152      101.3794       8.055097      80.97604       9.266549      100.5749 4.004527 89.82008 5.158395 10.75481       6.530334 
1 1 1 13 22 8  o 137.0401 2.564288 188.2356       7.025008      195.6035       9.904156      180.8677       9.960832      139.7291 3.544057 134.3511 3.707015 5.377975       5.128577 
1 1 1 13 22 9  o 137.3260 2.923997 189.1566       8.026759      193.1240       11.15103      185.1185       11.54776      138.7900 4.017231 135.8621 4.249811 2.927887       5.847994 
1 1 1 13 22 10 o 85.21351 3.992388 73.04137       6.815306      76.15857       10.10252      69.95962       9.146112      87.00811 5.805506 83.41891 5.482038 3.589203       7.984776 
1 1 1 13 22 11 o 36.35638 7.341433 13.76522       5.651320      11.71071       8.232210      15.82681       7.743378      34.03822 10.79340 38.67455 9.954353 -4.636333      14.68287 
1 1 1 13 22 12 o 61.07418 5.452193 37.82424       6.566639      40.45968       7.651280      35.18171       10.67637      63.35778 6.038153 58.79059 9.079997 4.567184       10.90439 
1 1 1 13 22 13 o 85.22807 3.607954 73.11222       6.141568      73.89152       7.778800      72.26208       9.507423      85.75666 4.535392 84.69949 5.612444 1.057175       7.215907 
1 1 1 13 22 14 o 118.0746 2.750492 139.9901       6.489419      144.8075       9.089437      135.1018       9.266549      120.1337 3.783050 116.0156 3.993666 4.118126       5.500985 
1 1 1 13 22 15 o 53.97755 4.449954 30.04544       4.744502      21.45192       6.233667      38.63896       7.155363      46.05304 6.767923 61.90207 5.779583 -15.84903      8.899908 
1 1 1 13 22 16 o 111.6616 2.773459 125.2543       6.191161      128.5132       8.628942      121.9954       8.876901      113.1278 3.813803 110.1953 4.027803 2.932472       5.546917 
1 1 1 13 22 17 o 120.0438 2.739621 144.8075       6.580100      139.0691       9.117774      150.5460       9.486169      117.6643 3.874487 122.4233 3.874332 -4.759003      5.479242 
1 1 1 13 22 18 o 225.7958 2.613537 511.9272       11.80281      508.8809       16.50693      514.9736       16.87532      225.1314 3.666065 226.4601 3.725892 -1.328766      5.227075 
1 1 1 13 22 19 o 36.78717 6.327159 14.63661       4.750877      9.103605       6.401570      20.16962       7.021466      29.88220 9.522272 43.69215 8.334152 -13.80995      12.65432 
1 1 1 13 22 20 o 99.67761 3.035862 100.0334       6.045219      103.0089       8.345562      96.98705       8.749379      101.2026 4.123196 98.15263 4.457028 3.049957       6.071725 
1 1 1 13 22 21 o 38.25496 6.186140 15.52926       4.933658      22.91133       6.852854      8.147196       7.098687      47.37998 7.231803 29.12994 10.03864 18.25005       12.37228 
1 1 1 13 22 22 o 133.3627 3.033074 179.2383       8.083434      171.6579       11.54776      186.8187       11.30689      130.5104 4.424078 136.2150 4.150383 -5.704636      6.066148 
1 1 1 13 22 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 22 24 o 71.08664 4.470533 51.68864       6.369689      49.13113       8.430575      54.25324       9.549930      69.38387 6.075315 72.78942 6.559972 -3.405556      8.941067 
1 1 1 13 22 25 o 132.1995 2.976574 176.5462       7.849646      174.2083       12.60336      178.8132       9.365732      131.1397 4.805319 133.2594 3.514099 -2.119705      5.953149 
1 1 1 13 22 26 o 61.19366 4.332684 38.43351       5.344560      41.55778       8.501422      35.31632       6.482334      63.54125 6.689687 58.84606 5.507874 4.695190       8.665367 
1 1 1 13 22 27 o 26.49153 6.790866 6.330016       4.736708      5.300636       7.417490      7.360813       5.890069      25.99081 10.03734 26.99225 9.149605 -1.001440      13.58173 
1 1 1 13 22 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 22 29 o 64.12220 4.022693 42.59921       5.200744      48.40851       8.133026      36.78990       6.488001      68.42728 5.942824 59.81711 5.423199 8.610172       8.045386 
1 1 1 13 22 30 o 44.56546 5.696766 21.85574       4.816055      17.10203       7.438744      26.60945       6.120315      38.60900 9.650089 50.52192 6.057089 -11.91292      11.39353 
1 1 1 13 22 31 o 53.78294 4.698555 30.89558       5.034966      30.46342       7.892153      31.32065       6.254212      52.96824 7.449892 54.59764 5.727548 -1.629402      9.397111 
1 1 1 13 22 32 o 44.27876 5.966426 22.55002       5.085267      18.17179       7.651280      26.92825       6.704079      38.66037 9.862191 49.89714 6.717899 -11.23677      11.93285 
1 1 1 13 22 33 f 47.24648 5.459161 26.52443       5.074640      31.74572       7.828392      21.29606       6.461080      52.35583 7.476142 42.13714 7.957201 10.21869       10.91832 
1 1 1 13 22 34 o 29.07214 6.348225 10.63386       4.079265      12.23496       6.238626      9.032760       5.256712      31.00180 9.315468 27.14247 8.626814 3.859335       12.69645 
1 1 1 13 22 35 o 45.58897 4.767311 23.89608       4.181991      21.89116       6.310180      25.89391       5.489793      42.66644 7.674201 48.51151 5.658237 -5.845078      9.534622 
1 1 1 13 22 36 f 32.65360 5.894808 14.34615       4.069347      19.93583       6.002712      8.756464       5.496169      39.82902 7.814138 25.47817 8.828038 14.35085       11.78962 
1 1 1 13 22 37 o 15.19663 5.011997 -1.762628      3.785258      -3.074681      5.525216      -0.4505045     5.175241      14.65619 6.960748 15.73707 7.213073 -1.080875      10.02399 
1 1 1 13 23 0  o 192.5229 3.570338 371.3705       13.73688      371.3705       13.73688      371.3705       13.73688      192.5229 3.570338 192.5229 3.570338 0.000000       0.000000 
1 1 1 13 23 1  o 278.3911 2.766488 777.1716       15.40883      794.1744       22.23122      759.4603       21.33857      281.4960 3.948763 275.2863 3.875705 6.209717       5.532975 
1 1 1 13 23 2  o 246.8031 2.844247 610.8271       14.09111      583.4100       17.92383      638.3151       21.74238      241.2972 3.714057 252.3090 4.308682 -11.01181      5.688494 
1 1 1 13 23 3  o 107.9099 2.755620 116.7529       5.943202      112.1479       8.402238      121.3578       8.409323      105.7763 3.971701 110.0435 3.820909 -4.267181      5.511239 
1 1 1 13 23 4  o 55.45181 4.660750 31.07978       5.095893      27.12662       7.637110      35.02586       6.750837      51.86851 7.361992 59.03512 5.717645 -7.166615      9.321501 
1 1 1 13 23 5  o 133.2558 3.271724 178.2465       8.735210      185.0476       13.06385      171.4453       11.59735      135.7805 4.810651 130.7311 4.435578 5.049423       6.543448 
1 1 1 13 23 6  o 87.81666 4.490939 77.71716       7.835476      82.46378       10.16628      72.97054       11.93033      90.56656 5.612604 85.06676 7.012332 5.499802       8.981877 
1 1 1 13 23 7  o 61.76790 6.245409 39.68747       7.197870      48.26682       9.160281      31.10812       11.10144      69.19668 6.619019 54.33912 10.59288 14.85756       12.49082 
1 1 1 13 23 8  o 194.2593 4.294183 380.0844       16.68404      378.9508       18.83773      381.2888       27.54460      194.2154 4.849701 194.3032 7.088048 -0.8779907E-01 8.588366 
1 1 1 13 23 9  o 116.1337 3.892119 135.9519       8.940661      147.0037       11.30689      124.9001       13.85732      120.9652 4.673613 111.3022 6.225086 9.663010       7.784237 
1 1 1 13 23 10 o 154.1425 3.057728 238.9608       9.542846      220.6827       10.65512      257.2389       15.83390      148.3388 3.591480 159.9463 4.949755 -11.60750      6.115456 
1 1 1 13 23 11 o 26.68332 6.858801 5.085267       5.037092      9.450747       6.837267      0.7212039      7.396237      30.70120 9.846835 22.66545 9.550520 8.035746       13.71760 
1 1 1 13 23 12 o 157.9016 2.599544 250.3669       8.196787      264.7484       11.63278      235.9144       11.56193      162.4652 3.580082 153.3379 3.770083 9.127304       5.199088 
1 1 1 13 23 13 o 114.6701 2.825829 131.9846       6.480209      132.8347       9.061099      131.2053       9.266549      115.0305 3.938564 114.3097 4.053264 0.7207718      5.651658 
1 1 1 13 23 14 o 58.33591 5.314834 36.13104       5.620856      23.38599       8.274716      48.86900       7.608772      47.05943 9.117155 69.61240 5.465098 -22.55298      10.62967 
1 1 1 13 23 15 o 104.8041 2.949131 110.5185       6.172032      117.4613       8.713958      103.5757       8.742295      108.1172 4.029865 101.4909 4.306936 6.626335       5.898263 
1 1 1 13 23 16 o 179.6747 2.552053 324.1167       9.167366      328.6508       12.95050      319.5117       12.98592      180.9472 3.578529 178.4021 3.639508 2.545105       5.104105 
1 1 1 13 23 17 o 94.24649 3.145639 89.47746       5.925491      92.66550       8.288886      86.21858       8.465999      95.96321 4.318783 92.52976 4.574744 3.433449       6.291277 
1 1 1 13 23 18 o 45.43357 5.757859 23.12387       4.969081      36.58445       7.254546      9.656199       6.790511      60.10509 6.034885 30.76206 9.807748 29.34302       11.51572 
1 1 1 13 23 19 o 118.8368 3.020422 142.1863       7.190785      137.7939       9.344479      146.5787       10.93850      117.0500 3.991660 120.6236 4.534142 -3.573608      6.040843 
1 1 1 13 23 20 o 203.5067 2.663486 416.4988       10.83931      416.4279       15.24588      416.4988       15.41591      203.5043 3.745838 203.5091 3.787524 -0.4791260E-02 5.326973 
1 1 1 13 23 21 o 137.5338 2.950591 190.6444       8.104689      198.3665       11.29981      182.8514       11.62569      140.3683 4.025058 134.6994 4.315422 5.668854       5.901182 
1 1 1 13 23 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 23 23 f 27.63667 6.614000 2.708411       5.692410      15.04752       7.637110      -9.634944      8.444746      37.13374 10.04183 18.13959 8.610557 18.99415       13.22800 
1 1 1 13 23 24 o 20.75962 6.447888 -1.191616      5.161071      -1.738541      6.712580      -0.6439118     7.842561      19.56256 8.659675 21.95668 9.555684 -2.394115      12.89578 
1 1 1 13 23 25 o 44.53854 6.201533 21.48026       5.338893      20.60886       7.009422      22.35874       8.055097      43.76754 8.308189 45.30955 9.209236 -1.542004      12.40307 
1 1 1 13 23 26 o 30.74381 6.955205 9.585353       5.084558      7.033509       8.104689      12.13578       6.140152      28.22460 10.59973 33.26303 9.008065 -5.038433      13.91041 
1 1 1 13 23 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 23 28 o 58.33202 4.530435 35.36591       5.252461      34.31741       8.359732      36.40734       6.364731      57.13483 7.315792 59.52921 5.345889 -2.394375      9.060869 
1 1 1 13 23 29 o 21.97845 6.012660 -0.2420780     4.658071      10.74013       7.325392      -11.22896      5.754045      31.03821 10.20369 12.91869 6.363414 18.11952       12.02532 
1 1 1 13 23 30 o 73.84615 3.747576 56.86034       5.517423      55.86851       8.607689      57.85217       6.903154      72.83383 5.909129 74.85847 4.610804 -2.024643      7.495152 
1 1 1 13 23 31 o 43.52985 6.313044 21.72113       5.365814      17.59794       8.380984      25.83724       6.699829      37.99292 10.62105 49.06677 6.827256 -11.07386      12.62609 
1 1 1 13 23 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 23 33 o 36.21788 5.842597 16.59903       4.574473      25.96476       6.963373      7.240376       5.933992      47.61657 7.311922 24.81919 9.114799 22.79737       11.68519 
1 1 1 13 23 34 f 21.47786 5.993531 4.252836       3.951036      2.078598       5.953829      6.427074       5.195786      19.56268 8.416795 23.39305 8.535057 -3.830362      11.98706 
1 1 1 13 23 35 o 23.66568 6.203414 6.921574       4.040300      5.274423       6.144402      8.565183       5.246794      21.87403 8.908252 25.45732 8.635534 -3.583290      12.40683 
1 1 1 13 23 36 o 21.08829 5.947698 5.618022       3.801552      7.332476       5.882275      3.900735       4.817472      22.99297 8.926275 19.18362 7.862699 3.809347       11.89540 
1 1 1 13 24 0  o 140.6549 4.411717 198.7916       12.38374      198.7916       12.38374      198.7916       12.38374      140.6549 4.411717 140.6549 4.411717 -0.000000      0.000000 
1 1 1 13 24 1  o 94.41418 3.513212 89.61916       6.614814      95.28677       9.181536      84.02238       9.528677      97.40523 4.713061 91.42313 5.211305 5.982101       7.026425 
1 1 1 13 24 2  o 48.96209 5.501676 24.34240       5.411155      21.44484       7.014381      27.24706       8.239295      46.04642 7.616641 51.87775 7.941068 -5.831326      11.00335 
1 1 1 13 24 3  o 62.79702 4.615099 39.80790       5.812139      37.47001       7.651280      42.14579       8.749379      60.97163 6.274458 64.62241 6.769618 -3.650772      9.230198 
1 1 1 13 24 4  o 98.54003 3.441136 97.62466       6.768548      101.9462       9.245295      93.30310       9.882903      100.7489 4.588288 96.33121 5.129648 4.417648       6.882273 
1 1 1 13 24 5  o 67.36763 4.090284 45.95018       5.453662      39.30490       7.821308      52.58838       7.608772      62.43164 6.263897 72.30363 5.261681 -9.871990      8.180568 
1 1 1 13 24 6  o 98.50990 3.027863 97.69550       5.955954      107.7555       8.607689      87.63548       8.232210      103.6071 4.154006 93.41270 4.406365 10.19438       6.055727 
1 1 1 13 24 7  o 137.9234 2.665483 190.9278       7.353730      181.5762       10.20170      200.3502       10.59135      134.5288 3.791643 141.3179 3.747350 -6.789108      5.330965 
1 1 1 13 24 8  o 102.6968 3.192899 106.0552       6.525549      98.82903       9.656199      113.3523       8.777717      99.13829 4.870065 106.2553 4.130484 -7.117027      6.385799 
1 1 1 13 24 9  o 98.75936 3.343138 98.12057       6.579392      94.15324       9.953747      102.0171       8.607689      96.73146 5.145041 100.7873 4.270227 -4.055801      6.686276 
1 1 1 13 24 10 o 149.6096 2.858275 224.7209       8.551013      222.3121       12.83006      227.1297       11.29272      148.7671 4.312130 150.4521 3.752930 -1.684982      5.716551 
1 1 1 13 24 11 o 81.90944 3.953470 67.65006       6.472415      69.26533       9.025676      66.04188       9.280719      82.90267 5.443538 80.91620 5.734772 1.986473       7.906940 
1 1 1 13 24 12 o 31.99767 6.280248 8.558097       5.278674      20.32548       7.396237      -3.210704      7.530843      43.87346 8.738952 20.12188 9.022017 23.75158       12.56050 
1 1 1 13 24 13 o 76.63125 3.902588 59.46744       6.028925      52.48919       7.502505      66.44569       9.443663      72.15836 5.198638 81.10413 5.821936 -8.945770      7.805176 
1 1 1 13 24 14 o 94.08585 3.508587 89.26492       6.543260      96.49113       8.515590      82.10956       9.939578      97.95852 4.346529 90.21319 5.508939 7.745331       7.017173 
1 1 1 13 24 15 f 164.9260 2.863591 273.8166       9.507423      255.1843       11.75322      292.3781       14.94125      159.3930 3.686868 170.4591 4.382650 -11.06610      5.727182 
1 1 1 13 24 16 o 46.16966 6.127264 23.26556       5.531591      13.16303       7.082392      33.36100       8.501422      35.14134 9.743980 57.19798 7.431574 -22.05664      12.25453 
1 1 1 13 24 17 o 108.1205 3.062995 117.7447       6.615522      123.0581       9.266549      112.3605       9.443663      110.6006 4.189196 105.6404 4.469721 4.960175       6.125991 
1 1 1 13 24 18 o 31.53780 6.867977 9.882903       5.071097      14.94125       7.105771      4.820306       7.233293      37.28827 9.499344 25.78733 9.921638 11.50094       13.73595 
1 1 1 13 24 19 o 109.4148 3.209506 120.6493       7.025008      120.6493       9.911241      120.7202       9.953747      109.4005 4.529798 109.4291 4.548037 -0.2858734E-01 6.419012 
1 1 1 13 24 20 o 32.71915 7.734056 10.85348       5.970123      9.287803       8.196787      12.42624       8.678535      30.95629 10.77565 34.48201 11.09720 -3.525724      15.46811 
1 1 1 13 24 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 24 22 o 48.22192 6.140978 24.62578       5.827724      21.78489       7.686701      27.47376       8.756464      45.03122 8.850222 51.41263 8.515868 -6.381405      12.28196 
1 1 1 13 24 23 o 73.30457 4.450197 55.11754       6.497920      49.86084       9.238212      60.38135       9.139028      69.70737 6.626423 76.90176 5.942015 -7.194389      8.900394 
1 1 1 13 24 24 o 138.1257 2.920203 192.9823       8.062181      196.8788       11.07310      189.1566       11.71779      139.5686 3.966904 136.6828 4.286491 2.885757       5.840405 
1 1 1 13 24 25 o 43.97454 6.219845 21.10478       5.290718      20.27589       6.949912      21.93367       7.977167      43.26634 8.328740 44.68275 9.240020 -1.416409      12.43969 
1 1 1 13 24 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 24 27 o 56.52798 4.261771 33.19805       4.825265      37.21497       7.197870      29.18113       6.426365      59.96862 6.001364 53.08733 6.052637 6.881290       8.523542 
1 1 1 13 24 28 o 20.53371 6.127032 -1.232706      4.819597      7.410406       7.757547      -9.875818      5.723582      27.72067 10.37819 13.34674 6.515763 14.37392       12.25406 
1 1 1 13 24 29 o 26.58787 6.900133 7.275800       4.956328      11.15103       7.707955      3.401986       6.229416      30.98339 10.46674 22.19234 8.994142 8.791056       13.80027 
1 1 1 13 24 30 o 28.42659 7.070615 8.295970       5.295677      5.251045       8.331393      11.33523       6.543969      25.68672 10.40512 31.16645 9.576419 -5.479733      14.14123 
1 1 1 13 24 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 24 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 24 33 o 16.66433 5.386066 -2.330098      4.138775      -5.180908      6.298845      0.5204287      5.369356      15.58531 7.416263 17.74335 7.812675 -2.158046      10.77213 
1 1 1 13 24 34 o 41.79804 5.414577 21.68571       4.288967      15.18921       6.276175      28.18221       5.847561      33.52506 9.119953 50.07102 5.839267 -16.54596      10.82915 
1 1 1 13 24 35 o 23.01076 6.287109 7.021466       4.177032      9.188620       6.016881      4.857854       5.795135      25.24821 9.187393 20.77331 8.585031 4.474895       12.57422 
1 1 1 13 25 0  o 64.41737 7.999542 43.68314       10.04585      43.68314       10.04585      43.68314       10.04585      64.41737 7.999542 64.41737 7.999542 0.000000       0.000000 
1 1 1 13 25 1  o 43.49009 7.095068 20.10586       6.131650      21.42358       9.932493      18.79523       7.190785      44.77291 11.12678 42.20727 8.806512 2.565639       14.19014 
1 1 1 13 25 2  f 137.2399 3.083166 189.1566       8.465999      191.2820       12.46875      187.1021       11.45567      137.9755 4.518466 136.5043 4.196082 1.471161       6.166331 
1 1 1 13 25 3  o 19.60302 6.274242 -4.190492      5.302053      -1.752710      7.849646      -6.628275      7.127024      21.58785 9.476207 17.61820 8.225934 3.969652       12.54848 
1 1 1 13 25 4  o 74.33707 4.106093 55.69847       6.112522      56.54153       9.571183      54.86250       7.608772      74.83506 6.394853 73.83907 5.152267 0.9959946      8.212186 
1 1 1 13 25 5  o 20.70512 6.275125 -0.2010586     4.650278      0.3595393      6.879067      -0.7615856     6.259880      21.62330 9.165736 19.78694 8.573099 1.836357       12.55025 
1 1 1 13 25 6  o 134.2413 2.699100 180.8677       7.247461      176.2628       10.15211      185.4727       10.34340      132.5305 3.830104 135.9521 3.804060 -3.421570      5.398201 
1 1 1 13 25 7  o 99.21571 3.206012 99.18325       6.321515      108.9599       8.671450      89.40662       9.195704      104.1575 4.162663 94.27393 4.877120 9.883560       6.412024 
1 1 1 13 25 8  o 62.45453 4.193532 39.37575       5.236876      39.67330       7.580434      39.07820       7.233293      62.67888 6.047040 62.23017 5.811725 0.4487114      8.387064 
1 1 1 13 25 9  o 123.0623 2.813537 152.1754       6.929367      145.4451       9.514507      158.9766       10.07418      120.3295 3.953522 125.7952 4.004202 -5.465660      5.627074 
1 1 1 13 25 10 o 29.89672 6.860457 8.841478       4.766464      11.27147       6.881900      6.419991       6.597104      32.85808 9.765940 26.93537 9.637940 5.922705       13.72091 
1 1 1 13 25 11 o 27.00254 6.253300 4.123898       4.906028      -5.980042      6.852146      14.22571       7.022882      17.45246 8.116403 36.55262 9.515201 -19.10015      12.50660 
1 1 1 13 25 12 o 80.87262 3.726249 65.95686       6.016172      64.21407       9.011506      67.69257       7.970083      79.75675 5.649369 81.98849 4.860488 -2.231743      7.452497 
1 1 1 13 25 13 o 84.87296 3.687135 72.82884       6.288927      79.06322       9.627860      66.59447       8.090520      88.47828 5.440804 81.26762 4.977701 7.210655       7.374270 
1 1 1 13 25 14 o 45.61585 6.110850 22.05410       5.473498      27.61545       8.253463      16.49984       7.190785      51.97074 7.940490 39.26096 9.290778 12.70978       12.22170 
1 1 1 13 25 15 o 31.60204 7.294619 9.960832       5.423198      13.66603       8.125941      6.252795       7.190785      35.94899 10.59330 27.25509 10.03134 8.693903       14.58924 
1 1 1 13 25 16 o 48.91046 6.366415 25.39800       5.999878      24.39908       8.303054      26.39691       8.664365      47.93297 8.992833 49.88795 9.014093 -1.954979      12.73283 
1 1 1 13 25 17 o 23.02052 6.468753 -2.124647      5.446577      8.218040       7.162447      -12.46875      8.203872      29.25690 10.08351 16.78413 8.105674 12.47276       12.93751 
1 1 1 13 25 18 o 115.0813 3.602435 133.8974       8.288886      134.4642       10.54176      133.3306       12.78755      115.4485 4.565571 114.7141 5.573663 0.7343521      7.204870 
1 1 1 13 25 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 25 20 o 68.33897 5.294980 48.23848       7.282885      44.42701       9.061099      52.05703       11.40607      65.79182 6.886190 70.88613 8.045349 -5.094315      10.58996 
1 1 1 13 25 21 o 41.56828 6.661920 19.05027       5.880858      8.338477       7.800055      29.75498       8.798972      29.57936 10.49027 53.55719 8.214556 -23.97783      13.32384 
1 1 1 13 25 22 o 18.69064 6.038052 -4.837308      5.165322      -2.064428      6.913781      -7.608772      7.672533      19.61042 8.722269 17.77085 8.351904 1.839567       12.07610 
1 1 1 13 25 23 o 39.70772 6.543605 17.58377       5.611646      7.417490       7.197870      27.75006       8.607689      27.98670 10.06192 51.42874 8.368559 -23.44204      13.08721 
1 1 1 13 25 24 o 26.51317 7.087064 5.920532       5.250336      2.922364       6.837267      8.919409       7.970083      23.13882 9.405890 29.88752 10.60354 -6.748701      14.17413 
1 1 1 13 25 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 25 26 o 26.94454 6.492878 4.714746       5.194368      -5.879441      6.966206      15.30964       7.707955      17.25028 8.078272 36.63880 10.16717 -19.38852      12.98576 
1 1 1 13 25 27 o 29.87553 7.167066 9.691620       5.137692      10.42133       6.920157      8.961915       7.594603      30.57924 9.916224 29.17182 10.35064 1.407421       14.33413 
1 1 1 13 25 28 o 41.89148 5.801257 19.70204       4.753003      17.33581       6.837267      22.06827       6.604896      38.63532 9.006245 45.14764 7.314774 -6.512325      11.60251 
1 1 1 13 25 29 o 34.79313 7.240263 14.31781       5.613063      11.88074       8.855647      16.75488       6.896070      31.77381 11.18675 37.81245 9.194683 -6.038643      14.48053 
1 1 1 13 25 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 25 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 25 32 o 24.87197 6.454370 6.560972       4.598560      1.655652       6.682117      11.46275       6.318681      20.09053 8.781499 29.65340 9.461545 -9.562872      12.90874 
1 1 1 13 25 33 o 19.30869 5.973019 1.914945       4.383899      1.557885       6.266964      2.272713       6.132358      19.11014 8.425100 19.50724 8.469091 -0.3971081     11.94604 
1 1 1 13 25 34 o 29.43629 6.190615 11.61861       4.728208      3.951036       7.105771      19.29114       6.241460      20.80625 9.075281 38.06633 8.422241 -17.26008      12.38123 
1 1 1 13 26 0  o 13.88339 9.211455 -1.042841      6.468165      -1.042841      6.468165      -1.042841      6.468165      13.88339 9.211455 13.88339 9.211455 0.000000       0.000000 
1 1 1 13 26 1  o 40.13492 6.259953 17.08077       4.890443      17.37832       6.978250      16.77614       6.852854      40.49128 8.860332 39.77856 8.845480 0.7127151      12.51991 
1 1 1 13 26 2  o 34.22816 6.339851 12.19954       4.768589      5.136983       6.662281      19.26280       6.823808      25.65255 9.614965 42.80378 8.266033 -17.15124      12.67970 
1 1 1 13 26 3  o 147.9788 3.207368 220.3285       9.429493      231.1678       11.60444      209.5600       14.85623      151.7312 3.824012 144.2264 5.150317 7.504822       6.414735 
1 1 1 13 26 4  o 95.81818 3.387654 92.38211       6.490835      92.52380       8.954830      92.31127       9.401155      95.88901 4.669373 95.74736 4.909355 0.1416473      6.775309 
1 1 1 13 26 5  o 55.94590 5.355433 31.95118       6.009089      35.90434       9.039845      27.99801       7.913406      59.41610 7.607235 52.47570 7.540067 6.940395       10.71087 
1 1 1 13 26 6  o 149.7527 3.095259 225.5711       9.259464      220.3285       13.60227      230.8136       12.56793      147.9685 4.596341 151.5368 4.146825 -3.568283      6.190517 
1 1 1 13 26 7  o 48.02316 6.298859 24.08736       5.866689      21.37399       8.777717      26.80073       7.785885      44.71532 10.05910 51.33100 7.584000 -6.615677      12.59772 
1 1 1 13 26 8  o 97.20922 3.663972 95.28677       7.134109      96.91621       11.29981      93.58647       8.721042      97.96790 5.767097 96.45055 4.520991 1.517349       7.327944 
1 1 1 13 26 9  f 74.87785 5.120335 56.94535       7.601687      55.30883       12.90091      58.58188       8.055097      73.53286 8.772205 76.22285 5.283912 -2.689995      10.24067 
1 1 1 13 26 10 o 40.20177 6.542499 17.30039       5.183033      14.10528       7.367898      20.48843       7.289969      36.37115 9.875648 44.03240 8.584214 -7.661247      13.08500 
1 1 1 13 26 11 o 45.13930 5.725285 21.26064       5.032842      18.79523       7.141194      23.73314       7.091603      42.02750 8.781399 48.25109 7.348644 -6.223595      11.45057 
1 1 1 13 26 12 o 73.30092 3.885955 54.33825       5.691702      57.66089       8.097604      51.01562       7.998421      75.56268 5.358204 71.03916 5.629585 4.523514       7.771910 
1 1 1 13 26 13 o 36.91568 6.894021 14.54451       5.207829      16.64862       7.183701      12.44041       7.537927      39.45775 9.253450 34.37360 10.22173 5.084148       13.78804 
1 1 1 13 26 14 o 34.20302 7.076830 12.31998       5.236876      15.12545       7.318307      9.514507       7.488335      37.50583 9.689950 30.90021 10.31654 6.605614       14.15366 
1 1 1 13 26 15 o 27.25313 7.100306 5.814972       5.280091      2.068679       7.332476      9.564099       7.601687      23.48490 9.675497 31.02137 10.39433 -7.536472      14.20061 
1 1 1 13 26 16 o 66.63322 5.146431 45.44010       6.818849      42.04661       10.08127      48.82650       9.181536      64.02176 7.873315 69.24470 6.629775 -5.222939      10.29286 
1 1 1 13 26 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 26 18 o 75.05381 5.151709 58.14264       7.686701      52.92843       11.21479      63.35685       10.50634      71.50697 7.841747 78.60065 6.683368 -7.093674      10.30342 
1 1 1 13 26 19 o 51.03695 6.530351 27.69338       6.525549      30.08086       9.443663      25.30589       9.011506      53.72997 8.788076 48.34392 9.661865 5.386055       13.06070 
1 1 1 13 26 20 o 48.27169 6.991047 26.06394       6.733126      38.91526       9.663282      13.20554       9.379901      61.27153 7.885622 35.27184 11.54625 25.99969       13.98209 
1 1 1 13 26 21 o 133.4501 3.292330 180.6552       8.777717      182.2138       11.23604      179.0966       13.48892      134.2074 4.186075 132.6927 5.082766 1.514664       6.584659 
1 1 1 13 26 22 o 21.47629 6.736816 -1.623063      5.797261      -4.086349      6.993836      0.8402238      9.245295      18.43634 8.423063 24.51623 10.51622 -6.079895      13.47363 
1 1 1 13 26 23 o 65.33364 5.275992 44.80958       6.915907      42.44335       8.905238      47.16872       10.58427      63.80004 6.979023 66.86724 7.914392 -3.067204      10.55198 
1 1 1 13 26 24 o 55.17150 7.363031 34.70705       7.587519      46.77198       8.225125      22.64212       12.75922      67.13886 6.125458 43.20415 13.39163 23.93472       14.72606 
1 1 1 13 26 25 o 37.94563 7.603032 14.79956       7.212039      22.85465       7.530843      6.740918       12.30581      45.42861 8.601270 30.46265 12.53964 14.96596       15.20606 
1 1 1 13 26 26 o 27.63704 7.371196 7.332476       5.559929      6.990294       7.587519      7.665448       8.125941      27.14111 10.24177 28.13298 10.60397 -0.9918785     14.74239 
1 1 1 13 26 27 o 48.06723 6.065047 26.52443       5.704454      19.34782       7.325392      33.70813       8.749379      40.71723 9.209908 55.41723 7.894097 -14.70000      12.13009 
1 1 1 13 26 28 o 67.94251 4.942354 51.28483       6.739501      37.25748       8.338477      65.31925       10.59135      58.34325 7.146051 77.54177 6.829451 -19.19852      9.884707 
1 1 1 13 26 29 o 40.79803 9.245867 31.25689       8.607689      33.43184       11.97992      29.08195       12.35540      43.07258 12.90205 38.52348 13.24694 4.549095       18.49173 
1 1 1 13 26 30 o 21.90501 7.106284 -4.381066      7.630026      5.973666       10.25838      -14.73580      11.29272      25.58582 11.02860 18.22419 8.964768 7.361629       14.21257 
1 1 1 13 26 31 o 34.65540 6.727582 16.16687       5.176658      23.98109       7.870899      8.352647       6.723207      43.32034 9.350503 25.99047 9.675201 17.32986       13.45516 
1 1 1 13 26 32 o 46.77810 5.467738 26.64487       4.981833      27.58003       7.842561      25.70263       6.150070      46.27898 8.790859 47.27722 6.504263 -0.9982376     10.93548 
1 1 1 13 26 33 o 41.21550 6.050916 22.59961       4.885483      18.39849       7.693786      26.79365       6.024674      34.56939 10.33643 47.86161 6.293849 -13.29222      12.10183 
1 1 1 13 27 0  o 114.0561 4.299191 130.9927       9.776634      130.9927       9.776634      130.9927       9.776634      114.0561 4.299191 114.0561 4.299191 -0.000000      0.000000 
1 1 1 13 27 1  o 118.0246 2.960532 140.1318       6.984626      130.9219       9.719957      149.4125       10.03168      114.1175 4.258749 121.9317 4.113644 -7.814209      5.921064 
1 1 1 13 27 2  o 113.4817 3.354062 129.7175       7.566265      121.6412       11.46275      137.8647       9.875818      109.8528 5.217321 117.1105 4.216454 -7.257629      6.708123 
1 1 1 13 27 3  o 77.63667 3.782537 60.79933       5.874482      62.57755       8.473083      59.01403       8.140111      78.77104 5.378298 76.50229 5.320175 2.268753       7.565074 
1 1 1 13 27 4  o 57.01906 4.642642 32.94301       5.297094      34.01986       7.707955      31.85908       7.268716      57.94491 6.651106 56.09321 6.479141 1.851700       9.285283 
1 1 1 13 27 5  o 71.73523 3.894123 52.32625       5.546469      61.30233       8.033843      43.35017       7.651280      77.97541 5.151524 65.49506 5.841112 12.48035       7.788247 
1 1 1 13 27 6  o 43.97728 5.895236 21.28189       5.037800      32.32666       7.438744      10.24421       6.799012      56.45235 6.588516 31.50220 9.777867 24.95015       11.79047 
1 1 1 13 27 7  f 36.21927 7.059300 14.00609       5.280091      14.17612       7.311223      13.84315       7.622942      36.40804 9.816123 36.03050 10.14784 0.3775368      14.11860 
1 1 1 13 27 8  o 39.09972 6.933822 16.40066       5.430283      17.86007       7.530843      14.94833       7.821308      40.84527 9.406733 37.35418 10.18945 3.491085       13.86764 
1 1 1 13 27 9  o 132.2829 3.882191 176.8296       10.31506      181.9304       16.91783      171.7287       11.80281      133.9743 6.313833 130.5915 4.518978 3.382782       7.764383 
1 1 1 13 27 10 o 117.2062 3.943670 139.2816       9.202788      155.0092       13.02134      123.5540       13.00009      123.9146 5.254161 110.4978 5.882509 13.41673       7.887339 
1 1 1 13 27 11 o 225.5128 3.256239 512.7066       14.67204      502.5049       21.31731      522.9082       20.17671      223.2010 4.775362 227.8245 4.428125 -4.623505      6.512478 
1 1 1 13 27 12 f 81.71237 4.312498 68.23100       7.112856      79.48829       11.15103      56.95952       8.827310      88.46480 6.302525 74.95995 5.888017 13.50485       8.624996 
1 1 1 13 27 13 o 55.31914 6.337291 32.01493       6.802555      31.16479       10.68345      32.86508       8.416408      53.92010 10.27600 56.71817 7.419498 -2.798077      12.67458 
1 1 1 13 27 14 o 43.00288 7.055926 17.97342       7.318307      1.035048       11.51943      34.91250       9.032760      27.66699 11.79878 58.33878 7.741644 -30.67179      14.11185 
1 1 1 13 27 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 27 16 o 43.65379 7.318272 20.83557       6.988877      8.324308       9.627860      33.34683       10.13795      30.84948 11.55935 56.45809 8.978292 -25.60861      14.63654 
1 1 1 13 27 17 o 60.40097 5.547960 39.62371       6.162114      55.15297       8.969000      24.09444       8.451830      73.52591 6.099210 47.27604 9.269254 26.24987       11.09592 
1 1 1 13 27 18 o 87.38235 4.524120 78.70899       7.644195      92.73634       9.521592      64.67457       11.95867      95.62479 4.978621 79.13992 7.555395 16.48487       9.048241 
1 1 1 13 27 19 o 54.17564 5.764411 31.14354       6.070724      26.12770       8.345562      36.16647       8.820225      49.25818 8.787348 59.09309 7.462992 -9.834908      11.52882 
1 1 1 13 27 20 o 59.92023 5.833201 38.70980       6.549637      28.03344       9.394071      49.37909       9.124859      50.62153 9.625990 69.21894 6.591302 -18.59741      11.66640 
1 1 1 13 27 21 o 90.40195 4.058738 83.88069       7.332476      82.53463       10.82514      85.15590       9.889987      89.57174 6.042723 91.23215 5.420231 -1.660416      8.117476 
1 1 1 13 27 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 27 23 o 29.79473 6.755044 3.732832       6.317265      -11.17937      9.741212      18.64645       8.048012      19.04453 9.107228 40.54493 9.979022 -21.50039      13.51009 
1 1 1 13 27 24 o 24.66088 7.206571 3.307053       5.885109      -0.6568056     7.396237      7.268716       9.160281      20.79691 9.162827 28.52484 11.12570 -7.727928      14.41314 
1 1 1 13 27 25 o 86.83032 5.075554 80.62181       8.423491      91.60282       9.054014      69.61247       14.19737      94.29249 4.801026 79.36815 8.944000 14.92434       10.15111 
1 1 1 13 27 26 o 72.34497 5.827109 57.83092       8.458915      54.37368       8.501422      61.28108       14.62953      71.83553 5.917282 72.85442 10.04025 -1.018883      11.65422 
1 1 1 13 27 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 27 28 o 40.27206 8.285806 25.02252       7.729208      10.28672       7.948828      39.76540       13.26222      28.40058 10.53056 52.14355 12.79553 -23.74297      16.57161 
1 1 1 13 27 29 f 25.45003 7.086634 7.374983       5.328974      5.847561       7.190785      8.898154       7.863815      23.96856 9.684134 26.93150 10.34887 -2.962936      14.17327 
1 1 1 13 27 30 o 21.54958 6.097054 3.907820       4.191200      0.3521714      5.936118      7.459997       5.919114      18.28380 8.112166 24.81536 9.104342 -6.531561      12.19411 
1 1 1 13 27 31 o 29.55156 6.646855 12.05785       4.429949      12.05077       6.542552      12.05785       5.974374      29.33130 9.643072 29.77181 9.150621 -0.4405098     13.29371 
1 1 1 13 27 32 o 22.06470 6.321200 5.984292       4.348477      6.104729       6.493669      5.863147       5.785926      22.27188 9.128598 21.85752 8.746369 0.4143658      12.64240 
1 1 1 13 28 0  o 157.0303 3.978090 247.7456       12.47583      247.7456       12.47583      247.7456       12.47583      157.0303 3.978090 157.0303 3.978090 0.000000       0.000000 
1 1 1 13 28 1  o 76.27299 3.874555 58.85817       5.902820      54.91918       8.274716      62.79008       8.423491      73.70030 5.613760 78.84567 5.341759 -5.145370      7.749109 
1 1 1 13 28 2  o 155.2537 2.807223 242.3614       8.713958      242.9281       12.41208      241.7946       12.24205      155.4304 3.992809 155.0771 3.947084 0.3532867      5.614445 
1 1 1 13 28 3  o 42.39510 6.513088 19.19904       5.374315      17.06660       7.658363      21.33148       7.545012      39.89730 9.682025 44.89289 8.714336 -4.995590      13.02618 
1 1 1 13 28 4  o 101.5878 3.250613 104.0716       6.595686      95.71184       9.195704      112.5022       9.457831      97.46603 4.717389 105.7096 4.473496 -8.243576      6.501225 
1 1 1 13 28 5  o 25.67001 6.826705 3.749127       5.176658      -2.031132      7.247461      9.528677       7.396237      20.39260 9.016296 30.94741 10.25290 -10.55482      13.65341 
1 1 1 13 28 6  o 162.1622 2.946690 264.6068       9.557014      264.6776       12.85840      264.4650       14.14070      162.2419 3.962726 162.0825 4.362192 0.1593781      5.893379 
1 1 1 13 28 7  o 80.37582 5.076463 67.81301       7.715039      44.58995       11.14395      91.03606       10.66220      65.89867 8.455366 94.85298 5.620382 -28.95432      10.15293 
1 1 1 13 28 8  f 118.8100 3.358559 143.1073       8.005506      123.6957       10.47800      162.4480       12.10036      110.7316 4.731259 126.8884 4.768109 -16.15678      6.717118 
1 1 1 13 28 9  o 32.96566 6.951969 10.32923       5.668323      19.56744       8.239295      1.088182       7.785885      42.62477 9.854367 23.30656 9.808717 19.31821       13.90394 
1 1 1 13 28 10 o 24.49773 7.117563 1.878106       5.721456      5.112897       8.097604      -1.357394      8.083434      26.97576 10.47298 22.01971 9.641341 4.956041       14.23513 
1 1 1 13 28 11 o 52.24031 6.594597 28.84107       6.664406      32.49669       8.997337      25.18546       9.833311      56.25976 7.996246 48.22086 10.48880 8.038898       13.18919 
1 1 1 13 28 12 o 60.97694 6.004867 38.49727       7.311223      40.38176       10.28672      36.61987       10.40007      62.53091 8.225308 59.42297 8.750886 3.107941       12.00973 
1 1 1 13 28 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 28 14 o 134.5643 3.843430 184.5517       10.38590      202.9714       15.81973      166.1319       13.46767      141.2287 5.600748 127.8999 5.264926 13.32883       7.686861 
1 1 1 13 28 15 o 51.43229 7.215878 28.96859       7.339560      37.34958       11.21479      20.58052       9.479085      59.70008 9.392611 43.16449 10.95694 16.53559       14.43176 
1 1 1 13 28 16 o 27.85566 7.866100 5.089518       6.626858      5.827016       10.27963      4.351311       8.366816      29.35892 11.68938 26.35240 10.52903 3.006525       15.73220 
1 1 1 13 28 17 o 38.49970 7.838152 16.08185       6.597104      12.57502       10.21588      19.58869       8.352647      34.85792 12.03979 42.14148 10.03942 -7.283562      15.67630 
1 1 1 13 28 18 o 55.71028 6.020046 32.75881       6.757213      37.28582       10.52051      28.23889       8.487252      59.46926 8.845334 51.95131 8.168468 7.517948       12.04009 
1 1 1 13 28 19 o 64.28052 5.321061 43.13763       6.858521      45.67389       10.32923      40.59429       9.025676      66.07019 7.816859 62.49085 7.221598 3.579338       10.64212 
1 1 1 13 28 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 28 21 o 130.3904 3.222665 173.7124       8.423491      162.3063       11.10852      185.1893       12.67420      126.1817 4.401797 134.5992 4.708128 -8.417465      6.445331 
1 1 1 13 28 22 o 62.62697 5.365100 41.57903       6.718957      41.04770       8.345562      42.11745       10.53468      62.63129 6.662455 62.62265 8.411236 0.8632660E-02  10.73020 
1 1 1 13 28 23 o 22.15934 7.162023 -4.040300      7.098687      -2.626939      10.44258      -5.453662      9.620775      23.30489 10.52811 21.01379 9.712738 2.291101       14.32405 
1 1 1 13 28 24 o 32.85661 8.395316 12.44750       7.190785      9.967916       10.47092      14.92708       9.847479      30.74523 11.91485 34.96800 11.83054 -4.222773      16.79063 
1 1 1 13 28 25 o 20.78826 6.807089 -4.988917      6.722499      -2.203994      10.16628      -7.771716      8.798972      22.85702 10.35350 18.71951 8.840296 4.137516       13.61418 
1 1 1 13 28 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 28 27 o 73.57043 4.383135 58.87943       6.472415      50.49136       8.416408      67.27458       9.833311      68.33759 6.157963 78.80328 6.239150 -10.46569      8.766271 
1 1 1 13 28 28 o 38.99734 7.264827 20.33257       5.836226      15.54343       6.978959      25.12170       9.358648      34.72187 9.687298 43.27282 10.82899 -8.550941      14.52965 
1 1 1 13 28 29 o 31.63018 7.168034 13.54560       5.453662      16.33690       6.783425      10.75430       8.543928      35.18119 9.441606 28.07916 10.78791 7.102030       14.33607 
1 1 1 13 28 30 o 20.66349 6.329180 3.146235       4.956328      -2.629773      5.729958      8.919409       8.090520      15.73682 7.358470 25.59015 10.29985 -9.853326      12.65836 
1 1 1 13 28 31 o 44.47124 6.319385 26.97076       5.459329      22.57836       8.274716      31.37024       7.127024      38.18013 10.50991 50.76235 7.019992 -12.58222      12.63877 
1 1 1 13 29 0  o 30.26671 13.11253 13.42516       8.133026      13.42516       8.133026      13.42516       8.133026      30.26671 13.11253 30.26671 13.11253 0.000000       0.000000 
1 1 1 13 29 1  o 97.14548 3.559874 95.57014       6.905280      85.08506       9.493254      106.1261       10.03168      91.75739 5.173018 102.5336 4.891900 -10.77616      7.119748 
1 1 1 13 29 2  o 124.9532 3.132115 157.5597       7.821308      144.9492       10.82514      170.2410       11.29272      119.9134 4.513735 129.9930 4.343589 -10.07963      6.264229 
1 1 1 13 29 3  o 26.16225 7.076338 4.574473       5.333934      7.771716       7.396237      1.375813       7.686701      28.93202 10.21971 23.39247 9.790597 5.539555       14.15268 
1 1 1 13 29 4  o 27.84429 7.300344 6.116773       5.545760      2.968413       7.828392      9.266549       7.856731      24.83462 10.07537 30.85397 10.56726 -6.019352      14.60069 
1 1 1 13 29 5  o 40.98866 7.001094 18.15053       5.745543      22.44375       8.069265      13.85732       8.182618      45.89765 9.114362 36.07968 10.62966 9.817966       14.00219 
1 1 1 13 29 6  o 61.37349 5.270039 38.50436       6.468873      37.67547       9.167366      39.33324       9.124859      60.69506 7.551988 62.05192 7.352600 -1.356865      10.54008 
1 1 1 13 29 7  o 33.93022 8.042717 11.47692       6.528384      14.74288       9.401155      8.210957       9.061099      37.23785 11.48555 30.62258 11.26158 6.615274       16.08543 
1 1 1 13 29 8  o 120.2813 3.906988 146.6495       9.394071      145.2326       13.99901      148.1373       12.52543      119.5853 5.853146 120.9773 5.176766 -1.392006      7.813976 
1 1 1 13 29 9  o 95.25941 10.65362 0.000000       0.000000      ?              ?             96.06606       20.29714      ?        ?        95.25941 10.65362 ?              ?        
1 1 1 13 29 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 29 11 f 100.0900 4.173478 102.1587       8.352647      103.0089       11.71779      101.3086       11.90907      100.5307 5.827966 99.64936 5.975490 0.8813629      8.346955 
1 1 1 13 29 12 o 21.65317 6.815455 -4.233708      6.206038      2.268463       9.103605      -10.73304      8.437660      25.60330 10.68137 17.70305 8.468178 7.900251       13.63091 
1 1 1 13 29 13 o 25.66052 7.172771 2.500126       5.935409      9.514507       8.713958      -4.512838      8.062181      31.35049 11.09089 19.97054 9.098722 11.37995       14.34554 
1 1 1 13 29 14 o 35.56164 7.581620 13.60227       5.953120      16.83282       8.295970      10.37173       8.543928      39.08352 10.41982 32.03976 11.01595 7.043755       15.16324 
1 1 1 13 29 15 o 27.19359 7.528625 5.430283       5.954537      5.588267       8.154280      5.272298       8.678535      27.07804 10.51021 27.30914 10.78222 -0.2310944     15.05725 
1 1 1 13 29 16 o 64.32861 5.241194 43.05970       6.672907      47.29624       8.855647      38.81607       9.982086      67.76839 6.533760 60.88882 8.196977 6.879566       10.48239 
1 1 1 13 29 17 o 35.94126 7.647533 14.49492       6.176991      8.444746       7.715039      20.53802       9.649114      29.32088 10.42949 42.56164 11.18771 -13.24076      15.29507 
1 1 1 13 29 18 f 81.01280 5.018740 68.64189       8.111773      73.67899       11.37065      63.61897       11.56193      84.14732 6.756396 77.87828 7.423079 6.269035       10.03748 
1 1 1 13 29 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 29 20 o 55.30941 7.631408 34.90542       8.168448      26.65904       12.03660      43.15180       11.04476      47.24193 12.53106 63.37689 8.713557 -16.13496      15.26282 
1 1 1 13 29 21 f 42.48445 8.613218 21.78489       7.814223      18.56852       11.54068      25.00835       10.54885      39.18225 12.80730 45.78665 11.52056 -6.604397      17.22644 
1 1 1 13 29 22 o 43.72988 8.142206 23.17346       7.339560      23.47809       11.75322      22.86882       8.784801      43.23656 12.73989 44.22319 10.14285 -0.9866257     16.28441 
1 1 1 13 29 23 o 25.77562 7.257648 1.732873       6.592144      -8.551013      9.854564      12.01534       8.763549      19.61337 9.306082 31.93787 11.13960 -12.32450      14.51530 
1 1 1 13 29 24 o 42.69223 7.715481 22.86882       6.618357      21.83448       9.096521      23.90316       9.613690      41.78498 10.80686 43.59949 11.01482 -1.814507      15.43096 
1 1 1 13 29 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 29 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 29 27 o 24.23650 7.101942 4.858562       5.881567      10.87473       9.075267      -1.157610      7.488335      29.07014 11.13284 19.40286 8.821004 9.667276       14.20388 
1 1 1 13 29 28 f 26.46444 7.238724 8.133026       5.899987      3.504711       9.011506      12.75922       7.615856      22.81851 10.07588 30.11037 10.39583 -7.291861      14.47745 
1 1 1 13 29 29 o 19.05635 6.258568 -2.662362      5.986417      -8.636027      8.678535      3.311303       8.246379      16.61653 8.096032 21.49617 9.546359 -4.879635      12.51714 
1 1 1 13 29 30 o 16.28052 5.522166 -5.044177      5.100144      -12.46875      6.364731      2.376856       7.970083      12.49838 6.235839 20.06266 9.115459 -7.564274      11.04433 
1 1 1 13 30 0  f 53.06594 11.49862 32.51085       10.69054      32.51085       10.69054      32.51085       10.69054      53.06594 11.49862 53.06594 11.49862 0.000000       0.000000 
1 1 1 13 30 1  o 34.08182 8.383902 11.16520       7.183701      15.64262       10.23713      6.693452       10.08835      38.15629 12.02921 30.00735 11.68149 8.148947       16.76780 
1 1 1 13 30 2  o 48.33390 8.062411 25.85140       7.693786      29.37949       10.90307      22.32332       10.86765      51.81517 10.86859 44.85262 11.91149 6.962555       16.12482 
1 1 1 13 30 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 30 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 30 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 30 6  o 59.93428 11.37105 41.31691       15.23171      54.75624       17.54835      27.88466       24.89499      69.79814 13.05461 50.07043 18.62204 19.72771       22.74210 
1 1 1 13 30 7  o 57.44968 6.707840 35.18171       7.523758      38.38392       10.80389      31.97243       10.47800      60.61211 8.912319 54.28725 10.02751 6.324867       13.41568 
1 1 1 13 30 8  o 151.5030 3.338266 232.3722       10.10961      226.1378       14.33198      238.6066       14.26822      149.4414 4.795185 153.5646 4.645673 -4.123245      6.676531 
1 1 1 13 30 9  o 64.99996 5.451780 43.64771       7.080976      46.21231       10.09544      41.09020       9.932493      66.95294 7.539205 63.04698 7.877058 3.905964       10.90356 
1 1 1 13 30 10 o 102.4497 3.777893 106.6928       7.729208      101.4503       10.97392      111.9354       10.89599      99.88528 5.493261 105.0141 5.187871 -5.128792      7.555787 
1 1 1 13 30 11 o 42.15144 6.948513 19.37616       6.116773      27.84216       8.728126      10.91724       8.572267      51.68641 8.443348 32.61647 11.03799 19.06993       13.89703 
1 1 1 13 30 12 o 62.44830 5.160760 40.67222       6.370398      48.44393       9.146112      32.90050       8.869816      68.63912 6.662463 56.25748 7.883233 12.38164       10.32152 
1 1 1 13 30 13 o 41.49123 7.171305 19.23446       6.066473      12.71671       8.487252      25.75222       8.671450      34.31302 10.96735 48.66945 9.242709 -14.35643      14.34261 
1 1 1 13 30 14 o 41.23297 7.105895 18.93692       5.818514      17.10911       7.962997      20.75764       8.487252      39.21478 10.09519 43.25117 10.00310 -4.036392      14.21179 
1 1 1 13 30 15 o 79.81346 4.502726 65.73016       7.169532      67.43044       9.394071      64.02278       10.83223      81.05894 5.794593 78.56798 6.893538 2.490959       9.005452 
1 1 1 13 30 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 30 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 30 18 o 32.81653 8.048618 10.97392       6.752253      15.50093       8.997337      6.442660       10.07418      36.75728 11.21575 28.87577 11.54677 7.881512       16.09724 
1 1 1 13 30 19 o 35.09157 7.659351 14.07694       6.074266      17.29331       8.218040      10.86057       8.947746      38.54110 10.41422 31.64203 11.23417 6.899071       15.31870 
1 1 1 13 30 20 o 27.96603 7.452078 6.983918       5.978625      1.321263       7.899237      12.64586       8.976085      22.67878 9.724054 33.25329 11.29498 -10.57451      14.90416 
1 1 1 13 30 21 o 30.57337 7.461218 9.599521       6.371107      -1.149109      8.012589      20.34674       9.904156      20.88320 9.336145 40.26354 11.64111 -19.38034      14.92244 
1 1 1 13 30 22 o 56.89298 6.066085 35.78390       6.886859      36.09562       8.947746      35.47218       10.47092      57.63423 7.762527 56.15173 9.323771 1.482502       12.13217 
1 1 1 13 30 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 30 24 o 50.51902 7.642558 34.84874       8.055097      52.46794       13.09927      17.22955       9.386987      65.41152 10.01297 35.62653 11.54882 29.78500       15.28512 
1 1 1 13 30 25 o 31.15211 8.248256 13.62353       7.022174      17.09494       10.26547      10.15920       9.585353      34.01731 12.03747 28.28691 11.27981 5.730396       16.49651 
1 1 1 13 30 26 o 24.72868 7.418667 5.476333       6.493669      8.834394       9.309056      2.116146       9.054014      27.00814 10.97638 22.44923 9.983267 4.558908       14.83733 
1 1 1 13 30 27 o 24.82644 6.981537 3.773214       6.279717      -8.444746      8.926493      15.98976       8.834394      17.22744 8.343007 32.42543 11.19650 -15.19799      13.96307 
1 1 1 13 30 28 o 17.70674 5.886771 -1.957452      5.240418      -5.830558      6.230834      1.915654       8.430575      14.74389 7.106472 20.66959 9.386925 -5.925703      11.77354 
1 1 1 13 30 29 o 20.46472 6.323657 4.275506       4.940743      3.355936       7.176617      5.195077       6.793344      19.90981 8.870059 21.01962 9.015353 -1.109812      12.64731 
1 1 1 13 31 0  o 69.99947 7.052325 51.11480       9.691620      51.11480       9.691620      51.11480       9.691620      69.99947 7.052325 69.99947 7.052325 0.000000       0.000000 
1 1 1 13 31 1  o 26.04304 7.244541 2.075055       6.158571      -5.742710      8.791886      9.889987       8.621859      20.40336 9.372624 31.68272 11.04932 -11.27935      14.48908 
1 1 1 13 31 2  o 61.97836 5.598702 40.25423       6.822391      49.71915       9.861650      30.78931       9.429493      69.56831 7.087745 54.38839 8.668663 15.17992       11.19740 
1 1 1 13 31 3  o 63.83582 5.581941 42.93218       6.913073      54.91918       9.847479      30.94518       9.705790      73.20996 6.725505 54.46169 8.910659 18.74828       11.16388 
1 1 1 13 31 4  o 22.52075 7.009579 -1.572055      6.132358      -1.084640      8.430575      -2.060178      8.905238      22.50169 9.849328 22.53981 9.976349 -0.3812027E-01 14.01916 
1 1 1 13 31 5  o 24.87921 7.324476 1.284423       6.240752      5.555679       8.671450      -2.986833      8.976085      27.67554 10.81856 22.08287 9.876772 5.592665       14.64895 
1 1 1 13 31 6  f 23.64944 7.440124 -2.265629      7.091603      0.4233708E-01  11.22896      -4.573764      8.671450      26.50504 11.48300 20.79383 9.463748 5.711214       14.88025 
1 1 1 13 31 7  o 24.85843 7.397535 1.135648       6.423533      6.164948       9.833311      -3.892942      8.267632      29.16393 11.48898 20.55292 9.321874 8.611015       14.79507 
1 1 1 13 31 8  o 21.46094 6.679739 -7.289969      6.367565      4.393818       8.621859      -18.97234      9.372816      26.56552 10.65744 16.35636 8.055722 10.20916       13.35948 
1 1 1 13 31 9  o 31.83236 6.971041 8.600604       5.961622      -2.544050      8.395153      19.73747       8.465999      21.43886 9.571233 42.22585 10.13771 -20.78699      13.94208 
1 1 1 13 31 10 o 42.05145 7.361680 19.74455       6.189034      16.74072       8.636027      22.75547       8.869816      38.74631 10.76510 45.35659 10.04440 -6.610287      14.72336 
1 1 1 13 31 11 o 56.31991 5.728527 33.23347       6.449036      34.11904       8.990252      32.34082       9.245295      57.14658 7.865960 55.49323 8.330111 1.653347       11.45705 
1 1 1 13 31 12 o 33.31696 8.262955 11.35648       6.881900      13.75105       9.564099      8.954830       9.897071      35.46141 11.65907 31.17252 11.71203 4.288889       16.52591 
1 1 1 13 31 13 o 43.32655 7.982563 21.58652       6.994544      20.38924       9.734127      22.79089       10.04585      42.11684 11.31347 44.53625 11.26458 -2.419415      15.96513 
1 1 1 13 31 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 31 15 o 29.07981 7.727820 7.637110       6.254921      11.54776       9.146112      3.729290       8.536844      32.70844 11.38285 25.45119 10.45503 7.257246       15.45564 
1 1 1 13 31 16 o 25.94139 7.316307 4.570931       5.839059      1.149109       7.977167      7.991336       8.522675      22.89207 9.792245 28.99071 10.87315 -6.098642      14.63261 
1 1 1 13 31 17 o 23.74933 7.096949 1.826389       5.897153      4.188367       7.934660      -0.5352353     8.721042      24.97748 10.13958 22.52119 9.932558 2.456287       14.19390 
1 1 1 13 31 18 o 67.87987 4.736448 48.74148       6.395903      53.79982       8.969000      43.67605       9.117774      71.63897 6.259861 64.12077 7.109844 7.518196       9.472896 
1 1 1 13 31 19 o 21.02931 6.503944 -4.155778      5.895027      5.605979       7.913406      -13.91399      8.742295      25.65517 10.24312 16.40345 8.017714 9.251713       13.00789 
1 1 1 13 31 20 o 27.49286 7.308539 5.581183       6.190452      -3.962371      8.196787      15.12545       9.280719      19.67024 9.041734 35.31548 11.48504 -15.64524      14.61708 
1 1 1 13 31 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 31 22 o 32.46898 8.552907 14.32489       11.07310      27.58711       10.62678      1.060552       19.43283      40.30211 12.16763 24.63585 12.02322 15.66626       17.10581 
1 1 1 13 31 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 31 24 o 43.09023 8.415042 26.42525       7.552096      22.84048       9.330310      30.01002       11.87365      40.93575 11.11248 45.24472 12.63980 -4.308979      16.83008 
1 1 1 13 31 25 o 26.78078 7.298321 1.040007       8.791886      13.22680       6.701954      -11.14395      16.25188      31.27928 9.707654 22.28229 10.90062 8.996984       14.59664 
1 1 1 13 31 26 o 29.25613 7.861763 13.85023       6.583642      10.21588       6.745878      17.48459       11.30689      27.01915 9.738222 31.49310 12.34489 -4.473959      15.72353 
1 1 1 13 31 27 o 23.68499 6.777530 7.012964       5.213497      11.18645       7.360813      2.836641       7.389152      27.06363 10.11386 20.30635 9.024935 6.757284       13.55506 
1 1 1 13 32 0  o 95.81227 5.581409 93.65733       10.61969      93.65733       10.61969      93.65733       10.61969      95.81227 5.581409 95.81227 5.581409 -0.000000      0.000000 
1 1 1 13 32 1  o 59.90126 5.639399 37.65421       6.670074      31.00894       9.429493      44.29949       9.436578      54.35532 8.673939 65.44720 7.209305 -11.09189      11.27880 
1 1 1 13 32 2  o 49.73834 6.787772 26.99201       6.504296      26.29773       9.294888      27.68630       9.096521      48.99395 9.832160 50.48273 9.360771 -1.488785      13.57554 
1 1 1 13 32 3  o 26.61917 6.520493 -1.570638      6.009797      -19.66662      8.338477      16.52110       8.657280      14.70090 7.306934 38.53744 10.80167 -23.83654      13.04099 
1 1 1 13 32 4  o 23.04850 7.016289 -0.9833311     6.098353      3.955995       8.579351      -5.922657      8.671450      26.08324 10.56167 20.01376 9.239285 6.069483       14.03258 
1 1 1 13 32 5  o 32.36360 7.818213 10.76847       6.142985      7.970083       8.451830      13.56685       8.919409      29.44568 10.87048 35.28152 11.23969 -5.835844      15.63643 
1 1 1 13 32 6  o 20.95595 6.679890 -3.963080      6.026091      -7.679617      8.515590      -0.2465412     8.529759      18.93898 8.880252 22.97291 9.981225 -4.033932      13.35978 
1 1 1 13 32 7  o 52.95464 6.336112 30.07378       6.585768      31.56861       9.549930      28.57895       9.068183      54.67308 8.733667 51.23621 9.181954 3.436878       12.67222 
1 1 1 13 32 8  o 65.82265 7.210383 49.01070       8.501422      68.62064       11.31397      29.40075       12.70254      81.34209 6.954564 50.30320 12.63299 31.03889       14.42077 
1 1 1 13 32 9  o 50.98317 8.165037 29.94626       8.196787      34.52994       12.66003      25.36257       10.42133      54.81721 11.88201 47.14912 11.20220 7.668098       16.33007 
1 1 1 13 32 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 32 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 32 12 o 42.29534 7.390238 20.53093       6.235084      22.64212       8.813140      18.41975       8.820225      44.63552 10.10593 39.95515 10.78576 4.680374       14.78048 
1 1 1 13 32 13 o 25.07281 6.811565 0.8473083E-01  5.941785      -13.06385      7.885069      13.23388       8.891070      15.78493 7.695546 34.36069 11.24136 -18.57576      13.62313 
1 1 1 13 32 14 o 51.69384 6.300873 30.37841       6.094810      41.71364       8.536844      19.04318       8.699788      62.98397 6.776997 40.40371 10.62433 22.58027       12.60175 
1 1 1 13 32 15 f 53.80022 6.013029 32.70213       6.163530      21.04102       8.055097      44.36325       9.330310      42.91713 9.623345 64.68330 7.212302 -21.76616      12.02606 
1 1 1 13 32 16 o 45.19132 7.089659 23.84649       6.267673      27.02035       8.388069      20.66554       9.316141      48.92216 8.901993 41.46048 11.03665 7.461674       14.17932 
1 1 1 13 32 17 o 39.55007 7.272750 19.31240       6.399445      8.140111       8.402238      30.47760       9.649114      28.14565 10.73144 50.95449 9.818748 -22.80884      14.54550 
1 1 1 13 32 18 o 29.75869 8.083187 9.025676       6.779883      10.35048       9.521592      7.707955       9.649114      30.83033 11.50662 28.68704 11.35558 2.143286       16.16637 
1 1 1 13 32 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 32 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 32 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 32 22 o 17.40152 5.810410 -5.467831      5.298511      -10.21588      6.903154      -0.7183701     8.040927      14.58427 7.127623 20.21877 9.178258 -5.634493      11.62082 
1 1 1 13 32 23 o 37.11869 7.084486 18.54018       5.436659      20.38924       7.403321      16.68404       7.962997      39.62940 9.458527 34.60798 10.54970 5.021427       14.16897 
1 1 1 13 32 24 o 17.75071 5.865061 -3.817138      5.293552      0.8820225      7.445828      -8.515590      7.523758      19.87028 8.937849 15.63114 7.596751 4.239133       11.73012 
1 1 1 13 32 25 o 32.62457 6.987987 15.58594       5.214205      19.65954       7.079559      11.51943       7.658363      37.59515 9.424865 27.65400 10.31987 9.941158       13.97597 
1 1 1 13 32 26 o 17.59887 5.789562 -3.841226      5.443035      3.457953       6.801846      -11.14395      8.501422      19.96219 8.791464 15.23555 7.535666 4.726639       11.57912 
1 1 1 13 33 0  o 26.27017 13.34342 10.95975       8.678535      10.95975       8.678535      10.95975       8.678535      26.27017 13.34342 26.27017 13.34342 -0.000000      0.000000 
1 1 1 13 33 1  o 49.49220 6.852417 27.27539       6.626149      19.51076       9.082352      35.04711       9.656199      41.43572 10.83684 57.54868 8.389592 -16.11295      13.70483 
1 1 1 13 33 2  o 40.38185 7.755265 18.58269       6.500045      21.96909       9.195704      15.18921       9.188620      44.04964 10.55927 36.71406 11.36126 7.335579       15.51053 
1 1 1 13 33 3  o 24.01486 7.382558 0.2099851      6.610563      1.018045       9.918325      -0.5982875     8.742295      25.18548 10.85001 22.84424 10.01428 2.341238       14.76512 
1 1 1 13 33 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 33 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 33 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 33 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 33 8  o 21.13317 6.692957 -5.056929      6.225874      3.210704       8.997337      -13.32598      8.607689      25.52399 10.63168 16.74235 8.133265 8.781645       13.38591 
1 1 1 13 33 9  o 45.17513 7.158237 23.10261       6.537593      30.31465       9.259464      15.88349       9.231127      53.16354 8.708473 37.18671 11.36327 15.97683       14.31647 
1 1 1 13 33 10 o 20.91581 6.685734 -3.143400      6.025383      -2.015545      8.324308      -4.271256      8.713958      21.26845 9.511997 20.56318 9.397769 0.7052670      13.37147 
1 1 1 13 33 11 o 54.97813 5.877834 32.67379       6.441952      35.57845       9.131943      29.76206       9.089437      57.61292 7.925256 52.34335 8.682513 5.269573       11.75567 
1 1 1 13 33 12 o 25.74330 7.408140 4.500794       6.005546      4.565971       8.182618      4.436325       8.791886      25.51487 10.32155 25.97173 10.62957 -0.4568653     14.81628 
1 1 1 13 33 13 o 43.97793 7.377990 22.80506       6.410071      20.13420       8.664365      25.46884       9.450747      41.31982 10.46761 46.63604 10.40039 -5.316223      14.75598 
1 1 1 13 33 14 o 48.57420 7.509511 28.35224       7.098687      26.29065       10.03168      30.42092       10.04585      46.48497 10.95658 50.66343 10.27250 -4.178459      15.01902 
1 1 1 13 33 15 o 25.32693 7.760754 2.503669       7.304138      -1.154068      9.089437      6.161405       11.43441      22.13796 9.919204 28.51591 11.93845 -6.377956      15.52151 
1 1 1 13 33 16 o 27.25792 8.180239 4.619813       7.856731      4.835184       9.443663      4.403736       12.55377      26.27012 10.91415 28.24572 12.18797 -1.975599      16.36048 
1 1 1 13 33 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 33 18 o 31.83878 9.528591 21.93367       12.70963      20.92058       11.63278      22.93967       22.59961      33.46121 12.66528 30.21635 14.23962 3.244862       19.05718 
1 1 1 13 33 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 33 20 o 28.19348 7.445826 9.953747       5.776716      6.174158       7.743378      13.73688       8.572267      24.65187 10.01351 31.73509 11.02229 -7.083220      14.89165 
1 1 1 13 33 21 o 42.43810 6.685385 23.52060       5.608104      17.00993       7.417490      30.02419       8.416408      35.67675 9.997873 49.19946 8.878064 -13.52271      13.37077 
1 1 1 13 33 22 o 18.55045 6.057171 -1.956744      5.324723      0.8175533E-01  7.318307      -3.995668      7.736294      19.37588 8.780115 17.72503 8.346667 1.650854       12.11434 
1 1 1 13 33 23 o 26.81917 6.991174 10.22296       5.008754      11.39899       6.757921      9.046929       7.396237      28.11649 9.784542 25.52185 9.988432 2.594633       13.98235 
1 1 1 13 33 24 o 32.79382 7.118733 16.49984       5.129191      15.11836       6.712580      17.87424       7.757547      31.87803 9.679789 33.70961 10.44065 -1.831579      14.23747 
1 1 1 13 34 0  o 43.55717 15.77275 27.09119       12.57502      27.09119       12.57502      27.09119       12.57502      43.55717 15.77275 43.55717 15.77275 0.000000       0.000000 
1 1 1 13 34 1  o 60.37056 7.597354 40.94851       8.954830      41.62862       12.05785      40.26131       13.24805      61.74095 9.764872 59.00016 11.64158 2.740788       15.19471 
1 1 1 13 34 2  o 56.87842 7.336260 37.68963       7.870899      54.55079       10.92433      20.83557       11.33523      71.86154 7.600955 41.89529 12.55023 29.96625       14.67252 
1 1 1 13 34 3  o 45.42838 7.963261 24.00943       7.240376      25.52552       9.528677      22.50043       10.91016      47.29633 10.35726 43.56042 12.09881 3.735909       15.92652 
1 1 1 13 34 4  o 46.36259 7.062938 25.06503       6.760755      38.09346       9.889987      12.03660       9.216957      59.63047 8.292729 33.09472 11.43552 26.53574       14.12588 
1 1 1 13 34 5  o 38.26881 8.004630 17.17996       6.612689      20.09878       9.464915      14.26113       9.238212      41.33104 11.18009 35.20658 11.45870 6.124462       16.00926 
1 1 1 13 34 6  o 48.79849 7.485408 27.84924       7.148279      33.02094       10.92433      22.67754       9.231127      53.48970 10.58823 44.10727 10.58370 9.382431       14.97082 
1 1 1 13 34 7  o 42.49077 8.161163 21.65029       7.148279      18.56852       9.613690      24.72497       10.58427      39.50434 11.48456 45.47719 11.59842 -5.972847      16.32233 
1 1 1 13 34 8  o 22.35846 7.000738 -1.440991      6.304513      -4.923739      8.841478      2.042466       8.990252      20.27836 9.349236 24.43856 10.42272 -4.160200      14.00148 
1 1 1 13 34 9  o 71.37101 5.164632 54.66414       7.275800      64.04404       10.29380      45.28424       10.29380      77.94224 6.603483 64.79978 7.942778 13.14246       10.32926 
1 1 1 13 34 10 o 36.77201 7.751634 16.20938       6.589310      8.196787       8.947746      24.22197       9.677451      28.71443 11.03767 44.82960 10.88674 -16.11517      15.50327 
1 1 1 13 34 11 o 24.65943 7.628376 -0.7771716     7.658363      5.886526       9.734127      -7.438744      11.81698      27.16673 11.16268 22.15213 10.40015 5.014593       15.25675 
1 1 1 13 34 12 o 42.08903 8.434805 23.06011       8.295970      8.104689       10.15920      38.00844       13.11344      29.14111 11.61503 55.03695 12.23417 -25.89584      16.86961 
1 1 1 13 34 13 o 39.75206 8.292394 17.78214       8.529759      31.81657       11.08019      3.748418       12.97884      51.22879 11.12609 28.27534 12.29899 22.95345       16.58479 
1 1 1 13 34 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 34 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 34 16 o 42.67107 7.598220 23.64104       6.494378      22.03993       8.749379      25.23505       9.599521      41.37017 10.54185 43.97197 10.94537 -2.601795      15.19644 
1 1 1 13 34 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 34 18 o 39.95079 7.394091 21.08352       5.990668      20.99851       8.062181      21.17562       8.862731      40.28153 10.03313 39.62005 10.86401 0.6614838      14.78818 
1 1 1 13 34 19 o 38.28083 7.397610 20.07044       5.841185      20.60886       7.962997      19.53202       8.543928      39.23342 10.09237 37.32825 10.81862 1.905174       14.79522 
1 1 1 13 34 20 o 19.80320 6.300956 0.5471373      5.265214      -2.881982      6.822391      3.975831       8.019674      17.21056 8.040498 22.39585 9.703535 -5.185284      12.60191 
1 1 1 13 34 21 o 25.36702 6.881174 7.955913       5.313388      12.94341       7.183701      2.973372       7.835476      29.64349 10.10453 21.09055 9.343481 8.552940       13.76235 
1 1 1 13 34 22 o 24.24012 6.889219 8.154280       5.119981      7.807138       6.831601      8.508506       7.630026      23.93217 9.529155 24.54806 9.951912 -0.6158867     13.77844 
1 1 1 13 35 0  o 12.61508 8.992264 -9.557014      9.096521      -9.557014      9.096521      -9.557014      9.096521      12.61508 8.992264 12.61508 8.992264 -0.000000      0.000000 
1 1 1 13 35 1  o 36.54275 7.631092 14.72871       7.374983      31.29940       11.52651      -1.840558      9.195704      50.93936 11.57409 22.14614 9.948600 28.79322       15.26218 
1 1 1 13 35 2  o 64.86169 6.266058 46.45318       8.083434      43.81774       11.92324      49.08863       10.93141      62.54100 9.532341 67.18237 8.135626 -4.641361      12.53212 
1 1 1 13 35 3  o 29.86928 8.549332 7.955913       7.955913      6.799012       10.43549      9.110690       12.00826      28.60979 11.62346 31.12877 12.54032 -2.518978      17.09866 
1 1 1 13 35 4  o 31.12270 8.583279 10.04585       7.736294      12.10744       11.40607      7.977167       10.44966      32.89141 12.51435 29.35399 11.75082 3.537416       17.16656 
1 1 1 13 35 5  o 38.86245 8.425394 18.78814       7.452912      13.18429       10.74013      24.38491       10.34340      33.43435 12.26406 44.29055 11.55603 -10.85620      16.85079 
1 1 1 13 35 6  o 27.83694 8.315364 4.692785       8.303054      7.004463       9.379901      2.381107       13.70146      27.76068 11.12473 27.91320 12.36210 -0.1525211     16.63073 
1 1 1 13 35 7  o 43.69788 8.744722 24.32115       8.437660      30.57678       10.86765      18.05844       12.90091      49.98400 11.15687 37.41177 13.46867 12.57224       17.48944 
1 1 1 13 35 8  o 29.15274 8.192483 4.147277       8.210957      15.00501       10.63386      -6.709038      12.50417      35.08960 12.26780 23.21589 10.86131 11.87371       16.38497 
1 1 1 13 35 9  o 19.58761 6.701670 -14.08402      8.062181      -11.51943      10.32214      -16.64153      12.39082      19.20395 9.229298 19.97127 9.719546 -0.7673244     13.40334 
1 1 1 13 35 10 o 46.36382 6.839510 26.94242       8.295970      -2.257128      11.57610      56.15189       11.89491      23.14163 10.68017 69.58600 8.546910 -46.44437      13.67902 
1 1 1 13 35 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 35 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 35 13 o 44.74387 7.438382 26.14896       6.698411      17.98759       9.011506      34.31032       9.918325      36.66459 11.23210 52.82316 9.754899 -16.15857      14.87676 
1 1 1 13 35 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 35 15 o 23.74800 6.943467 3.062637       5.936118      10.54885       8.225125      -4.421447      8.558097      28.61464 10.69163 18.88137 8.862052 9.733269       13.88693 
1 1 1 13 35 16 f 22.22838 6.818118 2.812554       5.614480      1.880940       7.757547      3.743459       8.118857      21.46039 9.420353 22.99636 9.859201 -1.535975      13.63624 
1 1 1 13 35 17 o 27.33115 7.197255 9.089437       5.698786      14.88457       7.920490      3.286508       8.196787      32.40313 10.61006 22.25916 9.727717 10.14397       14.39451 
1 1 1 13 35 18 o 26.51186 6.315034 5.690993       5.349519      18.90149       7.523758      -7.516674      7.608772      36.94683 9.956153 16.07689 7.771335 20.86994       12.63007 
1 1 1 13 35 19 o 21.65031 6.434379 2.809720       5.245378      9.627860       7.190785      -4.007003      7.637110      26.06774 9.931045 17.23287 8.184087 8.834873       12.86876 
1 1 1 13 35 20 f 24.59190 6.996038 8.614774       5.278674      8.225125       7.212039      8.997337       7.707955      24.26894 9.742612 24.91486 10.04289 -0.6459179     13.99208 
1 1 1 13 35 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 36 0  o 28.14384 14.60218 13.82898       10.52051      13.82898       10.52051      13.82898       10.52051      28.14384 14.60218 28.14384 14.60218 0.000000       0.000000 
1 1 1 13 36 1  o 27.84208 8.178520 6.108980       7.545012      4.050219       10.49926      8.168448       10.83223      26.37486 11.25649 29.30931 11.86778 -2.934450      16.35704 
1 1 1 13 36 2  o 38.11312 9.127928 18.92983       8.643111      22.52877       10.94558      15.33090       13.38265      41.41633 12.31763 34.80991 13.47413 6.606415       18.25586 
1 1 1 13 36 3  f 26.40922 8.534276 1.227747       10.05293      -2.209661      11.83114      4.665155       16.26605      23.60542 10.85574 29.21302 13.17150 -5.607595      17.06855 
1 1 1 13 36 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 36 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 36 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 36 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 36 8  o 19.56382 9.652846 -12.31998      13.73688      -12.31998      13.73688      ?              ?             19.56382 9.652846 ?        ?        ?              ?        
1 1 1 13 36 9  o 44.08843 8.637305 26.99910       8.033843      31.97243       11.24313      22.03285       11.47692      48.99938 11.63149 39.17747 12.77187 9.821907       17.27461 
1 1 1 13 36 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 36 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 36 12 o 25.20137 7.338600 4.855020       6.432034      10.07418       8.239295      -0.3665530     9.882903      28.28924 10.67331 22.11351 10.07475 6.175735       14.67720 
1 1 1 13 36 13 o 23.52041 7.029616 4.062263       5.835517      7.467082       8.118857      0.6552470      8.380984      25.81113 10.34725 21.22970 9.518212 4.581429       14.05923 
1 1 1 13 36 14 o 30.61729 7.594976 13.29056       5.805762      10.43549       7.785885      16.15270       8.614774      27.89665 10.40643 33.33794 11.06530 -5.441284      15.18995 
1 1 1 13 36 15 o 22.84924 6.687850 3.785258       5.424615      9.734127       7.417490      -2.165029      7.920490      26.92461 10.13469 18.77387 8.729115 8.150738       13.37570 
1 1 1 13 36 16 o 47.90360 6.186055 29.53536       5.779550      30.81057       7.927575      28.26014       8.409323      50.02637 7.923397 45.78084 9.502048 4.245525       12.37211 
1 1 1 13 36 17 o 16.11547 5.486217 -5.954537      5.239709      -5.020089      7.063973      -6.888985      7.743378      16.10615 7.714826 16.12479 7.802294 -0.1864624E-01 10.97243 
1 1 1 13 36 18 o 18.99314 6.095037 1.323388       5.045594      0.2887649      6.915198      2.358436       7.346645      18.23170 8.348715 19.75459 8.882389 -1.522882      12.19007 
1 1 1 13 37 0  o 24.79548 15.09923 10.96683       13.75813      10.96683       13.75813      10.96683       13.75813      24.79548 15.09923 24.79548 15.09923 0.000000       0.000000 
1 1 1 13 37 1  o 23.91784 7.827222 -6.280425      9.408240      -18.06552      13.90691      5.503253       12.68129      20.29553 9.972328 27.54015 12.06708 -7.244621      15.65444 
1 1 1 13 37 2  o 28.66931 8.399674 8.876901       8.125941      17.10203       13.14886      0.6524841      9.542846      34.57329 13.36142 22.76533 10.18286 11.80796       16.79935 
1 1 1 13 37 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 37 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 37 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 13 37 6  o 22.13248 6.974910 1.589766       6.260589      0.8210956      8.869816      2.358436       8.834394      21.69874 9.758014 22.56623 9.968885 -0.8674812     13.94982 
1 1 1 13 37 7  o 33.47174 6.796861 13.04968       6.198245      27.31790       8.806056      -1.216412      8.721042      46.32269 9.805714 20.62080 9.414737 25.70189       13.59372 
1 1 1 13 37 8  o 15.98157 5.517055 -11.20062      5.781674      -12.26330      8.104689      -10.13086      8.246379      15.55774 7.634243 16.40540 7.966802 -0.8476553     11.03411 
1 1 1 13 37 9  o 16.66995 5.683500 -8.742295      5.699495      -12.40499      7.977167      -5.083141      8.140111      15.25950 7.515481 18.08039 8.527966 -2.820890      11.36700 
1 1 1 13 37 10 o 21.27886 6.745674 0.6232250      6.083476      5.702329       9.075267      -4.455453      8.104689      24.44862 10.45084 18.10911 8.532076 6.339512       13.49135 
1 1 1 13 37 11 o 15.67194 5.432079 -13.24096      5.885109      -21.57944      8.458915      -4.896110      8.182618      13.45663 6.786495 17.88725 8.483715 -4.430621      10.86416 
1 1 1 13 37 12 o 23.47960 7.073221 5.370065       5.910613      8.097604       8.501422      2.641108       8.210957      25.42337 10.43673 21.53582 9.549687 3.887550       14.14644 
1 1 1 13 37 13 o 17.67755 6.000786 -6.320807      6.213122      -10.31506      8.600604      -2.325847      8.969000      16.09082 7.885712 19.26428 9.047281 -3.173460      12.00157 
1 1 1 13 37 14 o 16.86178 5.776705 -7.112856      5.996336      -9.493254      8.253463      -4.731750      8.699788      15.83114 7.750163 17.89243 8.568329 -2.061286      11.55341 
1 1 1 13 37 15 o 24.91791 7.169106 8.976085       5.744836      10.36465       7.452912      7.587519       8.742295      26.04715 10.06083 23.78868 10.21588 2.258474       14.33821 
1 1 1 13 37 16 o 28.04538 7.332883 13.48892       5.558513      14.61536       7.297054      12.36248       8.388069      29.58459 10.17962 26.50617 10.55747 3.078413       14.66577 
1 1 1 13 38 0  o 15.41147 10.28910 0.3965205      8.331393      0.3965205      8.331393      0.3965205      8.331393      15.41147 10.28910 15.41147 10.28910 0.000000       0.000000 
1 1 1 13 38 1  o 29.66514 7.395769 11.09435       6.113939      3.146943       8.664365      19.04318       8.628942      22.66235 9.951801 36.66793 10.94309 -14.00559      14.79154 
1 1 1 13 38 2  o 25.37642 7.483664 7.119940       6.350562      4.557470       8.338477      9.684536       9.585353      23.31012 9.992620 27.44273 11.14309 -4.132607      14.96733 
1 1 1 13 38 3  o 23.28919 7.308590 2.719038       6.957705      8.756464       10.40007      -3.321930      9.245295      26.87043 11.32383 19.70795 9.242983 7.162477       14.61718 
1 1 1 13 38 4  o 18.71528 6.436600 -8.650196      7.523758      -7.693786      12.25622      -9.599521      8.735210      20.60623 9.940628 16.82433 8.179437 3.781897       12.87320 
1 1 1 13 38 5  o 34.63615 8.682320 19.17779       8.196787      29.59203       12.09327      8.770633       11.05893      42.47232 13.01179 26.79998 11.49887 15.67233       17.36464 
1 1 1 13 38 6  o 19.53567 6.493402 -4.504336      6.675741      -9.868733      9.819141      0.8572266      9.046929      17.76652 8.648314 21.30482 9.688332 -3.538298      12.98680 
1 1 1 13 38 7  o 17.73253 6.052324 -6.920866      6.356938      -4.395943      9.790804      -9.443663      8.111773      19.45763 9.252886 16.00744 7.804269 3.450188       12.10465 
1 1 1 13 38 8  o 19.88011 6.442488 -2.049551      6.199661      -8.012589      9.571183      3.914904       7.885069      17.83093 8.635925 21.92929 9.562605 -4.098351      12.88498 
1 1 1 13 38 9  o 31.77087 7.469399 15.43716       5.834808      20.94184       8.437660      9.925409       8.055097      37.24240 10.73734 26.29934 10.38640 10.94306       14.93880 
1 1 1 13 38 10 o 23.54550 6.858367 6.395194       5.443035      10.84640       7.757547      1.941866       7.637110      26.93987 10.29991 20.15114 9.058731 6.788729       13.71673 
1 1 1 13 38 11 o 26.62525 7.025189 10.27255       5.294969      14.36740       7.332476      6.181951       7.644195      30.49918 10.20861 22.75132 9.653877 7.747860       14.05038 
1 1 1 13 38 12 o 25.67463 6.797240 8.876901       5.423198      17.64754       7.870899      0.1129272      7.459997      32.84919 10.56788 18.50008 8.551597 14.34911       13.59448 
1 1 1 13 39 0  f 14.08238 9.614808 -0.8451830     7.998421      -0.8451830     7.998421      -0.8451830     7.998421      14.08238 9.614808 14.08238 9.614808 0.000000       0.000000 
1 1 1 13 39 1  o 32.24379 7.654318 16.46442       5.862438      18.69604       8.508506      14.22571       8.062181      34.36875 10.98066 30.11883 10.66675 4.249920       15.30864 
1 1 1 13 39 2  o 23.24723 6.903466 6.199661       5.533009      9.195704       7.842561      3.202202       7.807138      25.45681 10.18444 21.03765 9.322475 4.419157       13.80693 
1 1 1 13 39 3  o 30.93881 7.546447 15.10419       5.684617      15.59302       7.934660      14.61536       8.147196      31.54635 10.61955 30.33127 10.72477 1.215075       15.09289 
1 1 1 13 39 4  o 20.18335 6.392133 1.373688       5.493335      6.748003       7.998421      -4.001336      7.530843      23.38939 9.897287 16.97730 8.092043 6.412085       12.78427 
1 1 1 13 39 5  o 17.52217 5.841077 -3.822098      5.425323      -10.03876      7.452912      2.395276       7.885069      14.67019 7.225919 20.37414 9.179261 -5.703951      11.68215 
1 1 1 13 39 6  o 23.91518 6.972162 7.474166       5.627941      2.648901       7.792970      12.30581       8.118857      20.30165 9.137196 27.52870 10.53356 -7.227051      13.94432 
1 1 1 13 39 7  o 20.16112 6.423059 2.770755       5.487668      -1.042133      7.141194      6.584351       8.331393      17.61324 8.227689 22.70899 9.865489 -5.095747      12.84612 
1 1 1 13 39 8  o 18.13812 6.074481 -5.650611      6.555304      3.513921       7.920490      -14.81373      10.44966      20.33155 9.177793 15.94468 7.960238 4.386865       12.14896 
1 1 1 14 0  0  o 423.1991 9.284117 1794.508       78.49645      1794.508       78.49645      1794.508       78.49645      423.1991 9.284117 423.1991 9.284117 -0.000000      0.000000 
1 1 1 14 0  1  o 478.7788 7.300227 2295.384       69.86752      2295.384       69.86752      2295.384       69.86752      478.7788 7.300227 478.7788 7.300227 -0.000000      0.000000 
1 1 1 14 0  2  o 25.48229 10.67942 9.181536       5.431700      9.181536       5.431700      9.181536       5.431700      25.48229 10.67942 25.48229 10.67942 0.000000       0.000000 
1 1 1 14 0  3  o 309.5424 5.119534 959.2438       31.67488      959.2438       31.67488      959.2438       31.67488      309.5424 5.119534 309.5424 5.119534 -0.000000      0.000000 
1 1 1 14 0  4  o 266.3302 3.812272 709.8687       20.29714      709.8687       20.29714      709.8687       20.29714      266.3302 3.812272 266.3302 3.812272 0.000000       0.000000 
1 1 1 14 0  5  o 22.90489 9.374681 7.346645       4.213163      7.346645       4.213163      7.346645       4.213163      22.90489 9.374681 22.90489 9.374681 0.000000       0.000000 
1 1 1 14 0  6  o 117.5334 3.042460 138.4315       7.141194      138.4315       7.141194      138.4315       7.141194      117.5334 3.042460 117.5334 3.042460 0.000000       0.000000 
1 1 1 14 0  7  o 37.85678 6.524065 15.40883       4.538342      15.40883       4.538342      15.40883       4.538342      37.85678 6.524065 37.85678 6.524065 -0.000000      0.000000 
1 1 1 14 0  8  o 692.1293 8.380782 4796.218       115.9736      4796.218       115.9736      4796.218       115.9736      692.1293 8.380782 692.1293 8.380782 0.000000       0.000000 
1 1 1 14 0  9  o 17.84709 9.486235 4.624773       4.522757      4.624773       4.522757      4.624773       4.522757      17.84709 9.486235 17.84709 9.486235 -0.000000      0.000000 
1 1 1 14 0  10 o 606.1735 9.038763 3680.407       109.5266      3680.407       109.5266      3680.407       109.5266      606.1735 9.038763 606.1735 9.038763 0.000000       0.000000 
1 1 1 14 0  11 o 241.8794 4.379051 585.7479       21.16854      585.7479       21.16854      585.7479       21.16854      241.8794 4.379051 241.8794 4.379051 0.000000       0.000000 
1 1 1 14 0  12 o 238.4711 4.370364 569.3827       20.82848      569.3827       20.82848      569.3827       20.82848      238.4711 4.370364 238.4711 4.370364 0.000000       0.000000 
1 1 1 14 0  13 o 345.9085 5.599688 1197.992       38.71689      1197.992       38.71689      1197.992       38.71689      345.9085 5.599688 345.9085 5.599688 -0.000000      0.000000 
1 1 1 14 0  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 0  15 o 55.14927 7.333374 32.02202       7.863815      32.02202       7.863815      32.02202       7.863815      55.14927 7.333374 55.14927 7.333374 0.000000       0.000000 
1 1 1 14 0  16 o 44.84961 10.58581 23.19471       8.239295      23.19471       8.239295      23.19471       8.239295      44.84961 10.58581 44.84961 10.58581 -0.000000      0.000000 
1 1 1 14 0  17 o 151.8905 4.197898 231.3095       12.73088      231.3095       12.73088      231.3095       12.73088      151.8905 4.197898 151.8905 4.197898 0.000000       0.000000 
1 1 1 14 0  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 0  19 o 230.4308 3.657602 531.5514       16.84698      531.5514       16.84698      531.5514       16.84698      230.4308 3.657602 230.4308 3.657602 0.000000       0.000000 
1 1 1 14 0  20 o 136.9775 3.368927 188.0231       9.216957      188.0231       9.216957      188.0231       9.216957      136.9775 3.368927 136.9775 3.368927 0.000000       0.000000 
1 1 1 14 0  21 o 220.4414 3.604812 486.5647       15.88349      486.5647       15.88349      486.5647       15.88349      220.4414 3.604812 220.4414 3.604812 -0.000000      0.000000 
1 1 1 14 0  22 f 148.6641 3.332392 221.4620       9.897071      221.4620       9.897071      221.4620       9.897071      148.6641 3.332392 148.6641 3.332392 0.000000       0.000000 
1 1 1 14 0  23 o 22.97356 10.38769 7.700871       5.099436      7.700871       5.099436      7.700871       5.099436      22.97356 10.38769 22.97356 10.38769 -0.000000      0.000000 
1 1 1 14 0  24 o 85.92039 3.782715 74.31659       6.473125      74.31659       6.473125      74.31659       6.473125      85.92039 3.782715 85.92039 3.782715 0.000000       0.000000 
1 1 1 14 0  25 o 153.4314 4.104428 236.1978       12.57502      236.1978       12.57502      236.1978       12.57502      153.4314 4.104428 153.4314 4.104428 -0.000000      0.000000 
1 1 1 14 0  26 o 119.7566 3.303597 143.8866       7.899237      143.8866       7.899237      143.8866       7.899237      119.7566 3.303597 119.7566 3.303597 0.000000       0.000000 
1 1 1 14 0  27 o 116.6234 3.350223 136.5187       7.800055      136.5187       7.800055      136.5187       7.800055      116.6234 3.350223 116.6234 3.350223 0.000000       0.000000 
1 1 1 14 0  28 o 54.45117 4.993603 30.47760       5.352353      30.47760       5.352353      30.47760       5.352353      54.45117 4.993603 54.45117 4.993603 -0.000000      0.000000 
1 1 1 14 0  29 o 215.7102 3.593587 466.5863       15.49384      466.5863       15.49384      466.5863       15.49384      215.7102 3.593587 215.7102 3.593587 -0.000000      0.000000 
1 1 1 14 0  30 o 263.4392 3.951142 696.1247       20.80723      696.1247       20.80723      696.1247       20.80723      263.4392 3.951142 263.4392 3.951142 -0.000000      0.000000 
1 1 1 14 0  31 o 244.9268 3.836120 601.8298       18.78106      601.8298       18.78106      601.8298       18.78106      244.9268 3.836120 244.9268 3.836120 -0.000000      0.000000 
1 1 1 14 0  32 o 78.20144 5.742009 62.52795       8.883986      62.52795       8.883986      62.52795       8.883986      78.20144 5.742009 78.20144 5.742009 -0.000000      0.000000 
1 1 1 14 0  33 o 12.14670 8.762074 -13.41099      9.486169      -13.41099      9.486169      -13.41099      9.486169      12.14670 8.762074 12.14670 8.762074 0.000000       0.000000 
1 1 1 14 0  34 o 33.98340 10.68488 14.77830       6.358355      14.77830       6.358355      14.77830       6.358355      33.98340 10.68488 33.98340 10.68488 0.000000       0.000000 
1 1 1 14 0  35 o 98.04955 4.090547 97.12873       7.991336      97.12873       7.991336      97.12873       7.991336      98.04955 4.090547 98.04955 4.090547 0.000000       0.000000 
1 1 1 14 0  36 f 57.84568 5.596025 34.76373       6.362606      34.76373       6.362606      34.76373       6.362606      57.84568 5.596025 57.84568 5.596025 0.000000       0.000000 
1 1 1 14 0  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 0  38 o 68.07172 5.118605 47.78507       6.890402      47.78507       6.890402      47.78507       6.890402      68.07172 5.118605 68.07172 5.118605 -0.000000      0.000000 
1 1 1 14 0  39 o 104.8417 4.115484 111.7937       8.600604      111.7937       8.600604      111.7937       8.600604      104.8417 4.115484 104.8417 4.115484 0.000000       0.000000 
1 1 1 14 0  40 o 21.24748 11.45184 7.686701       6.664406      7.686701       6.664406      7.686701       6.664406      21.24748 11.45184 21.24748 11.45184 -0.000000      0.000000 
1 1 1 14 0  41 o 12.28390 8.265543 -1.123605      5.597477      -1.123605      5.597477      -1.123605      5.597477      12.28390 8.265543 12.28390 8.265543 -0.000000      0.000000 
1 1 1 14 0  42 o 66.68822 4.803938 46.54528       6.340643      46.54528       6.340643      46.54528       6.340643      66.68822 4.803938 66.68822 4.803938 -0.000000      0.000000 
1 1 1 14 0  43 o 61.42132 5.400167 40.58720       6.536176      40.58720       6.536176      40.58720       6.536176      61.42132 5.400167 61.42132 5.400167 -0.000000      0.000000 
1 1 1 14 0  44 o 49.85572 4.601394 26.76531       4.514963      26.76531       4.514963      26.76531       4.514963      49.85572 4.601394 49.85572 4.601394 -0.000000      0.000000 
1 1 1 14 1  0  o 382.6286 6.030110 1465.787       46.12021      1465.787       46.12021      1465.787       46.12021      382.6286 6.030110 382.6286 6.030110 0.000000       0.000000 
1 1 1 14 1  1  o 689.9071 7.222755 4772.131       99.67917      4853.604       143.3198      4690.659       138.5732      695.7822 10.29918 684.0320 10.12914 11.75024       14.44551 
1 1 1 14 1  2  o 504.1672 5.405216 2545.467       54.51536      2573.805       77.85885      2517.129       76.30025      506.9705 7.678834 501.3640 7.609268 5.606537       10.81043 
1 1 1 14 1  3  o 528.4938 5.139932 2796.968       54.19656      2721.872       82.10956      2872.063       70.78851      521.3417 7.874832 535.6459 6.607771 -14.30414      10.27986 
1 1 1 14 1  4  o 215.9939 2.649148 466.7280       11.43441      461.6272       17.54835      471.7580       14.65787      214.8153 4.084520 217.1725 3.374707 -2.357132      5.298297 
1 1 1 14 1  5  o 453.5021 4.491399 2058.761       40.75723      2066.554       63.31433      2050.260       51.32733      454.3602 6.967416 452.6439 5.669725 1.716339       8.982799 
1 1 1 14 1  6  o 227.4718 2.727484 517.6657       12.44041      530.0636       19.51785      505.2678       15.43008      230.1889 4.239528 224.7547 3.432650 5.434296       5.454968 
1 1 1 14 1  7  o 947.7252 8.957753 9011.507       169.9576      9103.605       265.4569      8919.408       212.3230      952.2426 13.93851 943.2079 11.25537 9.034668       17.91551 
1 1 1 14 1  8  o 247.3997 2.852174 612.4565       14.07694      594.1785       21.34565      630.6638       18.35599      243.7061 4.379384 251.0932 3.655214 -7.387009      5.704349 
1 1 1 14 1  9  o 158.7849 2.400501 252.2088       7.637110      255.6094       11.82406      248.8083       9.656199      159.8512 3.698458 157.7186 3.061212 2.132675       4.801001 
1 1 1 14 1  10 o 358.9893 3.693141 1290.091       26.46067      1258.210       40.24006      1321.263       34.36700      354.5807 5.674315 363.3979 4.728563 -8.817169      7.386282 
1 1 1 14 1  11 o 512.8173 5.008848 2632.607       51.31316      2608.520       78.92152      2656.694       65.64514      510.4202 7.731035 515.2144 6.370663 -4.794189      10.01770 
1 1 1 14 1  12 o 616.5156 5.927168 3807.220       73.04137      3773.214       112.2896      3841.225       93.37395      613.6656 9.149087 619.3656 7.537870 -5.699951      11.85434 
1 1 1 14 1  13 o 320.3892 3.435993 1027.255       21.98326      1045.675       28.37349      1008.835       33.58061      323.2815 4.388357 317.4969 5.288336 5.784576       6.871985 
1 1 1 14 1  14 o 281.6961 3.580246 794.1744       20.16962      777.1716       28.22472      811.1773       28.82690      278.6803 5.063997 284.7120 5.062468 -6.031708      7.160492 
1 1 1 14 1  15 o 286.8468 3.065198 823.2209       17.56252      829.5971       20.55927      816.8449       28.47976      287.9800 3.569566 285.7136 4.983971 2.266418       6.130397 
1 1 1 14 1  16 o 129.8711 2.768531 168.7532       7.169532      174.4208       9.195704      163.1564       10.99517      132.0446 3.482043 127.6975 4.305164 4.347160       5.537063 
1 1 1 14 1  17 o 136.6043 2.996970 186.8896       8.203872      196.4537       12.24205      177.2546       10.92433      140.1128 4.368641 133.0958 4.103934 7.016983       5.993939 
1 1 1 14 1  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 1  19 o 399.2625 3.662106 1596.142       29.24489      1582.681       41.09729      1609.602       41.61446      397.5799 5.168431 400.9450 5.189548 -3.365082      7.324213 
1 1 1 14 1  20 f 282.5688 3.038015 799.8421       17.27914      828.8886       28.58603      770.0871       19.41158      287.7209 4.967667 277.4167 3.498632 10.30417       6.076030 
1 1 1 14 1  21 o 321.7035 3.136525 1036.465       20.18379      1045.675       28.77023      1027.255       28.30973      323.1311 4.451788 320.2759 4.419586 2.855255       6.273050 
1 1 1 14 1  22 o 492.5972 4.390180 2435.657       43.25098      2454.077       61.62113      2417.238       60.71431      494.4532 6.231241 490.7412 6.185981 3.711975       8.780360 
1 1 1 14 1  23 o 101.4421 2.468007 103.0089       5.007337      101.8045       7.021466      104.2841       7.141194      100.8322 3.481758 102.0521 3.498799 -1.219910      4.936014 
1 1 1 14 1  24 o 169.1761 2.345087 286.6396       7.934660      279.6967       11.02351      293.5824       11.42024      167.1282 3.297920 171.2239 3.334885 -4.095703      4.690174 
1 1 1 14 1  25 o 282.4708 2.875160 799.8421       16.24480      785.6730       22.69880      814.0111       23.24430      279.9707 4.053781 284.9709 4.078364 -5.000275      5.750321 
1 1 1 14 1  26 o 131.1061 2.338399 172.2955       6.132358      176.4045       8.784801      168.1156       8.558097      132.6832 3.310443 129.5290 3.303545 3.154205       4.676798 
1 1 1 14 1  27 o 40.63278 5.032884 17.61920       4.003461      24.33532       6.305930      10.90307       4.935075      49.10182 6.421278 32.16375 7.751572 16.93808       10.06577 
1 1 1 14 1  28 o 102.8879 2.252349 106.1969       4.652403      100.4585       5.948870      111.9354       7.155363      100.1224 2.970800 105.6534 3.386244 -5.531029      4.504697 
1 1 1 14 1  29 f 121.3351 2.411005 147.7830       5.851812      150.9002       8.465999      144.5950       8.083434      122.6245 3.452002 120.0456 3.366818 2.578873       4.822010 
1 1 1 14 1  30 o 82.73746 2.610273 69.00320       4.265588      77.78800       5.724998      60.24674       6.325057      88.05453 3.250826 77.42038 4.084878 10.63416       5.220546 
1 1 1 14 1  31 o 62.79693 3.100517 39.71581       3.907111      37.78173       5.005920      41.64988       6.001295      61.29394 4.083536 64.29993 4.666642 -3.005989      6.201034 
1 1 1 14 1  32 o 110.2999 2.416194 122.2788       5.348103      117.0362       6.827350      127.5213       8.232210      107.9707 3.161668 112.6292 3.654564 -4.658455      4.832388 
1 1 1 14 1  33 o 149.7047 2.499335 225.4293       7.488335      224.2250       9.606606      226.7046       11.48400      149.3701 3.215705 150.0392 3.827002 -0.6690369     4.998670 
1 1 1 14 1  34 o 95.56179 2.770630 92.66550       5.351645      78.56730       6.550345      106.6928       8.465999      88.30672 3.708860 102.8169 4.117029 -14.51015      5.541261 
1 1 1 14 1  35 o 134.9010 2.417206 183.3473       6.503587      189.7942       8.586436      176.9004       9.769550      137.3525 3.125693 132.4494 3.688032 4.903137       4.834411 
1 1 1 14 1  36 o 60.90251 3.537948 37.77465       4.309512      37.64004       5.506795      37.90925       6.630400      60.89501 4.521549 60.91001 5.442784 -0.1499557E-01 7.075896 
1 1 1 14 1  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 1  38 o 48.85583 3.775310 24.63995       3.687491      25.52552       5.243960      23.76147       5.186575      49.74987 5.270325 47.96178 5.406988 1.788097       7.550619 
1 1 1 14 1  39 o 51.94319 3.630690 28.06178       3.769672      29.64162       5.386359      26.48193       5.274423      53.44255 5.039392 50.44384 5.228016 2.998711       7.261379 
1 1 1 14 1  40 o 36.15047 5.452653 16.07477       4.191909      26.07811       6.452579      6.074974       5.352353      48.66578 6.629483 23.63516 8.658850 25.03062       10.90531 
1 1 1 14 1  41 o 69.90536 2.891590 50.70389       4.042426      54.18948       5.857479      47.21832       5.572681      72.33513 4.048849 67.47559 4.129405 4.859535       5.783180 
1 1 1 14 1  42 o 68.20711 3.032967 48.90443       4.106895      46.63030       6.378191      51.17147       5.175949      66.18976 4.818110 70.22446 3.685289 -4.034698      6.065933 
1 1 1 14 1  43 o 105.7645 2.498415 117.1071       5.289301      119.3033       8.303054      114.9109       6.557429      106.2283 3.908118 105.3007 3.113668 0.9275894      4.996831 
1 1 1 14 1  44 f 17.77175 5.274084 2.703452       3.244709      1.729331       5.054096      3.677573       4.070764      17.21437 7.579800 18.32914 7.335563 -1.114777      10.54817 
1 1 1 14 2  0  o 269.5818 4.651968 727.5800       25.06503      727.5800       25.06503      727.5800       25.06503      269.5818 4.651968 269.5818 4.651968 0.000000       0.000000 
1 1 1 14 2  1  o 222.8300 2.947177 496.8372       13.13470      485.4312       18.27806      508.1725       18.87316      220.2800 4.148823 225.3799 4.186965 -5.099899      5.894354 
1 1 1 14 2  2  o 452.9761 4.914835 2054.510       44.54745      2002.793       61.47236      2106.227       64.47620      447.2797 6.871804 458.6725 7.028566 -11.39282      9.829671 
1 1 1 14 2  3  o 626.7522 6.597867 3936.158       82.67632      3875.231       115.1943      3997.085       118.7365      621.9104 9.261323 631.5940 9.399751 -9.683594      13.19573 
1 1 1 14 2  4  o 401.6578 4.061949 1614.562       32.68797      1641.483       51.14313      1587.641       40.72181      404.9767 6.314331 398.3389 5.111452 6.637787       8.123898 
1 1 1 14 2  5  o 953.2427 8.983801 9117.774       171.0203      8976.084       261.6313      9259.465       220.3285      945.5388 13.83504 960.9466 11.46414 -15.40784      17.96760 
1 1 1 14 2  6  o 230.5100 2.751115 531.5514       12.66003      522.3415       19.37616      540.7612       16.30856      228.5063 4.239742 232.5138 3.507010 -4.007431      5.502229 
1 1 1 14 2  7  o 382.5433 3.901047 1464.370       29.88250      1482.081       46.63738      1446.659       37.37791      384.8320 6.059447 380.2547 4.914853 4.577301       7.802094 
1 1 1 14 2  8  o 335.2009 3.521766 1124.313       23.71897      1168.946       37.62588      1080.389       28.88358      341.7810 5.504384 328.6207 4.394668 13.16031       7.043532 
1 1 1 14 2  9  f 372.0659 3.805494 1385.023       28.28139      1366.604       43.31474      1404.151       36.37900      369.5202 5.860944 374.6117 4.855562 -5.091492      7.610989 
1 1 1 14 2  10 o 240.5940 2.824096 579.0884       13.60936      586.8106       21.10478      571.3663       17.17996      242.1900 4.357070 238.9980 3.594164 3.192047       5.648192 
1 1 1 14 2  11 o 237.9978 2.838480 566.6198       13.51017      567.9658       17.06660      565.2737       20.94184      238.2886 3.581079 237.7070 4.404969 0.5816498      5.676960 
1 1 1 14 2  12 o 193.9809 2.466521 376.6130       9.642029      360.1060       10.76847      393.0490       15.99684      189.7461 2.837599 198.2156 4.035212 -8.469498      4.933042 
1 1 1 14 2  13 o 483.3083 4.530999 2338.599       43.74690      2350.643       50.88810      2326.556       71.19940      484.6451 5.250036 481.9716 7.386266 2.673553       9.061998 
1 1 1 14 2  14 o 199.3863 2.589356 397.8665       10.39299      383.0599       11.70362      412.6023       17.17287      195.6955 2.990264 203.0771 4.228165 -7.381607      5.178712 
1 1 1 14 2  15 o 374.1206 4.865291 1402.026       37.00952      1328.347       30.57678      1476.414       67.40210      364.3821 4.195703 383.8591 8.779537 -19.47699      9.730581 
1 1 1 14 2  16 o 320.6281 3.517769 1029.380       22.62795      998.9170       27.92008      1059.135       35.62095      315.9619 4.418267 325.2942 5.475191 -9.332245      7.035539 
1 1 1 14 2  17 o 275.5518 3.000825 759.4603       16.56360      753.0842       19.00776      766.5449       27.12662      274.3623 3.463989 276.7413 4.901080 -2.378998      6.001650 
1 1 1 14 2  18 o 313.7310 4.640100 986.8733       28.92608      1027.255       34.60787      945.7831       46.35400      320.3055 5.402323 307.1566 7.545661 13.14880       9.280199 
1 1 1 14 2  19 o 192.0280 2.674085 368.9617       10.26547      370.3786       13.27639      367.6156       15.66387      192.3983 3.450235 191.6577 4.086418 0.7405853      5.348171 
1 1 1 14 2  20 o 388.4318 3.783274 1511.128       29.32990      1492.000       47.44501      1530.256       34.49452      385.8794 6.147648 390.9841 4.411242 -5.104736      7.566547 
1 1 1 14 2  21 o 291.8455 2.530483 852.9760       14.77122      864.3112       21.18979      840.9323       20.58761      293.8440 3.605620 289.8470 3.551462 3.997009       5.060966 
1 1 1 14 2  22 o 201.8128 2.107366 407.7140       8.508506      415.7195       12.19954      399.6376       11.85948      203.8025 2.992981 199.8231 2.967495 3.979385       4.214731 
1 1 1 14 2  23 o 126.2795 2.011843 159.6142       5.081725      161.8812       7.325392      157.3471       7.046261      127.1749 2.880046 125.3840 2.809873 1.790924       4.023686 
1 1 1 14 2  24 o 213.9785 2.147941 458.5100       9.195704      444.2701       12.78047      472.7499       13.21971      210.6553 3.033503 217.3017 3.041787 -6.646408      4.295883 
1 1 1 14 2  25 o 137.5932 2.138770 189.5817       5.870940      183.5599       8.756464      195.6744       7.828392      135.3819 3.233986 139.8044 2.799765 -4.422531      4.277540 
1 1 1 14 2  26 o 319.2965 2.690301 1022.296       17.17996      1030.089       24.55494      1014.503       24.03777      320.5075 3.830633 318.0854 3.778509 2.422119       5.380602 
1 1 1 14 2  27 f 57.54811 2.839876 33.34683       3.252502      29.56369       4.602103      37.12996       4.597144      54.26107 4.240704 60.83516 3.778361 -6.574085      5.679752 
1 1 1 14 2  28 o 82.52095 2.285365 68.37268       3.766129      63.26474       5.280799      73.46645       5.371481      79.43210 3.324097 85.60980 3.137188 -6.177704      4.570730 
1 1 1 14 2  29 o 70.81711 2.526297 50.40635       3.579807      53.91318       5.224123      46.89242       4.895402      73.28683 3.564163 68.34739 3.581265 4.939438       5.052595 
1 1 1 14 2  30 o 145.2543 2.022345 211.6854       5.879441      223.1623       8.600604      200.2085       8.019674      149.1919 2.882397 141.3167 2.837483 7.875198       4.044691 
1 1 1 14 2  31 o 88.89194 2.297202 79.34660       4.082807      77.36294       5.793718      81.25941       5.754045      87.79500 3.299572 89.98888 3.197087 -2.193878      4.594403 
1 1 1 14 2  32 o 180.8982 2.134640 328.5800       7.729208      343.3157       11.31397      313.8441       10.53468      184.9480 3.058691 176.8483 2.978450 8.099655       4.269280 
1 1 1 14 2  33 o 238.0674 2.460397 570.1620       11.71779      571.2955       16.65570      569.0285       16.47859      238.2978 3.494724 237.8369 3.464262 0.4608765      4.920794 
1 1 1 14 2  34 o 27.03509 5.878511 7.474166       3.624439      10.53468       5.248919      4.407987       4.999545      31.31241 8.261051 22.75777 8.365560 8.554642       11.75702 
1 1 1 14 2  35 o 73.59475 2.808558 54.98294       4.102644      46.92785       5.776716      63.04512       5.826308      68.12279 4.239929 79.06671 3.684425 -10.94392      5.617116 
1 1 1 14 2  36 o 70.90449 2.879764 50.91643       4.084224      53.21889       5.876608      48.62104       5.672574      72.51019 4.052263 69.29878 4.092838 3.211411       5.759528 
1 1 1 14 2  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 2  38 o 165.1072 2.217827 275.7294       7.332476      284.1600       10.78972      267.2989       9.925409      167.5830 3.219217 162.6315 3.051504 4.951523       4.435655 
1 1 1 14 2  39 o 18.10474 5.327695 0.6070724      3.372939      -2.271297      4.946410      3.485583       4.586517      15.72416 7.154074 20.48533 7.896619 -4.761169      10.65539 
1 1 1 14 2  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 2  41 o 46.38205 8.909943 30.29340       8.685618      30.37841       10.39299      30.20838       13.91399      48.37425 10.98958 44.38986 14.02774 3.984390       17.81989 
1 1 1 14 2  42 o 23.26103 5.040221 5.693827       3.049176      11.20771       4.439159      0.1793091      4.181283      30.70698 7.321180 15.81508 6.929332 14.89190       10.08044 
1 1 1 14 2  43 o 56.52526 3.056948 34.28907       3.464329      37.49835       5.184450      31.08686       4.595727      59.11962 4.384712 53.93090 4.260755 5.188713       6.113896 
1 1 1 14 2  44 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 3  0  o 179.5796 3.832564 322.9832       13.75105      322.9832       13.75105      322.9832       13.75105      179.5796 3.832564 179.5796 3.832564 0.000000       0.000000 
1 1 1 14 3  1  o 177.9445 2.688562 316.7488       9.571183      318.2365       13.51726      315.2610       13.54560      178.3626 3.789264 177.5264 3.815094 0.8362122      5.377125 
1 1 1 14 3  2  o 654.6718 6.875040 4295.343       90.04422      4366.188       129.2924      4224.498       125.3251      660.0609 9.793980 649.2827 9.651045 10.77820       13.75008 
1 1 1 14 3  3  o 218.0089 2.925561 475.5128       12.75922      465.1694       17.66170      485.8563       18.41975      215.6384 4.095212 220.3795 4.179098 -4.741058      5.851121 
1 1 1 14 3  4  o 268.1611 3.294859 719.0786       17.66879      719.7870       24.97293      719.0786       25.00835      268.2272 4.655181 268.0950 4.664083 0.1322632      6.589718 
1 1 1 14 3  5  o 575.9495 6.103006 3323.347       70.32801      3423.948       102.3004      3222.039       96.56198      584.6884 8.748287 567.2106 8.512004 17.47772       12.20601 
1 1 1 14 3  6  o 65.19289 3.099544 42.55670       4.054470      45.24882       6.136609      39.87167       5.299220      67.25305 4.562328 63.13274 4.196887 4.120312       6.199088 
1 1 1 14 3  7  o 401.0570 4.055202 1609.602       32.53210      1614.562       50.41343      1604.643       41.14688      401.6470 6.275838 400.4670 5.137362 1.179993       8.110403 
1 1 1 14 3  8  o 744.8868 6.748461 5560.638       100.6710      5510.338       114.9109      5610.938       165.3526      741.7908 7.745504 747.9829 11.05324 -6.192139      13.49692 
1 1 1 14 3  9  f 324.1904 3.282254 1052.051       21.36691      1026.547       24.05194      1076.847       35.33049      320.3428 3.754093 328.0379 5.385123 -7.695099      6.564508 
1 1 1 14 3  10 o 215.1044 2.566269 462.8315       11.03768      464.0359       12.75922      461.6272       18.00884      215.3945 2.961825 214.8143 4.191724 0.5801849      5.132539 
1 1 1 14 3  11 o 378.5967 3.702355 1433.906       28.10428      1414.070       31.84491      1454.452       46.31149      375.9697 4.235036 381.2236 6.074059 -5.253906      7.404709 
1 1 1 14 3  12 o 409.1638 3.935099 1675.488       32.22747      1668.404       37.07328      1682.573       52.71590      408.3531 4.539365 409.9745 6.429167 -1.621429      7.870199 
1 1 1 14 3  13 o 243.6389 2.767177 593.8951       13.47475      596.4456       15.63553      591.2739       21.94784      244.1868 3.201551 243.0909 4.514327 1.095886       5.534354 
1 1 1 14 3  14 o 434.5586 4.163436 1890.149       36.18772      1888.024       41.77740      1892.275       59.10613      434.3808 4.808846 434.7365 6.797926 -0.3557129     8.326872 
1 1 1 14 3  15 o 410.2463 5.023649 1686.115       40.59429      1764.045       35.30215      1608.186       73.11222      419.9081 4.203557 400.5845 9.125693 19.32355       10.04730 
1 1 1 14 3  16 f 162.4742 2.605538 264.2525       8.543928      250.0126       9.599521      278.5632       14.13361      158.0944 3.036009 166.8540 4.235324 -8.759521      5.211077 
1 1 1 14 3  17 o 650.1768 5.979589 4239.375       78.00054      4151.528       87.70633      4327.223       129.0799      643.7514 6.812128 656.6021 9.829387 -12.85065      11.95918 
1 1 1 14 3  18 o 97.39659 3.337454 95.00338       6.375357      100.7418       5.627233      89.33577       11.44150      100.3527 2.803728 94.44051 6.057516 5.912178       6.674908 
1 1 1 14 3  19 o 379.1353 3.604664 1439.574       27.36749      1430.364       29.04653      1448.075       46.38942      378.0695 3.841427 380.2010 6.100645 -2.131531      7.209329 
1 1 1 14 3  20 o 136.4593 2.358917 186.3937       6.402279      191.3528       7.035635      181.3637       10.69762      138.3057 2.543508 134.6129 3.973477 3.692871       4.717833 
1 1 1 14 3  21 o 305.9041 3.197593 937.9902       19.68079      905.4014       22.09661      969.8705       32.56753      300.7317 3.673808 311.0765 5.234649 -10.34479      6.395187 
1 1 1 14 3  22 o 287.7513 2.518826 829.5971       14.50201      854.3929       21.06936      804.0928       19.93583      292.1114 3.606391 283.3912 3.517369 8.720154       5.037652 
1 1 1 14 3  23 o 192.0081 2.083491 369.0325       7.998421      366.3404       11.39190      371.7247       11.23604      191.3057 2.977408 192.7104 2.915267 -1.404678      4.166983 
1 1 1 14 3  24 o 120.0222 2.031841 144.2408       4.876983      143.8866       6.959831      144.5242       6.834435      119.8882 2.902634 120.1561 2.843981 -0.2679367     4.063682 
1 1 1 14 3  25 o 241.5573 2.477380 585.1812       11.91616      545.9330       17.47042      624.5002       16.21646      233.4098 3.742436 249.7048 3.247126 -16.29509      4.954761 
1 1 1 14 3  26 o 131.2673 1.996918 172.5788       5.243251      171.7996       7.438744      173.3582       7.389152      130.9698 2.839870 131.5648 2.808179 -0.5950165     3.993837 
1 1 1 14 3  27 o 155.0672 2.007168 240.8736       6.223749      239.3150       8.869816      242.5030       8.735210      154.5510 2.869543 155.5834 2.807244 -1.032379      4.014336 
1 1 1 14 3  28 o 25.66190 5.156305 6.667948       2.959912      3.136316       4.088475      10.20170       4.279757      20.18411 7.538683 31.13968 7.036916 -10.95556      10.31261 
1 1 1 14 3  29 o 129.5782 2.041056 168.3281       5.287884      163.1564       7.481250      173.5707       7.474166      127.5687 2.932243 131.5876 2.839997 -4.018837      4.082112 
1 1 1 14 3  30 o 249.4047 2.343394 624.2877       11.69654      637.6774       16.92491      610.9688       16.13853      252.0607 3.357309 246.7486 3.270237 5.312042       4.686788 
1 1 1 14 3  31 o 66.21933 2.733740 44.22865       3.605311      38.95776       5.044885      49.49952       5.152570      62.24298 4.052574 70.19568 3.670148 -7.952702      5.467480 
1 1 1 14 3  32 o 105.9672 2.236484 112.7855       4.737417      109.7392       6.778466      115.7610       6.619065      104.5416 3.241995 107.3928 3.081707 -2.851234      4.472969 
1 1 1 14 3  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 3  34 o 45.02565 4.371177 21.21105       3.751252      16.35815       5.328974      26.07102       5.280091      39.36358 7.021451 50.68773 5.208451 -11.32414      8.742353 
1 1 1 14 3  35 o 114.3427 2.296276 131.6304       5.246085      129.1508       7.644195      134.1099       7.190785      113.2351 3.375366 115.4504 3.114233 -2.215309      4.592553 
1 1 1 14 3  36 o 72.11809 2.834346 52.65922       4.084933      50.93060       5.830558      54.38076       5.723582      70.91398 4.111007 73.32220 3.903035 -2.408226      5.668692 
1 1 1 14 3  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 3  38 o 28.76312 5.822384 9.174451       3.521714      9.209873       5.122815      9.139028       4.834475      28.81394 8.385652 28.71230 8.079696 0.1016426      11.64477 
1 1 1 14 3  39 o 70.22090 2.913325 50.61179       4.094143      51.66030       6.047344      49.56329       5.521673      70.88368 4.265682 69.55812 3.969108 1.325562       5.826651 
1 1 1 14 3  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 3  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 3  42 o 19.13020 5.372107 2.433532       3.311303      5.919823       4.666572      -1.052051      4.699161      22.67172 8.106631 15.58869 7.051289 7.083033       10.74421 
1 1 1 14 3  43 o 59.92741 3.196030 38.83733       3.815721      34.65038       5.343143      43.02428       5.449411      56.48015 4.730107 63.37467 4.299361 -6.894520      6.392059 
1 1 1 14 4  0  o 262.9365 4.621364 692.1574       24.28573      692.1574       24.28573      692.1574       24.28573      262.9365 4.621364 262.9365 4.621364 -0.000000      0.000000 
1 1 1 14 4  1  o 44.26421 4.409678 19.62411       3.895777      18.56144       5.610938      20.68679       5.405487      43.06313 6.514782 45.46528 5.944632 -2.402149      8.819356 
1 1 1 14 4  2  o 457.8790 4.974978 2099.143       45.56054      2116.146       64.79501      2081.431       64.06529      459.7716 7.046433 455.9864 7.024913 3.785248       9.949956 
1 1 1 14 4  3  o 242.7104 3.116124 589.2902       15.12545      586.6689       21.20396      591.9823       21.57944      242.1640 4.378017 243.2568 4.435526 -1.092850      6.232249 
1 1 1 14 4  4  o 33.54050 5.591994 11.72488       3.694576      10.98809       5.264505      12.46167       5.183742      32.48689 8.117185 34.59412 7.693694 -2.107235      11.18399 
1 1 1 14 4  5  o 409.0990 5.232432 1675.488       42.74090      1686.115       42.96760      1664.862       73.89152      410.5096 5.233447 407.6885 9.062253 2.821106       10.46486 
1 1 1 14 4  6  o 293.3382 3.969862 861.4774       23.42141      844.4745       20.37507      877.7718       42.18830      290.5612 3.506159 296.1153 7.123628 -5.554138      7.939725 
1 1 1 14 4  7  o 92.25044 3.376356 85.29759       6.064347      92.52380       5.554262      78.07139       10.78264      96.18020 2.887425 88.32069 6.104253 7.859512       6.752712 
1 1 1 14 4  8  o 259.8973 2.849190 675.7921       14.87040      660.0645       16.69821      691.5906       24.61161      256.8840 3.250146 262.9106 4.680606 -6.026581      5.698380 
1 1 1 14 4  9  f 726.8279 6.605772 5294.260       96.34944      5199.328       108.6765      5388.484       159.0474      720.5899 7.540801 733.0659 10.84810 -12.47601      13.21154 
1 1 1 14 4  10 o 649.7692 5.704813 4228.040       73.82067      4303.845       80.83435      4152.236       123.6248      655.7776 6.163244 643.7607 9.601769 12.01685       11.40963 
1 1 1 14 4  11 o 306.0861 3.056165 937.2817       18.69604      939.4071       20.00668      935.1564       31.59695      306.4607 3.264151 305.7114 5.167774 0.7492981      6.112329 
1 1 1 14 4  12 o 515.6756 4.649771 2662.362       47.96218      2660.237       51.18564      2664.487       81.11773      515.6010 4.963688 515.7502 7.864051 -0.1492920     9.299542 
1 1 1 14 4  13 o 373.4941 3.583466 1395.650       26.72280      1407.694       28.97568      1384.315       44.90167      375.1141 3.862248 371.8741 6.037214 3.239990       7.166932 
1 1 1 14 4  14 o 577.5585 5.159052 3340.350       59.56663      3341.767       63.75357      3338.933       100.6710      577.8519 5.516429 577.2652 8.719648 0.5866699      10.31810 
1 1 1 14 4  15 o 540.5608 4.866923 2925.906       52.49628      2954.244       56.87451      2897.568       88.27309      543.3261 5.233921 537.7955 8.206939 5.530579       9.733847 
1 1 1 14 4  16 o 225.3040 2.787647 507.8891       12.56793      507.3223       14.44533      508.4559       20.55927      225.1985 3.207244 225.4095 4.560427 -0.2109680     5.575294 
1 1 1 14 4  17 o 170.3307 2.965265 290.3944       10.10252      281.6096       14.22571      299.1792       14.33906      167.7524 4.240092 172.9090 4.146420 -5.156555      5.930529 
1 1 1 14 4  18 o 416.8969 5.099806 1742.083       42.83300      1701.701       33.99152      1783.173       78.63815      412.3565 4.121618 421.4373 9.329757 -9.080811      10.19961 
1 1 1 14 4  19 o 271.7359 2.855679 738.9152       15.39466      768.6702       17.26497      709.8687       25.49718      277.1846 3.114346 266.2873 4.787532 10.89728       5.711358 
1 1 1 14 4  20 o 178.8956 2.411587 320.4327       8.706873      307.0430       9.025676      333.7516       14.89166      175.1921 2.575937 182.5991 4.077691 -7.407013      4.823174 
1 1 1 14 4  21 o 388.0384 3.676878 1509.711       28.56478      1499.792       30.40675      1518.921       48.37309      387.0076 3.928444 389.0692 6.216515 -2.061615      7.353756 
1 1 1 14 4  22 o 231.2987 2.611071 535.7313       12.06493      538.1400       13.06385      533.3225       20.29006      231.8854 2.816877 230.7121 4.397268 1.173233       5.222141 
1 1 1 14 4  23 o 83.37362 2.786039 69.95253       4.554636      79.55913       5.815681      60.36717       7.011548      89.14160 3.262046 77.60564 4.517422 11.53596       5.572077 
1 1 1 14 4  24 o 212.7870 2.318596 453.4800       9.861650      460.2812       13.27639      446.6080       14.57994      214.4074 3.096065 211.1667 3.452235 3.240723       4.637191 
1 1 1 14 4  25 o 184.9600 2.073429 342.6073       7.672533      331.7680       10.71179      353.5175       10.98100      182.0233 2.942423 187.8967 2.922085 -5.873428      4.146859 
1 1 1 14 4  26 o 159.1899 2.008249 253.8383       6.392360      250.5085       9.139028      257.1680       8.940661      158.1412 2.889515 160.2386 2.789797 -2.097351      4.016499 
1 1 1 14 4  27 o 126.8785 2.028718 161.3853       5.150445      169.1783       7.509589      153.5923       7.053346      129.9419 2.889596 123.8151 2.848338 6.126778       4.057437 
1 1 1 14 4  28 o 148.2063 2.018225 220.1160       5.982875      220.3285       8.614774      219.9034       8.303054      148.2722 2.905053 148.1404 2.802428 0.1318512      4.036451 
1 1 1 14 4  29 o 148.8294 2.035903 222.1705       6.055846      213.3857       8.565183      230.8844       8.565183      145.8900 2.935493 151.7688 2.821786 -5.878799      4.071805 
1 1 1 14 4  30 o 96.54895 2.230503 93.86986       4.306678      104.4258       6.339226      83.24309       5.831267      102.0202 3.106849 91.07771 3.201259 10.94248       4.461006 
1 1 1 14 4  31 o 118.6428 2.138425 141.3361       5.079599      149.7667       7.459997      132.9055       6.895361      122.1808 3.052851 115.1048 2.995255 7.076065       4.276851 
1 1 1 14 4  32 o 19.53469 5.515864 1.958869       3.281549      3.044217       4.728208      0.8728126      4.552511      20.86132 8.022629 18.20807 7.572083 2.653254       11.03173 
1 1 1 14 4  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 4  34 o 127.6869 2.257193 164.0774       5.773882      172.0121       8.565183      156.0719       7.743378      130.7721 3.274852 124.6016 3.107254 6.170448       4.514386 
1 1 1 14 4  35 o 143.6435 2.196592 207.6472       6.304513      201.1295       9.046929      214.2358       8.784801      141.3492 3.200206 145.9378 3.009776 -4.588623      4.393185 
1 1 1 14 4  36 o 113.9928 2.314570 131.0636       5.268047      124.8292       7.615856      137.3688       7.275800      111.2211 3.423747 116.7644 3.115589 -5.543373      4.629140 
1 1 1 14 4  37 o 48.61672 4.670022 27.00618       3.873106      12.14995       5.504670      41.86242       5.450119      33.10708 8.317332 64.12636 4.249516 -31.01928      9.340043 
1 1 1 14 4  38 o 81.84084 2.836734 68.27350       4.646027      64.70998       6.359772      71.83701       6.774924      79.71192 3.989223 83.96974 4.034146 -4.257820      5.673468 
1 1 1 14 4  39 o 88.25812 2.977654 80.12590       5.279383      74.67081       6.727458      85.65182       8.140111      85.38061 3.939687 91.13562 4.465933 -5.755013      5.955308 
1 1 1 14 4  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 4  41 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 4  42 o 30.19888 5.689630 11.28564       3.520297      12.16412       4.785592      10.41424       5.163905      31.65313 7.636264 28.74464 8.436527 2.908485       11.37926 
1 1 1 14 4  43 o 23.05111 5.597407 6.743044       3.133482      7.764632       4.630441      5.719331       4.223081      24.46225 8.112459 21.63996 7.714392 2.822287       11.19481 
1 1 1 14 5  0  o 170.4730 3.863071 291.1028       13.15595      291.1028       13.15595      291.1028       13.15595      170.4730 3.863071 170.4730 3.863071 0.000000       0.000000 
1 1 1 14 5  1  o 332.1000 4.415895 1104.476       29.08195      1142.733       30.36424      1065.511       49.61288      337.9729 4.492112 326.2270 7.604042 11.74588       8.831791 
1 1 1 14 5  2  o 50.91009 4.870203 26.43233       4.622647      29.75498       4.756546      23.10970       7.927575      54.53751 4.360802 47.28267 8.709702 7.254837       9.740405 
1 1 1 14 5  3  o 98.70761 3.219917 97.83719       6.580809      86.50197       5.405487      109.1016       12.00117      92.99847 2.906224 104.4167 5.746766 -11.41827      6.439834 
1 1 1 14 5  4  f 203.9668 3.203601 416.2154       13.12761      410.9020       10.49217      421.5288       24.05902      202.6934 2.588187 205.2402 5.861187 -2.546768      6.407202 
1 1 1 14 5  5  o 280.2244 3.736810 786.3815       20.54510      832.4308       18.00176      740.3321       36.93867      288.4894 3.120004 271.9594 6.791213 16.53006       7.473619 
1 1 1 14 5  6  o 421.0918 5.134869 1775.380       43.44226      1749.876       34.60078      1800.884       79.70082      418.2350 4.136525 423.9486 9.399823 -5.713623      10.26974 
1 1 1 14 5  7  o 539.8251 6.313635 2920.238       67.79175      2964.871       56.60530      2874.897       123.1998      544.3279 5.199558 535.3223 11.50706 9.005676       12.62727 
1 1 1 14 5  8  o 705.1369 8.118590 4988.209       114.3441      5000.253       93.51564      4975.457       208.6391      706.7543 6.615852 703.5195 14.82824 3.234863       16.23718 
1 1 1 14 5  9  o 564.2185 6.587156 3189.450       74.03321      3227.707       61.40152      3151.194       134.6767      567.9507 5.405531 560.4863 12.01427 7.464478       13.17431 
1 1 1 14 5  10 o 551.0002 4.941757 3039.258       54.60747      3003.127       57.41294      3075.389       92.87803      547.8492 5.239848 554.1513 8.380205 -6.302063      9.883513 
1 1 1 14 5  11 o 75.80021 3.075761 57.49086       4.678616      56.22982       5.398402      58.75191       7.644195      74.97442 3.600163 76.62600 4.987990 -1.651581      6.151522 
1 1 1 14 5  12 o 462.7347 4.241186 2143.775       39.22697      2148.734       42.02536      2138.107       66.24732      463.4093 4.534368 462.0601 7.168692 1.349213       8.482371 
1 1 1 14 5  13 o 76.17961 3.148635 58.17806       4.704120      63.24349       5.234750      53.10555       7.821308      79.51411 3.291712 72.84512 5.368450 6.668983       6.297271 
1 1 1 14 5  14 o 119.7026 3.872827 143.5323       9.082352      152.3880       7.856731      134.6767       16.37940      123.4294 3.182682 115.9758 7.061564 7.453644       7.745654 
1 1 1 14 5  15 o 277.2128 3.005612 769.3787       16.76197      748.1251       17.39249      789.9238       28.66396      273.4779 3.179872 280.9478 5.101296 -7.469879      6.011223 
1 1 1 14 5  16 o 200.1707 2.783986 400.9128       11.15103      398.3624       13.67312      403.4633       17.62628      199.5477 3.426028 200.7937 4.389151 -1.246063      5.567972 
1 1 1 14 5  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 5  18 o 170.3869 2.520824 290.4652       8.607689      286.9230       9.967916      294.0783       14.03443      169.3538 2.942927 171.4201 4.093579 -2.066284      5.041647 
1 1 1 14 5  19 o 272.3838 2.887915 743.1660       15.86224      714.8279       16.29439      770.7955       27.22580      267.3011 3.047947 277.4665 4.906142 -10.16541      5.775830 
1 1 1 14 5  20 o 552.1736 4.979288 3059.095       55.12463      3018.005       57.85926      3100.185       93.86986      548.8608 5.270849 555.4863 8.449342 -6.625427      9.958575 
1 1 1 14 5  21 o 316.3113 3.276212 1002.459       20.84974      970.5789       23.01760      1035.048       34.76373      311.3417 3.696517 321.2809 5.410176 -9.939209      6.552423 
1 1 1 14 5  22 o 119.7517 2.375720 143.6032       5.722165      139.4942       6.079933      147.7122       9.698705      118.0670 2.574781 121.4363 3.993329 -3.369354      4.751439 
1 1 1 14 5  23 o 292.2566 3.020058 855.8098       17.75380      832.4308       18.43391      879.8971       30.35716      288.3439 3.196515 296.1692 5.124969 -7.825287      6.040117 
1 1 1 14 5  24 o 201.9440 2.488614 408.4933       10.08835      401.1962       10.68345      415.8612       17.11619      200.2030 2.668156 203.6850 4.201635 -3.481995      4.977227 
1 1 1 14 5  25 o 131.1858 2.136175 172.3663       5.602437      175.2001       7.658363      169.5325       8.175533      132.2723 2.894924 130.0993 3.142036 2.172958       4.272350 
1 1 1 14 5  26 f 86.61148 2.442249 75.30843       4.240792      70.63972       5.621565      79.91336       6.349853      83.94799 3.348243 89.27496 3.556346 -5.326973      4.884499 
1 1 1 14 5  27 o 212.3101 2.344291 452.2048       9.989170      431.0929       12.76630      473.2458       15.36632      207.3971 3.077743 217.2231 3.536990 -9.826019      4.688582 
1 1 1 14 5  28 o 105.2326 2.288666 111.0852       4.805429      116.4695       6.573016      105.7719       7.010839      107.7837 3.049168 102.6815 3.413875 5.102211       4.577332 
1 1 1 14 5  29 o 110.8909 2.232285 123.3415       4.955620      120.9327       6.658030      125.7502       7.339560      109.8207 3.031318 111.9612 3.277726 -2.140457      4.464569 
1 1 1 14 5  30 o 52.43327 3.401644 27.79965       3.535174      30.87433       4.802595      24.73205       5.188701      55.37837 4.336165 49.48817 5.242365 5.890202       6.803288 
1 1 1 14 5  31 o 154.7493 2.245526 240.3777       6.956288      236.6229       9.323226      244.1325       10.32214      153.5653 3.035590 155.9333 3.309794 -2.368011      4.491051 
1 1 1 14 5  32 o 49.02603 3.875734 24.38491       3.800136      21.86991       5.163905      26.90700       5.576224      46.47998 5.554978 51.57208 5.406243 -5.092106      7.751467 
1 1 1 14 5  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 5  34 o 116.9733 2.448701 137.7230       5.732792      134.1099       7.757547      141.4070       8.444746      115.4466 3.359800 118.5000 3.563185 -3.053398      4.897401 
1 1 1 14 5  35 o 57.23193 3.604416 33.36808       4.124607      30.88850       5.690285      35.85475       5.972248      55.08667 5.164848 59.37718 5.029077 -4.290512      7.208833 
1 1 1 14 5  36 o 53.36330 3.847841 29.15988       4.106186      29.30865       5.689576      29.01818       5.921948      53.52513 5.314864 53.20148 5.565586 0.3236504      7.695683 
1 1 1 14 5  37 o 60.27362 3.733687 37.30707       4.505753      36.71197       5.719331      37.90217       6.963373      59.93741 4.771086 60.60983 5.744425 -0.6724167     7.467375 
1 1 1 14 5  38 f 88.25482 3.004523 79.48829       5.305595      79.06322       6.664406      79.98421       8.253463      88.18900 3.778479 88.32065 4.672443 -0.1316452     6.009046 
1 1 1 14 5  39 o 53.67584 4.080740 30.38550       4.392401      27.01326       5.790885      33.75773       6.606313      50.71598 5.709133 56.63571 5.832285 -5.919735      8.161480 
1 1 1 14 5  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 5  41 o 27.54118 10.29619 9.592437       7.630026      9.592437       7.630026      ?              ?             27.54118 10.29619 ?        ?        ?              ?        
1 1 1 14 5  42 o 102.7979 2.434507 109.5975       5.002378      108.1806       7.219123      111.0144       6.929367      102.0307 3.537723 103.5650 3.345418 -1.534370      4.869015 
1 1 1 14 5  43 o 19.94781 5.397465 4.522757       3.019422      5.329682       4.631858      3.715830       3.875940      21.15094 7.995982 18.74469 7.252227 2.406248       10.79493 
1 1 1 14 6  0  o 724.3608 7.576759 5251.753       109.7392      5251.753       109.7392      5251.753       109.7392      724.3608 7.576759 724.3608 7.576759 0.000000       0.000000 
1 1 1 14 6  1  o 219.4059 2.301565 481.5347       10.10252      477.9924       13.18429      485.0061       15.31673      218.6102 3.015478 220.2016 3.477888 -1.591324      4.603131 
1 1 1 14 6  2  o 270.6812 2.576394 733.2476       13.95650      726.8716       18.14345      738.9152       21.21105      269.5745 3.365202 271.7878 3.902133 -2.213348      5.152788 
1 1 1 14 6  3  o 157.7632 2.080734 248.9500       6.559555      252.5631       8.706873      245.3369       9.812057      158.9100 2.739561 156.6164 3.132512 2.293564       4.161469 
1 1 1 14 6  4  o 256.1064 3.589824 656.2389       18.41975      652.4132       14.85623      660.1354       33.71522      255.4006 2.908418 256.8121 6.564180 -1.411499      7.179649 
1 1 1 14 6  5  o 258.0336 3.637850 666.5114       19.02193      640.4404       14.67204      692.5117       35.10379      253.0449 2.899097 263.0223 6.673158 -9.977371      7.275699 
1 1 1 14 6  6  o 409.4092 5.030562 1678.322       41.38775      1653.526       32.91467      1703.118       75.94603      406.5548 4.047999 412.2635 9.210859 -5.708740      10.06112 
1 1 1 14 6  7  f 342.0594 4.337144 1171.779       29.33699      1210.744       24.98001      1132.106       53.09846      347.9035 3.590078 336.2154 7.896494 11.68805       8.674289 
1 1 1 14 6  8  o 421.4858 5.152162 1778.922       43.41393      1779.631       35.24548      1777.505       79.34660      421.7761 4.178221 421.1956 9.419211 0.5804749      10.30432 
1 1 1 14 6  9  o 890.2523 10.16255 7962.998       180.7969      7955.914       147.3580      7962.998       330.2094      891.3268 8.266214 889.1777 18.56824 2.149109       20.32511 
1 1 1 14 6  10 o 843.4745 9.680777 7148.279       163.6524      7079.559       131.4886      7212.039       299.7459      840.8018 7.819242 846.1471 17.71240 -5.345276      19.36155 
1 1 1 14 6  11 o 534.2055 6.392117 2860.728       69.04571      2765.087       53.17639      2957.078       127.4505      525.6550 5.058108 542.7560 11.74105 -17.10107      12.78423 
1 1 1 14 6  12 o 173.2167 3.113110 300.5961       10.79680      279.8385       14.70037      321.2829       15.80556      167.2385 4.395032 179.1949 4.410160 -11.95636      6.226220 
1 1 1 14 6  13 f 645.8551 5.729234 4178.449       74.10406      4162.154       78.70899      4194.743       125.4668      644.8345 6.103038 646.8757 9.697907 -2.041138      11.45847 
1 1 1 14 6  14 o 338.8003 4.480929 1149.109       30.43509      1140.607       24.29281      1157.610       55.80475      337.6703 3.597120 339.9302 8.208265 -2.259949      8.961858 
1 1 1 14 6  15 o 171.8145 2.900373 295.4244       9.939578      303.7841       12.95758      287.0647       15.08294      174.2544 3.718007 169.3746 4.452538 4.879807       5.800747 
1 1 1 14 6  16 o 471.9075 4.345799 2230.206       41.03353      2224.539       43.71148      2235.874       69.45662      471.4554 4.635801 472.3596 7.352090 -0.9042053     8.691599 
1 1 1 14 6  17 o 263.9396 2.875209 697.1874       15.16795      698.7460       16.17395      695.5579       25.66721      264.2832 3.059966 263.5959 4.868666 0.6872864      5.750417 
1 1 1 14 6  18 o 263.0707 2.854389 692.6533       15.05460      684.7895       15.95433      700.4462       25.53260      261.6274 3.049056 264.5140 4.826323 -2.886627      5.708777 
1 1 1 14 6  19 o 629.9775 7.520893 3993.543       95.28677      3904.986       82.67632      4081.391       171.7287      624.1718 6.622882 635.7834 13.50529 -11.61163      15.04179 
1 1 1 14 6  20 o 146.1745 2.481694 213.8816       7.240376      216.8571       8.451830      210.9061       11.75322      147.2142 2.870589 145.1349 4.049066 2.079300       4.963388 
1 1 1 14 6  21 o 97.99230 2.668700 96.20776       5.267339      91.88619       5.965872      100.5293       8.685618      95.81203 3.113321 100.1726 4.335328 -4.360535      5.337400 
1 1 1 14 6  22 o 21.27789 6.038219 2.132440       3.958828      0.6099061      5.014421      3.654903       6.126691      18.91722 7.911973 23.63856 9.123653 -4.721336      12.07644 
1 1 1 14 6  23 o 120.0350 2.523785 144.3116       6.064347      143.6032       6.855688      145.0201       10.00334      119.7740 2.861928 120.2959 4.157804 -0.5219574     5.047570 
1 1 1 14 6  24 o 70.11284 3.035631 49.29408       4.272672      47.99761       5.034966      50.59054       6.903862      69.21616 3.637133 71.00951 4.861224 -1.793343      6.071263 
1 1 1 14 6  25 f 112.4898 2.495708 126.8129       5.586143      130.7802       6.614106      122.9164       9.004422      114.2743 2.893962 110.7053 4.066845 3.569000       4.991417 
1 1 1 14 6  26 o 139.4408 2.606613 195.0368       7.275800      191.7779       9.358648      198.2957       11.15103      138.3088 3.383245 140.5729 3.966280 -2.264145      5.213226 
1 1 1 14 6  27 o 140.5051 2.190241 198.0831       6.133776      212.3230       8.522675      183.9141       8.827310      145.5655 2.927437 135.4448 3.258638 10.12070       4.380481 
1 1 1 14 6  28 o 178.6522 2.233528 320.2202       7.998421      309.0975       10.43549      331.2720       12.12161      175.5877 2.971591 181.7168 3.335303 -6.129120      4.467057 
1 1 1 14 6  29 o 224.8896 2.425457 507.5349       10.90307      515.5403       14.74288      499.5293       16.06060      226.7027 3.251590 223.0765 3.599797 3.626160       4.850914 
1 1 1 14 6  30 o 154.1727 2.223613 238.5357       6.867023      232.0180       9.096521      245.1243       10.28672      152.0805 2.990692 156.2648 3.291439 -4.184265      4.447225 
1 1 1 14 6  31 o 124.7793 2.296699 156.3553       5.736334      153.2381       7.792970      159.4725       8.416408      123.5500 3.153772 126.0087 3.339615 -2.458664      4.593398 
1 1 1 14 6  32 o 74.68904 3.061823 56.24399       4.568805      58.41185       6.371107      54.07613       6.549637      76.14840 4.183349 73.22968 4.471983 2.918724       6.123646 
1 1 1 14 6  33 o 108.7240 2.757877 119.3033       5.997753      112.4313       8.260548      126.2461       8.699788      105.5720 3.912282 111.8761 3.888135 -6.304100      5.515754 
1 1 1 14 6  34 o 116.5948 2.464756 136.9437       5.739168      142.6822       7.970083      131.2053       8.260548      119.0701 3.346804 114.1195 3.619252 4.950523       4.929512 
1 1 1 14 6  35 o 97.90271 2.935482 96.98705       5.766089      93.86986       7.134109      100.1751       9.061099      96.43062 3.699089 99.37481 4.559052 -2.944191      5.870964 
1 1 1 14 6  36 o 19.66629 5.980402 0.2130314      4.250711      -0.5157529     5.729958      0.9415324      6.279008      18.67331 8.147170 20.65928 8.756967 -1.985962      11.96080 
1 1 1 14 6  37 o 53.84827 4.159836 29.96751       4.475998      30.29340       5.968707      29.63454       6.671490      54.25359 5.500748 53.44296 6.241693 0.8106308      8.319673 
1 1 1 14 6  38 o 168.7707 2.689420 289.8276       9.089437      286.3562       11.20062      293.2990       14.31073      168.0973 3.331590 169.4441 4.222845 -1.346878      5.378839 
1 1 1 14 6  39 o 131.6638 2.659786 176.9004       6.991711      179.8051       9.046929      174.0666       10.66220      132.9738 3.401771 130.3537 4.089719 2.620102       5.319572 
1 1 1 14 6  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 6  41 o 16.78669 5.311074 -0.3223456     3.764713      -0.8118857     6.538302      0.1671946      3.733541      18.44592 8.331973 15.12746 6.588495 3.318453       10.62215 
1 1 1 14 6  42 o 32.69688 5.355546 12.73796       3.750544      9.216957       6.481626      16.25897       3.775340      26.52296 9.546947 38.87081 4.856266 -12.34785      10.71109 
1 1 1 14 6  43 o 62.68542 3.718601 43.82483       4.593602      40.58720       7.127024      47.05537       5.798677      59.38908 6.000283 65.98177 4.394152 -6.592690      7.437201 
1 1 1 14 7  0  o 163.0008 2.813935 265.9528       9.167366      265.9528       9.167366      265.9528       9.167366      163.0008 2.813935 163.0008 2.813935 0.000000       0.000000 
1 1 1 14 7  1  o 447.2096 3.474480 2000.668       31.07270      1991.458       43.73273      2010.586       44.16489      446.1414 4.901218 448.2777 4.926063 -2.136292      6.948960 
1 1 1 14 7  2  o 240.6573 2.250138 579.7261       10.83931      549.1918       14.71454      610.1895       15.92599      234.3229 3.139801 246.9917 3.223994 -12.66887      4.500277 
1 1 1 14 7  3  o 174.8968 2.469882 305.9803       8.628942      303.2174       14.09111      308.7433       9.953747      174.0987 4.046872 175.6948 2.832682 -1.596054      4.939763 
1 1 1 14 7  4  o 333.8298 3.563831 1115.103       23.78981      1118.645       30.18713      1111.561       36.76865      334.3801 4.513895 333.2795 5.516188 1.100616       7.127662 
1 1 1 14 7  5  o 447.7265 3.756491 2006.335       33.64437      2002.793       44.02319      2009.169       50.88101      447.3928 4.919971 448.0602 5.677921 -0.6673889     7.512983 
1 1 1 14 7  6  o 591.5580 4.803328 3503.294       56.80367      3533.757       75.09589      3472.831       85.22675      594.1734 6.319358 588.9425 7.235575 5.230896       9.606655 
1 1 1 14 7  7  o 465.7135 3.881732 2170.696       36.13813      2186.991       47.79924      2153.693       54.21073      467.5200 5.112000 463.9070 5.842845 3.613007       7.763464 
1 1 1 14 7  8  o 572.6167 4.663095 3282.257       53.43852      3258.170       69.48495      3305.636       81.18858      570.5843 6.088930 574.6491 7.064187 -4.064819      9.326189 
1 1 1 14 7  9  o 154.1190 2.151279 237.5439       6.628275      239.1025       8.763549      236.0561       9.946663      154.6152 2.833986 153.6228 3.237365 0.9924011      4.302558 
1 1 1 14 7  10 o 442.1376 4.223737 1956.744       37.32124      1965.245       43.32891      1948.242       60.77808      443.1682 4.888540 441.1071 6.889266 2.061188       8.447474 
1 1 1 14 7  11 o 500.7896 4.162339 2510.753       41.71364      2492.333       54.20364      2528.464       63.41352      499.0242 5.430964 502.5550 6.309112 -3.530762      8.324677 
1 1 1 14 7  12 o 573.2828 4.698559 3290.759       53.85650      3297.135       70.56180      3283.674       81.40111      573.9177 6.147379 572.6479 7.107430 1.269775       9.397119 
1 1 1 14 7  13 o 264.1213 2.689211 698.1083       14.25405      670.1246       17.90966      726.1631       22.18871      258.8276 3.459767 269.4151 4.117941 -10.58746      5.378422 
1 1 1 14 7  14 o 173.1381 2.860815 300.0293       9.819141      313.5608       11.18645      286.5688       16.14561      177.0501 3.159120 169.2260 4.770430 7.824112       5.721629 
1 1 1 14 7  15 o 313.8066 3.155620 985.4564       19.80831      983.3311       27.94134      987.5818       28.07594      313.4685 4.456801 314.1447 4.468632 -0.6762085     6.311240 
1 1 1 14 7  16 o 164.5772 2.873546 271.1245       9.422408      280.6886       11.94450      261.5604       14.57285      167.4938 3.565654 161.6607 4.507236 5.833115       5.747091 
1 1 1 14 7  17 o 110.3468 2.389053 121.8537       5.292843      116.4695       6.648112      127.3088       8.239295      107.8973 3.080760 112.7963 3.652290 -4.899017      4.778107 
1 1 1 14 7  18 o 311.6801 3.076324 972.7043       19.17779      964.9113       26.75822      979.7889       27.48084      310.4905 4.309024 312.8696 4.391741 -2.379059      6.152648 
1 1 1 14 7  19 o 340.4637 3.452358 1161.152       23.38599      1200.826       28.03344      1121.479       37.43459      346.3582 4.046885 334.5692 5.594448 11.78906       6.904717 
1 1 1 14 7  20 o 62.30157 3.126928 39.26240       3.935450      31.57570       4.830933      46.94910       6.214540      56.14622 4.302100 68.45693 4.539014 -12.31071      6.253856 
1 1 1 14 7  21 o 149.1183 2.214944 222.7372       6.639610      211.0478       8.253463      234.4267       10.40007      145.2157 2.841794 153.0209 3.398252 -7.805206      4.429888 
1 1 1 14 7  22 o 359.4931 3.203599 1295.050       23.01051      1311.344       30.34299      1279.464       34.60787      361.7647 4.193747 357.2216 4.844034 4.543152       6.407197 
1 1 1 14 7  23 o 225.3210 2.442965 508.4559       11.01642      503.0716       14.05568      513.9109       16.97450      224.1507 3.135320 226.4913 3.747276 -2.340561      4.885930 
1 1 1 14 7  24 o 36.89854 4.907584 14.62953       3.424656      22.23122       4.415071      7.025008       5.236876      47.07289 4.689611 26.72418 8.622358 20.34871       9.815167 
1 1 1 14 7  25 o 18.30484 5.085350 -0.2988249     3.202202      4.607770       4.105478      -5.205703      4.915947      22.30333 7.638769 14.30635 6.715083 7.996974       10.17070 
1 1 1 14 7  26 o 284.8127 2.745941 814.0111       15.62845      821.0956       20.44592      806.9266       23.64812      286.1277 3.572866 283.4977 4.170779 2.630035       5.491882 
1 1 1 14 7  27 o 41.94974 4.100787 17.74672       3.435283      17.92383       4.198994      17.56252       5.437367      42.20867 4.974089 41.69081 6.521062 0.5178604      8.201573 
1 1 1 14 7  28 o 35.82897 5.050313 13.31181       3.534466      11.72488       5.433117      14.89874       4.521339      33.25700 8.207660 38.40094 5.887017 -5.143944      10.10063 
1 1 1 14 7  29 o 37.79888 5.012787 14.84915       3.653486      12.61753       5.695244      17.07369       4.577307      34.47401 8.339049 41.12374 5.565285 -6.649731      10.02557 
1 1 1 14 7  30 o 253.2174 2.641472 644.2661       13.39682      653.9010       20.70805      634.6311       16.99576      255.0027 4.060358 251.4321 3.379791 3.570602       5.282943 
1 1 1 14 7  31 o 98.50137 2.625520 97.55381       5.174532      97.83719       8.111773      97.27043       6.422824      98.58369 4.114156 98.41905 3.262998 0.1646423      5.251041 
1 1 1 14 7  32 o 83.31479 3.160252 70.41302       5.343852      80.12590       8.643111      60.67890       6.282550      89.02750 4.854181 77.60209 4.047926 11.42541       6.320505 
1 1 1 14 7  33 o 131.7800 2.603323 175.1293       6.809639      165.0693       10.60552      185.1185       8.543928      127.8730 4.146897 135.6870 3.148395 -7.814041      5.206645 
1 1 1 14 7  34 o 34.88812 5.935840 13.41099       4.185533      17.87424       6.521298      8.954830       5.248210      40.77739 8.284473 28.99885 8.503192 11.77853       11.87168 
1 1 1 14 7  35 o 71.58621 3.705657 52.41126       5.200744      46.26190       8.161365      58.56771       6.448328      67.13186 6.078608 76.04057 4.240057 -8.908714      7.411313 
1 1 1 14 7  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 7  37 o 51.01426 4.759207 27.31790       4.743084      24.12278       7.509589      30.50593       5.797969      47.59523 7.889013 54.43329 5.325758 -6.838055      9.518414 
1 1 1 14 7  38 o 22.51652 6.123144 3.654903       4.176323      1.896526       7.058305      5.413280       4.466080      22.02194 9.306997 23.01109 7.959356 -0.9891529     12.24629 
1 1 1 14 7  39 o 83.49047 3.291858 71.97870       5.353770      66.31818       9.231127      77.64632       5.428866      79.48280 5.806997 87.49815 3.102275 -8.015350      6.583716 
1 1 1 14 7  40 o 17.85422 5.453343 -2.301760      4.351311      -8.076350      7.587519      3.474956       4.265588      16.23663 7.829919 19.47181 7.592640 -3.235184      10.90669 
1 1 1 14 7  41 o 92.55968 2.748136 88.98154       5.083141      90.25676       8.820225      87.63548       5.051261      92.37300 4.774244 92.74636 2.723159 -0.3733597     5.496272 
1 1 1 14 7  42 o 17.34357 5.372414 1.692491       3.589017      4.111146       6.333559      -0.7261630     3.380023      21.27305 8.894283 13.41410 6.028521 7.858956       10.74483 
1 1 1 14 7  43 o 78.63313 3.207091 67.50837       5.049136      69.15906       7.821308      65.86476       6.383151      78.95667 4.952911 78.30959 4.075587 0.6470795      6.414182 
1 1 1 14 8  0  o 829.3621 8.633922 6886.860       143.1781      6886.860       143.1781      6886.860       143.1781      829.3621 8.633922 829.3621 8.633922 -0.000000      0.000000 
1 1 1 14 8  1  o 258.9966 2.359723 670.9747       12.22788      669.8412       17.27205      672.1082       17.30039      258.7779 3.337236 259.2154 3.337069 -0.4375305     4.719446 
1 1 1 14 8  2  o 474.1848 3.665566 2250.043       34.76373      2271.297       49.62704      2228.789       48.69897      476.4228 5.208299 471.9467 5.159373 4.476166       7.331132 
1 1 1 14 8  3  o 290.9185 2.522248 846.5999       14.67204      848.0168       20.81431      845.1830       20.69388      291.1617 3.574356 290.6752 3.559622 0.4865112      5.044495 
1 1 1 14 8  4  o 397.1533 3.158098 1578.431       25.08628      1589.057       35.69889      1567.095       35.25256      398.5346 4.478769 395.7720 4.453645 2.762543       6.316195 
1 1 1 14 8  5  o 285.0649 2.584162 812.5942       14.69329      796.2998       22.95384      829.5971       18.36307      282.1353 4.067877 287.9944 3.188095 -5.859039      5.168324 
1 1 1 14 8  6  o 504.1804 3.987774 2544.050       40.19047      2532.007       63.33559      2555.385       49.48536      502.9803 6.296031 505.3805 4.895851 -2.400208      7.975548 
1 1 1 14 8  7  o 391.5786 3.380993 1534.507       26.42525      1482.790       38.97902      1586.224       35.69889      384.9668 5.062647 398.1905 4.482639 -13.22369      6.761986 
1 1 1 14 8  8  o 218.5920 2.365566 478.1341       10.31506      457.5890       15.22463      498.7501       13.92108      213.8820 3.559120 223.3020 3.117096 -9.420074      4.731133 
1 1 1 14 8  9  o 33.18771 5.323312 11.46984       3.474247      11.79572       5.384942      11.14395       4.390984      33.64028 8.090731 32.73513 6.920310 0.9051437      10.64662 
1 1 1 14 8  10 o 529.8465 4.374999 2810.428       46.36817      2816.804       70.27133      2804.052       60.51595      530.4055 6.624303 529.2875 5.716737 1.117920       8.749998 
1 1 1 14 8  11 o 125.3342 2.592957 157.2054       6.504296      161.2436       9.535762      153.0964       8.848563      126.9576 3.755491 123.7108 3.576310 3.246780       5.185915 
1 1 1 14 8  12 o 640.6058 5.209650 4109.729       66.83534      4170.656       102.3004      4048.802       86.00604      645.2841 7.926775 635.9275 6.762252 9.356628       10.41930 
1 1 1 14 8  13 o 108.0109 2.878287 116.8945       6.258463      124.9709       9.819141      108.7474       7.757547      111.7601 4.392955 104.2617 3.720227 7.498367       5.756574 
1 1 1 14 8  14 o 61.88570 3.742078 38.41225       4.661613      41.76323       7.261631      35.05420       5.848269      64.58955 5.621367 59.18185 4.940932 5.407696       7.484155 
1 1 1 14 8  15 o 118.8792 2.449874 141.5487       5.853937      151.0419       9.110690      132.0554       7.360813      122.8661 3.707568 114.8923 3.203353 7.973778       4.899748 
1 1 1 14 8  16 o 250.8809 2.976314 629.9553       14.88457      619.1160       24.41325      640.7947       17.04535      248.6866 4.908436 253.0751 3.367646 -4.388504      5.952629 
1 1 1 14 8  17 o 297.8675 3.020039 887.6901       17.99467      877.7718       25.22088      898.3169       25.66721      296.1454 4.258193 299.5896 4.283729 -3.444183      6.040078 
1 1 1 14 8  18 o 345.6931 3.633526 0.000000       0.000000      ?              ?             1195.867       25.12170      ?        ?        345.6931 3.633526 ?              ?        
1 1 1 14 8  19 o 310.3408 2.769914 964.2029       17.18704      960.6606       27.14079      967.7452       21.08352      309.7268 4.381407 310.9547 3.390128 -1.227875      5.539828 
1 1 1 14 8  20 o 183.6789 2.199507 337.7898       8.118857      349.1250       13.04260      326.4546       9.663282      186.7394 3.492192 180.6184 2.675055 6.121002       4.399014 
1 1 1 14 8  21 o 72.20621 2.762618 52.52462       4.040300      60.47345       6.453995      44.57578       4.862104      77.69402 4.153470 66.71841 3.643751 10.97562       5.525236 
1 1 1 14 8  22 o 364.9870 3.523108 1336.140       25.73805      1343.225       43.41393      1329.056       27.66504      365.7273 5.935287 364.2468 3.797569 1.480530       7.046216 
1 1 1 14 8  23 o 161.0693 2.702037 260.5686       8.487252      234.8518       14.37449      286.2854       9.039845      153.0206 4.696913 169.1180 2.672644 -16.09743      5.404074 
1 1 1 14 8  24 o 84.47963 2.647291 71.55363       4.478124      72.54546       6.923699      70.52637       5.682492      85.05814 4.069980 83.90111 3.386422 1.157036       5.294581 
1 1 1 14 8  25 o 206.1779 2.393502 426.1338       9.882903      431.5889       15.19629      420.6787       12.63170      207.4554 3.662544 204.9004 3.082399 2.555023       4.787004 
1 1 1 14 8  26 o 96.07948 2.443616 92.66550       4.672239      86.71449       6.954871      98.61649       6.240043      92.96818 3.740458 99.19079 3.145475 -6.222610      4.887232 
1 1 1 14 8  27 o 74.70486 2.735935 56.17315       4.106186      61.73449       6.269798      50.60471       5.304887      78.40456 3.998364 71.00517 3.735564 7.399391       5.471869 
1 1 1 14 8  28 o 153.4052 2.275693 236.0561       6.983210      236.2687       10.69762      235.8436       8.976085      153.4334 3.486079 153.3769 2.926152 0.5650330E-01  4.551386 
1 1 1 14 8  29 o 95.59070 3.289384 92.09874       6.247128      90.18591       10.86765      93.94070       6.169907      94.42803 5.754462 96.75336 3.188472 -2.325333      6.578768 
1 1 1 14 8  30 o 59.35354 4.665739 35.83349       5.318347      32.09286       9.634944      39.58120       4.508587      55.93403 8.612775 62.77305 3.591181 -6.839024      9.331477 
1 1 1 14 8  31 o 50.26262 6.057123 26.76531       5.480583      19.60286       9.925409      33.92776       4.653111      42.45971 11.43244 58.06553 4.006776 -15.60582      12.11425 
1 1 1 14 8  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 8  33 o 24.89480 7.184593 2.821764       6.155029      1.674072       11.23604      3.970164       5.027174      27.52967 11.69377 22.25993 8.350409 5.269743       14.36919 
1 1 1 14 8  34 o 37.86434 6.669847 14.09111       5.931867      7.870899       10.71179      20.30423       5.097310      31.12916 12.05369 44.59952 5.714536 -13.47036      13.33969 
1 1 1 14 8  35 o 37.77799 6.823616 14.48784       5.997753      10.52051       10.92433      18.45517       4.956328      33.13728 12.33354 42.41870 5.842150 -9.281418      13.64723 
1 1 1 14 8  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 8  37 o 188.7784 3.062190 364.0025       11.53359      365.0652       20.47426      362.8690       10.61261      187.9110 5.447861 189.6459 2.798006 -1.734924      6.124380 
1 1 1 14 8  38 o 74.65248 4.405663 59.08488       6.660155      63.49144       12.39082      54.67831       4.894693      75.97195 8.154865 73.33300 3.337306 2.638954       8.811325 
1 1 1 14 8  39 o 64.84894 6.307659 49.37909       7.523758      49.56329       14.06277      49.20197       5.352353      60.73897 12.00356 68.95892 3.880828 -8.219948      12.61532 
1 1 1 14 8  40 o 48.64120 4.346711 26.12062       4.429241      32.95718       7.764632      19.27697       4.264171      54.50674 7.122635 42.77568 4.984341 11.73106       8.693422 
1 1 1 14 8  41 o 20.01463 4.955617 -0.4370439     3.713704      -8.473083      6.473125      7.601687       3.642151      14.54572 7.062055 25.48354 6.954132 -10.93782      9.911235 
1 1 1 14 8  42 o 21.87776 5.834703 5.843310       3.670489      7.105771       6.473832      4.582266       3.460787      23.81349 9.339738 19.94204 6.996022 3.871449       11.66941 
1 1 1 14 8  43 o 17.15049 4.885963 -0.9571185     3.520297      -7.346645      6.043094      5.433117       3.614521      13.59399 6.649504 20.70699 7.160633 -7.113005      9.771927 
1 1 1 14 9  0  o 360.1536 4.159657 1297.884       29.95334      1297.884       29.95334      1297.884       29.95334      360.1536 4.159657 360.1536 4.159657 0.000000       0.000000 
1 1 1 14 9  1  o 151.5724 2.195643 229.8218       6.665114      224.6501       8.784801      234.9935       10.02459      149.8686 2.930835 153.2762 3.270107 -3.407639      4.391286 
1 1 1 14 9  2  o 373.1193 3.124748 1392.816       23.34349      1404.860       37.15829      1380.773       28.26723      374.7113 4.958257 371.5272 3.804194 3.184113       6.249496 
1 1 1 14 9  3  o 480.3141 3.833573 2308.136       36.81824      2305.302       58.20640      2311.678       45.10712      479.9440 6.063873 480.6843 4.691970 -0.7402344     7.667147 
1 1 1 14 9  4  o 466.9043 3.745407 2181.323       34.93376      2161.487       54.92627      2201.160       43.18722      464.7477 5.909256 469.0609 4.603583 -4.313232      7.490814 
1 1 1 14 9  5  o 314.2633 2.768978 987.5818       17.39249      982.6226       27.43125      993.2495       21.38816      313.4057 4.376316 315.1209 3.393644 -1.715149      5.537956 
1 1 1 14 9  6  o 144.4261 2.141013 208.6391       6.196119      211.2603       9.897071      206.0178       7.452912      145.3295 3.405045 143.5226 2.596425 1.806915       4.282027 
1 1 1 14 9  7  o 227.5669 2.329704 518.0200       10.58427      512.4232       16.73363      523.6167       12.97884      226.3297 3.696738 228.8041 2.836233 -2.474426      4.659409 
1 1 1 14 9  8  o 620.8329 4.820190 3859.645       59.80750      3843.351       94.36578      3875.231       73.53729      619.4520 7.616876 622.2139 5.909327 -2.761902      9.640381 
1 1 1 14 9  9  f 139.4282 2.223494 194.5409       6.237210      202.6172       10.09544      186.4645       7.325392      142.3183 3.546781 136.5381 2.682545 5.780228       4.446988 
1 1 1 14 9  10 o 314.4629 2.966908 989.7072       18.66770      996.7917       28.52227      981.9142       24.10153      315.6332 4.518262 313.2926 3.846489 2.340607       5.933816 
1 1 1 14 9  11 o 185.4638 3.185768 344.1659       11.80989      339.2067       16.93908      349.1250       16.47150      184.1254 4.599875 186.8021 4.408811 -2.676651      6.371536 
1 1 1 14 9  12 o 83.60117 3.710298 70.22173       6.062222      61.44402       9.705790      78.99238       7.261631      78.34502 6.194261 88.85731 4.086119 -10.51229      7.420595 
1 1 1 14 9  13 o 149.1524 2.552684 222.5956       7.615856      222.5247       11.81698      222.5956       9.606606      149.1340 3.961865 149.1709 3.220001 -0.3684998E-01 5.105368 
1 1 1 14 9  14 o 167.9278 2.384038 282.1763       7.991336      277.1463       12.19245      287.1355       10.34340      166.4348 3.662832 169.4208 3.052575 -2.986023      4.768077 
1 1 1 14 9  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 9  16 f 250.6919 2.583507 628.8926       12.95050      627.7591       19.68787      629.9553       16.83282      250.4607 3.930332 250.9230 3.354178 -0.4623566     5.167013 
1 1 1 14 9  17 o 368.5219 3.273342 1359.519       24.12987      1362.353       36.55611      1356.685       31.50485      368.8776 4.955046 368.1661 4.278619 0.7115173      6.546684 
1 1 1 14 9  18 o 100.5099 2.500520 101.1669       5.039926      104.6383       7.750463      97.62466       6.445494      102.2472 3.790061 98.77250 3.262798 3.474716       5.001041 
1 1 1 14 9  19 o 283.8204 2.625157 806.9266       14.87749      794.8829       23.30098      818.2618       18.49767      281.7216 4.135461 285.9192 3.234773 -4.197571      5.250314 
1 1 1 14 9  20 f 104.0047 2.327650 108.3223       4.819597      104.4258       7.580434      112.2188       5.950995      102.1182 3.711599 105.8913 2.809955 -3.773125      4.655300 
1 1 1 14 9  21 o 312.7024 2.918742 979.7889       18.22846      960.6606       27.31790      998.9170       24.14404      309.6072 4.411703 315.7976 3.822708 -6.190338      5.837483 
1 1 1 14 9  22 o 253.3087 2.785914 642.9200       14.10528      641.5739       23.62687      644.2661       15.41591      252.9423 4.670406 253.6750 3.038516 -0.7326813     5.571828 
1 1 1 14 9  23 o 148.8520 2.821981 222.1705       8.338477      214.9443       14.00609      229.3258       9.061099      146.3672 4.784575 151.3368 2.993686 -4.969650      5.643962 
1 1 1 14 9  24 o 148.6379 2.174462 221.3203       6.458955      219.9743       10.27963      222.6664       7.821308      148.1505 3.469322 149.1253 2.622395 -0.9747925     4.348925 
1 1 1 14 9  25 o 71.16476 2.793595 50.88810       3.931199      47.06953       6.195411      54.71373       4.841560      68.44989 4.525508 73.87965 3.276653 -5.429756      5.587189 
1 1 1 14 9  26 o 110.7629 2.282742 123.0581       5.022215      117.1071       7.913406      129.0091       6.187618      108.0439 3.662126 113.4819 2.726257 -5.438026      4.565484 
1 1 1 14 9  27 o 158.0594 2.275416 250.5794       7.190785      249.7292       10.89599      251.4295       9.386987      157.7554 3.453445 158.3635 2.963747 -0.6081543     4.550832 
1 1 1 14 9  28 o 130.1401 2.314888 169.8867       6.036009      173.8541       9.323226      165.9902       7.672533      131.6111 3.541961 128.6691 2.981499 2.942017       4.629776 
1 1 1 14 9  29 o 115.0612 2.366901 132.9055       5.457204      136.2353       8.338477      129.6467       7.040594      116.4541 3.580158 113.6683 3.096991 2.785767       4.733802 
1 1 1 14 9  30 o 223.0109 2.541172 499.8835       11.31397      490.1778       17.27914      509.5185       14.60828      220.7510 3.913717 225.2707 3.242383 -4.519699      5.082345 
1 1 1 14 9  31 o 214.7338 3.038184 464.8152       12.87965      443.3491       22.29498      486.2105       12.88674      209.3504 5.324800 220.1171 2.927246 -10.76677      6.076369 
1 1 1 14 9  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 9  33 o 155.8436 3.163419 245.7619       9.989170      259.5059       17.59086      232.0888       9.472000      159.7521 5.505672 151.9350 3.117122 7.817123       6.326838 
1 1 1 14 9  34 o 60.68628 5.222167 38.17847       6.324349      38.78773       11.41316      37.56211       5.458621      60.49493 9.433152 60.87762 4.483274 -0.3826904     10.44433 
1 1 1 14 9  35 o 66.79425 5.144401 46.53820       6.605605      42.40792       11.85948      50.66847       5.823474      62.89177 9.428485 70.69673 4.118630 -7.804958      10.28880 
1 1 1 14 9  36 o 68.47260 4.950161 49.22322       6.890402      53.20473       12.51834      45.23465       5.768215      70.29053 8.904716 66.65466 4.326940 3.635864       9.900322 
1 1 1 14 9  37 o 71.60585 4.383275 54.06904       6.603478      63.39226       12.43333      44.73873       4.458995      76.75648 8.099204 66.45522 3.354888 10.30127       8.766549 
1 1 1 14 9  38 o 69.59344 5.224218 52.44669       6.667948      44.68914       12.34832      60.21132       5.045594      62.23456 9.920786 76.95233 3.278389 -14.71777      10.44844 
1 1 1 14 9  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 9  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 9  41 o 58.18368 4.440913 38.22097       5.328265      44.40576       9.812057      32.02911       4.158612      60.93889 8.050735 55.42847 3.751332 5.510426       8.881825 
1 1 1 14 9  42 o 29.63874 5.904842 10.64095       4.817472      7.587519       8.777717      13.69437       3.966621      24.40617 10.34992 34.87131 5.687515 -10.46514      11.80968 
1 1 1 14 10 0  o 912.9684 9.473213 8345.563       172.9331      8345.563       172.9331      8345.563       172.9331      912.9684 9.473213 912.9684 9.473213 -0.000000      0.000000 
1 1 1 14 10 1  o 195.8058 2.152904 383.4850       8.430575      379.1634       11.85948      387.8065       11.98701      194.7024 3.045541 196.9091 3.043792 -2.206650      4.305809 
1 1 1 14 10 2  f 389.6025 3.139887 1518.921       24.46993      1533.798       34.90542      1503.335       34.29615      391.5559 4.457272 387.6492 4.423607 3.906708       6.279775 
1 1 1 14 10 3  o 282.0101 2.606447 795.5914       14.66495      781.4223       23.03177      809.7604       18.17179      279.4884 4.120344 284.5318 3.193279 -5.043365      5.212894 
1 1 1 14 10 4  o 576.9241 4.518905 3331.849       52.15622      3343.893       82.74717      3319.097       63.54104      577.9298 7.158928 575.9183 5.516498 2.011536       9.037809 
1 1 1 14 10 5  o 306.9902 2.745881 942.9493       16.80448      917.4451       26.17729      968.4536       21.08352      302.8242 4.322193 311.1561 3.387933 -8.331909      5.491761 
1 1 1 14 10 6  o 410.1848 3.384279 1683.990       27.71463      1659.903       43.47060      1707.369       34.39534      407.2628 5.336922 413.1068 4.163008 -5.843933      6.768558 
1 1 1 14 10 7  o 224.3734 2.363456 503.6384       10.59135      499.2460       16.74780      507.9599       12.97884      223.3937 3.748495 225.3532 2.879666 -1.959518      4.726912 
1 1 1 14 10 8  o 111.5595 2.851766 124.6167       6.365439      131.8429       9.224042      117.3905       8.770633      114.7970 4.017547 108.3220 4.048407 6.474907       5.703532 
1 1 1 14 10 9  o 327.3204 2.922587 1071.888       19.14945      1079.681       30.50593      1064.095       23.15929      328.4908 4.643347 326.1500 3.550405 2.340790       5.845173 
1 1 1 14 10 10 o 330.8132 2.951936 1094.558       19.50368      1080.389       30.66888      1109.436       24.08736      328.6006 4.666590 333.0258 3.616441 -4.425262      5.903872 
1 1 1 14 10 11 o 201.8691 2.978204 408.0682       12.15703      430.8804       20.50968      385.1852       13.04968      207.5067 4.941931 196.2315 3.325074 11.27527       5.956409 
1 1 1 14 10 12 o 313.9461 2.886754 986.1649       18.11511      981.2057       28.73480      991.1240       22.06119      313.1342 4.588256 314.7580 3.504468 -1.623779      5.773508 
1 1 1 14 10 13 o 183.4409 2.623733 336.7980       9.627860      326.1712       13.41808      347.3539       13.80772      180.5555 3.715777 186.3264 3.705251 -5.770996      5.247465 
1 1 1 14 10 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 10 15 o 179.8983 2.771000 323.9041       9.911241      313.9858       16.37232      333.8933       11.17229      177.1087 4.622111 182.6879 3.057752 -5.579163      5.541999 
1 1 1 14 10 16 o 291.8000 3.001227 852.2675       17.52001      866.4365       25.15712      838.0985       24.38491      294.2239 4.275167 289.3760 4.213361 4.847870       6.002454 
1 1 1 14 10 17 o 431.5566 3.697513 1865.354       31.88741      1841.266       47.78507      1889.441       42.23081      428.7250 5.572928 434.3881 4.860954 -5.663055      7.395025 
1 1 1 14 10 18 o 77.45630 2.951230 60.13339       4.590059      63.87401       7.037760      56.39985       5.895027      79.85913 4.406359 75.05347 3.927218 4.805656       5.902461 
1 1 1 14 10 19 o 136.6300 2.597131 186.9604       7.105771      188.0231       11.58319      185.8269       8.225125      137.0022 4.227374 136.2578 3.018222 0.7443390      5.194262 
1 1 1 14 10 20 o 282.0178 2.937579 797.0083       16.57069      771.5040       23.06011      822.5125       23.80398      277.5043 4.154910 286.5313 4.153819 -9.027008      5.875158 
1 1 1 14 10 21 o 81.88956 2.743362 67.18957       4.500085      68.98195       6.805388      65.40427       5.890777      82.97107 4.101061 80.80804 3.644920 2.163025       5.486724 
1 1 1 14 10 22 o 132.2737 2.219586 175.2001       5.878025      176.6879       9.401155      173.7124       7.059722      132.8115 3.539286 131.7360 2.679496 1.075470       4.439172 
1 1 1 14 10 23 o 179.9133 2.239537 324.4001       8.005506      307.3972       12.44041      341.4738       10.08127      175.1483 3.551395 184.6784 2.729412 -9.530182      4.479074 
1 1 1 14 10 24 o 151.3585 2.188789 229.6092       6.596395      221.9579       10.37173      237.2605       8.154280      148.7959 3.485223 153.9211 2.648851 -5.125183      4.377578 
1 1 1 14 10 25 o 42.87187 4.037899 19.02193       3.467872      25.12878       5.494752      12.91508       4.232999      49.95224 5.500006 35.79150 5.913414 14.16074       8.075799 
1 1 1 14 10 26 o 173.6439 2.212165 302.2964       7.658363      294.1492       12.02951      310.5144       9.472000      171.2370 3.512533 176.0508 2.690132 -4.813858      4.424331 
1 1 1 14 10 27 o 178.1315 2.243804 318.3782       7.948828      306.0512       12.49000      330.7053       9.847479      174.6094 3.576555 181.6535 2.710511 -7.044113      4.487607 
1 1 1 14 10 28 o 120.0901 2.260110 144.9492       5.491210      157.0638       8.997337      132.8347       6.302387      125.0649 3.597067 115.1152 2.737426 9.949730       4.520221 
1 1 1 14 10 29 o 88.33445 2.635538 78.92152       4.589351      66.44569       6.687785      91.31944       6.286801      81.28237 4.113921 95.38653 3.295435 -14.10416      5.271075 
1 1 1 14 10 30 o 39.79076 6.514652 15.69221       5.754754      7.729208       10.27963      23.65520       5.176658      31.21720 11.87947 48.36433 5.351731 -17.14713      13.02930 
1 1 1 14 10 31 o 66.65066 3.855474 45.28424       5.029299      38.45476       7.679617      52.11371       6.492960      61.45359 6.248307 71.84772 4.518557 -10.39414      7.710947 
1 1 1 14 10 32 o 95.81392 4.034308 93.72817       7.948828      102.9380       14.60828      84.51830       6.280425      99.99154 7.304757 91.63630 3.426822 8.355240       8.068617 
1 1 1 14 10 33 o 20.87638 6.496624 -3.452994      5.975791      -8.848563      10.79680      1.942575       5.130608      21.64802 10.11412 20.10473 8.156541 1.543297       12.99325 
1 1 1 14 10 34 o 27.00534 7.259759 3.698118       6.320098      -1.018754      11.19354      8.416408       5.875190      25.65689 11.28883 28.35379 9.131201 -2.696898      14.51952 
1 1 1 14 10 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 10 36 o 64.88417 5.432228 44.55453       6.806805      40.55178       11.78155      48.55729       6.819557      60.91776 9.670048 68.85059 4.952432 -7.932827      10.86446 
1 1 1 14 10 37 o 34.21007 6.404640 10.20170       6.127400      2.461161       11.38482      17.94508       4.537633      26.82029 11.59019 41.59985 5.453906 -14.77956      12.80928 
1 1 1 14 10 38 o 26.51783 7.399483 8.338477       6.334267      16.42900       11.92324      0.2503669      4.273381      36.43881 12.96513 16.59686 7.135454 19.84195       14.79897 
1 1 1 14 10 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 10 40 o 80.34892 4.280812 70.78851       6.134484      56.05979       11.22896      85.51013       4.944993      69.10165 8.124959 91.59621 2.699344 -22.49456      8.561625 
1 1 1 14 10 41 o 18.40933 5.979046 2.035382       4.914530      5.988543       9.245295      -1.917779      3.338933      24.42740 10.49844 12.39126 5.725265 12.03613       11.95809 
1 1 1 14 10 42 o 28.81827 6.422072 10.77555       5.175949      6.872690       8.997337      14.68620       5.117147      23.69233 10.27181 33.94421 7.711155 -10.25189      12.84414 
1 1 1 14 11 0  o 95.48466 3.397158 91.53197       6.469582      91.53197       6.469582      91.53197       6.469582      95.48466 3.397158 95.48466 3.397158 0.000000       0.000000 
1 1 1 14 11 1  o 625.3170 4.704550 3914.905       58.83692      3912.780       83.17223      3916.322       83.24309      625.1757 6.651910 625.4583 6.654567 -0.2826538     9.409101 
1 1 1 14 11 2  o 357.4619 2.962198 1278.755       21.18271      1265.295       29.69122      1291.508       30.20838      355.6301 4.174452 359.2938 4.203856 -3.663696      5.924395 
1 1 1 14 11 3  o 330.7703 2.815449 1094.558       18.62520      1098.100       26.40400      1091.016       26.27648      331.3055 3.984842 330.2352 3.978449 1.070251       5.630898 
1 1 1 14 11 4  o 203.0096 2.231953 412.2481       9.061099      415.0110       12.88674      409.4851       12.74505      203.6898 3.163324 202.3294 3.149578 1.360382       4.463907 
1 1 1 14 11 5  f 136.3225 2.300926 186.1811       6.342769      200.7752       10.34340      171.5870       7.339560      141.6684 3.650567 130.9766 2.801859 10.69174       4.601853 
1 1 1 14 11 6  o 657.6672 5.122160 4331.474       67.48003      4388.150       107.8264      4275.507       81.18858      661.8148 8.146264 653.5197 6.211640 8.295166       10.24432 
1 1 1 14 11 7  o 314.0736 2.873196 986.8733       18.06552      993.2495       28.77023      980.4973       21.84865      315.0698 4.565691 313.0774 3.489337 1.992401       5.746391 
1 1 1 14 11 8  o 181.1295 2.405782 328.2257       8.728126      332.2639       14.04151      324.1167       10.37882      182.2459 3.852353 180.0130 2.882797 2.232956       4.811564 
1 1 1 14 11 9  o 361.1989 3.155744 1304.968       22.79089      1302.843       36.14521      1307.802       27.77131      360.8316 5.008598 361.5662 3.840419 -0.7345886     6.311487 
1 1 1 14 11 10 o 79.50404 3.687566 63.61897       5.693118      53.87067       9.075267      73.39561       6.879775      73.35656 6.185723 85.65151 4.016143 -12.29495      7.375133 
1 1 1 14 11 11 o 318.9756 2.918974 1018.045       18.63937      1024.421       29.70539      1011.669       22.51460      319.9504 4.642185 318.0008 3.540023 1.949677       5.837948 
1 1 1 14 11 12 o 265.7787 2.743721 706.8932       14.57994      703.7051       22.16037      709.8687       18.95109      265.1873 4.178249 266.3702 3.557284 -1.182861      5.487443 
1 1 1 14 11 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 11 14 o 195.0748 2.329552 380.7220       9.110690      386.8855       14.54451      374.6293       10.96683      196.6320 3.698411 193.5176 2.833550 3.114426       4.659104 
1 1 1 14 11 15 o 454.6672 4.265081 2070.805       38.75231      2064.428       65.63806      2077.181       41.21064      453.7952 7.232123 455.5392 4.523282 -1.743958      8.530163 
1 1 1 14 11 16 o 240.1204 3.091653 577.2465       14.88457      564.0693       18.42683      590.4237       23.37891      237.4055 3.880878 242.8353 4.813737 -5.429886      6.183306 
1 1 1 14 11 17 o 85.94972 2.769406 73.96236       4.752295      72.61631       7.212039      75.30843       6.193994      85.15942 4.234434 86.74003 3.570436 -1.580612      5.538813 
1 1 1 14 11 18 o 383.2244 3.386391 1471.454       25.95767      1474.997       39.38284      1468.620       33.82858      383.5773 5.133624 382.8714 4.417747 0.7059631      6.772782 
1 1 1 14 11 19 o 119.4807 2.671710 142.9656       6.417156      147.3580       10.55593      138.6440       7.297054      121.2726 4.352151 117.6888 3.100147 3.583740       5.343420 
1 1 1 14 11 20 o 158.6864 2.446496 252.3505       7.757547      239.8818       10.90307      264.7484       11.04476      154.7702 3.522341 162.6026 3.396245 -7.832321      4.892992 
1 1 1 14 11 21 o 58.29942 3.430767 34.09778       3.994251      33.50977       6.059388      34.67871       5.206412      57.78481 5.243063 58.81404 4.426165 -1.029232      6.861534 
1 1 1 14 11 22 o 102.7064 2.471622 105.7719       5.093768      110.7310       7.800055      100.7418       6.552470      105.1218 3.710008 100.2911 3.266727 4.830727       4.943244 
1 1 1 14 11 23 o 141.7719 2.229997 201.4837       6.290343      193.3365       9.868733      209.5600       7.800055      138.8808 3.552951 144.6631 2.695938 -5.782288      4.459994 
1 1 1 14 11 24 f 143.7810 2.818382 207.7889       7.934660      191.9904       13.68729      223.5165       8.040927      138.1791 4.952734 149.3828 2.691383 -11.20366      5.636765 
1 1 1 14 11 25 o 74.26753 2.743695 55.57096       4.125315      62.47128       6.609147      48.67064       4.937201      78.87453 4.189658 69.66054 3.543757 9.213997       5.487390 
1 1 1 14 11 26 o 96.11943 2.425396 92.73634       4.684991      96.20776       7.516674      89.26492       5.593935      97.87802 3.839817 94.36085 2.964119 3.517174       4.850793 
1 1 1 14 11 27 o 98.27097 2.428463 96.91621       4.758671      94.86169       7.516674      98.97072       5.839059      97.18379 3.867246 99.35815 2.938390 -2.174355      4.856926 
1 1 1 14 11 28 o 122.1603 2.284955 149.8376       5.615897      156.7095       9.054014      143.0364       6.647403      124.8889 3.624826 119.4316 2.782933 5.457321       4.569910 
1 1 1 14 11 29 o 114.0896 2.364236 130.8510       5.444452      139.5650       8.876901      122.1371       6.308055      117.8297 3.766835 110.3495 2.858216 7.480186       4.728472 
1 1 1 14 11 30 o 21.79999 5.861057 3.070430       3.678282      1.239082       5.778841      4.901778       4.551803      20.56777 8.540910 23.03222 8.028749 -2.464447      11.72211 
1 1 1 14 11 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 11 32 o 92.58122 4.084024 88.06055       7.835476      104.1424       13.64478      71.97870       7.715039      100.8010 6.768180 84.36147 4.572609 16.43951       8.168048 
1 1 1 14 11 33 o 93.95166 4.053479 90.25676       7.729208      97.12873       13.31889      83.45561       7.849646      97.09394 6.858767 90.80939 4.322045 6.284554       8.106957 
1 1 1 14 11 34 o 99.97858 3.973533 102.5838       8.104689      112.2896       14.17612      92.94887       7.863815      104.1562 6.805220 95.80093 4.104248 8.355301       7.947066 
1 1 1 14 11 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 11 36 o 71.06554 4.829672 53.25432       6.936451      56.71865       12.39082      49.78999       6.239335      72.35732 8.562245 69.77375 4.471119 2.583565       9.659345 
1 1 1 14 11 37 f 184.0829 4.264544 356.4929       15.16795      341.8280       28.72064      371.0870       9.783719      176.4500 8.138464 191.7159 2.551620 -15.26590      8.529089 
1 1 1 14 11 38 o 60.28622 8.108640 45.80849       9.741212      52.32625       18.87316      39.29073       4.834475      58.76505 15.73864 61.80740 3.910919 -3.042343      16.21728 
1 1 1 14 11 39 o 74.35907 6.570845 64.91544       8.933578      66.26858       17.15162      63.56229       5.022215      69.85280 12.75013 78.86535 3.184044 -9.012550      13.14169 
1 1 1 14 11 40 o 32.99261 7.150468 14.04151       6.912364      16.31564       13.35432      11.76738       3.577682      32.91208 13.23867 33.07315 5.408741 -0.1610641     14.30094 
1 1 1 14 11 41 o 58.50084 6.947561 45.08587       7.587519      49.45702       14.65787      40.70764       3.949619      54.27912 13.53372 62.72256 3.148484 -8.443436      13.89512 
1 1 1 14 11 42 o 27.24786 7.111013 13.07802       6.574432      17.94508       12.62461      8.203872       3.678282      29.07329 12.37371 25.42243 7.011225 3.650864       14.22203 
1 1 1 14 12 0  o 140.7480 3.207512 198.4373       9.018591      198.4373       9.018591      198.4373       9.018591      140.7480 3.207512 140.7480 3.207512 -0.000000      0.000000 
1 1 1 14 12 1  o 155.1526 2.252875 240.8028       6.991002      237.6856       9.826226      243.9199       9.946663      154.1483 3.187263 156.1569 3.184830 -2.008560      4.505751 
1 1 1 14 12 2  o 139.0083 2.278446 193.3365       6.334976      196.2411       9.039845      190.3610       8.876901      140.0655 3.227006 137.9512 3.217406 2.114288       4.556893 
1 1 1 14 12 3  o 500.7796 4.552033 2510.753       45.59596      2489.500       63.76067      2532.007       65.19173      498.6640 6.393148 502.8953 6.481641 -4.231262      9.104066 
1 1 1 14 12 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 5  o 274.9504 2.601735 756.6265       14.30364      764.4195       20.42466      748.1251       20.04210      276.4311 3.694350 273.4698 3.664408 2.961273       5.203471 
1 1 1 14 12 6  o 993.4518 7.302741 9897.071       145.0909      10003.34       207.2930      9790.804       203.1131      998.7722 10.37739 988.1313 10.27764 10.64087       14.60548 
1 1 1 14 12 7  o 124.0206 2.714829 153.8757       6.737377      155.7885       9.953747      151.9629       9.082352      124.7896 3.988211 123.2516 3.684476 1.538017       5.429658 
1 1 1 14 12 8  o 805.6292 6.184975 6503.587       99.60831      6479.500       157.2054      6528.383       122.3496      803.9061 9.777601 807.3522 7.577215 -3.446167      12.36995 
1 1 1 14 12 9  o 496.6712 4.035474 2468.955       40.10546      2479.581       63.73232      2459.036       48.70606      497.6398 6.403459 495.7025 4.912832 1.937317       8.070948 
1 1 1 14 12 10 o 67.36471 3.878138 46.03519       5.308429      56.56987       8.572267      35.50760       6.263422      75.17006 5.701916 59.55935 5.258135 15.61071       7.756277 
1 1 1 14 12 11 o 314.0929 2.889614 986.8733       18.18596      1001.042       29.15988      973.4128       21.74238      316.2631 4.610066 311.9227 3.485220 4.340424       5.779228 
1 1 1 14 12 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 13 o 277.2717 2.642468 769.3787       14.61536      753.0842       22.91842      785.6730       18.14345      274.3129 4.177422 280.2306 3.237236 -5.917633      5.284936 
1 1 1 14 12 14 o 182.2828 2.288327 332.6181       8.402238      349.6209       13.63770      315.6861       9.819141      186.9223 3.647958 177.6433 2.763724 9.279053       4.576654 
1 1 1 14 12 15 o 195.1186 2.320424 380.9345       9.082352      388.7275       14.65787      373.2124       10.72596      197.0896 3.718580 193.1476 2.776622 3.941940       4.640848 
1 1 1 14 12 16 o 140.8204 2.291152 198.5082       6.481626      205.3093       10.46383      191.7071       7.658363      143.2195 3.653076 138.4213 2.766324 4.798141       4.582304 
1 1 1 14 12 17 o 55.62755 3.722018 31.26398       4.014796      25.77348       6.267673      36.75448       5.020798      50.67783 6.183842 60.57726 4.144127 -9.899433      7.444037 
1 1 1 14 12 18 o 73.94926 2.917610 54.82709       4.344935      58.04346       6.946370      51.61071       5.221290      76.10600 4.563615 71.79252 3.636375 4.313477       5.835221 
1 1 1 14 12 19 o 215.3952 2.479356 464.7444       10.71888      481.6056       16.69112      447.8832       13.44641      219.2775 3.805936 211.5130 3.178626 7.764511       4.958711 
1 1 1 14 12 20 o 107.6543 2.501252 116.0444       5.382108      114.8400       8.118857      117.3196       7.064682      107.0668 3.791492 108.2418 3.263380 -1.174995      5.002505 
1 1 1 14 12 21 o 117.5362 2.409101 138.4315       5.682492      144.0991       8.820225      132.7639       7.169532      119.9275 3.677315 115.1449 3.113266 4.782616       4.818202 
1 1 1 14 12 22 o 71.94878 3.223766 52.07829       4.621231      46.99161       6.548220      57.15789       6.522716      68.41581 4.785604 75.48175 4.320724 -7.065941      6.447532 
1 1 1 14 12 23 o 133.8708 2.516003 179.6634       6.731709      178.6715       10.68345      180.7260       8.189702      133.4403 4.003083 134.3014 3.049002 -0.8610382     5.032006 
1 1 1 14 12 24 f 96.10537 2.564218 92.66550       4.940034      95.21592       7.552096      90.11507       6.366147      97.40707 3.876565 94.80367 3.357543 2.603409       5.128435 
1 1 1 14 12 25 o 21.20864 5.661361 3.298552       3.366563      5.469248       5.319765      1.127855       4.128149      24.63585 8.670747 17.78144 7.281633 6.854406       11.32272 
1 1 1 14 12 26 f 138.9197 2.255334 193.6199       6.276883      196.3120       9.996255      190.8569       7.594603      139.8446 3.574058 137.9949 2.751770 1.849731       4.510668 
1 1 1 14 12 27 o 138.7093 2.267917 193.0531       6.303096      196.0286       10.02459      190.0776       7.644195      139.7208 3.587366 137.6978 2.775714 2.022980       4.535833 
1 1 1 14 12 28 o 20.24469 5.736495 2.004919       3.579099      3.640025       5.392735      0.3695285      4.707662      22.47789 8.589506 18.01149 7.605911 4.466402       11.47299 
1 1 1 14 12 29 o 70.30005 3.187977 50.12296       4.405153      42.22372       6.525549      58.02220       5.919114      64.65530 5.046415 75.94479 3.896985 -11.28948      6.375955 
1 1 1 14 12 30 o 22.69882 6.254675 2.867813       4.291801      6.637485       6.455412      -0.9025675     5.657696      26.87165 9.541986 18.52600 8.089149 8.345654       12.50935 
1 1 1 14 12 31 o 43.14346 5.329718 19.56035       4.451911      17.58377       6.594269      21.52985       5.981458      40.43325 8.431058 45.85366 6.522335 -5.420414      10.65944 
1 1 1 14 12 32 o 67.87569 3.755291 46.85700       5.125648      49.50661       8.104689      44.21448       6.280425      69.68575 5.815169 66.06563 4.753171 3.620117       7.510581 
1 1 1 14 12 33 o 172.3276 4.459671 304.9885       15.17504      300.2419       28.08303      309.8059       11.50526      169.2936 8.294179 175.3616 3.280438 -6.067963      8.919343 
1 1 1 14 12 34 o 44.68222 8.362137 22.02577       8.947746      22.22413       16.89658      21.82740       5.909196      43.45112 15.43664 45.91332 6.435165 -2.462200      16.72427 
1 1 1 14 12 35 o 40.83121 8.221380 16.99576       9.046929      13.89274       17.15162      20.09169       5.767506      37.73351 15.07549 43.92891 6.564590 -6.195396      16.44276 
1 1 1 14 12 36 o 41.41454 7.933186 17.17996       9.096521      10.77555       17.29331      23.57727       5.652737      35.23948 14.71290 47.58961 5.939046 -12.35012      15.86637 
1 1 1 14 12 37 o 52.29967 7.906900 34.05528       8.905238      42.91801       17.27205      25.19963       4.361229      55.14082 15.18675 49.45853 4.408976 5.682293       15.81380 
1 1 1 14 12 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 12 40 o 21.56661 6.446922 5.514588       5.027174      9.840395       9.436578      1.190199       3.462204      27.50908 11.10239 15.62414 6.556544 11.88493       12.89384 
1 1 1 14 12 41 o 29.35572 6.781426 12.10744       6.742336      13.36848       13.04260      10.84640       3.422530      28.04735 12.26390 30.66409 5.792032 -2.616739      13.56285 
1 1 1 14 13 0  o 255.3815 3.600988 652.6967       18.38432      652.6967       18.38432      652.6967       18.38432      255.3815 3.600988 255.3815 3.600988 -0.000000      0.000000 
1 1 1 14 13 1  o 163.1137 2.369343 266.1653       7.729208      271.4787       11.08019      260.8520       10.78264      164.7418 3.362895 161.4856 3.338575 3.256180       4.738687 
1 1 1 14 13 2  o 147.9789 2.472919 219.0533       7.318307      221.3912       10.44966      216.7154       10.25130      148.7684 3.512058 147.1894 3.482350 1.578995       4.945838 
1 1 1 14 13 3  o 218.8540 2.450067 479.2677       10.72596      496.1288       15.56469      462.4065       14.77122      222.7044 3.494473 215.0037 3.435109 7.700729       4.900134 
1 1 1 14 13 4  o 428.7592 3.482048 1839.849       29.86124      1837.015       42.22372      1841.975       42.23081      428.4701 4.927267 429.0483 4.921452 -0.5782776     6.964097 
1 1 1 14 13 5  o 232.0963 2.533632 539.0609       11.76738      557.4099       17.08077      520.6412       16.18812      236.0547 3.617970 228.1379 3.547882 7.916794       5.067265 
1 1 1 14 13 6  o 472.1750 3.764479 2230.915       35.55011      2243.667       50.51970      2218.871       50.03086      473.4861 5.334866 470.8640 5.312666 2.622070       7.528958 
1 1 1 14 13 7  o 549.4188 4.256694 3022.255       46.78616      3081.765       67.31001      2962.745       64.99337      554.8238 6.065890 544.0138 5.973504 10.81000       8.513388 
1 1 1 14 13 8  f 256.9081 2.589449 660.3479       13.30472      668.9202       19.02193      651.7756       18.61103      258.5751 3.678221 255.2410 3.645776 3.334152       5.178899 
1 1 1 14 13 9  o 216.4078 2.423338 468.5700       10.48509      477.4256       14.84915      459.7144       14.81373      218.4538 3.398694 214.3619 3.455308 4.091888       4.846677 
1 1 1 14 13 10 o 46.71707 4.806068 21.91241       4.546844      24.00943       7.424574      19.82248       5.253878      48.94286 7.584941 44.49128 5.904390 4.451580       9.612136 
1 1 1 14 13 11 o 509.5162 4.099900 2600.018       41.71364      2566.721       65.48928      2633.315       51.68156      506.1611 6.469213 512.8713 5.038453 -6.710144      8.199800 
1 1 1 14 13 12 o 291.2858 2.744381 848.7253       15.97559      843.7661       25.34840      854.3929       19.44700      290.3473 4.365187 292.2244 3.327409 -1.877106      5.488762 
1 1 1 14 13 13 o 158.2699 2.317310 250.6502       7.353730      255.8928       11.79572      245.4077       8.791886      159.9143 3.688138 156.6254 2.806661 3.288971       4.634621 
1 1 1 14 13 14 o 222.1571 2.813023 494.0034       12.44041      484.2976       21.10478      503.7092       13.18429      219.9316 4.798033 224.3826 2.937903 -4.451035      5.626047 
1 1 1 14 13 15 o 209.0741 2.478575 437.5398       10.35048      428.7550       15.59302      446.3246       13.60936      206.9611 3.767139 211.1871 3.222109 -4.226028      4.957149 
1 1 1 14 13 16 o 175.7251 2.285909 309.0975       8.048012      312.0730       12.83006      306.1220       9.705790      176.5487 3.633576 174.9015 2.774644 1.647186       4.571819 
1 1 1 14 13 17 o 101.8283 2.514535 103.7882       5.127066      104.6383       8.189702      103.0089       6.167781      102.2105 4.006294 101.4462 3.039927 0.7642593      5.029070 
1 1 1 14 13 18 o 201.0974 2.340309 405.0219       9.365732      390.2152       14.69329      419.8285       11.62569      197.3884 3.721924 204.8065 2.838214 -7.418106      4.680617 
1 1 1 14 13 19 o 198.2075 2.338167 393.4033       9.280719      397.6540       14.86332      389.1526       11.12269      199.2421 3.729965 197.1730 2.820542 2.069092       4.676333 
1 1 1 14 13 20 o 67.71083 3.126291 45.97852       4.215288      44.66788       6.733834      47.28916       5.072515      66.71833 5.046464 68.70333 3.691608 -1.985001      6.252581 
1 1 1 14 13 21 o 255.8370 2.665738 656.0264       13.63770      653.2634       20.72930      658.7893       17.71838      255.2515 4.060564 256.4226 3.454918 -1.171082      5.331476 
1 1 1 14 13 22 o 78.78549 3.098210 62.41460       4.884775      67.46586       7.162447      57.36334       6.643860      81.97973 4.368426 75.59126 4.394596 6.388474       6.196420 
1 1 1 14 13 23 o 192.7430 2.656505 372.7165       10.24421      374.9836       16.50693      370.4494       12.14995      193.2374 4.271152 192.2486 3.159957 0.9887848      5.313010 
1 1 1 14 13 24 f 129.2740 2.596514 167.9739       6.694161      154.3716       9.493254      181.5053       9.443663      124.0256 3.827134 134.5225 3.510069 -10.49685      5.193027 
1 1 1 14 13 25 o 139.5527 2.535953 195.6035       7.069641      187.5980       10.14503      203.5382       9.847479      136.6893 3.710981 142.4162 3.457290 -5.726868      5.071906 
1 1 1 14 13 26 o 196.4152 2.594529 387.3814       10.20170      396.9455       14.96959      377.8173       13.85732      198.8198 3.764611 194.0107 3.571277 4.809143       5.189058 
1 1 1 14 13 27 o 151.7160 2.410729 231.1678       7.332476      236.5520       11.42024      225.7836       9.195704      153.4229 3.721819 150.0091 3.065048 3.413727       4.821458 
1 1 1 14 13 28 o 24.31440 5.880415 3.894360       3.994960      -1.221371      6.298845      9.011506       4.915238      19.41229 8.505152 29.21651 8.122778 -9.804220      11.76083 
1 1 1 14 13 29 o 78.28757 3.454066 62.25166       5.210663      52.12080       8.487252      72.40377       6.047344      71.69816 5.918738 84.87698 3.562417 -13.17882      6.908132 
1 1 1 14 13 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 13 31 o 91.15814 3.046238 84.16407       5.433825      74.45828       8.685618      93.94070       6.534760      85.69310 5.067864 96.62318 3.381569 -10.93008      6.092475 
1 1 1 14 13 32 o 31.11993 6.176332 10.56302       4.066513      12.53960       6.636776      8.586436       4.699870      33.92124 9.441253 28.31863 7.965615 5.602612       12.35266 
1 1 1 14 13 33 o 62.15638 5.303545 40.53761       6.858521      46.64446       12.61753      34.43076       5.387067      66.09621 9.544818 58.21655 4.626750 7.879662       10.60709 
1 1 1 14 13 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 13 35 o 38.98033 7.133533 15.53635       6.825933      8.827310       12.29872      22.23830       5.919114      31.81992 12.74391 46.14074 6.414196 -14.32081      14.26707 
1 1 1 14 13 36 o 61.82442 5.606601 41.79157       7.141194      47.91968       12.89382      35.66346       6.138735      65.01264 9.916397 58.63620 5.234594 6.376438       11.21320 
1 1 1 14 13 37 o 30.18582 8.847811 12.14995       9.514507      21.33148       18.37016      2.964162       4.978291      39.97276 15.71709 20.39889 8.130692 19.57387       17.69562 
1 1 1 14 13 38 o 35.64068 7.467401 16.74780       9.734127      13.56685       18.74563      19.92875       5.262380      29.32148 13.55457 41.95989 6.270727 -12.63841      14.93480 
1 1 1 14 13 39 o 21.24236 6.562763 0.4183408      6.794761      -2.636858      13.09219      3.473539       3.643567      23.54330 11.03409 18.94141 7.108321 4.601891       13.12553 
1 1 1 14 13 40 o 31.57665 6.536770 11.68237       6.655904      9.521592       12.81589      13.83606       3.597518      27.39774 12.06687 35.75557 5.030710 -8.357822      13.07354 
1 1 1 14 13 41 o 20.39294 6.279006 4.670823       4.883358      10.30797       8.706873      -0.9634944     4.423573      26.01806 10.60152 14.76782 6.731374 11.25025       12.55801 
1 1 1 14 14 0  o 719.9150 7.653139 5188.701       110.1643      5188.701       110.1643      5188.701       110.1643      719.9150 7.653139 719.9150 7.653139 -0.000000      0.000000 
1 1 1 14 14 1  o 167.3035 2.602744 279.9801       8.706873      282.6723       12.40499      277.3589       12.22788      168.0970 3.689832 166.5099 3.671817 1.587067       5.205487 
1 1 1 14 14 2  f 331.9992 2.978991 1103.059       19.78706      1068.345       27.26122      1137.774       28.69230      326.7754 4.171248 337.2230 4.254202 -10.44760      5.957982 
1 1 1 14 14 3  o 230.8736 2.610830 533.3225       12.05785      546.7122       17.25788      519.9327       16.83990      233.7722 3.691175 227.9749 3.693366 5.797318       5.221660 
1 1 1 14 14 4  o 364.1093 3.141697 1326.930       22.87591      1334.723       32.46126      1318.429       32.24873      365.2274 4.443980 362.9913 4.442080 2.236115       6.283393 
1 1 1 14 14 5  o 285.1064 2.734391 813.3027       15.59302      825.3463       22.27372      801.2590       21.82740      287.2171 3.877507 282.9957 3.856490 4.221405       5.468782 
1 1 1 14 14 6  o 167.8761 2.607762 282.4597       8.713958      305.3427       12.02243      259.5059       12.62461      174.7040 3.440799 161.0481 3.919514 13.65588       5.215524 
1 1 1 14 14 7  o 265.9838 2.608460 708.0267       13.87857      695.9830       19.42575      719.7870       19.82248      263.7478 3.682636 268.2198 3.695193 -4.471985      5.216921 
1 1 1 14 14 8  o 456.6443 3.648154 2087.807       33.33266      2033.257       46.07771      2142.358       48.16764      450.6820 5.111997 462.6066 5.206113 -11.92456      7.296309 
1 1 1 14 14 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 14 10 o 111.8531 2.525742 125.1834       5.652737      121.0744       7.807138      129.3633       8.175533      110.0020 3.548636 113.7042 3.595089 -3.702225      5.051483 
1 1 1 14 14 11 o 435.6475 3.763701 1900.068       32.78715      1902.902       43.13054      1897.942       49.40034      435.9713 4.946489 435.3236 5.673979 0.6476440      7.527402 
1 1 1 14 14 12 o 102.8769 2.568378 105.9844       5.313388      110.2351       8.565183      101.6628       6.290343      104.9500 4.080602 100.8039 3.120090 4.146095       5.136757 
1 1 1 14 14 13 o 74.24394 3.044049 55.18131       4.534091      56.27233       7.325392      54.09738       5.341018      74.96436 4.885917 73.52353 3.632183 1.440826       6.088098 
1 1 1 14 14 14 o 137.4859 2.398892 189.1566       6.582225      186.7479       10.62678      191.6362       7.771716      136.5793 3.890332 138.3924 2.807855 -1.813095      4.797784 
1 1 1 14 14 15 o 338.2888 3.382089 1146.983       22.89008      1120.771       31.83782      1173.196       32.88633      334.4262 4.760067 342.1514 4.805815 -7.725250      6.764178 
1 1 1 14 14 16 o 221.5711 2.434498 491.5238       10.78972      492.2323       17.18704      490.8154       13.04968      221.6954 3.876273 221.4468 2.946460 0.2486420      4.868996 
1 1 1 14 14 17 o 114.9125 2.465860 132.3388       5.713664      140.0609       9.273635      124.6167       6.674324      118.2477 3.921273 111.5772 2.990901 6.670593       4.931721 
1 1 1 14 14 18 o 124.9284 2.368301 156.3553       5.952412      162.9439       9.620775      149.7667       7.009422      127.5388 3.771705 122.3179 2.865247 5.220879       4.736602 
1 1 1 14 14 19 o 242.2840 2.515380 588.0150       12.21371      597.0832       19.58869      579.0176       14.59411      244.0889 4.012614 240.4792 3.034381 3.609772       5.030759 
1 1 1 14 14 20 o 387.0302 3.953741 1505.460       30.73264      1543.717       50.94477      1467.204       34.39534      391.6188 6.504382 382.4417 4.496808 9.177124       7.907482 
1 1 1 14 14 21 o 143.4556 2.404163 206.2303       6.905988      208.9933       10.63386      203.5382       8.813140      144.3764 3.682687 142.5349 3.091573 1.841522       4.808327 
1 1 1 14 14 22 o 134.9096 2.424862 182.7097       6.505713      169.0366       9.634944      196.4537       8.742295      129.8117 3.711123 140.0074 3.122082 -10.19572      4.849725 
1 1 1 14 14 23 f 45.22820 4.630927 21.69988       4.069347      29.71955       6.457538      13.68020       4.952786      54.28861 5.947415 36.16780 7.100012 18.12081       9.261853 
1 1 1 14 14 24 o 112.3748 2.966733 126.8837       6.651654      124.3333       10.36465      129.5050       8.338477      111.1648 4.661839 113.5847 3.670597 -2.419922      5.933466 
1 1 1 14 14 25 o 37.50039 5.686193 14.77122       4.340684      7.289969       6.772799      22.25956       5.430283      28.05205 9.792123 46.94874 5.783205 -18.89669      11.37239 
1 1 1 14 14 26 o 38.14209 5.342425 16.29439       4.184116      25.95059       6.839394      6.645278       4.821014      50.54274 6.765951 25.74143 8.269700 24.80131       10.68485 
1 1 1 14 14 27 o 213.7770 2.864285 459.5727       12.25622      462.8315       20.08461      456.3138       14.05568      214.3338 4.685357 213.2201 3.296050 1.113693       5.728570 
1 1 1 14 14 28 o 61.66298 3.821508 38.46893       4.728916      39.58120       7.509589      37.35666       5.746252      62.47178 6.010385 60.85418 4.721330 1.617599       7.643015 
1 1 1 14 14 29 o 77.66127 3.444456 60.98354       5.348811      61.01187       8.465999      60.95520       6.538302      77.57037 5.456980 77.75218 4.204578 -0.1818161     6.888912 
1 1 1 14 14 30 f 193.0547 2.547153 375.4794       9.804973      366.5529       15.47259      384.3351       12.03660      190.5811 4.059318 195.5283 3.077968 -4.947144      5.094306 
1 1 1 14 14 31 o 70.52095 3.411236 50.68972       4.694910      42.84716       7.240376      58.53228       5.979333      64.87486 5.580265 76.16704 3.925145 -11.29218      6.822471 
1 1 1 14 14 32 o 95.32271 2.788322 92.02789       5.365814      100.1042       8.593520      83.95154       6.429908      99.41153 4.322195 91.23389 3.523860 8.177643       5.576644 
1 1 1 14 14 33 o 59.74058 3.991585 36.66946       4.789134      37.88800       7.899237      35.44384       5.417531      60.47060 6.531470 59.01056 4.590307 1.460041       7.983171 
1 1 1 14 14 34 o 36.68203 8.770892 18.46225       8.820225      31.73864       16.91783      5.192243       4.995294      49.95256 15.40761 23.41149 8.385683 26.54107       17.54178 
1 1 1 14 14 35 o 44.27351 8.341472 23.01051       8.664365      25.06503       16.18812      20.94892       6.202496      44.01079 15.16019 44.53622 6.963428 -0.5254250     16.68294 
1 1 1 14 14 36 f 55.51891 8.469336 37.89508       9.840395      30.75389       18.49059      45.02919       6.751545      45.27757 16.14206 65.76025 5.133454 -20.48269      16.93867 
1 1 1 14 14 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 14 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 14 39 o 45.80045 6.285153 25.66721       5.504670      22.91133       10.15211      28.42308       4.261337      39.49217 11.88670 52.10873 4.088891 -12.61656      12.57031 
1 1 1 14 14 40 o 37.49467 6.349056 18.66062       5.256004      18.72438       9.705790      18.58978       4.031799      33.64940 11.72445 41.33994 4.876397 -7.690540      12.69811 
1 1 1 14 14 41 o 15.56729 6.533239 0.000000       0.000000      ?              ?             1.707369       3.438116      ?        ?        15.56729 6.533239 ?              ?        
1 1 1 14 15 0  o 419.3255 4.880768 1759.794       40.92017      1759.794       40.92017      1759.794       40.92017      419.3255 4.880768 419.3255 4.880768 -0.000000      0.000000 
1 1 1 14 15 1  o 251.6996 2.612237 633.8518       13.14886      627.2632       18.50476      640.4404       18.68896      250.3914 3.695167 253.0078 3.693356 -2.616440      5.224474 
1 1 1 14 15 2  o 257.3063 2.622818 662.6149       13.50309      684.7186       19.48242      640.4404       18.69604      261.6058 3.723623 253.0069 3.694770 8.598923       5.245635 
1 1 1 14 15 3  o 169.3208 2.601435 287.4897       8.770633      260.1435       12.54668      314.8360       12.25622      161.2446 3.890574 177.3971 3.454458 -16.15250      5.202869 
1 1 1 14 15 4  o 166.4539 2.440057 277.2172       8.118857      272.1872       11.41316      282.2472       11.56193      164.9435 3.459718 167.9643 3.441782 -3.020889      4.880115 
1 1 1 14 15 5  o 191.2016 2.564993 366.0571       9.840395      386.5313       15.03335      345.5828       12.70963      196.5474 3.824357 185.8558 3.419217 10.69160       5.129985 
1 1 1 14 15 6  o 246.7488 2.583423 609.1977       12.75213      614.6528       18.24263      603.7426       17.81756      247.8525 3.680139 245.6450 3.626690 2.207550       5.166846 
1 1 1 14 15 7  o 183.4646 2.435429 336.9396       8.933578      352.1714       12.82298      321.7079       12.44750      187.6143 3.417377 179.3149 3.470849 8.299423       4.870858 
1 1 1 14 15 8  o 269.9703 2.596816 729.7053       14.02026      716.2448       19.58161      742.4575       20.07752      267.5450 3.659497 272.3956 3.685361 -4.850555      5.193631 
1 1 1 14 15 9  o 192.8813 2.558317 372.3622       9.889987      382.2097       15.21046      362.4439       12.64586      195.4323 3.891491 190.3302 3.322085 5.102066       5.116635 
1 1 1 14 15 10 o 345.5511 2.963112 1195.158       20.48134      1216.412       29.40783      1173.905       28.51518      348.6219 4.217727 342.4803 4.163041 6.141632       5.926223 
1 1 1 14 15 11 o 283.4934 2.835268 804.0928       16.10311      787.7984       20.81431      821.0956       24.56911      280.5767 3.709203 286.4101 4.289148 -5.833435      5.670536 
1 1 1 14 15 12 o 65.96204 3.661721 43.91692       4.728916      36.26565       7.052638      51.56821       6.300971      60.15634 5.861924 71.76775 4.389834 -11.61142      7.323442 
1 1 1 14 15 13 o 138.9380 2.343993 193.2656       6.513506      199.7834       9.294888      186.7479       9.124859      141.2824 3.289470 136.5936 3.340148 4.688828       4.687985 
1 1 1 14 15 14 o 183.3536 2.377581 336.5146       8.713958      335.1685       13.95650      337.9315       10.43549      182.9489 3.814318 183.7583 2.839462 -0.8094482     4.755162 
1 1 1 14 15 15 o 22.21818 6.112631 2.884107       3.998502      2.022630       6.463206      3.745585       4.708370      22.53035 9.149531 21.90600 8.108213 0.6243496      12.22526 
1 1 1 14 15 16 o 218.8920 2.461952 479.9052       10.74013      466.5863       16.88949      493.1533       13.26930      215.8233 3.912806 221.9608 2.989110 -6.137527      4.923903 
1 1 1 14 15 17 o 50.28696 4.189938 25.41216       4.240084      26.78656       6.764297      24.04485       5.115022      51.62016 6.551991 48.95377 5.224339 2.666393       8.379875 
1 1 1 14 15 18 o 221.1576 2.552290 489.9652       11.28564      487.2023       17.23663      492.7282       14.56577      220.5008 3.908520 221.8145 3.283322 -1.313721      5.104579 
1 1 1 14 15 19 o 39.97955 5.399616 16.98867       4.106895      9.571183       6.261296      24.40616       5.316930      30.66614 9.356113 49.29297 5.393194 -18.62683      10.79923 
1 1 1 14 15 20 o 130.1513 2.789132 170.1701       7.360813      182.7806       12.43333      157.4888       7.885069      134.9254 4.607484 125.3772 3.144538 9.548187       5.578264 
1 1 1 14 15 21 o 196.6146 2.814224 387.9482       11.08019      391.8447       18.29931      384.0517       12.51126      197.4792 4.633225 195.7499 3.195725 1.729294       5.628449 
1 1 1 14 15 22 o 163.3816 2.677147 267.9365       8.820225      277.9256       15.10419      257.9473       9.103605      166.3078 4.541037 160.4554 2.836802 5.852310       5.354293 
1 1 1 14 15 23 o 105.9552 2.833990 112.7147       5.994919      112.0062       10.06710      113.4940       6.512797      105.5107 4.770652 106.3997 3.060534 -0.8889465     5.667980 
1 1 1 14 15 24 f 77.34045 3.376139 60.28925       5.135567      56.08104       8.614774      64.49745       5.595352      74.51630 5.780463 80.16460 3.489915 -5.648308      6.752278 
1 1 1 14 15 25 o 69.40968 3.210415 48.50770       4.431365      46.68697       7.034926      50.32842       5.390610      68.03967 5.169724 70.77970 3.808020 -2.740036      6.420830 
1 1 1 14 15 26 o 79.51672 3.036325 63.86693       4.869897      71.69532       7.630026      56.04562       6.053012      84.37905 4.521280 74.65439 4.054023 9.724663       6.072650 
1 1 1 14 15 27 o 17.23607 5.460830 -2.374730      3.915613      -3.393484      6.020423      -1.355977      5.007337      17.43465 7.921705 17.03750 7.518594 0.3971539      10.92166 
1 1 1 14 15 28 o 134.4700 2.672709 182.0721       7.141194      170.3827       10.85348      193.7616       9.280719      130.0626 4.172407 138.8775 3.341333 -8.814911      5.345417 
1 1 1 14 15 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 15 30 o 84.72052 3.219028 72.61631       5.476333      74.74166       8.869816      70.47678       6.422115      85.82774 5.167220 83.61330 3.840367 2.214439       6.438057 
1 1 1 14 15 31 f 53.71261 5.136718 0.000000       0.000000      ?              ?             29.34407       5.518131      ?        ?        53.71261 5.136718 ?              ?        
1 1 1 14 15 32 o 102.0072 2.899623 105.3468       5.926908      107.0471       9.599521      103.7173       6.952746      102.6209 4.677176 101.3935 3.428596 1.227440       5.799246 
1 1 1 14 15 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 15 34 o 61.52723 3.877187 39.32616       4.681449      32.98552       6.930075      45.66680       6.296011      56.28162 6.156607 66.77284 4.714499 -10.49123      7.754374 
1 1 1 14 15 35 o 27.72711 7.534284 7.523758       6.351979      8.650196       11.52651      6.393777       5.347394      30.60823 12.30458 24.84599 8.698222 5.762245       15.06857 
1 1 1 14 15 36 o 32.83290 7.409025 8.501422       7.289969      -2.304594      12.42624      19.30531       7.608772      24.98908 11.36128 40.67671 9.512929 -15.68762      14.81805 
1 1 1 14 15 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 15 38 o 28.59702 6.583222 7.608772       5.865981      1.688241       10.54176      13.53143       5.152570      23.53297 10.60739 33.66106 7.799903 -10.12808      13.16644 
1 1 1 14 15 39 o 87.30132 3.971231 83.52647       6.446203      73.32476       11.75322      93.72817       5.301345      78.95125 7.443338 95.65139 2.771180 -16.70014      7.942463 
1 1 1 14 15 40 o 26.17574 6.691574 10.53468       5.090934      14.45950       9.535762      6.613398       3.567763      29.27493 11.36513 23.07654 7.066996 6.198395       13.38315 
1 1 1 14 16 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 16 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 16 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 16 3  o 342.1639 5.982045 1174.613       40.95560      1144.150       56.38567      1205.076       59.41077      337.7403 8.347491 346.5876 8.570814 -8.847382      11.96409 
1 1 1 14 16 4  o 199.2447 2.408653 397.2289       9.599521      408.0682       13.75813      386.4604       13.38974      201.9545 3.406246 196.5349 3.406454 5.419617       4.817306 
1 1 1 14 16 5  o 321.3246 2.867437 1032.923       18.42683      1031.506       26.09228      1035.048       26.02852      321.0487 4.063602 321.6005 4.046717 -0.5518188     5.734874 
1 1 1 14 16 6  o 348.9547 3.004900 1218.537       20.97726      1247.584       30.13046      1190.199       29.18822      353.0612 4.267030 344.8482 4.232038 8.212982       6.009800 
1 1 1 14 16 7  o 67.08395 3.445670 45.05045       4.623356      45.46135       6.605605      44.64663       6.470290      67.38680 4.901260 66.78112 4.844401 0.6056747      6.891341 
1 1 1 14 16 8  f 85.41116 3.159585 73.53729       5.450119      61.57863       6.717540      85.43929       8.586436      78.43723 4.282112 92.38509 4.647090 -13.94785      6.319171 
1 1 1 14 16 9  o 283.7734 2.655483 805.5097       15.06877      807.6351       21.34565      804.0928       21.28189      284.0852 3.756911 283.4617 3.753928 0.6235046      5.310966 
1 1 1 14 16 10 o 284.2121 2.859281 808.3435       16.28731      787.0900       20.97726      830.3055       24.91625      280.4344 3.740136 287.9897 4.325891 -7.555359      5.718563 
1 1 1 14 16 11 o 99.28755 2.660856 98.68733       5.280799      94.79085       7.488335      102.6547       7.445828      97.30719 3.847781 101.2679 3.676302 -3.960724      5.321712 
1 1 1 14 16 12 o 16.95587 5.367288 -2.801218      3.805803      -0.5808596     5.403362      -5.020798      5.361563      18.55539 8.001213 15.35636 7.156236 3.199024       10.73458 
1 1 1 14 16 13 o 256.7949 2.755611 660.4896       14.16904      669.7703       21.71405      651.1381       18.20721      258.5753 4.198786 255.0144 3.569839 3.560852       5.511221 
1 1 1 14 16 14 o 368.2272 3.380527 1359.519       24.90916      1349.601       32.20622      1368.729       38.00844      367.0007 4.387760 369.4537 5.143870 -2.453003      6.761053 
1 1 1 14 16 15 o 108.5176 2.452808 118.0281       5.330391      125.1126       7.856731      110.9436       7.204955      111.7754 3.514516 105.2598 3.422463 6.515617       4.905617 
1 1 1 14 16 16 o 218.7174 2.936662 479.4094       12.82298      474.8044       21.06227      484.0143       14.62953      217.5831 4.840054 219.8518 3.327134 -2.268768      5.873324 
1 1 1 14 16 17 f 241.7937 3.032058 586.2438       14.73580      601.6881       24.58328      570.7288       16.24480      244.8754 5.019548 238.7120 3.402594 6.163376       6.064116 
1 1 1 14 16 18 o 120.2810 2.948528 145.2326       6.995253      135.1726       11.46984      155.2926       8.012589      116.0450 4.941978 124.5169 3.217470 -8.471931      5.897055 
1 1 1 14 16 19 o 322.6092 3.400581 1044.966       21.93367      1045.675       37.19372      1044.966       23.25847      322.3551 5.769060 322.8632 3.601908 -0.5080872     6.801161 
1 1 1 14 16 20 o 180.0370 2.696280 325.2502       9.663282      317.6698       16.17395      332.7598       10.56302      177.8264 4.547682 182.2477 2.897983 -4.421371      5.392561 
1 1 1 14 16 21 o 142.9159 3.027729 205.7344       8.905238      227.5547       15.96850      183.9141       7.885069      150.3516 5.310386 135.4801 2.910046 14.87148       6.055458 
1 1 1 14 16 22 o 202.7109 2.810497 412.6023       11.42733      418.6241       19.49659      406.6513       11.92324      203.9960 4.778670 201.4258 2.959711 2.570206       5.620994 
1 1 1 14 16 23 o 157.8807 2.493280 250.1543       7.870899      249.9418       12.08619      250.4377       10.08835      157.7497 3.830812 158.0116 3.192281 -0.2619476     4.986560 
1 1 1 14 16 24 o 91.14372 3.034370 83.59731       5.581892      88.06055       9.323226      79.13406       6.143694      93.49037 4.986196 88.79707 3.459402 4.693306       6.068740 
1 1 1 14 16 25 o 80.37894 3.001174 65.02879       4.808971      63.62605       7.651280      66.42443       5.827016      79.44098 4.815701 81.31689 3.582906 -1.875916      6.002349 
1 1 1 14 16 26 o 121.8152 2.576059 149.2708       6.334267      159.3308       10.28672      139.2816       7.389152      125.8309 4.087517 117.7996 3.136324 8.031334       5.152119 
1 1 1 14 16 27 o 57.64811 4.230794 33.75773       4.792676      30.73972       7.743378      36.78282       5.649195      54.90746 7.051299 60.38876 4.677356 -5.481304      8.461588 
1 1 1 14 16 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 16 29 o 186.1902 2.884755 349.8335       10.70471      342.6781       17.13037      356.9889       12.84423      184.0339 4.654132 188.3465 3.409735 -4.312531      5.769509 
1 1 1 14 16 30 o 40.46645 6.083099 17.77505       4.794094      20.32548       7.268716      15.23171       6.254921      43.42088 8.676931 37.51202 8.528028 5.908867       12.16620 
1 1 1 14 16 31 o 107.5669 2.954747 117.1779       6.358355      117.3196       9.330310      116.9654       8.636027      107.5977 4.335737 107.5361 4.015408 0.6163025E-01  5.909493 
1 1 1 14 16 32 o 72.60246 14.53050 63.95194       20.35382      63.95194       20.35382      ?              ?             72.60246 14.53050 ?        ?        ?              ?        
1 1 1 14 16 33 o 24.86375 5.423128 2.615604       4.210329      15.21046       6.473125      -9.975000      5.385650      36.95140 8.860258 12.77610 6.255964 24.17530       10.84626 
1 1 1 14 16 34 o 50.02763 4.352748 26.42525       4.361938      32.04327       6.689910      20.81431       5.599603      55.44410 6.033023 44.61117 6.276010 10.83292       8.705497 
1 1 1 14 16 35 o 65.67018 3.449137 44.78832       4.495126      41.23189       6.707621      48.33767       5.987126      62.82911 5.337988 68.51125 4.369448 -5.682133      6.898274 
1 1 1 14 16 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 16 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 16 38 o 21.31287 5.917890 4.057303       3.833432      6.974707       5.516714      1.140607       5.324723      24.35803 8.803741 18.26771 7.910741 6.090328       11.83578 
1 1 1 14 16 39 o 18.93051 6.000300 1.905027       4.874856      2.969830       8.841478      0.8402238      4.112563      21.86592 9.790501 15.99510 6.939775 5.870821       12.00060 
1 1 1 14 16 40 f 23.04580 6.147303 5.665489       4.842268      2.178489       8.494337      9.153197       4.646736      20.21285 9.254701 25.87875 8.093693 -5.665897      12.29461 
1 1 1 14 17 0  o 409.9991 4.769684 1682.573       39.09945      1682.573       39.09945      1682.573       39.09945      409.9991 4.769684 409.9991 4.769684 0.000000       0.000000 
1 1 1 14 17 1  o 180.1889 2.373623 324.8960       8.558097      332.4056       12.20662      317.3864       11.98701      182.2719 3.348466 178.1060 3.365132 4.165894       4.747245 
1 1 1 14 17 2  f 125.4093 2.528832 157.4180       6.339226      164.7150       9.025676      150.1918       8.905238      128.3040 3.517302 122.5146 3.634357 5.789330       5.057664 
1 1 1 14 17 3  o 321.1557 2.868932 1032.214       18.42683      1030.089       25.99310      1034.340       26.12770      320.8254 4.050972 321.4860 4.063584 -0.6605225     5.737864 
1 1 1 14 17 4  o 143.5592 2.566076 206.2303       7.382068      200.2793       9.656199      212.2522       11.16520      141.4808 3.412548 145.6377 3.833210 -4.156952      5.132152 
1 1 1 14 17 5  o 100.8756 2.725809 101.8754       5.498294      97.69550       7.693786      106.0552       7.856731      98.80453 3.893438 102.9466 3.815926 -4.142052      5.451619 
1 1 1 14 17 6  o 208.5030 2.396001 434.9894       9.989170      435.6270       14.14070      434.3517       14.11944      208.6558 3.388523 208.3502 3.388393 0.3056183      4.792003 
1 1 1 14 17 7  o 158.6131 2.360908 251.7838       7.488335      255.3260       10.63386      248.1706       10.54885      159.7405 3.328480 157.4857 3.349145 2.254837       4.721816 
1 1 1 14 17 8  f 168.1025 2.331942 283.0265       7.842561      266.2362       10.76847      299.8168       11.40607      163.1117 3.300948 173.0933 3.294777 -9.981537      4.663884 
1 1 1 14 17 9  o 256.1177 2.546596 656.6639       13.04968      664.8112       18.62520      648.4459       18.27097      257.7127 3.613558 254.5226 3.589262 3.190079       5.093193 
1 1 1 14 17 10 o 136.7953 2.537209 187.3855       6.958413      179.8759       9.054014      194.9659       10.57010      134.0496 3.377112 139.5409 3.787456 -5.491287      5.074417 
1 1 1 14 17 11 o 37.53399 6.508128 14.76414       4.884067      12.34123       7.045553      17.19412       6.766423      34.51722 9.767025 40.55075 8.603960 -6.033524      13.01626 
1 1 1 14 17 12 o 140.4667 2.748652 197.6581       7.722124      203.6799       11.11561      191.6362       10.72596      142.6063 3.897306 138.3270 3.877031 4.279297       5.497305 
1 1 1 14 17 13 o 275.0806 3.396384 758.7519       18.73855      736.7899       23.25847      780.7139       29.39366      271.1683 4.288567 278.9929 5.267816 -7.824585      6.792768 
1 1 1 14 17 14 o 141.7563 3.064034 201.5545       8.735210      191.5654       10.71179      211.4729       13.79356      138.2848 3.873091 145.2279 4.748934 -6.943130      6.128067 
1 1 1 14 17 15 o 153.0199 2.694288 234.6392       8.246379      238.7483       11.77447      230.4594       11.54776      154.3714 3.813683 151.6684 3.806911 2.702911       5.388576 
1 1 1 14 17 16 o 77.06334 3.778808 59.69414       5.887943      63.83859       9.755382      55.55679       6.599937      79.69185 6.120689 74.43482 4.433366 5.257027       7.557617 
1 1 1 14 17 17 o 152.1696 2.446562 232.2305       7.523758      247.8873       12.36248      216.6445       8.572267      157.2504 3.930827 147.0888 2.913977 10.16164       4.893124 
1 1 1 14 17 18 o 62.38950 3.626228 39.13488       4.546135      40.47385       7.353730      37.79590       5.346686      63.41319 5.798265 61.36583 4.356403 2.047359       7.252457 
1 1 1 14 17 19 o 96.48878 2.804586 93.44479       5.450828      97.83719       8.905238      89.12323       6.284676      98.68908 4.511765 94.28848 3.332685 4.400597       5.609173 
1 1 1 14 17 20 f 190.0195 2.454967 362.1606       9.351563      368.1824       15.10419      356.0679       11.03059      191.5311 3.943014 188.5080 2.925763 3.023056       4.909933 
1 1 1 14 17 21 o 218.5604 2.540100 479.3384       11.08019      472.6082       17.62628      485.9980       13.43225      216.9323 4.062622 220.1885 3.050170 -3.256165      5.080201 
1 1 1 14 17 22 o 90.91859 3.019953 83.17223       5.520965      87.56464       8.713958      78.77983       6.782009      93.27274 4.671224 88.56445 3.828856 4.708290       6.039907 
1 1 1 14 17 23 f 139.1632 2.816043 194.6825       7.792970      186.8896       12.36248      202.4047       9.486169      136.2922 4.535286 142.0342 3.339397 -5.741959      5.632086 
1 1 1 14 17 24 o 23.26180 6.391995 3.497626       4.374690      2.902527       7.204955      4.092726       4.961997      24.05483 9.704116 22.46876 8.322291 1.586063       12.78399 
1 1 1 14 17 25 o 56.68914 4.144698 32.61712       4.762213      35.82641       7.821308      29.40783       5.437367      59.39459 6.584192 53.98369 5.036120 5.410904       8.289396 
1 1 1 14 17 26 o 109.5708 3.095805 121.0036       6.761464      118.3823       10.76138      123.5540       8.189702      108.2821 4.969143 110.8595 3.693731 -2.577415      6.191609 
1 1 1 14 17 27 o 38.49490 6.901109 15.99684       5.426741      12.35540       8.111773      19.63828       7.212039      34.17385 10.69491 42.81594 8.724682 -8.642090      13.80222 
1 1 1 14 17 28 o 24.84898 6.825646 4.133816       4.977582      7.141194       7.374983      1.127147       6.684951      28.03531 10.17449 21.66264 9.101510 6.372669       13.65129 
1 1 1 14 17 29 o 97.41262 3.065373 95.92437       5.987834      99.96254       9.110690      91.95705       7.771716      99.38392 4.583583 95.44132 4.071463 3.942596       6.130746 
1 1 1 14 17 30 o 71.74916 3.737800 52.46794       5.359438      51.01562       7.658363      53.92027       7.502505      70.72307 5.414332 72.77526 5.154571 -2.052193      7.475600 
1 1 1 14 17 31 o 36.20706 6.069453 14.38866       4.341393      14.50201       6.538302      14.27530       5.713664      36.22669 9.042681 36.18743 8.098331 0.3926086E-01  12.13891 
1 1 1 14 17 32 o 135.4523 2.821278 186.5353       7.594603      175.0584       11.45567      198.0831       9.982086      131.0560 4.370522 139.8486 3.568890 -8.792572      5.642556 
1 1 1 14 17 33 o 44.41187 4.969366 21.08352       4.297468      20.77181       6.572307      21.40233       5.538676      43.52142 7.836416 45.30231 6.113017 -1.780899      9.938732 
1 1 1 14 17 34 o 25.37061 6.131473 6.684951       3.844768      4.711204       5.666197      8.657280       5.199328      23.01086 8.801274 27.73036 8.539169 -4.719505      12.26295 
1 1 1 14 17 35 o 29.40801 6.371036 9.996255       4.137358      12.04368       6.238626      7.948828       5.435242      32.10085 9.225492 26.71517 8.789238 5.385681       12.74207 
1 1 1 14 17 36 o 41.45179 5.587744 20.58052       4.514255      19.29823       6.726042      21.86282       6.022548      39.13036 8.807230 43.77322 6.879262 -4.642860      11.17549 
1 1 1 14 17 37 o 46.95293 6.155066 26.71572       5.720040      29.98876       10.20170      23.44267       5.180200      47.30796 10.98378 46.59791 5.558403 0.7100487      12.31013 
1 1 1 14 17 38 o 39.87188 6.863854 22.06119       5.695244      29.47868       9.967916      14.65078       5.505378      45.47324 11.05258 34.27052 8.141899 11.20272       13.72771 
1 1 1 14 17 39 o 20.65808 5.517766 3.875940       3.554303      9.209873       5.126357      -1.458702      4.925157      26.12227 8.535840 15.19389 6.994454 10.92838       11.03553 
1 1 1 14 18 0  o 168.5076 3.362196 284.3726       11.32106      284.3726       11.32106      284.3726       11.32106      168.5076 3.362196 168.5076 3.362196 0.000000       0.000000 
1 1 1 14 18 1  o 221.5255 2.641633 491.1696       11.68237      505.4803       15.69929      476.9298       17.30748      224.7555 3.492527 218.2954 3.964233 6.460129       5.283265 
1 1 1 14 18 2  o 101.8838 2.875248 104.2133       5.878025      93.37395       7.700871      114.9817       8.883986      96.58826 3.986442 107.1792 4.144453 -10.59098      5.750496 
1 1 1 14 18 3  o 58.86563 3.936038 34.79915       4.626190      38.27057       6.674324      31.32774       6.407238      61.81212 5.398880 55.91915 5.729020 5.892975       7.872075 
1 1 1 14 18 4  o 180.4866 2.370909 326.0295       8.558097      317.5989       11.89491      334.4601       12.31289      178.1532 3.338392 182.8200 3.367490 -4.666809      4.741819 
1 1 1 14 18 5  o 125.7825 2.462290 158.3390       6.194703      158.5515       8.770633      158.1264       8.749379      125.8669 3.484092 125.6981 3.480315 0.1687393      4.924580 
1 1 1 14 18 6  o 81.72607 3.030284 67.04079       4.940034      60.67181       6.925824      73.39561       7.046970      77.83483 4.449052 85.61732 4.115388 -7.782494      6.060568 
1 1 1 14 18 7  o 200.9658 2.569862 404.3134       10.33631      398.0790       13.58102      410.6187       15.59302      199.4213 3.405107 202.5102 3.849935 -3.088913      5.139723 
1 1 1 14 18 8  f 220.7224 2.820674 487.9108       12.44750      484.5810       17.66879      491.2404       17.54835      219.9671 4.016235 221.4778 3.961650 -1.510773      5.641348 
1 1 1 14 18 9  o 208.8862 2.768085 436.9731       11.56193      442.9949       16.50693      431.0221       16.20229      210.3162 3.924311 207.4562 3.904992 2.860062       5.536170 
1 1 1 14 18 10 o 92.60551 3.479005 86.00604       6.463914      82.46378       8.288886      89.54830       9.918325      90.71333 4.568726 94.49770 5.247919 -3.784370      6.958011 
1 1 1 14 18 11 o 209.3799 3.150893 439.3818       13.22680      448.4500       21.00560      430.3136       16.08185      211.4869 4.966168 207.2729 3.879392 4.214081       6.301786 
1 1 1 14 18 12 o 287.2114 3.355618 826.7632       19.21321      810.4688       31.11520      843.7661       22.53585      284.1978 5.474216 290.2250 3.882480 -6.027130      6.711236 
1 1 1 14 18 13 o 95.33147 2.812577 91.10690       5.359438      86.92703       7.516674      95.28677       7.644195      93.14076 4.035115 97.52218 3.919209 -4.381416      5.625153 
1 1 1 14 18 14 o 175.9474 2.375293 310.3019       8.359732      328.3674       12.15703      292.2364       11.48400      181.0737 3.356930 170.8211 3.361412 10.25256       4.750586 
1 1 1 14 18 15 o 79.42935 3.075524 63.26474       4.886192      62.75466       6.850020      63.77483       6.969040      79.11014 4.329420 79.74856 4.369383 -0.6384201     6.151048 
1 1 1 14 18 16 o 69.39113 3.295193 48.51478       4.550386      54.52953       6.484459      42.50002       6.386693      73.72316 4.397844 65.05910 4.908378 8.664055       6.590387 
1 1 1 14 18 17 o 79.69342 2.980360 63.95194       4.742376      71.48279       6.907404      56.43527       6.500045      84.40523 4.091811 74.98161 4.334426 9.423622       5.960719 
1 1 1 14 18 18 o 147.4575 2.232670 217.9198       6.575850      213.1023       9.755382      222.8081       8.820225      145.7953 3.345575 149.1197 2.957430 -3.324448      4.465341 
1 1 1 14 18 19 o 184.5271 2.497809 341.4738       9.224042      344.0950       14.88457      338.9233       10.91016      185.1459 4.019687 183.9082 2.966197 1.237732       4.995618 
1 1 1 14 18 20 o 97.46333 3.177829 95.49931       6.135192      91.39028       10.25130      99.67917       6.740210      95.23671 5.382010 99.68996 3.380586 -4.453255      6.355658 
1 1 1 14 18 21 o 29.52011 6.669064 8.841478       5.460038      20.02793       9.812057      -2.342142      4.791968      43.14609 11.25432 15.89412 7.158632 27.25197       13.33813 
1 1 1 14 18 22 o 147.5842 3.002956 218.9825       8.848563      216.0069       13.60936      221.9579       11.32106      146.5046 4.644688 148.6638 3.807606 -2.159210      6.005912 
1 1 1 14 18 23 o 131.1767 2.925787 173.2165       7.707955      178.6715       12.62461      167.6905       8.862731      133.1309 4.741427 129.2224 3.429255 3.908539       5.851574 
1 1 1 14 18 24 o 112.4427 2.864069 127.1671       6.446911      128.7965       10.06710      125.5377       8.062181      113.0965 4.450670 111.7890 3.605980 1.307434       5.728137 
1 1 1 14 18 25 o 89.19306 3.255997 80.33842       5.837643      87.42295       9.004422      73.32476       7.438744      93.07386 4.837245 85.31226 4.359715 7.761597       6.511993 
1 1 1 14 18 26 o 35.73107 6.480114 13.67312       5.492627      25.94350       8.628942      1.404151       6.801846      49.30866 9.091072 22.15347 9.236879 27.15519       12.96023 
1 1 1 14 18 27 o 103.6399 3.278958 108.7474       6.813181      111.0852       10.89599      106.4095       8.182618      104.5894 5.208937 102.6903 3.984123 1.899048       6.557916 
1 1 1 14 18 28 o 183.5921 2.579638 339.6318       9.429493      328.5091       14.74288      350.7545       11.76738      180.4138 4.085853 186.7704 3.150227 -6.356644      5.159276 
1 1 1 14 18 29 o 76.09224 3.359748 58.96444       5.166739      65.87185       8.232210      52.06412       6.249961      80.47413 5.114818 71.71035 4.357782 8.763779       6.719496 
1 1 1 14 18 30 o 65.07790 3.783718 43.27224       4.896110      41.82699       7.757547      44.71748       5.979333      63.79058 6.080480 66.36520 4.504870 -2.574619      7.567436 
1 1 1 14 18 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 18 32 o 126.7220 2.729091 163.0856       6.922991      165.2110       10.61969      160.9602       8.883986      127.3866 4.168293 126.0573 3.523788 1.329277       5.458181 
1 1 1 14 18 33 o 81.27220 3.211435 67.75633       5.221998      68.43644       7.920490      67.07622       6.808930      81.53329 4.857213 81.01111 4.202467 0.5221863      6.422869 
1 1 1 14 18 34 f 41.74295 5.412702 19.39032       4.328640      15.06169       6.398736      23.72605       5.831267      36.08653 8.907976 47.39937 6.151207 -11.31284      10.82540 
1 1 1 14 18 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 18 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 18 37 o 40.67897 5.102077 19.47534       3.900735      14.36740       5.882275      24.58328       5.124940      33.75630 8.668703 47.60163 5.383156 -13.84534      10.20415 
1 1 1 14 18 38 o 25.20709 6.685613 9.812057       5.140526      20.16254       9.330310      -0.5440910     4.325098      35.33609 11.51569 15.07808 6.795491 20.25801       13.37123 
1 1 1 14 18 39 o 49.51552 4.887364 30.19422       4.521339      35.96101       6.009797      24.43450       6.756505      56.22422 5.344491 42.80681 8.184236 13.41741       9.774728 
1 1 1 14 19 0  o 96.04134 4.102756 92.80718       7.849646      92.80718       7.849646      92.80718       7.849646      96.04134 4.102756 96.04134 4.102756 0.000000       0.000000 
1 1 1 14 19 1  o 137.6705 2.478384 189.7942       6.822391      194.7534       9.691620      184.7642       9.606606      139.4838 3.474102 135.8571 3.535555 3.626678       4.956767 
1 1 1 14 19 2  o 190.5499 2.432490 363.4358       9.266549      359.5393       13.06385      367.4031       13.15595      189.5188 3.446584 191.5809 3.433523 -2.062088      4.864979 
1 1 1 14 19 3  o 205.4381 2.446003 422.5206       10.04585      412.5315       14.13361      432.5807       14.28947      202.9995 3.481194 207.8767 3.437007 -4.877228      4.892007 
1 1 1 14 19 4  o 181.4967 2.785047 329.8551       10.10961      333.1140       14.57285      326.6671       14.02026      182.3797 3.995195 180.6138 3.881283 1.765991       5.570094 
1 1 1 14 19 5  o 219.8967 3.121620 484.5102       13.76522      470.7662       17.51293      498.3250       21.23230      216.8026 4.038910 222.9907 4.760804 -6.188065      6.243241 
1 1 1 14 19 6  o 241.0662 2.920826 582.3474       14.08402      558.4017       19.53910      606.2930       20.29006      236.1072 4.137760 246.0253 4.123572 -9.918045      5.841653 
1 1 1 14 19 7  o 174.1805 2.749327 303.9258       9.585353      313.4899       13.82190      294.3617       13.26930      176.9206 3.906242 171.4405 3.869943 5.480087       5.498653 
1 1 1 14 19 8  o 77.82930 3.640109 61.16064       5.637859      51.05103       7.700871      71.27025       8.239295      71.34176 5.397170 84.31685 4.885912 -12.97509      7.280218 
1 1 1 14 19 9  o 77.95390 3.216445 61.56446       4.965539      74.10406       7.226208      48.99652       6.811056      86.00085 4.201242 69.90696 4.871514 16.09389       6.432891 
1 1 1 14 19 10 f 147.3565 2.418112 217.4239       7.127024      222.1705       10.13795      212.7481       10.01751      148.9539 3.403049 145.7591 3.436323 3.194763       4.836223 
1 1 1 14 19 11 o 119.9240 2.775102 144.0991       6.665114      146.2244       10.18045      141.9737       8.600604      120.7910 4.214076 119.0569 3.611971 1.734100       5.550205 
1 1 1 14 19 12 o 198.1472 2.627479 393.3325       10.41424      393.0490       15.79139      393.6158       13.57394      198.0488 3.986743 198.2455 3.423516 -0.1967621     5.254958 
1 1 1 14 19 13 o 54.06311 4.633838 29.45034       5.039217      27.23997       6.346311      31.65363       7.828392      52.05626 6.095628 56.06997 6.980913 -4.013718      9.267676 
1 1 1 14 19 14 o 114.4360 2.604728 131.2761       5.962330      126.6712       8.295970      135.8811       8.565183      112.4279 3.689464 116.4441 3.677809 -4.016228      5.209455 
1 1 1 14 19 15 o 38.00645 5.647421 15.28839       4.177740      12.01534       5.663363      18.56144       6.142277      33.78045 8.406126 42.23245 7.543905 -8.452003      11.29484 
1 1 1 14 19 16 o 77.01460 3.135945 59.62330       4.824557      55.84726       6.789093      63.39226       6.856396      74.56696 4.552347 79.46223 4.314249 -4.895264      6.271890 
1 1 1 14 19 17 o 146.6290 2.557847 216.0069       7.467082      198.4373       10.79680      233.5765       10.32214      140.6279 3.838786 152.6300 3.381426 -12.00217      5.115693 
1 1 1 14 19 18 o 145.2383 2.781230 211.7562       8.090520      206.0178       10.88182      217.4947       11.96575      143.2881 3.797183 147.1885 4.064771 -3.900436      5.562460 
1 1 1 14 19 19 o 188.3413 3.025357 356.7055       11.37065      337.7190       16.40066      375.7628       15.75597      183.2728 4.474385 193.4099 4.073205 -10.13715      6.050713 
1 1 1 14 19 20 o 89.85565 3.487921 81.47195       6.164948      74.38744       9.982086      88.55647       7.233293      85.81500 5.816050 93.89629 3.851746 -8.081291      6.975842 
1 1 1 14 19 21 o 36.25339 6.538460 14.66495       5.185867      23.61978       8.636027      5.712955       5.746961      47.18352 9.485174 25.32327 9.002071 21.86025       13.07692 
1 1 1 14 19 22 o 71.44977 3.751574 51.57529       5.372899      52.77257       8.359732      50.37801       6.749420      72.21110 5.788398 70.68843 4.774063 1.522667       7.503148 
1 1 1 14 19 23 o 42.38506 5.749018 19.20613       4.616271      11.38482       7.353730      27.02035       5.586143      33.05214 10.15079 51.71799 5.400580 -18.66585      11.49804 
1 1 1 14 19 24 o 31.46949 6.318064 9.819141       4.523465      5.774590       7.282885      13.85732       5.367939      26.79119 10.05063 36.14779 7.658759 -9.356598      12.63613 
1 1 1 14 19 25 o 121.1317 2.943014 147.8539       7.112856      145.5869       11.33523      150.1209       8.593520      120.0718 4.720188 122.1917 3.516411 -2.119850      5.886027 
1 1 1 14 19 26 o 72.05898 6.521534 54.57204       9.372816      59.49578       13.29764      49.64830       13.20554      75.46323 8.810676 68.65472 9.617359 6.808510       13.04307 
1 1 1 14 19 27 o 19.34650 5.915563 -3.212120      4.685700      -9.386987      7.374983      2.964162       5.785217      16.58972 7.931161 22.10328 8.779080 -5.513561      11.83113 
1 1 1 14 19 28 o 61.02014 4.107049 38.34141       5.066847      45.15672       8.012589      31.53319       6.202496      66.43388 6.030499 55.60640 5.577141 10.82748       8.214099 
1 1 1 14 19 29 o 65.95900 3.821178 44.49786       4.972623      40.75723       7.821308      48.23848       6.140860      62.96117 6.211215 68.95683 4.452685 -5.995655      7.642356 
1 1 1 14 19 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 19 31 o 62.90148 4.062417 41.35941       4.867064      31.41984       7.523758      51.29899       6.176282      54.82387 6.861754 70.97909 4.350776 -16.15522      8.124834 
1 1 1 14 19 32 o 82.15211 3.242805 69.15906       5.288592      65.92852       8.317224      72.40377       6.535468      79.94728 5.201693 84.35695 3.873698 -4.409668      6.485611 
1 1 1 14 19 33 o 19.32609 5.893672 0.3629398      4.219539      -1.083931      6.405112      1.810094       5.494043      18.81898 8.382030 19.83319 8.287525 -1.014206      11.78734 
1 1 1 14 19 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 19 35 f 19.25234 5.838739 0.8317224      4.133108      -1.370854      6.151486      3.034299       5.522382      17.89885 8.083473 20.60583 8.427394 -2.706976      11.67748 
1 1 1 14 19 36 o 21.31427 5.842570 4.316597       3.611687      3.533049       5.509629      5.100144       4.670823      20.75809 8.441661 21.87046 8.079658 -1.112366      11.68514 
1 1 1 14 19 37 o 62.10523 3.472320 42.69839       4.344226      55.73391       6.945662      29.65579       5.220581      71.89420 4.830474 52.31627 4.989443 19.57792       6.944640 
1 1 1 14 19 38 o 17.72899 5.361242 1.958869       3.457953      4.796218       5.337476      -0.8777718     4.398069      20.68581 8.349308 14.77217 6.727608 5.913641       10.72248 
1 1 1 14 20 0  o 123.9548 4.384277 154.3716       10.83931      154.3716       10.83931      154.3716       10.83931      123.9548 4.384277 123.9548 4.384277 0.000000       0.000000 
1 1 1 14 20 1  o 356.8283 4.041146 1278.047       28.98276      1224.205       35.20297      1331.889       46.04228      349.4394 5.037064 364.2173 6.320716 -14.77789      8.082293 
1 1 1 14 20 2  o 78.72424 3.770644 62.15247       5.934701      61.45111       8.423491      62.86092       8.366816      78.27576 5.380651 79.17271 5.283901 -0.8969498     7.541287 
1 1 1 14 20 3  o 125.2118 2.962659 157.0638       7.417490      156.2136       10.49926      157.9139       10.48509      124.8721 4.204003 125.5514 4.175615 -0.6792679     5.925318 
1 1 1 14 20 4  o 225.4162 2.900736 509.0226       13.07802      512.0689       18.70313      505.9763       18.28514      226.0874 4.136261 224.7449 4.067976 1.342484       5.801472 
1 1 1 14 20 5  o 89.89581 2.964716 81.04688       5.322598      86.21858       7.537927      75.87518       7.516674      92.77206 4.062606 87.01955 4.318957 5.752510       5.929431 
1 1 1 14 20 6  o 111.9442 2.685265 125.6085       6.009797      130.9927       8.536844      120.1534       8.458915      114.3640 3.732311 109.5243 3.861662 4.839767       5.370529 
1 1 1 14 20 7  o 112.0253 2.877632 125.8210       6.467456      133.6140       9.812057      118.0989       8.430575      115.4715 4.248691 108.5791 3.882227 6.892418       5.755263 
1 1 1 14 20 8  o 101.0896 2.765028 102.4421       5.588976      96.13691       7.743378      108.8182       8.062181      97.95718 3.952430 104.2220 3.867793 -6.264786      5.530057 
1 1 1 14 20 9  o 96.36373 2.992389 93.09056       5.777424      90.32761       7.594603      95.85353       8.706873      94.94498 3.999476 97.78249 4.452164 -2.837509      5.984778 
1 1 1 14 20 10 o 140.5477 2.713668 198.1540       7.672533      212.6772       12.00117      183.7015       9.571183      145.6708 4.119277 135.4245 3.533771 10.24634       5.427337 
1 1 1 14 20 11 o 136.4989 2.498254 186.7479       6.823099      179.7342       9.443663      193.6907       9.847479      133.9478 3.525128 139.0500 3.540984 -5.102264      4.996509 
1 1 1 14 20 12 o 124.9193 2.549207 156.5679       6.365439      145.2326       8.813140      167.9031       9.188620      120.3876 3.660320 129.4511 3.549069 -9.063560      5.098414 
1 1 1 14 20 13 o 129.7137 2.686244 168.7532       6.979667      176.9713       10.40007      160.6060       9.316141      132.8495 3.914232 126.5779 3.680002 6.271538       5.372488 
1 1 1 14 20 14 o 164.3449 2.794416 271.1245       9.174451      283.3807       12.82298      258.7974       13.12053      168.0905 3.814308 160.5994 4.084863 7.491104       5.588833 
1 1 1 14 20 15 o 125.6198 2.928491 158.4098       7.367898      153.8757       9.875818      163.0148       10.93141      123.8255 3.987796 127.4140 4.289722 -3.588455      5.856981 
1 1 1 14 20 16 o 138.0443 2.855965 191.4237       7.899237      181.4345       10.49926      201.4128       11.80989      134.4573 3.904308 141.6314 4.169236 -7.174057      5.711931 
1 1 1 14 20 17 o 91.17825 3.288306 83.59731       5.991377      86.28942       8.373900      80.90520       8.572267      92.66020 4.518607 89.69631 4.778495 2.963890       6.576612 
1 1 1 14 20 18 o 109.3964 2.950994 120.2951       6.439827      123.7665       8.402238      116.8237       9.762465      111.0234 3.783996 107.7694 4.529332 3.253967       5.901989 
1 1 1 14 20 19 o 32.17262 6.160923 10.64803       4.335725      15.74888       5.935409      5.545053       6.322224      38.63787 7.953166 25.70736 9.411430 12.93052       12.32185 
1 1 1 14 20 20 o 62.46837 3.835504 39.51744       4.756546      44.27824       6.626149      34.75665       6.825933      66.28722 4.998060 58.64952 5.819258 7.637707       7.671008 
1 1 1 14 20 21 o 71.24583 3.319955 51.15730       4.733875      51.79491       7.176617      50.52678       6.176991      71.64907 5.008172 70.84260 4.359659 0.8064728      6.639910 
1 1 1 14 20 22 o 73.64328 3.590868 54.82709       5.348103      59.28325       8.742295      50.37092       6.162114      76.55259 5.709993 70.73398 4.355837 5.818611       7.181736 
1 1 1 14 20 23 o 99.36847 3.141569 99.53748       6.274049      102.8672       10.19462      96.20776       7.311223      100.9193 5.050881 97.81770 3.737167 3.101555       6.283137 
1 1 1 14 20 24 o 22.52658 6.651272 0.2864979      5.311263      -3.076806      8.721042      3.649944       6.061513      21.81515 9.746797 23.23802 9.053047 -1.422876      13.30254 
1 1 1 14 20 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 20 26 o 87.51080 3.387274 77.57547       5.929741      77.92970       9.500339      77.15040       7.098687      87.57820 5.423918 87.44341 4.059018 0.1347885      6.774549 
1 1 1 14 20 27 o 116.4660 2.913123 137.4397       6.681408      122.9872       10.37882      151.8921       8.416408      110.1376 4.711750 122.7943 3.427034 -12.65671      5.826246 
1 1 1 14 20 28 o 91.94608 3.165436 86.00604       5.899987      95.71184       9.585353      76.37110       6.878358      96.98775 4.941527 86.90439 3.957429 10.08337       6.330872 
1 1 1 14 20 29 o 23.99073 7.334638 -0.4194035     6.901029      -3.876648      11.93741      3.037841       6.929367      24.72324 11.20794 23.25822 9.464127 1.465014       14.66928 
1 1 1 14 20 30 o 92.89774 3.156390 87.91887       5.870940      88.98154       9.344479      86.92703       7.105771      93.21282 5.012443 92.58266 3.837528 0.6301651      6.312781 
1 1 1 14 20 31 o 94.78455 3.058534 91.88619       5.829850      96.34944       9.351563      87.35210       6.966206      96.86070 4.827326 92.70840 3.757052 4.152306       6.117068 
1 1 1 14 20 32 o 19.47853 5.928903 0.5914864      4.223790      -0.2766504     6.548929      1.459411       5.335350      19.62275 8.634299 19.33430 8.127510 0.2884502      11.85781 
1 1 1 14 20 33 o 54.60558 4.572625 31.85908       4.988917      31.93701       7.644195      31.78115       6.415030      54.35268 7.032031 54.85848 5.846890 -0.5057983     9.145249 
1 1 1 14 20 34 o 19.74852 6.060270 2.003502       4.439867      2.621980       6.667239      1.385023       5.864564      20.60562 8.886599 18.89143 8.242322 1.714188       12.12054 
1 1 1 14 20 35 o 38.72721 5.494627 17.81756       4.119648      19.87916       6.114647      15.75597       5.521673      41.07352 7.727341 36.38090 7.813571 4.692616       10.98925 
1 1 1 14 20 36 o 47.38053 4.472345 25.36257       4.147277      21.26064       6.100478      29.46451       5.619440      42.81787 7.123753 51.94320 5.409216 -9.125332      8.944690 
1 1 1 14 20 37 f 31.20069 5.652783 12.57502       3.723622      9.705790       5.821349      15.44425       4.644610      26.49250 9.094474 35.90888 6.716127 -9.416386      11.30557 
1 1 1 14 21 0  o 206.3312 5.062689 427.1255       20.86390      427.1255       20.86390      427.1255       20.86390      206.3312 5.062689 206.3312 5.062689 0.000000       0.000000 
1 1 1 14 21 1  o 234.1803 3.339887 549.8294       15.64262      548.6251       19.65245      551.0338       24.34949      233.9874 4.199468 234.3732 5.194597 -0.3858337     6.679773 
1 1 1 14 21 2  o 73.42363 4.089509 54.45161       5.943910      62.93177       8.352647      45.97144       8.458915      79.20025 5.273119 67.64702 6.252244 11.55323       8.179019 
1 1 1 14 21 3  o 75.44365 3.945224 57.17914       5.943202      60.45927       8.310139      53.89193       8.494337      77.62296 5.352888 73.26434 5.797047 4.358612       7.890448 
1 1 1 14 21 4  o 92.24314 3.283544 85.36844       6.024674      89.83168       7.693786      80.90520       9.266549      94.68444 4.062857 89.80184 5.159443 4.882599       6.567089 
1 1 1 14 21 5  o 215.1827 2.735542 463.9651       11.75322      475.0169       15.50801      452.9132       17.66170      217.7766 3.560532 212.5888 4.153959 5.187836       5.471084 
1 1 1 14 21 6  o 91.96644 3.181932 84.80168       5.858188      83.73900       7.481250      85.86436       9.018591      91.41081 4.092104 92.52206 4.873752 -1.111252      6.363864 
1 1 1 14 21 7  o 255.5137 2.634014 654.1135       13.46058      657.0181       19.09278      651.1381       18.97942      256.0876 3.727782 254.9398 3.722334 1.147842       5.268029 
1 1 1 14 21 8  o 134.1025 2.521581 180.1593       6.762172      182.5680       9.599521      177.7505       9.528677      134.9997 3.555387 133.2053 3.576689 1.794434       5.043162 
1 1 1 14 21 9  o 222.6970 2.526156 496.8372       11.25021      499.3168       15.96142      494.4285       15.86224      223.2444 3.574875 222.1495 3.570171 1.094940       5.052312 
1 1 1 14 21 10 o 33.70468 7.331434 11.42733       5.499003      9.231127       8.048012      13.62353       7.495420      31.32999 10.69514 36.07936 10.03064 -4.749372      14.66287 
1 1 1 14 21 11 o 73.74143 4.272111 55.92518       6.277591      72.19124       9.719957      39.68747       7.948828      84.71281 5.737007 62.77006 6.331704 21.94275       8.544222 
1 1 1 14 21 12 o 93.29328 4.060782 88.48563       7.282885      105.7719       8.905238      71.12856       11.52651      102.6496 4.337689 83.93700 6.866168 18.71257       8.121565 
1 1 1 14 21 13 o 55.72260 5.250428 32.94301       5.326849      44.91584       7.360813      20.97726       7.700871      66.79456 5.510040 44.65065 8.939096 22.14391       10.50086 
1 1 1 14 21 14 o 105.3036 3.065181 111.5103       6.418573      118.2406       8.409323      104.7092       9.698705      108.5484 3.873536 102.0587 4.751533 6.489716       6.130363 
1 1 1 14 21 15 o 35.32164 6.158306 13.27639       4.373981      10.17337       5.938951      16.37940       6.422824      31.23867 9.008853 39.40460 8.398780 -8.165932      12.31661 
1 1 1 14 21 16 o 108.4209 2.758957 118.0281       5.982167      118.7365       8.338477      117.3196       8.579351      108.7538 3.833648 108.0879 3.968692 0.6659241      5.517913 
1 1 1 14 21 17 o 89.66003 3.090209 81.25941       5.511755      93.09056       7.934660      69.45662       7.651280      96.24076 4.122297 83.07929 4.604805 13.16147       6.180418 
1 1 1 14 21 18 o 108.5522 2.867907 118.5948       6.218081      109.1016       8.636027      128.0881       8.954830      104.1890 4.144404 112.9154 3.965284 -8.726357      5.735814 
1 1 1 14 21 19 o 70.93730 3.624364 51.29899       5.110771      40.77848       6.869856      61.81950       7.566265      63.55129 5.404971 78.32332 4.830148 -14.77203      7.248727 
1 1 1 14 21 20 o 205.4900 2.563545 424.2209       10.53468      432.2264       14.96250      416.2154       14.83498      207.4339 3.606571 203.5461 3.644133 3.887802       5.127090 
1 1 1 14 21 21 o 65.96822 4.047354 44.46243       5.251753      53.16930       7.353730      35.76265       7.495420      72.57224 5.066490 59.36421 6.313080 13.20802       8.094708 
1 1 1 14 21 22 o 80.15275 3.319467 65.14922       5.238293      55.30175       7.736294      75.02505       7.062556      73.97055 5.229307 86.33495 4.090207 -12.36440      6.638934 
1 1 1 14 21 23 o 24.71944 7.130363 2.397401       5.781674      7.488335       9.252379      -2.694242      6.939993      30.05940 11.31815 19.37947 8.675699 10.67993       14.26073 
1 1 1 14 21 24 o 43.82607 8.844023 21.42358       8.791886      33.34683       13.17720      9.507423       11.63278      54.45222 12.37709 33.19991 12.63624 21.25231       17.68805 
1 1 1 14 21 25 o 97.86626 3.609873 97.19958       6.998795      93.30310       11.62569      101.0252       7.800055      95.63476 6.078174 100.0977 3.896219 -4.462990      7.219745 
1 1 1 14 21 26 o 73.29520 3.769917 55.57096       5.622982      69.52037       9.131943      41.62154       6.562388      82.59709 5.528006 63.99332 5.127402 18.60377       7.539834 
1 1 1 14 21 27 o 104.6070 3.026222 110.8727       6.287509      105.4176       9.840395      116.3986       7.828392      101.8317 4.831697 107.3823 3.645103 -5.550644      6.052443 
1 1 1 14 21 28 o 149.9725 2.733615 227.7673       8.196787      228.4757       12.97175      227.1297       10.03168      149.9550 4.325216 149.9901 3.344114 -0.3509521E-01 5.467229 
1 1 1 14 21 29 f 49.83111 5.064294 26.17021       5.100144      29.05361       8.161365      23.28681       6.120315      52.36605 7.792610 47.29616 6.470203 5.069897       10.12859 
1 1 1 14 21 30 o 65.69798 3.947491 44.81666       5.095185      39.82915       7.899237      49.80416       6.438409      61.67313 6.404116 69.72283 4.617146 -8.049706      7.894982 
1 1 1 14 21 31 o 65.31983 3.915076 44.67497       5.008046      38.75231       7.700871      50.59763       6.402987      60.53766 6.360397 70.10201 4.566907 -9.564342      7.830153 
1 1 1 14 21 32 o 29.40402 6.747372 9.755382       4.592893      9.358648       7.080267      10.15211       5.852520      29.00559 10.02273 29.80245 9.036205 -0.7968597     13.49474 
1 1 1 14 21 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 21 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 21 35 o 69.92542 3.376835 52.22707       4.680741      48.77691       7.127024      55.67723       6.070015      67.08838 5.311669 72.76244 4.171118 -5.674065      6.753670 
1 1 1 14 21 36 o 37.26263 5.474082 17.58377       4.041009      11.44858       5.803638      23.71897       5.624399      28.95500 9.043199 45.57026 6.171128 -16.61526      10.94816 
1 1 1 14 21 37 o 28.11116 6.272561 11.46984       3.953869      12.94341       5.916281      9.989170       5.246085      29.71615 9.100433 26.50618 8.634941 3.209974       12.54512 
1 1 1 14 22 0  o 339.8374 4.318932 1156.902       29.34407      1156.902       29.34407      1156.902       29.34407      339.8374 4.318932 339.8374 4.318932 0.000000       0.000000 
1 1 1 14 22 1  o 173.1844 2.499215 300.4544       8.657280      305.4844       12.33415      295.4244       12.14995      174.6344 3.531420 171.7343 3.537426 2.900055       4.998430 
1 1 1 14 22 2  o 328.5051 2.998401 1081.806       19.70204      1074.721       27.70046      1088.890       28.01927      327.4314 4.229965 329.5788 4.250769 -2.147400      5.996802 
1 1 1 14 22 3  o 67.38848 4.045005 46.92076       5.384233      62.35084       8.281801      31.48360       6.885443      78.81261 5.254109 55.96435 6.151633 22.84826       8.090010 
1 1 1 14 22 4  o 107.7454 2.925851 116.5403       6.327891      125.3960       9.592437      107.6847       8.253463      111.8354 4.288642 103.6554 3.981202 8.179939       5.851703 
1 1 1 14 22 5  o 80.15260 3.831838 65.00045       6.082767      76.22942       8.699788      53.77857       8.508506      87.15138 4.991193 73.15381 5.815491 13.99757       7.663677 
1 1 1 14 22 6  o 159.0023 3.556795 254.1925       11.25021      273.4624       15.28131      234.8518       16.52110      165.0968 4.627985 152.9078 5.402307 12.18895       7.113590 
1 1 1 14 22 7  o 188.3870 3.539822 356.4221       13.31889      366.4821       17.97342      346.3621       19.65245      191.0914 4.702834 185.6826 5.291947 5.408752       7.079644 
1 1 1 14 22 8  o 54.67920 5.922366 31.61820       6.541135      20.77889       7.091603      42.45043       10.99517      44.61952 8.257398 64.73888 8.491940 -20.11935      11.84473 
1 1 1 14 22 9  o 125.1072 3.539239 157.3471       8.912323      151.1836       10.20170      163.5107       14.60828      122.7504 4.155469 127.4640 5.730352 -4.713684      7.078478 
1 1 1 14 22 10 f 217.2929 3.400864 474.6627       14.70037      492.6574       18.08677      456.5972       23.18054      221.5694 4.081514 213.0164 5.441023 8.552994       6.801727 
1 1 1 14 22 11 o 94.82181 3.054656 90.32761       5.791594      86.64365       8.125941      94.01155       8.253463      92.88235 4.374320 96.76127 4.264859 -3.878922      6.109312 
1 1 1 14 22 12 o 36.51627 6.544522 14.22571       4.861396      10.37882       6.489419      18.07261       7.240376      31.69667 9.496146 41.33588 9.008121 -9.639214      13.08904 
1 1 1 14 22 13 o 92.04624 3.091275 85.15590       5.693118      83.17223       7.955913      87.06872       8.140111      90.99272 4.371731 93.09976 4.371714 -2.107040      6.182549 
1 1 1 14 22 14 o 214.0940 2.592557 459.9977       11.10144      456.3847       15.54343      463.5400       15.85515      213.2659 3.644144 214.9222 3.688579 -1.656311      5.185113 
1 1 1 14 22 15 o 34.35876 6.546039 12.51126       4.599977      12.92216       6.456121      12.10036       6.553887      34.88598 9.142652 33.83154 9.370935 1.054440       13.09208 
1 1 1 14 22 16 o 118.8120 2.770458 141.8320       6.577267      147.7122       9.252379      136.0228       9.351563      121.2746 3.814642 116.3495 4.018739 4.925079       5.540916 
1 1 1 14 22 17 o 151.4729 2.566228 230.3885       7.778800      224.3667       10.78264      236.4104       11.20771      149.4967 3.606313 153.4490 3.651932 -3.952332      5.132455 
1 1 1 14 22 18 o 67.07082 4.312673 46.42484       5.550012      33.80732       8.182618      59.04946       7.495420      57.62609 7.099751 76.51556 4.897971 -18.88946      8.625345 
1 1 1 14 22 19 o 28.52881 6.785187 7.941744       4.585100      7.261631       6.203204      8.621859       6.753671      27.53337 9.389664 29.52426 9.797412 -1.990894      13.57037 
1 1 1 14 22 20 o 36.66700 6.597346 14.39574       4.872023      15.55052       6.561680      13.24096       7.204955      38.13803 8.778813 35.19597 9.850499 2.942062       13.19469 
1 1 1 14 22 21 o 113.4874 3.219788 130.7802       7.233293      108.1806       10.16628      153.4507       10.28672      103.5202 4.910288 123.4545 4.166198 -19.93431      6.439576 
1 1 1 14 22 22 o 99.38159 3.900033 100.3168       7.736294      94.01155       11.08727      106.6220       10.78264      96.18908 5.763269 102.5741 5.256022 -6.385033      7.800066 
1 1 1 14 22 23 o 106.0100 3.947544 114.3441       8.352647      115.6902       10.43549      113.0689       13.04968      106.8347 4.883943 105.1853 6.203187 1.649429       7.895088 
1 1 1 14 22 24 o 85.69490 3.824925 74.67081       6.592852      79.41744       10.35756      69.97379       8.161365      88.28722 5.865835 83.10258 4.910416 5.184639       7.649849 
1 1 1 14 22 25 o 29.30652 7.052617 8.558097       5.020089      8.225125       7.913406      8.891070       6.176282      29.43163 10.55330 29.18141 9.358710 0.2502270      14.10523 
1 1 1 14 22 26 o 44.94186 5.751010 21.53693       4.977582      19.12111       7.736294      23.95275       6.263422      41.66109 9.493200 48.22263 6.494277 -6.561535      11.50202 
1 1 1 14 22 27 o 47.82981 5.551970 26.71572       5.095893      42.38667       8.210957      11.03768       6.033175      63.99155 6.415657 31.66807 9.062936 32.32347       11.10394 
1 1 1 14 22 28 o 125.0888 2.902223 159.0474       7.247461      156.9929       11.37065      161.1728       8.983169      124.0129 4.584462 126.1646 3.560100 -2.151627      5.804446 
1 1 1 14 22 29 o 23.99407 6.437963 4.126023       4.687117      10.64803       7.495420      -2.395276      5.625107      31.00006 10.32142 16.98807 7.697909 14.01199       12.87593 
1 1 1 14 22 30 o 94.20949 3.288752 91.39028       6.201787      92.66550       9.521592      90.04422       7.948828      94.65877 5.029429 93.76021 4.238914 0.8985596      6.577503 
1 1 1 14 22 31 o 28.46343 6.858754 9.075267       4.720414      11.18645       7.261631      6.957705       6.030342      31.09647 10.15919 25.83040 9.217427 5.266066       13.71751 
1 1 1 14 22 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 22 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 22 34 o 52.61333 4.157673 30.31465       4.382482      31.41275       6.687785      29.21655       5.666197      53.24649 6.280025 51.98017 5.450346 1.266315       8.315346 
1 1 1 14 22 35 o 18.95167 5.645810 2.008461       3.810054      -0.5426741     5.741293      4.558887       5.009462      17.12374 7.767267 20.77960 8.195744 -3.655861      11.29162 
1 1 1 14 22 36 o 18.60078 5.489069 2.201160       3.659153      -0.9280718     5.544343      5.329682       4.777090      16.22324 7.448444 20.97832 8.064751 -4.755083      10.97814 
1 1 1 14 23 0  o 61.17405 5.681647 38.48310       6.839394      38.48310       6.839394      38.48310       6.839394      61.17405 5.681647 61.17405 5.681647 0.000000       0.000000 
1 1 1 14 23 1  o 79.51649 3.309124 63.66148       5.261672      56.68323       7.141194      70.63264       7.729208      75.14261 4.751761 83.89038 4.606731 -8.747772      6.618248 
1 1 1 14 23 2  o 129.0171 2.908766 166.9112       7.502505      167.3363       9.436578      166.5570       11.66820      129.2080 3.651700 128.8262 4.528660 0.3818054      5.817532 
1 1 1 14 23 3  o 54.05336 5.514142 31.45526       5.360146      44.95835       7.474166      17.95925       7.686701      66.86343 5.589129 41.24329 9.507086 25.62013       11.02828 
1 1 1 14 23 4  o 84.62793 3.561781 71.97870       6.004838      75.94603       8.040927      68.07513       8.919409      86.97363 4.622624 82.28223 5.420008 4.691391       7.123563 
1 1 1 14 23 5  o 23.81026 6.528481 1.362353       5.036384      -6.349145      6.552470      9.075267       7.651280      16.78894 7.857290 30.83158 10.42819 -14.04263      13.05696 
1 1 1 14 23 6  o 249.9457 3.078418 627.6174       15.42300      593.7534       20.53093      661.4814       23.01051      243.2268 4.220533 256.6646 4.482604 -13.43785      6.156837 
1 1 1 14 23 7  o 127.8582 2.920102 164.2900       7.431659      153.3798       11.00934      175.1293       9.982086      123.5829 4.454234 132.1336 3.777271 -8.550705      5.840204 
1 1 1 14 23 8  o 217.3674 2.937519 474.3793       12.76630      467.9324       18.08677      480.7554       18.03010      215.8913 4.188862 218.8435 4.119404 -2.952255      5.875037 
1 1 1 14 23 9  o 95.78161 3.819839 93.16142       7.523758      109.7392       12.73796      76.51279       8.012589      104.3052 6.106099 87.25797 4.591322 17.04727       7.639678 
1 1 1 14 23 10 o 85.53238 3.820463 73.74983       6.536885      68.91111       8.961915      78.56730       9.521592      82.72778 5.416510 88.33698 5.389358 -5.609200      7.640926 
1 1 1 14 23 11 o 191.0685 3.351938 367.1198       12.85132      357.2722       15.72763      376.9672       20.31840      188.6219 4.169088 193.5150 5.249824 -4.893097      6.703876 
1 1 1 14 23 12 o 121.4993 2.987597 148.3498       7.275800      144.0283       9.202788      152.6714       11.27855      119.7786 3.841582 123.2200 4.576591 -3.441368      5.975194 
1 1 1 14 23 13 o 48.38269 5.660537 24.20780       5.335350      24.50535       6.803263      23.90316       8.218040      49.16068 6.919415 47.60470 8.960380 1.555977       11.32107 
1 1 1 14 23 14 o 59.15637 4.686330 35.47926       5.513172      37.49126       7.197870      33.46726       8.352647      60.91359 5.908264 57.39916 7.275931 3.514423       9.372660 
1 1 1 14 23 15 o 82.31015 3.659252 68.28767       6.011213      69.70457       7.700871      66.87785       9.231127      83.22678 4.626438 81.39352 5.670677 1.833252       7.318504 
1 1 1 14 23 16 o 84.22845 3.373046 71.48279       5.681075      73.82067       8.076350      69.20866       7.991336      85.59389 4.717831 82.86302 4.822016 2.730873       6.746093 
1 1 1 14 23 17 o 152.9861 2.629458 235.1351       8.048012      234.6392       11.28564      235.7019       11.46984      152.8184 3.692500 153.1538 3.744548 -0.3354340     5.258915 
1 1 1 14 23 18 o 41.98052 6.110775 18.77397       4.962705      21.09769       7.019340      16.44317       7.016507      44.74281 8.145423 39.21824 9.111444 5.524578       12.22155 
1 1 1 14 23 19 o 22.68832 6.525009 1.377939       4.864230      5.182325       6.705496      -2.425739      7.049096      25.60528 9.636419 19.77135 8.800136 5.833927       13.05002 
1 1 1 14 23 20 o 31.39476 7.264220 9.719957       5.393443      12.83006       7.445828      6.609147       7.807138      34.70908 10.11243 28.08044 10.43141 6.628633       14.52844 
1 1 1 14 23 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 23 22 o 104.1294 3.672441 110.0934       7.637110      104.3549       10.87473      115.9027       10.72596      101.3462 5.365141 106.9126 5.016229 -5.566376      7.344882 
1 1 1 14 23 23 o 66.23482 4.422137 44.90876       5.861730      41.08312       7.984251      48.73440       8.579351      63.39877 6.296851 69.07086 6.210543 -5.672096      8.844274 
1 1 1 14 23 24 o 55.66785 4.993849 32.07870       5.566306      28.47268       7.459997      35.69180       8.260548      52.51648 7.102530 58.81923 7.021979 -6.302750      9.987699 
1 1 1 14 23 25 o 73.49492 3.842382 55.25924       5.692410      59.53121       9.054014      50.98019       6.901029      76.19304 5.941497 70.79680 4.873828 5.396240       7.684764 
1 1 1 14 23 26 f 56.14368 5.515571 35.04711       5.372190      20.09169       8.182618      50.00961       6.965498      42.32096 9.844193 69.96642 4.977744 -27.64546      11.03114 
1 1 1 14 23 27 o 81.76938 3.636352 68.69857       5.984292      73.18307       9.464915      64.19282       7.325392      84.24751 5.617327 79.29125 4.619293 4.956261       7.272704 
1 1 1 14 23 28 o 30.23005 6.743101 9.557014       4.891860      5.902820       7.658363      13.20554       6.089851      26.24383 10.18577 34.21626 8.838991 -7.972431      13.48620 
1 1 1 14 23 29 o 24.54179 6.765340 5.237584       4.825265      6.837976       7.644195      3.637192       5.887943      26.84767 10.23609 22.23591 8.848827 4.611767       13.53068 
1 1 1 14 23 30 o 34.04010 6.926207 13.64478       5.008046      13.94233       7.764632      13.34723       6.329308      34.19398 10.41627 33.88623 9.131852 0.3077469      13.85241 
1 1 1 14 23 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 23 32 o 30.91366 9.221520 7.715039       10.80389      24.44867       15.83390      -9.018591      14.69329      38.71347 14.74021 23.11385 11.08476 15.59962       18.44304 
1 1 1 14 23 33 o 46.09790 4.839708 23.82524       4.444118      23.34349       6.766423      24.30698       5.763964      45.13292 7.496106 47.06288 6.123683 -1.929955      9.679417 
1 1 1 14 23 34 o 29.03217 6.279827 11.21479       4.055887      14.30364       6.288218      8.133026       5.124940      32.75034 9.214360 25.31400 8.534663 7.436340       12.55965 
1 1 1 14 23 35 o 24.42147 6.249515 8.133026       3.983624      10.66220       6.117482      5.601020       5.102978      27.30991 9.324557 21.53302 8.323362 5.776888       12.49903 
1 1 1 14 24 0  o 24.11358 13.04749 8.522675       8.678535      8.522675       8.678535      8.522675       8.678535      24.11358 13.04749 24.11358 13.04749 0.000000       0.000000 
1 1 1 14 24 1  o 130.3768 5.056225 0.000000       0.000000      ?              ?             170.9494       13.18429      ?        ?        130.3768 5.056225 ?              ?        
1 1 1 14 24 2  o 21.52129 6.677849 -3.809345      5.873065      -9.408240      8.954830      1.788841       7.601687      19.23822 9.036130 23.80436 9.834787 -4.566139      13.35570 
1 1 1 14 24 3  o 140.1081 2.878727 197.3747       8.118857      213.4565       12.64586      181.2928       10.18045      145.7901 4.337011 134.4261 3.786636 11.36401       5.757454 
1 1 1 14 24 4  o 138.0679 2.640252 191.2820       7.289969      185.6144       10.27963      196.9496       10.33631      136.0167 3.778814 140.1192 3.688400 -4.102509      5.280505 
1 1 1 14 24 5  o 41.36222 5.760266 18.36307       4.652403      10.26547       6.473125      26.45359       6.684242      31.54533 9.490973 51.17911 6.530245 -19.63378      11.52053 
1 1 1 14 24 6  o 120.2997 2.725445 145.2326       6.558846      143.1073       9.195704      147.3580       9.351563      119.4198 3.850158 121.1795 3.858559 -1.759666      5.450890 
1 1 1 14 24 7  o 36.97024 6.163837 14.51618       4.507170      17.14453       6.497211      11.88782       6.248545      40.35323 8.334518 33.58726 9.083356 6.765968       12.32767 
1 1 1 14 24 8  o 85.52229 3.263206 73.53729       5.579058      75.94603       7.842561      71.12856       7.934660      86.93312 4.510687 84.11147 4.716753 2.821648       6.526412 
1 1 1 14 24 9  o 41.61186 5.882071 18.92275       4.885483      29.48576       7.176617      8.352647       6.629692      53.99289 6.645890 29.23083 9.707068 24.76206       11.76414 
1 1 1 14 24 10 o 50.85400 5.238248 27.06286       5.151861      34.12612       7.764632      19.99959       6.776341      58.05190 6.687664 43.65609 8.064250 14.39581       10.47650 
1 1 1 14 24 11 o 71.98743 4.162724 52.41126       5.978625      55.84726       8.366816      48.97527       8.543928      74.38170 5.624243 69.59317 6.138482 4.788528       8.325447 
1 1 1 14 24 12 o 59.37476 4.796154 36.15229       5.539385      28.30973       8.147196      43.98777       7.509589      52.74229 7.723590 66.00724 5.688458 -13.26495      9.592309 
1 1 1 14 24 13 o 74.33375 3.876383 55.86142       5.775299      60.96227       8.636027      50.76765       7.672533      77.72321 5.555630 70.94429 5.407435 6.778915       7.752766 
1 1 1 14 24 14 o 70.55765 4.041106 50.56220       5.726415      57.28542       8.749379      43.83900       7.396237      75.25621 5.813061 65.85908 5.615199 9.397133       8.082211 
1 1 1 14 24 15 o 82.50905 4.078079 69.30784       6.709038      58.40476       9.103605      80.19674       9.854564      75.94413 5.993620 89.07397 5.531674 -13.12984      8.156157 
1 1 1 14 24 16 o 44.09218 6.295602 20.39633       5.424615      23.06011       6.862064      17.72546       8.402238      47.59598 7.208659 40.58838 10.32345 7.007599       12.59120 
1 1 1 14 24 17 o 21.72168 6.663353 -0.6113939     5.367230      -1.336140      6.861355      0.1136357      8.253463      20.21624 8.866960 23.22712 9.948776 -3.010874      13.32671 
1 1 1 14 24 18 o 80.18245 4.187687 65.86476       6.766423      52.40418       8.423491      79.34660       10.59135      71.90823 5.857113 88.45668 5.986746 -16.54845      8.375375 
1 1 1 14 24 19 f 140.5045 3.338719 199.5000       9.408240      192.2030       12.01534      206.7971       14.48075      138.0406 4.352104 142.9683 5.064324 -4.927658      6.677439 
1 1 1 14 24 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 24 21 o 25.52071 6.855675 1.410527       5.729958      10.95267       7.856731      -8.133026      8.338477      32.43163 10.56727 18.60979 8.736935 13.82183       13.71135 
1 1 1 14 24 22 o 56.71227 5.096694 33.60895       5.730666      25.53969       7.622942      41.67113       8.558097      49.69772 7.669307 63.72682 6.714675 -14.02910      10.19339 
1 1 1 14 24 23 o 66.01192 4.408926 44.70331       5.822765      43.79649       8.033843      45.61013       8.430575      65.36604 6.145273 66.65780 6.323774 -1.291756      8.817851 
1 1 1 14 24 24 o 42.17081 6.488393 19.56035       5.331100      18.17179       7.098687      20.94892       7.955913      40.71743 8.959304 43.62420 9.387643 -2.906769      12.97679 
1 1 1 14 24 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 24 26 o 41.01508 6.295137 18.56144       5.197911      11.76738       8.168448      25.35549       6.428492      32.67792 10.77486 49.35223 6.512868 -16.67431      12.59027 
1 1 1 14 24 27 o 42.86674 6.161031 20.43175       5.139817      15.59302       8.062181      25.27756       6.373232      36.62812 10.47481 49.10537 6.489344 -12.47725      12.32206 
1 1 1 14 24 28 o 58.50835 4.610399 36.18772       5.367939      35.27382       8.395153      37.09454       6.693452      57.36136 7.317778 59.65534 5.610103 -2.293983      9.220798 
1 1 1 14 24 29 o 101.6272 3.260925 106.6220       6.655196      111.4395       10.47092      101.7337       8.218040      103.6330 5.051921 99.62141 4.124636 4.011620       6.521850 
1 1 1 14 24 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 24 31 o 68.18727 4.584045 50.93769       6.246420      56.86034       9.167366      45.01502       8.487252      72.28908 6.340769 64.08546 6.621823 8.203613       9.168091 
1 1 1 14 24 32 o 23.77489 6.301825 5.597477       4.308804      2.227372       6.409364      8.969000       5.760421      20.50165 8.773807 27.04814 9.048331 -6.546486      12.60365 
1 1 1 14 24 33 o 17.19722 5.461551 -3.028632      4.279757      4.560304       6.296719      -10.61969      5.798677      21.77977 8.968407 12.61467 6.235530 9.165098       10.92310 
1 1 1 14 24 34 o 22.07837 6.269980 5.743419       4.250711      7.134109       6.159280      4.349185       5.858896      23.45852 9.128469 20.69822 8.597770 2.760303       12.53996 
1 1 1 14 25 0  o 51.75308 6.574937 27.25414       6.854979      27.25414       6.854979      27.25414       6.854979      51.75308 6.574937 51.75308 6.574937 0.000000       0.000000 
1 1 1 14 25 1  f 52.33945 4.892131 27.71463       5.122815      27.45959       6.823099      27.96259       7.644195      52.13340 6.543885 52.54549 7.273882 -0.4120979     9.784263 
1 1 1 14 25 2  o 108.9178 3.058039 119.6575       6.689910      103.9299       8.657280      135.4560       10.20170      101.7223 4.255352 116.1134 4.392993 -14.39114      6.116078 
1 1 1 14 25 3  o 144.6002 3.042146 210.0560       8.806056      215.9361       13.04968      204.2466       11.83114      146.5888 4.451118 142.6116 4.148029 3.977142       6.084291 
1 1 1 14 25 4  o 146.4717 3.067644 215.5819       8.990252      218.9116       13.39682      212.2522       12.00117      147.5698 4.539147 145.3736 4.127700 2.196228       6.135289 
1 1 1 14 25 5  o 132.3694 3.711490 177.3255       9.578268      152.6714       15.17504      201.9796       11.69654      122.9394 6.171755 141.7993 4.124329 -18.85989      7.422981 
1 1 1 14 25 6  o 45.15110 6.092619 21.23938       5.335350      18.89441       8.402238      23.58436       6.575850      42.05075 10.10185 48.25144 6.814149 -6.200684      12.18524 
1 1 1 14 25 7  o 104.0424 3.418369 109.0307       7.119940      110.8019       10.73304      107.1888       9.358648      104.8621 5.117693 103.2227 4.533232 1.639458       6.836738 
1 1 1 14 25 8  o 102.2264 3.452025 105.2759       7.014381      99.89171       10.83931      110.7310       8.905238      99.50586 5.446570 104.9470 4.242733 -5.441124      6.904049 
1 1 1 14 25 9  o 78.73957 3.640908 62.57755       5.722874      57.80258       8.048012      67.35252       8.140111      75.71096 5.314959 81.76818 4.977554 -6.057220      7.281815 
1 1 1 14 25 10 o 49.06364 5.556648 26.09937       5.078182      37.30707       7.452912      14.88457       6.902445      60.74454 6.134636 37.38273 9.266692 23.36181       11.11330 
1 1 1 14 25 11 o 25.55319 6.382953 3.748418       4.738125      -3.666946      6.679283      11.16520       6.721082      18.44763 8.371821 32.65875 9.637476 -14.21112      12.76591 
1 1 1 14 25 12 o 52.46669 4.847228 28.03344       5.068973      25.70972       7.219123      30.35716       7.119940      50.24619 7.183752 54.68718 6.509698 -4.440987      9.694455 
1 1 1 14 25 13 o 111.3777 2.983707 125.1126       6.622607      137.3688       9.372816      112.8564       9.358648      116.8793 4.009613 105.8762 4.419620 11.00315       5.967414 
1 1 1 14 25 14 o 91.22797 3.359466 83.88069       6.128108      82.81801       8.671450      84.94337       8.664365      90.64524 4.783180 91.81068 4.718604 -1.165443      6.718931 
1 1 1 14 25 15 o 113.4488 3.273260 130.1426       7.467082      143.6032       11.52651      116.6820       9.507423      119.2895 4.831319 107.6082 4.417611 11.68127       6.546520 
1 1 1 14 25 16 o 73.02392 4.397759 54.40910       6.453288      62.18790       9.897071      46.63738       8.288886      78.24981 6.324023 67.79803 6.112926 10.45178       8.795518 
1 1 1 14 25 17 o 35.11846 7.884325 12.58210       6.389527      10.06001       9.804973      15.10419       8.196787      32.81316 11.74894 37.42377 10.51726 -4.610611      15.76865 
1 1 1 14 25 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 25 19 o 94.56503 4.519456 91.60282       8.558097      85.65182       11.48400      97.48296       12.70254      91.54624 6.272242 97.58383 6.508527 -6.037590      9.038913 
1 1 1 14 25 20 o 41.87297 7.268798 19.78706       6.351271      10.49926       7.941744      29.06778       9.911241      31.95820 10.62428 51.78773 9.923027 -19.82953      14.53760 
1 1 1 14 25 21 o 43.44953 6.942012 20.65137       5.931159      22.42250       7.502505      18.88024       9.188620      45.68878 8.527465 41.21029 10.95666 4.478497       13.88402 
1 1 1 14 25 22 o 24.55081 7.131520 2.855769       5.703745      -0.4830225     7.033509      6.194703       8.983169      20.81692 9.054350 28.28470 11.02057 -7.467777      14.26304 
1 1 1 14 25 23 o 65.03416 4.922629 44.46952       6.509964      34.36700       7.644195      54.57204       10.54176      57.65672 6.629058 72.41159 7.279058 -14.75487      9.845258 
1 1 1 14 25 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 25 25 o 32.98501 7.246639 10.69054       6.007671      16.90366       7.112856      4.480249       9.684536      38.83657 9.272278 27.13346 11.13912 11.70311       14.49328 
1 1 1 14 25 26 o 25.35138 7.049668 4.888317       5.335350      7.672533       7.672533      2.108352       7.410406      27.92428 10.34752 22.77847 9.577057 5.145807       14.09934 
1 1 1 14 25 27 o 46.87639 5.736626 24.37074       5.302053      27.08411       8.494337      21.66446       6.346311      48.75594 9.050164 44.99684 7.051952 3.759106       11.47325 
1 1 1 14 25 28 o 19.62140 6.205406 -2.044592      5.146194      -4.726790      8.033843      0.6384568      6.428492      19.07123 8.838058 20.17157 8.713037 -1.100334      12.41081 
1 1 1 14 25 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 25 30 o 18.75177 6.204944 -5.479167      5.891485      -10.46383      8.033843      -0.4937200     8.621859      16.21421 7.870663 21.28933 9.594686 -5.075121      12.40989 
1 1 1 14 25 31 o 34.98973 6.601820 15.74888       5.040634      22.85465       7.382068      8.643111       6.867732      43.24391 8.840763 26.73554 9.806988 16.50836       13.20364 
1 1 1 14 25 32 o 26.86540 6.859087 9.578268       4.796218      12.44750       7.240376      6.711164       6.289635      29.89753 10.14431 23.83328 9.234778 6.064249       13.71817 
1 1 1 14 25 33 o 34.23669 5.903468 15.37340       4.759379      6.991711       7.360813      23.75439       6.038843      23.59269 9.702695 44.88069 6.727663 -21.28800      11.80694 
1 1 1 14 25 34 o 26.94399 6.704134 11.52651       4.557470      12.50417       7.268716      10.55593       5.502545      27.27260 10.07842 26.61539 8.843480 0.6572170      13.40827 
1 1 1 14 26 0  o 151.5959 3.804700 230.7427       11.51943      230.7427       11.51943      230.7427       11.51943      151.5959 3.804700 151.5959 3.804700 0.000000       0.000000 
1 1 1 14 26 1  o 72.74319 3.829621 53.99111       5.516714      42.50002       7.502505      65.48220       8.097604      64.86864 5.782844 80.61775 5.022222 -15.74911      7.659242 
1 1 1 14 26 2  o 87.60837 3.361783 77.29209       5.888652      74.74166       8.295970      79.84251       8.359732      86.15505 4.814559 89.06168 4.693225 -2.906631      6.723566 
1 1 1 14 26 3  o 63.35220 4.553737 41.53653       5.760421      29.37241       7.233293      53.70064       8.961915      53.83438 6.718099 72.87003 6.149246 -19.03566      9.107473 
1 1 1 14 26 4  o 69.23453 3.903172 48.40851       5.399111      51.20689       7.700871      45.61013       7.573349      71.25024 5.404101 67.21881 5.633356 4.031433       7.806344 
1 1 1 14 26 5  f 44.75955 5.936085 21.11895       5.116439      26.53152       7.043427      15.70638       7.424574      51.15261 6.884719 38.36649 9.672077 12.78612       11.87217 
1 1 1 14 26 6  o 54.09367 4.752029 29.65579       5.139110      30.53427       7.183701      28.77731       7.346645      54.91371 6.540900 53.27363 6.895199 1.640079       9.504059 
1 1 1 14 26 7  o 111.6684 3.149628 125.4668       7.042719      120.1534       9.535762      130.8510       10.36465      109.3013 4.362144 114.0355 4.544484 -4.734200      6.299257 
1 1 1 14 26 8  o 147.0021 3.186510 217.4947       9.365732      216.7154       13.93525      218.3448       12.51834      146.6729 4.750449 147.3313 4.248366 -0.6583252     6.373020 
1 1 1 14 26 9  o 133.1489 3.743817 179.3800       10.08835      194.1158       16.60611      164.6442       11.46275      138.4410 5.997541 127.8568 4.482652 10.58417       7.487635 
1 1 1 14 26 10 o 112.7843 3.434581 128.3006       7.736294      126.1753       11.82406      130.3551       9.975000      111.7792 5.289027 113.7893 4.383100 -2.010178      6.869161 
1 1 1 14 26 11 o 146.1771 3.083876 215.0860       8.997337      209.2767       13.63061      220.8953       11.73905      144.1207 4.728887 148.2335 3.959647 -4.112747      6.167753 
1 1 1 14 26 12 o 108.8626 3.842149 120.7202       8.331393      142.3280       12.28455      99.18325       11.25021      118.7194 5.173778 99.00585 5.681591 19.71352       7.684299 
1 1 1 14 26 13 o 29.02143 7.409519 6.743044       6.009089      14.43116       9.606606      -0.9471999     7.219123      37.01733 11.64946 21.02554 9.159371 15.99179       14.81904 
1 1 1 14 26 14 o 79.95128 3.964468 64.76666       6.337101      68.66315       9.061099      60.87017       8.855647      82.37680 5.499788 77.52576 5.711422 4.851036       7.928935 
1 1 1 14 26 15 o 124.2086 3.229742 155.7177       8.026759      147.9247       11.08727      163.5815       11.60444      121.0826 4.578393 127.3347 4.556670 -6.252090      6.459483 
1 1 1 14 26 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 26 17 o 67.22459 5.315557 46.68697       7.127024      49.61288       9.861650      43.76107       10.28672      69.44617 7.100211 65.00301 7.912496 4.443161       10.63111 
1 1 1 14 26 18 o 55.59300 5.776394 32.73047       6.232251      26.08519       8.416408      39.36866       9.188620      49.36226 8.845488 61.82373 7.431304 -12.46147      11.55279 
1 1 1 14 26 19 o 153.0121 3.148356 236.8354       9.634944      235.3477       14.23988      238.3232       12.97175      152.4437 4.670537 153.5805 4.223113 -1.136734      6.296713 
1 1 1 14 26 20 o 79.92946 4.392636 66.12688       6.866314      52.79383       9.982086      79.48829       9.429493      71.52500 6.978039 88.33392 5.337414 -16.80891      8.785273 
1 1 1 14 26 21 o 62.87263 5.264657 41.16813       6.560264      37.68963       9.826226      44.64663       8.699788      59.95665 8.194443 65.78861 6.611926 -5.831966      10.52931 
1 1 1 14 26 22 o 73.71948 4.666076 56.58405       6.786260      48.31641       9.889987      64.85876       9.294888      68.02895 7.268955 79.41001 5.852466 -11.38107      9.332152 
1 1 1 14 26 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 26 24 o 19.82417 6.577257 -7.105771      6.711873      -4.964122      7.098687      -9.245295      11.39190      17.93501 8.310071 21.71333 10.19725 -3.778322      13.15451 
1 1 1 14 26 25 o 85.87047 5.056602 78.63815       8.876901      67.17540       9.535762      90.04422       14.96959      80.33637 5.934896 91.40456 8.188643 -11.06818      10.11320 
1 1 1 14 26 26 o 74.56769 4.765570 59.39660       7.061139      62.08872       9.096521      56.70448       10.80389      76.80039 5.922184 72.33499 7.467956 4.465401       9.531140 
1 1 1 14 26 27 o 31.15539 7.917484 10.50634       7.304138      -3.563512      7.445828      24.57619       12.57502      18.88340 8.653814 43.42738 13.26114 -24.54397      15.83497 
1 1 1 14 26 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 26 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 26 30 o 20.04022 6.096744 0.2959911E-01  4.833058      -4.762213      7.559181      4.821014       6.021132      17.63435 8.288397 22.44609 8.943355 -4.811749      12.19349 
1 1 1 14 26 31 o 23.50518 6.005448 4.059429       4.531257      -3.674031      6.967623      11.78864       5.795135      17.01111 7.986409 29.99926 8.971004 -12.98815      12.01090 
1 1 1 14 26 32 o 19.92371 6.021779 3.231957       4.274798      2.707703       6.311597      3.756212       5.767506      19.69647 8.572219 20.15096 8.459572 -0.4544964     12.04356 
1 1 1 14 26 33 o 18.53600 5.798879 2.353477       4.286133      1.516795       6.487293      3.190867       5.603854      18.25211 8.268965 18.81988 8.132172 -0.5677662     11.59776 
1 1 1 14 27 0  o 87.35195 4.828228 77.29209       8.380984      77.29209       8.380984      77.29209       8.380984      87.35195 4.828228 87.35195 4.828228 0.000000       0.000000 
1 1 1 14 27 1  o 143.4493 2.761640 206.7971       7.920490      204.2466       11.21479      209.4184       11.19354      142.5473 3.933708 144.3513 3.877185 -1.804016      5.523280 
1 1 1 14 27 2  o 58.01921 5.881563 36.02477       6.101895      23.39308       9.386987      48.64938       7.800055      46.66064 10.33298 69.37777 5.621436 -22.71712      11.76313 
1 1 1 14 27 3  o 97.70110 3.230392 96.20776       6.313722      99.11240       9.039845      93.23225       8.813140      99.19670 4.556525 96.20551 4.580372 2.991196       6.460784 
1 1 1 14 27 4  o 37.11234 6.535422 14.74288       4.838726      15.51509       6.940702      13.97775       6.744461      38.07389 9.203289 36.15077 9.281511 1.923122       13.07084 
1 1 1 14 27 5  o 88.44405 3.339146 78.85069       5.905654      78.14223       8.373900      79.55913       8.331393      88.04174 4.755642 88.84636 4.688652 -0.8046188     6.678292 
1 1 1 14 27 6  o 137.3773 3.120927 190.2193       8.529759      201.9796       11.21479      178.3882       12.84423      141.7327 3.956316 133.0218 4.827867 8.710938       6.241854 
1 1 1 14 27 7  o 89.66205 3.522875 81.11773       6.318681      78.92152       8.848563      83.24309       9.018591      88.46426 5.001208 90.85984 4.962914 -2.395576      7.045750 
1 1 1 14 27 8  o 50.07920 5.669713 26.19855       5.514588      30.96643       8.076350      21.43775       7.516674      55.13963 7.323545 45.01878 8.657269 10.12085       11.33943 
1 1 1 14 27 9  o 97.56705 3.625087 96.27859       7.051930      103.0089       9.762465      89.47746       10.17337      101.0539 4.830328 94.08024 5.406751 6.973625       7.250174 
1 1 1 14 27 10 o 121.0490 3.627874 148.2081       8.841478      140.0609       10.54885      156.2845       14.19029      117.8821 4.474319 124.2159 5.711946 -6.333748      7.255747 
1 1 1 14 27 11 o 37.63966 7.480643 15.24588       5.902820      12.66003       8.097604      17.82465       8.593520      34.68639 10.65166 40.59295 10.50630 -5.906559      14.96129 
1 1 1 14 27 12 o 138.3839 3.229867 193.1948       8.919409      201.5545       12.13578      184.8351       13.07094      141.4472 4.289863 135.3205 4.829621 6.126663       6.459733 
1 1 1 14 27 13 o 52.78170 7.672304 30.25797       7.913406      20.77889       12.07910      39.73706       10.23713      43.48312 12.94124 62.08029 8.245070 -18.59718      15.34461 
1 1 1 14 27 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 27 15 o 82.75856 5.027405 70.46262       8.331393      71.69532       12.87965      69.22282       10.57010      83.27366 7.733330 82.24345 6.426104 1.030205       10.05481 
1 1 1 14 27 16 o 115.1971 3.797696 134.8184       8.742295      133.6140       13.36848      135.9519       11.26438      114.5370 5.835883 115.8572 4.861322 -1.320221      7.595392 
1 1 1 14 27 17 o 22.28578 6.986706 -2.206827      6.256337      1.836307       9.911241      -6.249253      7.637110      26.16345 11.04158 18.40811 8.563869 7.755342       13.97341 
1 1 1 14 27 18 o 90.87764 4.110898 84.37660       7.474166      85.36844       11.13686      83.38477       9.975000      91.31543 6.098018 90.43984 5.514716 0.8755875      8.221795 
1 1 1 14 27 19 o 29.20240 6.403723 5.226249       5.453662      17.21538       7.254546      -6.762880      8.147196      39.57149 9.311142 18.83331 8.793937 20.73818       12.80745 
1 1 1 14 27 20 o 82.13281 3.953191 69.10947       6.475958      72.47462       8.841478      65.77267       9.464915      84.23993 5.247796 80.02570 5.913673 4.214233       7.906383 
1 1 1 14 27 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 27 22 f 98.71161 3.789553 100.3168       7.516674      108.3223       11.50526      92.31127       9.670367      102.5286 5.610753 94.89458 5.095321 7.634056       7.579106 
1 1 1 14 27 23 o 36.94038 7.946970 15.34507       6.815306      10.79680       10.71888      19.90041       8.423491      32.38070 12.18412 41.50007 10.20611 -9.119377      15.89394 
1 1 1 14 27 24 o 57.27562 6.319519 36.54194       7.006588      30.44217       9.719957      42.64880       10.09544      51.66010 9.763536 62.89114 8.026121 -11.23103      12.63904 
1 1 1 14 27 25 o 70.74173 5.752372 55.23090       8.140111      56.47069       11.57610      53.99820       11.44150      71.57266 8.086958 69.91080 8.182924 1.661858       11.50474 
1 1 1 14 27 26 o 49.29987 7.471157 29.55661       7.197870      25.83724       9.082352      33.27598       11.17229      46.50305 10.05033 52.09670 11.05729 -5.593655      14.94231 
1 1 1 14 27 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 27 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 27 29 o 39.22587 6.760120 19.73038       5.278674      22.40833       7.948828      17.05243       6.952037      41.89122 9.675392 36.56052 9.443711 5.330696       13.52024 
1 1 1 14 27 30 o 38.62083 6.525972 19.64537       5.032133      16.52818       7.360813      22.76256       6.860647      34.47990 10.05739 42.76175 8.318780 -8.281857      13.05194 
1 1 1 14 27 31 o 37.59337 6.429792 19.44700       4.873440      15.33090       6.987460      23.57019       6.794761      32.34185 9.887064 42.84489 8.222826 -10.50304      12.85958 
1 1 1 14 27 32 o 25.13845 6.519540 9.712874       4.486625      14.48075       6.880484      4.948535       5.759005      29.89651 9.888968 20.38040 8.498584 9.516115       13.03908 
1 1 1 14 28 0  o 87.85069 5.054960 78.28393       8.820225      78.28393       8.820225      78.28393       8.820225      87.85069 5.054960 87.85069 5.054960 0.000000       0.000000 
1 1 1 14 28 1  o 57.69241 4.728930 33.82149       5.454370      35.04002       7.785885      32.60295       7.644195      58.74009 6.627403 56.64472 6.747491 2.095371       9.457859 
1 1 1 14 28 2  o 153.4025 2.821816 236.6938       8.657280      231.7346       12.21371      241.6529       12.27038      151.7881 4.023275 155.0169 3.957758 -3.228714      5.643633 
1 1 1 14 28 3  f 51.39050 5.282444 26.99910       5.421782      29.28031       7.771716      24.71788       7.559181      53.59541 7.250357 49.18559 7.684345 4.409821       10.56489 
1 1 1 14 28 4  o 95.82003 3.375667 92.73634       6.460372      100.5293       9.280719      85.01421       8.990252      99.85484 4.647106 91.78522 4.897440 8.069611       6.751334 
1 1 1 14 28 5  o 88.87666 3.619725 79.84251       6.434159      81.11773       9.011506      78.49645       9.181536      89.62253 5.027478 88.13081 5.209039 1.491722       7.239449 
1 1 1 14 28 6  o 31.00969 7.041988 8.175533       5.737751      -1.059135      7.856731      17.41375       8.366816      21.88444 9.544204 40.13495 10.35696 -18.25051      14.08398 
1 1 1 14 28 7  o 105.6954 3.948105 113.1397       8.281801      107.5430       13.03551      118.7365       10.23004      102.8965 6.334285 108.4944 4.714549 -5.597931      7.896210 
1 1 1 14 28 8  o 31.11861 7.694109 9.202788       5.917697      9.599521       8.274716      8.806056       8.458915      31.45961 10.83864 30.77761 10.92342 0.6819935      15.38822 
1 1 1 14 28 9  o 135.2007 3.222330 184.5517       8.699788      173.4290       12.29872      195.6035       12.31289      131.1011 4.690549 139.3004 4.419548 -8.199280      6.444661 
1 1 1 14 28 10 o 54.53978 6.774016 31.48360       7.254546      34.45201       10.71179      28.51518       9.783719      57.56833 9.303545 51.51123 9.848514 6.057102       13.54803 
1 1 1 14 28 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 28 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 28 13 o 155.3723 3.114564 243.9908       9.677451      241.6529       13.60936      246.3287       13.76522      154.6293 4.400639 156.1151 4.408675 -1.485794      6.229128 
1 1 1 14 28 14 o 31.72533 7.796501 9.932493       6.094102      7.863815       8.281801      12.00117       8.940661      29.47485 10.77353 33.97581 11.27266 -4.500961      15.59300 
1 1 1 14 28 15 o 26.42210 7.361921 4.774965       5.739877      3.714412       7.835476      5.835517       8.388069      25.23182 10.14425 27.61238 10.67172 -2.380562      14.72384 
1 1 1 14 28 16 o 65.24132 4.922195 44.22865       6.428492      36.44276       8.409323      52.01453       9.727042      59.42118 7.076032 71.06145 6.844107 -11.64028      9.844390 
1 1 1 14 28 17 o 33.61626 7.724360 12.11453       5.957372      11.80281       7.863815      12.43333       8.954830      33.11461 10.55409 34.11792 11.28159 -1.003307      15.44872 
1 1 1 14 28 18 o 53.75542 6.297234 31.22855       6.623316      36.66238       9.925409      25.79473       8.770633      58.99153 8.412573 48.51931 9.372791 10.47222       12.59447 
1 1 1 14 28 19 o 41.85270 11.64826 0.000000       0.000000      ?              ?             20.31840       10.10252      ?        ?        41.85270 11.64826 ?              ?        
1 1 1 14 28 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 28 21 o 26.65489 7.707687 3.725039       6.761464      -1.479956      9.124859      8.933578       9.975000      22.60955 10.04125 30.70023 11.69646 -8.090677      15.41537 
1 1 1 14 28 22 o 23.64153 7.463443 -1.485623      7.212039      -2.348518      10.55593      -0.6231542     9.826226      23.57228 10.62039 23.71076 10.48901 -0.1384792     14.92689 
1 1 1 14 28 23 o 71.23105 5.186267 54.62163       7.332476      58.97861       9.889987      50.25757       10.83223      74.53207 6.634719 67.93003 7.973078 6.602036       10.37253 
1 1 1 14 28 24 o 105.0067 3.757764 115.0526       7.892153      107.6847       10.94558      122.4205       11.36357      101.5818 5.387572 108.4317 5.239965 -6.849960      7.515528 
1 1 1 14 28 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 28 26 o 25.36965 7.070109 3.443075       6.405821      -9.273635      9.018591      16.15978       9.096521      17.36575 8.405794 33.37354 11.37051 -16.00779      14.14022 
1 1 1 14 28 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 28 28 o 26.15615 7.026052 7.722124       5.445160      14.11944       8.189702      1.326930       7.176617      31.90691 10.78887 20.40539 9.003433 11.50152       14.05210 
1 1 1 14 28 29 o 27.38996 6.861305 10.03168       4.829516      11.74613       6.315140      8.317224       7.311223      29.37285 9.467666 25.40707 9.933446 3.965784       13.72261 
1 1 1 14 28 30 o 22.89830 6.423258 4.898944       5.119981      16.18104       8.345562      -6.381025      5.930449      31.71426 10.88894 14.08233 6.816456 17.63193       12.84652 
1 1 1 14 29 0  o 116.8321 4.771290 137.7939       11.10852      137.7939       11.10852      137.7939       11.10852      116.8321 4.771290 116.8321 4.771290 0.000000       0.000000 
1 1 1 14 29 1  o 93.25580 3.905137 88.20225       7.275800      96.91621       10.57010      79.55913       10.00334      97.87766 5.399650 88.63393 5.643064 9.243721       7.810275 
1 1 1 14 29 2  f 67.57376 4.878057 46.88534       6.523424      38.69564       9.153197      55.07504       9.294888      61.52368 7.438760 73.62385 6.312417 -12.10017      9.756113 
1 1 1 14 29 3  o 24.23913 7.099764 0.9245296      5.877316      -3.703078      8.366816      5.552136       8.253463      20.98421 9.454740 27.49404 10.59408 -6.509823      14.19953 
1 1 1 14 29 4  o 78.93610 4.334481 63.32851       6.841519      60.78516       9.606606      65.86476       9.741212      77.33605 6.210949 80.53614 6.047728 -3.200089      8.668962 
1 1 1 14 29 5  o 107.5596 3.722840 117.1779       8.005506      112.0062       11.12269      122.3496       11.52651      105.1792 5.287499 109.9399 5.242185 -4.760796      7.445680 
1 1 1 14 29 6  o 119.8215 3.997925 145.7994       9.599521      150.6877       14.61536      140.9819       12.45458      121.6991 6.004710 117.9439 5.279873 3.755188       7.995850 
1 1 1 14 29 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 29 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 29 9  o 87.96553 5.121805 79.77167       9.032760      75.02505       12.00826      84.51830       13.48892      85.42067 7.028895 90.51039 7.451588 -5.089722      10.24361 
1 1 1 14 29 10 o 107.4998 3.824443 117.7447       8.203872      130.2843       11.83823      105.2051       11.36357      113.2970 5.224422 101.7025 5.586669 11.59451       7.648886 
1 1 1 14 29 11 o 30.07217 7.748796 8.239295       6.076391      6.816723       8.473083      9.656199       8.713958      28.64518 10.81895 31.49917 11.09620 -2.853998      15.49759 
1 1 1 14 29 12 o 88.64121 4.029540 79.98421       7.141194      80.69266       10.25130      79.34660       9.953747      88.99683 5.759361 88.28559 5.637244 0.7112427      8.059079 
1 1 1 14 29 13 o 112.4149 3.593074 128.3715       8.069265      129.9301       10.91016      126.8129       11.90199      113.1851 4.819609 111.6447 5.330300 1.540443       7.186148 
1 1 1 14 29 14 o 37.24368 7.225631 15.27422       5.842602      8.643111       8.012589      21.90533       8.501422      29.86122 10.62800 44.62614 9.792068 -14.76492      14.45126 
1 1 1 14 29 15 o 60.60033 5.120974 38.09346       6.208871      37.04494       8.643111      39.14196       8.912323      59.76970 7.230346 61.43095 7.253935 -1.661255      10.24195 
1 1 1 14 29 16 o 58.89872 5.257012 36.28690       6.130233      40.94143       8.444746      31.63237       8.883986      62.91175 6.711580 54.88570 8.093169 8.026054       10.51402 
1 1 1 14 29 17 o 48.97601 15.75382 0.000000       0.000000      ?              ?             30.15879       17.49167      ?        ?        48.97601 15.75382 ?              ?        
1 1 1 14 29 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 29 19 o 20.05663 6.647945 -7.814223      6.731709      -10.94558      8.756464      -4.677907      10.22296      17.78920 8.537491 22.32406 10.19274 -4.534857      13.29589 
1 1 1 14 29 20 o 58.21178 6.299892 37.17247       7.396237      32.14954       9.181536      42.20247       11.60444      54.51736 8.420743 61.90619 9.372601 -7.388828      12.59978 
1 1 1 14 29 21 o 30.65257 7.934335 9.826226       6.434867      11.70362       8.713958      7.941744       9.472000      32.20738 11.12005 29.09775 11.32074 3.109629       15.86867 
1 1 1 14 29 22 f 28.97914 7.741135 7.537927       6.642444      0.8572266      9.642029      14.21154       9.139028      23.81993 10.47896 34.13834 11.39702 -10.31841      15.48227 
1 1 1 14 29 23 o 54.39104 7.185724 34.83458       7.502505      26.86449       10.99517      42.81174       10.20879      46.39065 11.81549 62.39143 8.181245 -16.00078      14.37145 
1 1 1 14 29 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 29 25 o 19.14621 6.342802 -5.034966      6.132358      -3.899319      8.947746      -6.170615      8.388069      19.97087 9.282684 18.32155 8.646173 1.649326       12.68560 
1 1 1 14 29 26 o 50.69036 6.595888 32.05745       6.502879      36.25148       10.29380      27.85633       7.948828      53.35763 10.01521 48.02309 8.585944 5.334541       13.19178 
1 1 1 14 29 27 o 22.29916 6.602542 3.945368       5.083850      7.396237       7.254546      0.4937200      7.119940      24.98598 9.860230 19.61234 8.783512 5.373638       13.20508 
1 1 1 14 29 28 o 29.69737 7.714862 13.13470       6.305221      8.558097       9.103605      17.71838       8.728126      25.58593 10.67821 33.80882 11.13787 -8.222897      15.42972 
1 1 1 14 29 29 o 26.85164 7.518094 11.39190       6.320098      3.236208       7.679617      19.55327       10.03876      20.76648 9.218619 32.93681 11.87872 -12.17033      15.03619 
1 1 1 14 30 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 30 1  o 38.74624 10.64903 1.831348       14.73580      -20.80014      24.20071      24.46284       16.81865      30.99427 14.64805 46.49821 15.46097 -15.50393      21.29806 
1 1 1 14 30 2  o 62.01553 6.597412 41.28149       7.842561      50.07337       11.19354      32.48960       10.99517      69.48073 8.055139 54.55033 10.45075 14.93039       13.19482 
1 1 1 14 30 3  o 49.53902 7.540557 27.21872       7.509589      37.90217       10.83223      16.54235       10.40716      60.19483 8.997640 38.88320 12.10300 21.31163       15.08111 
1 1 1 14 30 4  o 84.28725 4.508660 72.89968       7.594603      64.59663       10.34340      81.18858       11.12269      79.43541 6.510570 89.13908 6.238955 -9.703667      9.017321 
1 1 1 14 30 5  o 48.88129 7.149142 26.24105       6.891819      36.20897       9.429493      16.27314       10.05293      59.15031 7.970788 38.61227 11.87045 20.53805       14.29828 
1 1 1 14 30 6  o 63.19491 5.399536 41.25315       6.816723      44.23573       9.741212      38.27057       9.535762      65.53345 7.432245 60.85637 7.834645 4.677078       10.79907 
1 1 1 14 30 7  f 77.33719 4.479809 61.12522       6.926533      62.37918       9.677451      59.87126       9.911241      78.16808 6.190156 76.50629 6.477402 1.661781       8.959619 
1 1 1 14 30 8  o 31.03574 7.679544 8.699788       6.201078      13.97775       8.728126      3.418280       8.813140      35.96869 11.06126 26.10279 10.65599 9.865908       15.35909 
1 1 1 14 30 9  f 57.90877 5.582120 34.82040       6.441244      38.00844       9.096521      31.63946       9.124859      60.66161 7.497758 55.15594 8.271874 5.505669       11.16424 
1 1 1 14 30 10 o 44.26958 7.156859 21.67154       6.225874      18.02301       8.607689      25.32715       8.997337      40.33531 10.55024 48.20386 9.673409 -7.868553      14.31372 
1 1 1 14 30 11 o 56.72982 5.425311 33.53102       6.135192      37.33541       8.806056      29.73372       8.543928      60.04671 7.332671 53.41293 7.997996 6.633778       10.85062 
1 1 1 14 30 12 o 57.25832 5.470099 34.16863       6.256337      35.92559       8.834394      32.41875       8.862731      58.79328 7.513098 55.72335 7.952440 3.069923       10.94020 
1 1 1 14 30 13 o 60.02283 5.690739 38.72398       6.431325      48.72731       8.969000      28.72772       9.216957      68.73509 6.524324 51.31056 9.325837 17.42453       11.38148 
1 1 1 14 30 14 o 77.41279 5.931831 63.99445       8.862731      49.62704       13.20554      78.35477       11.81698      67.90948 9.722898 86.91609 6.797922 -19.00661      11.86366 
1 1 1 14 30 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 30 16 o 23.62659 8.184383 -20.22630      13.25513      -8.756464      9.479085      -31.68905      24.76039      19.56186 9.219656 27.69133 13.52533 -8.129473      16.36877 
1 1 1 14 30 17 o 65.48778 5.195660 45.63138       6.729583      55.35843       9.833311      35.90434       9.188620      72.80013 6.753634 58.17542 7.897339 14.62471       10.39132 
1 1 1 14 30 18 o 39.46918 7.263317 18.32056       5.914155      12.80881       7.693786      23.83940       8.983169      33.45203 10.40508 45.48632 10.13694 -12.03429      14.52663 
1 1 1 14 30 19 o 56.27528 5.545968 34.05528       6.244294      32.19205       8.593520      35.91851       9.061099      54.73092 7.850699 57.81963 7.835659 -3.088707      11.09194 
1 1 1 14 30 20 o 19.17179 6.269144 -4.969789      5.749794      -1.543008      7.828392      -8.395153      8.423491      20.43958 9.180659 17.90399 8.539562 2.535591       12.53829 
1 1 1 14 30 21 o 20.85751 6.690351 -3.576265      6.252087      0.1968788      7.998421      -7.346645      9.613690      21.81904 9.571715 19.89597 9.350158 1.923071       13.38070 
1 1 1 14 30 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 30 23 o 25.69540 7.432130 4.027548       7.127024      14.93416       9.358648      -6.876233      10.76138      31.68117 11.46499 19.70962 9.460460 11.97155       14.86426 
1 1 1 14 30 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 30 25 o 30.79753 6.929180 7.020049       6.970457      21.47317       7.849646      -7.431659      11.51943      40.94950 9.717798 20.64555 9.880210 20.30395       13.85836 
1 1 1 14 30 26 o 39.49007 7.147331 21.61486       5.746252      16.91783       7.032801      26.31898       9.089437      35.44411 9.659413 43.53602 10.53722 -8.091908      14.29466 
1 1 1 14 30 27 o 29.31413 7.127951 10.59844       6.417156      -2.970538      9.011506      24.16529       9.139028      18.96968 8.954889 39.65858 11.09237 -20.68891      14.25590 
1 1 1 14 30 28 o 15.92024 5.437321 -5.841893      5.241835      -7.038468      7.679617      -4.644610      7.134109      15.76007 7.664320 16.08040 7.714663 -0.3203297     10.87464 
1 1 1 14 31 0  o 24.35393 12.99286 9.103605       8.508506      9.103605       8.508506      9.103605       8.508506      24.35393 12.99286 24.35393 12.99286 0.000000       0.000000 
1 1 1 14 31 1  o 30.52319 7.323865 7.962997       5.949578      0.3360187      8.409323      15.58594       8.416408      23.36314 10.02582 37.68323 10.67890 -14.32009      14.64773 
1 1 1 14 31 2  o 28.00840 7.315171 5.112897       5.987126      -2.085682      8.529759      12.31289       8.402238      21.97929 9.741472 34.03752 10.91561 -12.05823      14.63034 
1 1 1 14 31 3  o 58.64305 5.634678 35.91142       6.557429      30.05961       9.103605      41.76323       9.443663      53.69360 8.477366 63.59251 7.425137 -9.898907      11.26936 
1 1 1 14 31 4  o 63.49659 5.217951 41.64988       6.618357      42.45043       9.004422      40.85641       9.705790      64.20261 7.012504 62.79056 7.728701 1.412052       10.43590 
1 1 1 14 31 5  o 67.08410 7.260062 50.90935       8.253463      74.67081       9.627860      27.15496       13.41808      85.57057 5.625684 48.59763 13.38603 36.97294       14.52012 
1 1 1 14 31 6  o 44.38750 7.935413 22.08953       7.112856      23.44975       11.19354      20.73638       8.777717      45.49324 12.09203 43.28175 10.27940 2.211491       15.87083 
1 1 1 14 31 7  f 23.57825 7.033347 -1.925572      6.352687      -9.719957      9.833311      5.868106       8.040927      19.96546 9.404156 27.19105 10.46106 -7.225595      14.06669 
1 1 1 14 31 8  o 28.42594 7.786903 6.264131       6.367565      7.417490       8.359732      5.107229       9.606606      28.87161 10.78053 27.98027 11.23938 0.8913403      15.57381 
1 1 1 14 31 9  o 64.68810 5.167209 43.44935       6.684242      43.08095       9.386987      43.81774       9.521592      64.42100 7.285657 64.95521 7.329352 -0.5342102     10.33442 
1 1 1 14 31 10 o 24.22753 7.371933 -0.8728126     6.740918      -7.141194      9.252379      5.394860       9.804973      20.18513 9.404299 28.26993 11.35521 -8.084797      14.74387 
1 1 1 14 31 11 o 60.87236 6.920933 41.96868       8.090520      58.44019       12.55377      25.49718       10.20170      74.32804 8.444839 47.41668 10.96731 26.91136       13.84187 
1 1 1 14 31 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 31 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 31 14 o 30.96029 7.293481 9.089437       5.977208      0.4477415      8.140111      17.72546       8.749379      22.66235 9.796964 39.25822 10.80736 -16.59586      14.58696 
1 1 1 14 31 15 o 49.59817 6.498735 27.43834       6.218790      25.58219       8.288886      29.29448       9.273635      47.99818 8.967470 51.19815 9.408439 -3.199974      12.99747 
1 1 1 14 31 16 o 45.33068 6.745650 23.57019       6.099061      15.86932       8.168448      31.27106       9.054014      36.90206 10.54058 53.75929 8.420883 -16.85723      13.49130 
1 1 1 14 31 17 o 29.13971 7.625387 8.650196       5.938951      6.763589       8.097604      10.54176       8.692703      27.20358 10.49120 31.07583 11.06891 -3.872252      15.25077 
1 1 1 14 31 18 o 30.68211 7.797421 10.57010       6.176991      12.63878       8.551013      8.501422       8.919409      32.60503 11.02430 28.75919 11.03014 3.845833       15.59484 
1 1 1 14 31 19 o 25.94501 7.477661 4.696327       6.266256      0.5858188      8.465999      8.806056       9.238212      22.57614 9.876044 29.31388 11.23056 -6.737747      14.95532 
1 1 1 14 31 20 o 24.47190 11.75195 0.000000       0.000000      ?              ?             -4.898944      16.65570      ?        ?        24.47190 11.75195 ?              ?        
1 1 1 14 31 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 31 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 31 23 o 18.37647 6.133312 -4.611313      5.820640      -6.100478      7.219123      -3.121439      9.131943      16.61300 7.919450 20.13994 9.367624 -3.526939      12.26662 
1 1 1 14 31 24 o 25.88124 7.128015 8.097604       5.424615      4.717580       7.374983      11.47692       7.962997      22.81014 9.570554 28.95234 10.56593 -6.142197      14.25603 
1 1 1 14 31 25 o 31.62245 7.575766 14.53035       6.280425      16.76905       7.073891      12.28455       10.37882      34.78502 9.768618 28.45989 11.58201 6.325132       15.15153 
1 1 1 14 31 26 o 19.24200 6.369872 -2.073638      6.577975      0.9110690      6.691327      -5.058346      11.32814      18.72198 8.444270 19.76202 9.539150 -1.040039      12.73974 
1 1 1 14 31 27 o 27.69207 7.242062 13.09219       5.610230      6.317265       7.162447      19.86499       8.636027      21.94740 9.329887 33.43673 11.07895 -11.48933      14.48412 
1 1 1 14 32 0  o 45.84460 10.84762 24.88791       8.628942      24.88791       8.628942      24.88791       8.628942      45.84460 10.84762 45.84460 10.84762 0.000000       0.000000 
1 1 1 14 32 1  o 31.12252 7.571922 9.599521       5.865273      6.237917       8.444746      12.96467       8.140111      27.80699 10.71583 34.43805 10.70079 -6.631052      15.14384 
1 1 1 14 32 2  o 74.76608 4.624632 57.86634       6.871274      65.58138       9.790804      50.15130       9.649114      79.90894 6.126225 69.62323 6.929522 10.28571       9.249265 
1 1 1 14 32 3  o 48.38482 6.734786 26.24105       6.354104      37.30707       9.068183      15.16795       8.905238      59.84009 7.577013 36.92955 11.13635 22.91054       13.46957 
1 1 1 14 32 4  o 57.26173 5.846785 34.52994       6.662281      38.02969       9.365732      31.03019       9.479085      60.33495 7.761449 54.18851 8.746397 6.146435       11.69357 
1 1 1 14 32 5  o 21.00661 6.596232 -4.731750      5.958079      -12.50417      8.465999      3.043509       8.388069      16.93987 8.190027 25.07335 10.34237 -8.133476      13.19246 
1 1 1 14 32 6  o 31.73556 8.328978 9.620775       7.037760      9.620775       9.819141      9.627860       10.08127      31.65409 11.71061 31.81703 11.84690 -0.1629486     16.65796 
1 1 1 14 32 7  o 40.77378 8.555855 19.19904       7.495420      20.70096       10.93141      17.69713       10.24421      42.23960 12.23560 39.30796 11.96247 2.931637       17.11171 
1 1 1 14 32 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 32 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 32 10 o 36.46424 10.14724 9.535762       12.05077      -3.033591      18.38432      22.09661       15.59302      30.41585 13.82605 42.51263 14.85619 -12.09678      20.29448 
1 1 1 14 32 11 o 52.96932 6.211776 31.13646       6.279008      21.89116       8.572267      40.38176       9.181536      43.99623 9.970785 61.94241 7.411347 -17.94618      12.42355 
1 1 1 14 32 12 o 28.56716 7.386886 7.098687       5.863855      12.40499       8.118857      1.798051       8.465999      33.24892 10.73671 23.88540 10.14827 9.363525       14.77377 
1 1 1 14 32 13 o 28.88638 7.464258 7.842561       5.932575      2.146609       7.991336      13.53851       8.770633      23.46779 9.909809 34.30497 11.16496 -10.83718      14.92852 
1 1 1 14 32 14 o 54.84380 5.894212 32.52502       6.463206      32.75881       8.869816      32.29123       9.401155      55.18650 8.036220 54.50110 8.624740 0.6854019      11.78842 
1 1 1 14 32 15 o 22.46304 6.529586 -5.618022      6.050887      10.20879       8.373900      -21.44484      8.735210      30.40965 10.86079 14.51643 7.251565 15.89323       13.05917 
1 1 1 14 32 16 o 27.26455 7.676277 6.556721       6.372524      3.418280       8.763549      9.691620       9.259464      24.62566 10.38712 29.90344 11.30525 -5.277786      15.35255 
1 1 1 14 32 17 o 20.01279 6.698975 -8.898154      7.219123      -5.729249      9.089437      -12.06493      11.20771      19.96095 9.308083 20.06463 9.636632 -0.1036816     13.39795 
1 1 1 14 32 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 32 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 32 20 f 38.07436 7.526188 17.90966       7.148279      28.96151       8.954830      6.854271       11.13686      48.70533 9.532797 27.44339 11.64903 21.26194       15.05238 
1 1 1 14 32 21 o 20.16086 6.456668 -0.7530842     5.669739      0.6638193      7.615856      -2.169988      8.402238      20.54458 9.145603 19.77714 9.116590 0.7674427      12.91334 
1 1 1 14 32 22 o 17.63930 5.852495 -4.045260      5.263088      -3.791634      7.091603      -4.298177      7.778800      17.34883 8.129115 17.92977 8.421655 -0.5809383     11.70499 
1 1 1 14 32 23 o 25.13369 6.916119 7.736294       5.067555      9.337394       6.889693      6.135900       7.431659      26.56905 9.813393 23.69833 9.748236 2.870720       13.83224 
1 1 1 14 32 24 o 26.44067 7.209900 10.02459       5.453662      7.998421       7.679617      12.04368       7.743378      24.59181 9.978222 28.28953 10.40989 -3.697727      14.41980 
1 1 1 14 32 25 o 24.64995 6.757132 7.998421       5.183742      13.42516       7.176617      2.574514       7.481250      29.26571 10.09281 20.03419 8.987246 9.231529       13.51426 
1 1 1 14 33 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 33 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 33 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 33 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 33 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 33 5  o 41.86983 9.232436 21.18271       8.636027      24.67537       13.63061      17.69004       10.59844      44.86574 13.82820 38.87393 12.23652 5.991806       18.46487 
1 1 1 14 33 6  o 49.26051 7.333698 27.37458       7.119940      21.73530       10.47092      33.01385       9.649114      43.04096 11.81151 55.48006 8.696018 -12.43910      14.66740 
1 1 1 14 33 7  f 45.94294 7.145199 24.00943       6.410071      27.70046       9.195704      20.31840       8.933578      49.82190 9.570003 42.06398 10.61275 7.757927       14.29040 
1 1 1 14 33 8  o 46.23780 7.114287 24.34949       6.391652      23.71188       9.139028      24.98001       8.940661      45.50748 10.28261 46.96811 9.834647 -1.460625      14.22857 
1 1 1 14 33 9  o 29.54853 7.652825 8.430575       6.126691      12.78755       8.742295      4.075015       8.586436      33.54865 11.14690 25.54842 10.48854 8.000221       15.30565 
1 1 1 14 33 10 o 35.32917 7.644367 14.20446       6.302387      21.04810       9.103605      7.367898       8.721042      42.36350 10.72825 28.29483 10.89266 14.06867       15.28873 
1 1 1 14 33 11 o 38.21201 7.017203 16.53526       6.297428      29.01110       9.004422      4.063679       8.806056      50.76676 9.207438 25.65726 10.59187 25.10950       14.03441 
1 1 1 14 33 12 o 33.74886 7.878735 13.47475       6.192576      11.59027       8.331393      15.35923       9.167366      31.78617 10.88179 35.71155 11.39669 -3.925379      15.75747 
1 1 1 14 33 13 o 28.28289 7.537414 2.527756       7.318307      16.92491       9.677451      -11.87365      10.98100      36.81413 11.70550 19.75164 9.499039 17.06249       15.07483 
1 1 1 14 33 14 f 68.01120 6.815286 53.72190       8.508506      69.47787       11.59027      37.97301       12.45458      80.30705 7.216222 55.71534 11.56368 24.59171       13.63057 
1 1 1 14 33 15 o 23.14318 7.506515 -3.207870      7.962997      -2.830973      10.23004      -3.584766      12.19954      22.37071 10.20756 23.91565 11.00894 -1.544947      15.01303 
1 1 1 14 33 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 33 17 o 41.22203 8.842504 27.58711       12.95758      40.92726       11.25730      14.24696       23.33640      53.45065 10.90814 28.99342 13.92020 24.45723       17.68501 
1 1 1 14 33 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 33 19 o 34.68476 7.513979 16.36524       5.878025      11.72488       8.062181      21.00560       8.558097      29.79232 10.65509 39.57719 10.59758 -9.784866      15.02796 
1 1 1 14 33 20 o 19.88779 6.282562 -0.9698705     5.384233      3.584766       7.058305      -5.525216      8.133026      21.93392 9.290231 17.84166 8.460138 4.092262       12.56512 
1 1 1 14 33 21 o 23.62324 6.873882 5.490501       5.413280      8.125941       7.098687      2.852227       8.168448      25.41328 9.818239 21.83320 9.623055 3.580084       13.74776 
1 1 1 14 33 22 o 23.93417 6.938185 6.966915       5.349519      7.977167       7.176617      5.958079       7.934660      24.66310 9.783593 23.20523 9.840475 1.457870       13.87637 
1 1 1 14 33 23 o 23.59960 6.773519 7.289969       5.078182      4.181283       6.796178      10.40007       7.545012      20.91970 8.996367 26.27950 10.12855 -5.359804      13.54704 
1 1 1 14 33 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 34 0  o 51.48234 13.97886 33.91359       12.41916      33.91359       12.41916      33.91359       12.41916      51.48234 13.97886 51.48234 13.97886 0.000000       0.000000 
1 1 1 14 34 1  o 32.89157 8.861239 10.48509       8.338477      14.67204       11.17229      6.292469       12.38374      35.70278 12.56557 30.08035 12.49770 5.622429       17.72248 
1 1 1 14 34 2  o 34.97520 8.444304 12.92925       7.686701      20.57344       10.47800      5.290718       11.25021      41.33124 11.98133 28.61917 11.90264 12.71206       16.88861 
1 1 1 14 34 3  o 45.41183 7.624062 23.98818       7.275800      33.03511       9.868733      14.93416       10.69762      54.97382 8.975849 35.84983 12.32637 19.12398       15.24812 
1 1 1 14 34 4  o 25.04413 7.335373 1.516795       6.474541      8.168448       8.806056      -5.133441      9.500339      29.07129 11.01489 21.01696 9.690359 8.054331       14.67075 
1 1 1 14 34 5  o 29.13820 7.692908 7.814223       6.261296      12.01534       8.664365      3.606019       9.039845      32.68952 11.09713 25.58689 10.65726 7.102631       15.38582 
1 1 1 14 34 6  o 25.69874 7.463985 2.426447       6.593561      -3.647110      9.840395      8.501422       8.777717      22.09826 10.06385 29.29922 11.02557 -7.200958      14.92797 
1 1 1 14 34 7  o 28.44660 6.814950 -0.2225247     6.718248      19.58161       9.082352      -20.02085      9.904156      40.49743 10.95057 16.39578 8.115366 24.10164       13.62990 
1 1 1 14 34 8  o 60.31932 5.794984 40.11254       6.927242      33.07761       9.571183      47.14038       10.01751      54.61922 8.761736 66.01943 7.586787 -11.40022      11.58997 
1 1 1 14 34 9  o 28.39304 8.268126 6.755087       7.580434      5.949578       9.904156      7.559181       11.49109      27.35319 11.25296 29.43290 12.11687 -2.079710      16.53625 
1 1 1 14 34 10 o 37.50348 8.469324 17.22955       7.637110      24.04485       10.42841      10.41424       11.15812      43.76999 11.68852 31.23698 12.25954 12.53301       16.93865 
1 1 1 14 34 11 o 30.42083 7.986162 5.562055       7.842561      18.21429       10.16628      -7.091603      11.95158      38.26886 11.97222 22.57280 10.57265 15.69606       15.97232 
1 1 1 14 34 12 o 36.48466 9.188437 17.86716       8.664365      10.30089       10.69762      25.43342       13.63770      30.51192 11.99491 42.45741 13.92234 -11.94549      18.37687 
1 1 1 14 34 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 34 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 34 15 o 18.44839 6.197171 -8.529759      6.325766      -15.47967      8.586436      -1.577014      9.294888      15.44054 7.621589 21.45625 9.774000 -6.015703      12.39434 
1 1 1 14 34 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 34 17 o 37.93283 6.096241 15.30964       6.540427      35.30924       8.409323      -4.682866      10.01751      55.52301 7.572827 20.34265 9.555568 35.18036       12.19248 
1 1 1 14 34 18 o 25.92805 7.187331 8.062181       5.474207      9.032760       7.459997      7.098687       8.012589      26.72522 10.13458 25.13088 10.19418 1.594341       14.37466 
1 1 1 14 34 19 o 22.17602 6.410432 1.622355       5.321890      10.43549       7.127024      -7.190785      7.906322      27.71992 10.00769 16.63212 8.013777 11.08779       12.82086 
1 1 1 14 34 20 o 27.28996 7.165313 10.64095       5.300636      11.85948       7.012255      9.422408       7.948828      28.61358 9.966057 25.96635 10.29779 2.647236       14.33063 
1 1 1 14 34 21 o 44.49163 6.482670 26.98493       5.582600      26.43233       7.573349      27.53752       8.203872      44.49439 8.824141 44.48887 9.499189 0.5516052E-02  12.96534 
1 1 1 14 34 22 f 15.64502 5.301497 -4.600686      4.776382      -8.912323      6.489419      -0.2862145     7.010130      13.59403 6.695113 17.69600 8.221857 -4.101977      10.60299 
1 1 1 14 35 0  o 23.58131 14.02881 8.756464       11.34231      8.756464       11.34231      8.756464       11.34231      23.58131 14.02881 23.58131 14.02881 0.000000       0.000000 
1 1 1 14 35 1  o 52.50860 7.060628 32.48960       7.261631      26.26939       9.826226      38.70272       10.69054      46.50417 10.76840 58.51303 9.135177 -12.00887      14.12126 
1 1 1 14 35 2  o 78.09561 4.998730 65.84351       7.785885      60.63639       11.03059      71.05771       10.98809      74.74781 7.378540 81.44342 6.745841 -6.695610      9.997460 
1 1 1 14 35 3  o 31.26119 8.319025 9.542846       7.651280      1.376522       10.84640      17.70421       10.80389      25.21235 11.10271 37.31002 12.39172 -12.09768      16.63805 
1 1 1 14 35 4  o 52.15691 8.530355 34.45910       8.813140      27.19038       12.24913      41.73489       12.67420      45.66588 12.86433 58.64793 11.20611 -12.98205      17.06071 
1 1 1 14 35 5  o 41.22348 9.838334 23.01051       9.748297      16.76197       11.88782      29.25198       15.45133      36.58307 12.95295 45.86388 14.81190 -9.280811      19.67667 
1 1 1 14 35 6  o 22.24396 7.464110 -9.996255      8.990252      -9.216957      11.63278      -10.77555      13.70146      21.48003 10.15349 23.00789 10.94342 -1.527866      14.92822 
1 1 1 14 35 7  o 51.04572 9.321900 34.23239       10.19462      45.34092       13.52434      23.12387       15.26714      60.97813 11.50998 41.11330 14.66668 19.86483       18.64380 
1 1 1 14 35 8  o 23.27876 7.823884 -6.354813      10.04585      -4.228749      10.98100      -8.480167      16.83282      21.77183 10.18285 24.78569 11.88118 -3.013863      15.64777 
1 1 1 14 35 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 35 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 35 11 o 23.25917 7.341151 2.427156       7.155363      7.410406       9.996255      -2.554677      10.23713      25.73606 10.98369 20.78228 9.743124 4.953777       14.68230 
1 1 1 14 35 12 o 23.22514 7.159368 2.156527       6.303804      -0.3471414     8.728126      4.659488       9.096521      21.51887 9.678294 24.93142 10.55257 -3.412550      14.31874 
1 1 1 14 35 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 35 14 o 34.55544 7.669333 16.26605       5.897153      15.42300       8.111773      17.11619       8.565183      33.77483 10.71459 35.33606 10.97599 -1.561230      15.33867 
1 1 1 14 35 15 o 26.37125 7.351989 8.232210       5.700203      7.821308       7.892153      8.650196       8.225125      25.96913 10.27296 26.77337 10.52014 -0.8042393     14.70398 
1 1 1 14 35 16 o 26.09510 7.127498 8.083434       5.552845      12.14995       7.615856      4.016213       8.083434      29.55758 10.37738 22.63262 9.773174 6.924959       14.25500 
1 1 1 14 35 17 o 24.36551 6.921275 6.475958       5.433825      11.24313       7.693786      1.705952       7.672533      28.18121 10.37587 20.54980 9.162836 7.631409       13.84255 
1 1 1 14 35 18 o 25.60197 7.106878 9.181536       5.318347      8.147196       7.176617      10.22296       7.849646      24.68599 9.786455 26.51795 10.30806 -1.831957      14.21376 
1 1 1 14 35 19 f 24.79903 6.988458 8.756464       5.241835      7.112856       7.268716      10.39299       7.552096      23.37548 9.632372 26.22258 10.12776 -2.847094      13.97692 
1 1 1 14 35 20 o 20.95756 6.331475 4.157195       5.022215      9.139028       6.886859      -0.8267632     7.311223      24.29149 9.600476 17.62364 8.257190 6.667852       12.66295 
1 1 1 14 36 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 36 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 36 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 36 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 36 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 36 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 36 6  o 30.40728 7.824193 9.139028       7.608772      22.06827       10.07418      -3.797301      11.39899      39.06632 11.85758 21.74825 10.21126 17.31808       15.64839 
1 1 1 14 36 7  o 27.45057 7.751019 7.764632       6.539719      4.511421       9.224042      11.01642       9.273635      24.92715 10.59194 29.97399 11.31919 -5.046843      15.50204 
1 1 1 14 36 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 36 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 14 36 10 o 35.95746 8.171712 18.40558       7.032801      25.02960       10.05293      11.78155       9.840395      42.20176 11.56989 29.71315 11.54319 12.48861       16.34342 
1 1 1 14 36 11 o 28.77719 7.707568 9.847479       6.497920      3.081765       8.891070      16.61319       9.479085      23.23976 10.14400 34.31461 11.60714 -11.07485      15.41514 
1 1 1 14 36 12 o 20.71294 6.674716 -0.5219164     6.163530      0.4496544      7.955913      -1.493416      9.415324      20.55348 9.242388 20.87239 9.632528 -0.3189087     13.34943 
1 1 1 14 36 13 o 33.97832 8.120411 17.37124       6.768548      21.62903       9.493254      13.11344       9.649114      38.08957 11.50054 29.86708 11.46742 8.222488       16.24082 
1 1 1 14 36 14 o 19.01171 6.266540 -3.399152      6.050178      0.9011506      7.778800      -7.700871      9.273635      20.20032 9.108186 17.82311 8.609242 2.377211       12.53308 
1 1 1 14 36 15 o 19.78145 6.341453 0.1825680      5.549303      4.460413       7.913406      -4.095560      7.785885      22.14311 9.617166 17.41979 8.268386 4.723322       12.68291 
1 1 1 14 36 16 o 17.37910 5.814137 -3.297843      5.343852      -5.400528      7.304138      -1.194450      7.800055      16.20414 7.781779 18.55406 8.640642 -2.349926      11.62827 
1 1 1 14 36 17 o 17.73359 5.871893 -1.688949      5.239709      -5.324015      7.076016      1.946117       7.729208      15.72013 7.576063 19.74704 8.973283 -4.026907      11.74379 
1 1 1 14 37 0  o 21.31457 12.95584 7.849646       10.08835      7.849646       10.08835      7.849646       10.08835      21.31457 12.95584 21.31457 12.95584 0.000000       0.000000 
1 1 1 14 37 1  o 33.97211 8.638899 17.19412       7.502505      16.86115       10.75430      17.52710       10.47092      33.62800 12.27828 34.31622 12.15591 -0.6882133     17.27780 
1 1 1 14 37 2  o 29.83805 8.252088 11.87365       7.311223      17.03118       10.89599      6.713998       9.748297      33.77744 12.35635 25.89865 10.94113 7.878792       16.50418 
1 1 1 14 37 3  o 19.10782 6.395577 -8.118857      6.807514      -15.91183      10.02459      -0.3234791     9.216957      16.72639 8.251211 21.48925 9.774002 -4.762859      12.79115 
1 1 1 14 37 4  o 18.42193 6.227363 -9.124859      6.718957      -15.09711      10.42841      -3.151902      8.480167      17.39592 8.568809 19.44794 9.038569 -2.052027      12.45473 
1 1 1 14 37 5  o 25.80134 7.390843 6.014048       6.289635      1.086057       9.351563      10.93850       8.416408      22.44738 10.05945 29.15530 10.83078 -6.707924      14.78169 
1 1 1 14 37 6  o 21.73150 6.786555 1.641483       5.795844      1.230581       8.267632      2.052385       8.125941      21.53438 9.561578 21.92862 9.633564 -0.3942394     13.57311 
1 1 1 14 37 7  o 26.14051 7.115720 7.176617       5.722165      0.3329723      7.899237      14.02026       8.281801      20.48274 9.210057 31.79828 10.84937 -11.31554      14.23144 
1 1 1 14 37 8  o 27.41034 7.529766 9.868733       5.921240      9.280719       8.246379      10.44966       8.501422      26.89567 10.54262 27.92501 10.75373 -1.029343      15.05953 
1 1 1 14 37 9  f 20.89665 6.515023 0.2828139      5.654153      6.920866       8.005506      -6.354813      7.984251      24.68887 10.13022 17.10443 8.195161 7.584442       13.03005 
1 1 1 14 37 10 o 20.09873 6.431065 0.3713704      5.591102      -1.351018      7.849646      2.094184       7.962997      19.08684 8.803450 21.11062 9.377295 -2.023777      12.86213 
1 1 1 14 37 11 o 33.86637 7.553748 17.13745       5.744127      16.93200       7.601687      17.34998       8.614774      34.17525 10.28568 33.55748 11.06531 0.6177673      15.10750 
1 1 1 14 37 12 o 32.30733 7.845463 16.67695       6.179117      15.84807       9.181536      17.50584       8.274716      31.06524 11.34475 33.54943 10.83982 -2.484192      15.69093 
1 1 1 14 37 13 o 20.97587 6.532943 1.575597       5.729958      10.41424       8.643111      -7.261631      7.523758      26.23485 10.60999 15.71690 7.625324 10.51795       13.06589 
1 1 1 14 37 14 o 21.81614 6.627638 4.106186       5.569848      11.15103       8.118857      -2.940075      7.622942      26.35855 10.42184 17.27373 8.190699 9.084827       13.25528 
1 1 1 14 38 0  o 27.00747 13.14228 13.54560       8.267632      13.54560       8.267632      13.54560       8.267632      27.00747 13.14228 27.00747 13.14228 0.000000       0.000000 
1 1 1 14 38 1  o 37.53652 7.271295 20.00668       5.897861      26.46776       8.473083      13.55268       8.203872      44.54360 9.777252 30.52944 10.76533 14.01416       14.54259 
1 1 1 14 38 2  o 27.52172 7.722000 10.51342       6.397319      7.048388       8.380984      13.97775       9.670367      24.74819 10.28179 30.29525 11.52397 -5.547058      15.44400 
1 1 1 14 38 3  o 20.60027 6.705280 -0.5266630     6.454704      -2.111187      9.918325      1.058427       8.260548      20.49743 9.606107 20.70309 9.357661 -0.2056599     13.41056 
1 1 1 14 38 4  o 19.53556 6.452121 -1.960995      6.216664      -1.410527      9.160281      -2.510753      8.409323      20.11704 9.366693 18.95407 8.876065 1.162973       12.90424 
1 1 1 14 38 5  o 22.06604 6.995793 2.747376       6.544678      3.610979       7.849646      1.884482       10.47800      21.75098 9.512450 22.38109 10.26050 -0.6301174     13.99159 
1 1 1 14 38 6  o 29.49692 8.158876 14.13361       7.008713      16.23771       10.24421      12.02951       9.571183      31.03423 11.84463 27.95961 11.22381 3.074615       16.31775 
1 1 1 14 38 7  o 23.58533 7.188140 4.276215       6.664406      13.29764       9.585353      -4.745918      9.259464      28.68322 11.32939 18.48745 8.849994 10.19577       14.37628 
1 1 1 14 38 8  o 32.85102 7.457884 16.22355       6.712580      4.778507       9.677451      27.67213       9.301972      22.87262 10.24203 42.82941 10.84347 -19.95679      14.91577 
1 1 1 14 38 9  o 16.76884 5.728430 -7.197870      5.969415      -10.95267      9.174451      -3.442367      7.644195      16.24096 7.999342 17.29671 8.201838 -1.055746      11.45686 
1 1 1 14 38 10 o 28.37410 7.660480 13.75105       6.079224      17.09494       9.337394      10.40716       7.785885      30.88167 11.42075 25.86654 10.21266 5.015129       15.32096 
1 1 1 14 38 11 o 20.13821 6.117196 -0.1580556     5.262380      11.83114       7.573349      -12.14286      7.304138      26.63755 10.17905 13.63886 6.787282 12.99869       12.23439 
1 1 1 14 39 0  o 12.33783 8.630553 -3.459370      7.481250      -3.459370      7.481250      -3.459370      7.481250      12.33783 8.630553 12.33783 8.630553 0.000000       0.000000 
1 1 1 14 39 1  o 28.28629 7.380272 12.85132       5.694535      8.983169       7.984251      16.71946       8.118857      24.70387 10.12328 31.86870 10.74210 -7.164827      14.76054 
1 1 1 14 39 2  o 28.81624 7.424998 13.57394       5.632900      16.06769       7.970083      11.08019       7.962997      31.25133 10.64323 26.38115 10.35587 4.870176       14.85000 
1 1 1 14 39 3  o 28.18526 7.459313 13.17012       5.824182      9.500339       8.140111      16.84698       8.331393      24.89775 10.21533 31.47276 10.87255 -6.575014      14.91863 
1 1 1 14 39 4  o 22.06361 6.758790 5.882984       5.515297      6.915907       7.743378      4.850060       7.856731      22.74592 9.686041 21.38130 9.428977 1.364622       13.51758 
1 1 1 14 39 5  o 17.68987 5.845180 -1.752710      5.265214      3.115062       7.410406      -6.621190      7.481250      19.89588 8.934426 15.48386 7.539267 4.412015       11.69036 
1 1 1 15 0  1  o 1119.502 11.53920 12553.77       258.3015      12553.77       258.3015      12553.77       258.3015      1119.502 11.53920 1119.502 11.53920 0.000000       0.000000 
1 1 1 15 0  2  o 693.2220 8.388013 4811.096       116.2569      4811.096       116.2569      4811.096       116.2569      693.2220 8.388013 693.2220 8.388013 0.000000       0.000000 
1 1 1 15 0  3  o 99.88422 3.291780 100.1042       6.560264      100.1042       6.560264      100.1042       6.560264      99.88422 3.291780 99.88422 3.291780 0.000000       0.000000 
1 1 1 15 0  4  o 975.9805 11.64332 9542.846       227.2005      9542.846       227.2005      9542.846       227.2005      975.9805 11.64332 975.9805 11.64332 0.000000       0.000000 
1 1 1 15 0  5  o 206.9232 4.100097 428.7550       16.95325      428.7550       16.95325      428.7550       16.95325      206.9232 4.100097 206.9232 4.100097 0.000000       0.000000 
1 1 1 15 0  6  o 376.6450 4.902686 1419.737       36.91742      1419.737       36.91742      1419.737       36.91742      376.6450 4.902686 376.6450 4.902686 0.000000       0.000000 
1 1 1 15 0  7  o 127.9702 3.132042 164.0774       8.005506      164.0774       8.005506      164.0774       8.005506      127.9702 3.132042 127.9702 3.132042 0.000000       0.000000 
1 1 1 15 0  8  o 199.2280 3.325138 397.2997       13.24096      397.2997       13.24096      397.2997       13.24096      199.2280 3.325138 199.2280 3.325138 0.000000       0.000000 
1 1 1 15 0  9  o 142.1306 3.171169 202.3338       9.004422      202.3338       9.004422      202.3338       9.004422      142.1306 3.171169 142.1306 3.171169 0.000000       0.000000 
1 1 1 15 0  10 o 574.9659 7.062684 3309.178       81.18858      3309.178       81.18858      3309.178       81.18858      574.9659 7.062684 574.9659 7.062684 0.000000       0.000000 
1 1 1 15 0  11 o 21.00657 9.819691 6.481626       4.573764      6.481626       4.573764      6.481626       4.573764      21.00657 9.819691 21.00657 9.819691 0.000000       0.000000 
1 1 1 15 0  12 o 29.60257 9.671759 11.17229       5.054096      11.17229       5.054096      11.17229       5.054096      29.60257 9.671759 29.60257 9.671759 0.000000       0.000000 
1 1 1 15 0  13 o 332.4112 4.544666 1105.893       30.20130      1105.893       30.20130      1105.893       30.20130      332.4112 4.544666 332.4112 4.544666 0.000000       0.000000 
1 1 1 15 0  14 o 340.8569 4.034487 1162.569       27.49501      1162.569       27.49501      1162.569       27.49501      340.8569 4.034487 340.8569 4.034487 0.000000       0.000000 
1 1 1 15 0  15 o 219.2720 3.174259 481.1805       13.91399      481.1805       13.91399      481.1805       13.91399      219.2720 3.174259 219.2720 3.174259 0.000000       0.000000 
1 1 1 15 0  16 o 406.0767 5.298706 1650.693       43.01719      1650.693       43.01719      1650.693       43.01719      406.0767 5.298706 406.0767 5.298706 0.000000       0.000000 
1 1 1 15 0  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 0  18 o 143.3828 2.885668 205.8761       8.267632      205.8761       8.267632      205.8761       8.267632      143.3828 2.885668 143.3828 2.885668 0.000000       0.000000 
1 1 1 15 0  19 o 537.1771 5.780008 2889.066       62.08163      2889.066       62.08163      2889.066       62.08163      537.1771 5.780008 537.1771 5.780008 0.000000       0.000000 
1 1 1 15 0  20 o 171.1187 3.929438 293.4407       13.43225      293.4407       13.43225      293.4407       13.43225      171.1187 3.929438 171.1187 3.929438 0.000000       0.000000 
1 1 1 15 0  21 o 129.0461 2.863379 166.8404       7.382068      166.8404       7.382068      166.8404       7.382068      129.0461 2.863379 129.0461 2.863379 0.000000       0.000000 
1 1 1 15 0  22 f 146.2824 3.348018 214.4483       9.783719      214.4483       9.783719      214.4483       9.783719      146.2824 3.348018 146.2824 3.348018 0.000000       0.000000 
1 1 1 15 0  23 o 17.21111 9.136415 4.325098       4.191200      4.325098       4.191200      4.325098       4.191200      17.21111 9.136415 17.21111 9.136415 0.000000       0.000000 
1 1 1 15 0  24 o 122.3015 2.871465 149.9084       7.015089      149.9084       7.015089      149.9084       7.015089      122.3015 2.871465 122.3015 2.871465 0.000000       0.000000 
1 1 1 15 0  25 o 284.7162 3.549515 811.8857       20.20504      811.8857       20.20504      811.8857       20.20504      284.7162 3.549515 284.7162 3.549515 0.000000       0.000000 
1 1 1 15 0  26 o 41.92146 5.224837 17.78214       4.441284      17.78214       4.441284      17.78214       4.441284      41.92146 5.224837 41.92146 5.224837 0.000000       0.000000 
1 1 1 15 0  27 o 12.42274 7.812618 0.9429494      3.970872      0.9429494      3.970872      0.9429494      3.970872      12.42274 7.812618 12.42274 7.812618 0.000000       0.000000 
1 1 1 15 0  28 o 168.3952 2.902708 284.1600       9.769550      284.1600       9.769550      284.1600       9.769550      168.3952 2.902708 168.3952 2.902708 0.000000       0.000000 
1 1 1 15 0  29 o 100.8937 3.111540 102.2296       6.265547      102.2296       6.265547      102.2296       6.265547      100.8937 3.111540 100.8937 3.111540 0.000000       0.000000 
1 1 1 15 0  30 o 10.01546 6.841365 -1.983665      4.060137      -1.983665      4.060137      -1.983665      4.060137      10.01546 6.841365 10.01546 6.841365 0.000000       0.000000 
1 1 1 15 0  31 o 25.29199 9.709049 8.813140       4.621940      8.813140       4.621940      8.813140       4.621940      25.29199 9.709049 25.29199 9.709049 0.000000       0.000000 
1 1 1 15 0  32 o 332.3507 4.032260 1108.727       26.79365      1108.727       26.79365      1108.727       26.79365      332.3507 4.032260 332.3507 4.032260 0.000000       0.000000 
1 1 1 15 0  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 0  34 o 59.02061 5.237922 35.91142       6.090560      35.91142       6.090560      35.91142       6.090560      59.02061 5.237922 59.02061 5.237922 0.000000       0.000000 
1 1 1 15 0  35 o 120.4670 3.210124 145.9411       7.722124      145.9411       7.722124      145.9411       7.722124      120.4670 3.210124 120.4670 3.210124 0.000000       0.000000 
1 1 1 15 0  36 o 76.06345 3.935098 58.69523       5.952412      58.69523       5.952412      58.69523       5.952412      76.06345 3.935098 76.06345 3.935098 0.000000       0.000000 
1 1 1 15 0  37 o 72.56300 3.986240 53.52353       5.748378      53.52353       5.748378      53.52353       5.748378      72.56300 3.986240 72.56300 3.986240 0.000000       0.000000 
1 1 1 15 0  38 o 106.4935 3.340149 114.4858       7.098687      114.4858       7.098687      114.4858       7.098687      106.4935 3.340149 106.4935 3.340149 0.000000       0.000000 
1 1 1 15 0  39 o 16.26710 9.488280 3.723622       5.024340      3.723622       5.024340      3.723622       5.024340      16.26710 9.488280 16.26710 9.488280 0.000000       0.000000 
1 1 1 15 0  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 0  41 o 103.7691 3.379825 109.6683       6.998086      109.6683       6.998086      109.6683       6.998086      103.7691 3.379825 103.7691 3.379825 0.000000       0.000000 
1 1 1 15 0  42 o 12.58815 7.966149 1.467912       4.198285      1.467912       4.198285      1.467912       4.198285      12.58815 7.966149 12.58815 7.966149 0.000000       0.000000 
1 1 1 15 0  43 o 13.20531 8.503819 1.613145       5.000961      1.613145       5.000961      1.613145       5.000961      13.20531 8.503819 13.20531 8.503819 0.000000       0.000000 
1 1 1 15 1  0  o 80.35433 3.081116 64.85876       4.935784      64.85876       4.935784      64.85876       4.935784      80.35433 3.081116 80.35433 3.081116 0.000000       0.000000 
1 1 1 15 1  1  o 562.6058 4.234830 3167.488       47.66463      3107.270       66.14106      3228.415       68.64189      557.2302 5.934806 567.9814 6.042618 -10.75128      8.469661 
1 1 1 15 1  2  o 188.5243 2.149389 355.5720       8.090520      366.9780       10.89599      344.1659       11.95867      191.5510 2.844148 185.4976 3.223402 6.053436       4.298779 
1 1 1 15 1  3  o 583.4529 4.719603 3407.653       54.99711      3481.332       73.67899      3333.974       81.68449      589.7940 6.246162 577.1117 7.077009 12.68231       9.439205 
1 1 1 15 1  4  o 840.0288 6.666420 7068.223       112.0771      7033.509       145.8702      7105.771       170.0993      837.9973 8.703503 842.0604 10.10018 -4.063110      13.33284 
1 1 1 15 1  5  o 316.9456 2.845471 1004.585       18.05135      993.2495       23.38599      1016.628       27.50918      315.1107 3.710759 318.7805 4.314753 -3.669891      5.690942 
1 1 1 15 1  6  o 524.1609 4.293278 2750.210       45.00086      2755.169       59.07779      2744.542       67.89802      524.6995 5.629679 523.6223 6.483492 1.077209       8.586556 
1 1 1 15 1  7  o 219.6437 2.291220 482.5974       10.08127      473.8834       13.02134      491.3113       15.38757      217.6648 2.991147 221.6227 3.471569 -3.957962      4.582439 
1 1 1 15 1  8  o 427.8160 3.600759 1831.348       30.79640      1839.141       40.48802      1823.555       46.42484      428.7439 4.721703 426.8882 5.437589 1.855682       7.201517 
1 1 1 15 1  9  o 386.9995 3.315654 1498.376       25.65304      1504.043       33.71522      1492.708       38.68147      387.7438 4.347616 386.2552 5.007243 1.488617       6.631308 
1 1 1 15 1  10 o 150.6549 2.095355 226.9879       6.307346      230.0343       8.324308      224.0125       9.479085      151.6561 2.744470 149.6537 3.167007 2.002365       4.190710 
1 1 1 15 1  11 o 138.8103 2.083306 192.7697       5.795135      187.1021       7.424574      198.4373       8.905238      136.7717 2.714221 140.8489 3.161274 -4.077133      4.166612 
1 1 1 15 1  12 o 23.09581 5.692596 4.638234       3.310595      2.427156       4.339267      6.850020       5.000253      19.76994 7.668380 26.42169 8.415375 -6.651752      11.38519 
1 1 1 15 1  13 o 96.77692 2.500302 93.72817       4.844393      92.45296       6.274758      94.93254       7.382068      96.13895 3.263379 97.41489 3.788983 -1.275932      5.000604 
1 1 1 15 1  14 o 584.6298 5.242364 3423.239       61.35901      3401.986       64.95794      3443.784       104.1424      583.0281 5.570738 586.2313 8.882365 -3.203186      10.48473 
1 1 1 15 1  15 o 265.1828 2.910074 703.6343       15.42300      706.3265       16.46442      700.8713       26.07811      265.7276 3.097988 264.6380 4.927129 1.089661       5.820149 
1 1 1 15 1  16 o 195.8851 2.768602 383.9809       10.86765      375.3378       13.59519      392.6240       16.96742      193.6914 3.509498 198.0789 4.282995 -4.387543      5.537203 
1 1 1 15 1  17 o 55.07139 5.844923 30.99477       6.043802      33.45309       5.247502      28.53644       10.88890      57.81279 4.538358 52.32998 10.77292 5.482807       11.68985 
1 1 1 15 1  18 o 493.8760 4.107198 2443.450       40.53761      2473.205       53.75732      2412.987       60.68597      496.9715 5.408492 490.7806 6.182598 6.190887       8.214396 
1 1 1 15 1  19 o 151.8161 2.488253 230.6719       7.601687      222.2413       8.586436      239.1733       12.54668      149.0457 2.880471 154.5866 4.058141 -5.540894      4.976507 
1 1 1 15 1  20 o 177.4618 2.707305 315.6153       9.528677      337.8607       12.22079      293.4407       14.62953      183.7360 3.325639 171.1876 4.272954 12.54845       5.414610 
1 1 1 15 1  21 o 82.05984 2.877689 67.57214       4.787009      61.68490       5.394860      73.46645       7.906322      78.49506 3.436433 85.62463 4.616851 -7.129570      5.755379 
1 1 1 15 1  22 o 364.3510 3.216496 1330.473       23.45684      1317.012       30.37841      1343.933       35.74848      362.5685 4.189334 366.1334 4.881892 -3.564911      6.432992 
1 1 1 15 1  23 o 112.4322 2.263026 126.6003       5.099436      122.5622       6.590019      130.6385       7.785885      110.6480 2.977920 114.2164 3.408392 -3.568367      4.526052 
1 1 1 15 1  24 o 99.00536 2.133998 98.19141       4.225915      93.86986       5.860313      102.5130       6.090560      96.82527 3.026231 101.1855 3.009603 -4.360184      4.267995 
1 1 1 15 1  25 o 230.1103 2.233539 530.4887       10.27963      538.9193       14.74288      521.9872       14.33198      231.9442 3.178109 228.2763 3.139173 3.667908       4.467078 
1 1 1 15 1  26 o 64.08205 2.685606 41.44443       3.424656      47.92677       4.977582      34.96918       4.706245      69.13153 3.600081 59.03255 3.986144 10.09898       5.371212 
1 1 1 15 1  27 o 169.3160 2.039273 287.2064       6.905280      287.8440       9.812057      286.6396       9.719957      169.4923 2.894544 169.1397 2.873352 0.3525238      4.078546 
1 1 1 15 1  28 o 96.38823 2.194039 93.16142       4.229457      93.09056       6.009089      93.23225       5.953829      96.35027 3.118356 96.42620 3.087246 -0.7593536E-01 4.388079 
1 1 1 15 1  29 o 78.08356 2.450738 61.29525       3.823514      66.48820       5.511755      56.10229       5.299928      81.40342 3.385456 74.76369 3.544453 6.639732       4.901475 
1 1 1 15 1  30 o 75.94560 2.576464 57.95135       3.913488      57.07996       5.491210      58.82984       5.577641      75.37239 3.642720 76.51881 3.644621 -1.146416      5.152928 
1 1 1 15 1  31 o 137.3262 2.103910 189.2275       5.778841      190.4318       8.218040      188.0231       8.125941      137.7621 2.982692 136.8904 2.968047 0.8717651      4.207821 
1 1 1 15 1  32 o 22.28749 5.872241 3.499752       3.661988      0.7594603      5.221290      6.240043       5.135567      19.22341 8.058620 25.35158 8.543507 -6.128172      11.74448 
1 1 1 15 1  33 o 87.57294 4.406378 78.49645       7.771716      83.45561       12.51834      73.53729       9.224042      90.10976 6.946163 85.03610 5.423604 5.073662       8.812756 
1 1 1 15 1  34 o 92.20462 2.484081 85.79351       4.570931      77.07955       6.351979      94.57832       6.574432      87.47105 3.630903 96.93820 3.391043 -9.467155      4.968162 
1 1 1 15 1  35 o 36.26822 5.552980 14.01318       3.994960      16.89658       5.237584      11.13686       6.033884      40.52995 6.461376 32.00649 9.032883 8.523457       11.10596 
1 1 1 15 1  36 f 39.08038 5.205472 16.24480       3.979374      16.48567       5.172406      15.99684       6.048761      39.89301 6.482849 38.26777 8.146191 1.625240       10.41094 
1 1 1 15 1  37 o 208.0898 2.510989 438.3192       10.47092      426.5588       13.43933      450.0794       16.06060      205.4859 3.270134 210.6936 3.811364 -5.207748      5.021979 
1 1 1 15 1  38 o 18.30113 5.572244 0.9061097E-01  3.749835      -2.250043      4.748752      2.431407       5.805054      15.51216 7.044809 21.09010 8.635409 -5.577942      11.14449 
1 1 1 15 1  39 o 30.20738 6.027472 10.34340       3.870272      11.63278       4.974040      9.061099       5.931867      32.08662 7.812997 28.32814 9.180345 3.758480       12.05494 
1 1 1 15 1  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 1  41 o 70.10098 3.204884 52.14914       4.536926      44.49786       5.590393      59.79333       7.148279      65.11990 4.292385 75.08205 4.760311 -9.962158      6.409768 
1 1 1 15 1  42 f 63.28862 3.247662 42.74798       4.109020      42.36542       5.206412      43.13054       6.359063      63.40635 4.105593 63.17089 5.033223 0.2354546      6.495323 
1 1 1 15 1  43 o 42.91068 4.531926 21.62195       3.719372      23.52768       4.798344      19.70913       5.683908      45.99441 5.216225 39.82695 7.412449 6.167458       9.063851 
1 1 1 15 2  0  o 84.21021 3.052543 71.19940       5.126357      71.19940       5.126357      71.19940       5.126357      84.21021 3.052543 84.21021 3.052543 0.000000       0.000000 
1 1 1 15 2  1  o 249.9946 2.260340 625.0670       11.29981      624.7836       15.98267      625.4212       15.98267      249.9309 3.197419 250.0584 3.195788 -0.1275330     4.520680 
1 1 1 15 2  2  f 595.6117 4.461877 3550.052       53.16222      3558.553       75.23758      3542.259       75.09589      596.2952 6.308753 594.9282 6.311340 1.367004       8.923754 
1 1 1 15 2  3  o 161.0660 2.062943 259.4350       6.643153      261.0645       8.742295      257.8764       10.00334      161.5627 2.705542 160.5693 3.114961 0.9934387      4.125886 
1 1 1 15 2  4  o 221.9182 2.292297 492.7282       10.20170      476.0796       13.00717      509.3768       15.72054      218.1718 2.980948 225.6646 3.483167 -7.492752      4.584594 
1 1 1 15 2  5  f 745.8795 5.944002 5571.974       88.62732      5606.688       116.8945      5537.968       133.2598      748.2606 7.811085 743.4984 8.961673 4.762207       11.88800 
1 1 1 15 2  6  o 682.3477 5.463656 4663.030       74.45828      4740.959       99.25409      4585.100       111.0852      688.1132 7.212047 676.5820 8.209296 11.53119       10.92731 
1 1 1 15 2  7  o 511.3149 4.202425 2616.313       42.96760      2620.563       56.34317      2612.770       64.89419      511.7266 5.505202 510.9032 6.350927 0.8233948      8.404851 
1 1 1 15 2  8  o 87.11400 2.338890 76.01688       4.048802      81.89703       5.409738      70.14381       6.026091      90.48806 2.989200 83.73994 3.598098 6.748116       4.677780 
1 1 1 15 2  9  o 220.6171 2.768456 486.9189       12.24205      477.5673       15.26714      496.2705       19.13528      218.5055 3.493536 222.7287 4.295649 -4.223175      5.536912 
1 1 1 15 2  10 o 697.3672 5.590427 4869.897       78.00054      4849.353       101.6628      4891.151       118.3115      695.9445 7.303946 698.7899 8.465452 -2.845337      11.18085 
1 1 1 15 2  11 o 106.3689 2.577044 113.2814       5.438785      118.5240       6.341352      107.9680       8.834394      108.8560 2.912724 103.8818 4.252136 4.974174       5.154088 
1 1 1 15 2  12 o 369.7359 3.556434 1368.020       26.27648      1372.980       28.19638      1363.061       44.34908      370.4621 3.805569 369.0097 6.009203 1.452454       7.112867 
1 1 1 15 2  13 f 512.1693 4.638890 2626.231       47.37417      2660.945       51.48319      2591.517       79.55913      515.6756 4.991820 508.6630 7.820417 7.012604       9.277780 
1 1 1 15 2  14 o 430.0513 4.038716 1851.185       34.86291      1820.013       36.49944      1882.356       59.41077      426.5121 4.278828 433.5904 6.851024 -7.078308      8.077432 
1 1 1 15 2  15 o 220.5451 2.703666 486.6355       11.93741      484.6519       12.61044      488.6192       20.26880      220.1187 2.864465 220.9715 4.586293 -0.8528900     5.407332 
1 1 1 15 2  16 o 311.7572 3.157081 972.7043       19.52493      1012.378       21.95492      933.7395       32.29832      318.1063 3.450878 305.4081 5.287731 12.69821       6.314163 
1 1 1 15 2  17 o 256.0523 2.809370 656.0972       14.40991      650.5004       15.22463      661.6940       24.47701      254.9990 2.985233 257.1057 4.760108 -2.106689      5.618740 
1 1 1 15 2  18 o 90.80771 2.776845 82.53463       5.010880      84.73083       5.324015      80.33842       8.494337      92.03120 2.892506 89.58423 4.740978 2.446968       5.553689 
1 1 1 15 2  19 o 53.09013 5.232133 28.70647       5.399111      27.96968       4.318014      29.45034       9.897071      52.86310 4.084147 53.31715 9.634345 -0.4540558     10.46427 
1 1 1 15 2  20 o 265.8043 2.779455 707.3891       14.77830      730.4138       21.21105      684.6478       20.58052      270.1041 3.926458 261.5045 3.935023 8.599579       5.558910 
1 1 1 15 2  21 o 116.9612 2.290459 137.0854       5.335350      144.8784       7.134109      129.2216       7.934660      120.3140 2.964787 113.6083 3.492112 6.705681       4.580918 
1 1 1 15 2  22 o 191.0763 2.439449 365.6320       9.323226      372.0080       13.36140      359.1851       13.00717      192.7508 3.465978 189.4019 3.433750 3.348892       4.878898 
1 1 1 15 2  23 o 399.7698 3.454701 1602.518       27.60837      1613.853       36.37191      1591.891       41.54361      401.2207 4.532656 398.3188 5.214870 2.901947       6.909402 
1 1 1 15 2  24 o 110.2343 2.281137 121.7120       5.039217      118.6657       6.467456      124.7584       7.729208      108.8667 2.970355 111.6019 3.462850 -2.735153      4.562274 
1 1 1 15 2  25 f 177.8979 2.380134 317.2447       8.473083      330.3510       12.23496      304.1384       11.71779      181.5740 3.369140 174.2220 3.362892 7.352005       4.760268 
1 1 1 15 2  26 o 67.75552 2.838176 46.21231       3.866730      41.12563       4.959163      51.29899       5.933284      64.02341 3.872929 71.48763 4.149868 -7.464211      5.676353 
1 1 1 15 2  27 o 72.20272 2.683303 52.31916       3.881608      51.24940       4.935075      53.38184       5.992794      71.48804 3.451679 72.91740 4.109303 -1.429367      5.366606 
1 1 1 15 2  28 f 61.68242 3.025573 38.50436       3.756920      32.24873       4.749461      44.75999       5.822765      56.64471 4.192325 66.72013 4.363575 -10.07542      6.051146 
1 1 1 15 2  29 o 112.0679 2.299895 126.0336       5.163905      123.2706       6.619065      128.7257       7.927575      110.8822 2.984730 113.2535 3.499923 -2.371391      4.599791 
1 1 1 15 2  30 o 75.13646 2.801756 56.81075       4.189075      59.92085       5.496878      53.70064       6.322932      77.23495 3.558543 73.03796 4.328525 4.196999       5.603513 
1 1 1 15 2  31 o 127.3546 2.323943 162.8731       5.920532      162.8022       7.743378      162.9439       8.954830      127.3654 3.039828 127.3438 3.516005 0.2155304E-01  4.647886 
1 1 1 15 2  32 o 33.33339 5.543259 11.49109       4.016213      18.32056       5.392026      4.662321       5.953120      42.44647 6.351561 24.22032 9.086723 18.22616       11.08652 
1 1 1 15 2  33 f 58.23314 4.984558 37.32124       5.994919      18.85190       6.055138      55.79058       10.35048      42.80893 7.072283 73.65735 7.026101 -30.84842      9.969116 
1 1 1 15 2  34 o 55.47857 3.732663 31.27814       4.153653      29.94626       5.352353      32.61712       6.352687      54.34998 4.923970 56.60715 5.611205 -2.257175      7.465327 
1 1 1 15 2  35 o 70.04324 3.221473 49.77583       4.522048      48.33058       5.827016      51.22106       6.916615      69.09715 4.216538 70.98933 4.871588 -1.892174      6.442947 
1 1 1 15 2  36 o 73.20505 3.232957 54.64288       4.758671      50.65430       6.022548      58.63855       7.367898      70.61282 4.264487 75.79728 4.860266 -5.184464      6.465914 
1 1 1 15 2  37 o 168.1197 2.441185 285.9312       8.196787      290.4652       10.91016      281.3262       12.24205      169.5889 3.216648 166.6505 3.672971 2.938446       4.882370 
1 1 1 15 2  38 o 92.07278 2.789425 86.36028       5.130608      87.28126       6.760755      85.43929       7.722124      92.68652 3.647109 91.45905 4.221630 1.227463       5.578849 
1 1 1 15 2  39 o 55.71901 3.985026 32.66671       4.344226      37.93759       5.758296      27.39583       6.506421      60.59967 4.751095 50.83835 6.399127 9.761318       7.970052 
1 1 1 15 2  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 2  41 o 35.92888 4.822229 14.81373       3.337516      14.23988       4.778507      15.39466       4.659488      35.05575 7.063488 36.80201 6.566789 -1.746254      9.644459 
1 1 1 15 2  42 o 23.77001 5.614129 6.866314       3.147651      6.311597       4.543301      7.424574       4.357687      22.95916 8.019528 24.58085 7.858811 -1.621689      11.22826 
1 1 1 15 2  43 o 40.81961 4.001060 18.88733       3.268088      19.32656       4.816764      18.45517       4.418614      41.11847 5.857178 40.52075 5.452285 0.5977211      8.002121 
1 1 1 15 3  0  f 115.0909 2.732500 132.6930       6.281842      132.6930       6.281842      132.6930       6.281842      115.0909 2.732500 115.0909 2.732500 0.000000       0.000000 
1 1 1 15 3  1  o 161.3758 1.920644 260.5686       6.200370      269.2117       8.947746      251.8546       8.586436      164.0642 2.726903 158.6874 2.705456 5.376831       3.841288 
1 1 1 15 3  2  o 628.6521 4.689548 3955.286       58.95736      3965.913       83.59731      3945.368       83.17223      629.4677 6.640318 627.8365 6.623717 1.631165       9.379097 
1 1 1 15 3  3  o 132.1759 1.904955 174.7042       5.035675      177.1129       7.176617      172.3663       7.066806      133.0735 2.696486 131.2783 2.691537 1.795242       3.809909 
1 1 1 15 3  4  o 485.3566 3.724794 2357.728       36.16647      2313.095       50.13713      2401.652       52.13497      480.8011 5.213917 489.9122 5.320848 -9.111145      7.449588 
1 1 1 15 3  5  o 650.9535 5.233156 4242.918       68.11056      4265.588       89.68999      4220.248       102.5130      652.7507 6.870157 649.1563 7.895863 3.594421       10.46631 
1 1 1 15 3  6  o 671.1207 5.375048 4510.713       72.04955      4619.814       96.84536      4402.320       106.6928      679.2684 7.128652 662.9729 8.046546 16.29553       10.75010 
1 1 1 15 3  7  o 443.2061 3.712672 1965.954       32.92175      1954.619       42.82591      1976.581       50.01670      441.9893 4.844677 444.4229 5.627151 -2.433594      7.425344 
1 1 1 15 3  8  o 315.7688 2.871519 997.5001       18.15762      983.3311       23.24430      1011.669       27.89883      313.5353 3.706808 318.0024 4.386576 -4.467102      5.743037 
1 1 1 15 3  9  o 773.1125 6.753984 5988.543       104.4258      5979.333       111.4395      5997.753       176.6879      772.8377 7.209759 773.3875 11.42299 -0.5497437     13.50797 
1 1 1 15 3  10 o 304.6303 3.063193 928.0718       18.64645      932.3226       20.00668      924.5295       31.46943      305.2995 3.276566 303.9611 5.176555 1.338379       6.126386 
1 1 1 15 3  11 o 471.3654 4.314969 2224.539       40.66513      2226.664       43.44226      2221.705       68.75524      471.7345 4.604525 470.9963 7.298916 0.7382202      8.629937 
1 1 1 15 3  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 3  13 o 408.2163 3.858787 1667.696       31.52611      1661.319       33.49560      1674.072       53.42435      407.5039 4.109850 408.9287 6.532233 -1.424805      7.717573 
1 1 1 15 3  14 o 158.2010 2.663059 250.3669       8.395153      255.8219       9.627860      244.9826       13.75105      159.9244 3.010129 156.4776 4.393935 3.446777       5.326119 
1 1 1 15 3  15 o 282.9035 3.102197 801.2590       17.51293      811.8857       20.58761      789.9238       28.33807      284.8728 3.613474 280.9342 5.043542 3.938568       6.204394 
1 1 1 15 3  16 o 140.4633 2.741265 197.5164       7.672533      204.6717       9.875818      190.2902       11.74613      143.0301 3.452357 137.8966 4.259035 5.133453       5.482531 
1 1 1 15 3  17 o 267.9161 2.989457 718.3701       16.01810      717.6617       18.52601      719.0786       26.14187      267.8198 3.458672 268.0125 4.876987 -0.1927490     5.978914 
1 1 1 15 3  18 o 375.4030 4.725386 1412.653       35.57136      1399.192       28.64979      1425.405       65.12089      373.9276 3.830928 376.8785 8.639506 -2.950928      9.450771 
1 1 1 15 3  19 o 283.4079 2.976810 804.0928       16.79031      823.2209       18.25680      784.9646       28.17513      286.8384 3.182420 279.9773 5.031680 6.861084       5.953620 
1 1 1 15 3  20 o 219.1332 2.639796 480.7554       11.60444      474.6627       11.94450      486.8481       19.89333      217.8014 2.742062 220.4651 4.511672 -2.663696      5.279592 
1 1 1 15 3  21 o 198.7322 2.551392 395.7411       10.27255      374.5585       10.20170      416.9239       17.82465      193.4689 2.636523 203.9955 4.368884 -10.52657      5.102784 
1 1 1 15 3  22 o 220.0808 2.395163 485.0061       10.54885      481.3930       13.73688      488.5484       16.01101      219.2891 3.132140 220.8726 3.624490 -1.583572      4.790326 
1 1 1 15 3  23 o 155.2487 2.218733 241.3695       6.870565      250.5794       9.209873      232.2305       10.20170      158.2131 2.910591 152.2842 3.349562 5.928940       4.437466 
1 1 1 15 3  24 o 198.5901 2.642019 395.6703       10.62678      368.6783       11.48400      422.5915       17.88132      191.8875 2.992380 205.2928 4.355079 -13.40529      5.284037 
1 1 1 15 3  25 o 207.2501 2.334199 430.3845       9.677451      428.0466       12.66003      432.7224       14.64370      206.7159 3.062181 207.7843 3.523774 -1.068390      4.668398 
1 1 1 15 3  26 o 81.06087 2.534865 65.91436       4.118230      63.88110       5.313388      67.94761       6.294595      79.82645 3.328088 82.29530 3.824394 -2.468857      5.069730 
1 1 1 15 3  27 o 130.6052 2.228354 170.9494       5.817098      172.6497       7.707955      169.3200       8.713958      131.2614 2.936108 129.9490 3.352837 1.312408       4.456708 
1 1 1 15 3  28 o 190.1385 2.300538 362.7273       8.770633      352.1714       11.20771      373.2832       13.48892      187.4169 2.990047 192.8601 3.497074 -5.443161      4.601076 
1 1 1 15 3  29 o 31.31295 5.488042 10.32214       3.455828      11.43441       4.447660      9.209873       5.290009      32.96552 6.961735 29.66038 8.485793 3.305141       10.97608 
1 1 1 15 3  30 o 208.6508 2.401535 437.1147       10.03168      433.2183       13.01426      441.0112       15.26005      207.7834 3.131688 209.5181 3.641703 -1.734619      4.803069 
1 1 1 15 3  31 f 115.8160 2.407819 134.8892       5.600311      126.1753       7.169532      143.6032       8.607689      112.1022 3.197765 119.5297 3.600648 -7.427498      4.815638 
1 1 1 15 3  32 o 132.9005 2.475679 177.5380       6.587184      174.4917       8.607689      180.6552       9.975000      131.7926 3.265620 134.0084 3.721783 -2.215790      4.951358 
1 1 1 15 3  33 o 136.2324 2.546344 187.3147       6.897486      203.8924       9.429493      170.7369       10.06710      142.3491 3.312102 130.1157 3.868520 12.23341       5.092687 
1 1 1 15 3  34 o 236.2967 2.599813 562.7941       12.27038      571.5081       16.32981      554.0093       18.32765      238.2541 3.426975 234.3394 3.910492 3.914673       5.199625 
1 1 1 15 3  35 o 91.25491 2.756682 84.16407       5.035675      83.24309       6.546094      85.08506       7.651280      90.82556 3.603663 91.68427 4.172624 -0.8587112     5.513364 
1 1 1 15 3  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 3  37 o 191.1364 2.278258 369.1034       8.706873      360.6728       12.36248      377.5339       12.26330      188.9232 3.271827 193.3497 3.171275 -4.426437      4.556516 
1 1 1 15 3  38 o 160.4336 2.242244 260.7103       7.190785      248.3832       10.15920      273.1082       10.17337      156.5822 3.244047 164.2850 3.096255 -7.702866      4.484488 
1 1 1 15 3  39 o 79.27095 2.814727 64.29200       4.468206      66.50237       6.643860      62.08163       5.977208      80.56969 4.123053 77.97221 3.832909 2.597481       5.629454 
1 1 1 15 3  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 3  41 o 81.46355 2.637046 68.74816       4.288259      66.82825       6.341352      70.67515       5.774590      80.14712 3.956069 82.77998 3.487915 -2.632858      5.274091 
1 1 1 15 3  42 o 25.54089 5.669319 8.147196       3.226289      8.806056       4.745210      7.495420       4.372564      26.43773 8.161111 24.64405 7.871530 1.793671       11.33864 
1 1 1 15 3  43 o 54.93455 3.329896 33.06344       3.635775      30.28631       5.282216      35.84766       4.997419      52.26167 5.053624 57.60743 4.337478 -5.345768      6.659792 
1 1 1 15 4  0  o 107.5107 2.809770 115.8319       6.032466      115.8319       6.032466      115.8319       6.032466      107.5107 2.809770 107.5107 2.809770 0.000000       0.000000 
1 1 1 15 4  1  o 389.0579 3.088592 1513.961       24.03068      1529.547       34.31741      1499.084       33.65854      391.0139 4.388259 387.1020 4.347504 3.911957       6.177185 
1 1 1 15 4  2  o 190.3375 2.179038 362.5148       8.317224      349.2667       10.56302      375.6920       12.85840      186.8705 2.826293 193.8045 3.317363 -6.933990      4.358076 
1 1 1 15 4  3  o 293.4075 2.506827 860.7689       14.70746      860.7689       20.77181      861.4774       20.83557      293.3472 3.540481 293.4677 3.549891 -0.1204529     5.013655 
1 1 1 15 4  4  o 548.1738 4.141131 3007.378       45.39759      3006.669       64.17865      3008.086       64.23533      548.1094 5.854548 548.2383 5.858340 -0.1289063     8.282263 
1 1 1 15 4  5  o 217.2798 2.132149 472.1831       9.266549      476.2213       13.08510      468.2158       13.12053      218.2009 2.998407 216.3586 3.032125 1.842346       4.264297 
1 1 1 15 4  6  o 391.7511 3.233174 1535.924       25.39091      1509.711       30.39258      1561.428       40.67930      388.4787 3.911744 395.0235 5.148973 -6.544800      6.466348 
1 1 1 15 4  7  o 486.7475 4.403180 2371.897       42.67713      2424.322       46.92785      2318.763       71.27025      492.2507 4.766661 481.2444 7.404788 11.00635       8.806359 
1 1 1 15 4  8  o 345.4961 3.357648 1194.450       23.33640      1162.569       24.16529      1226.330       39.93543      340.9203 3.544126 350.0719 5.703890 -9.151550      6.715295 
1 1 1 15 4  9  f 446.1680 4.099408 1992.167       36.53486      2003.502       39.43243      1980.831       61.51487      447.5080 4.405779 444.8280 6.914455 2.679962       8.198816 
1 1 1 15 4  10 o 576.8779 5.148281 3332.557       59.42493      3325.473       63.37101      3339.642       100.5293      576.4386 5.496770 577.3173 8.706591 -0.8787231     10.29656 
1 1 1 15 4  11 o 351.1061 3.396683 1233.415       23.72605      1266.003       26.16313      1201.534       39.58120      355.7411 3.677270 346.4711 5.712050 9.270050       6.793366 
1 1 1 15 4  12 o 329.7264 3.291576 1087.474       21.70696      1088.182       23.19471      1087.474       36.69072      329.8213 3.516255 329.6316 5.565414 0.1896973      6.583151 
1 1 1 15 4  13 o 813.6023 7.115816 6636.777       115.7610      6629.692       123.6248      6643.861       195.8161      813.6238 7.597174 813.5807 12.03421 0.4309082E-01  14.23163 
1 1 1 15 4  14 o 341.6214 3.396341 1168.237       23.14512      1182.406       25.15004      1153.359       38.85858      343.7940 3.657719 339.4488 5.723777 4.345245       6.792683 
1 1 1 15 4  15 o 375.1114 3.616091 1408.402       27.11245      1411.944       29.10320      1404.860       45.75182      375.6577 3.873632 374.5650 6.107327 1.092773       7.232183 
1 1 1 15 4  16 o 123.1839 3.565728 151.8212       8.784801      151.8212       8.784801      ?              ?             123.1839 3.565728 ?        ?        ?              ?        
1 1 1 15 4  17 o 315.3377 3.823432 995.3747       24.11570      1001.042       34.43784      990.4156       33.76481      316.1760 5.445992 314.4994 5.368024 1.676544       7.646863 
1 1 1 15 4  18 o 199.1613 3.397535 397.3706       13.77939      376.6838       10.33631      418.0574       25.53969      194.0503 2.663307 204.2723 6.251382 -10.22205      6.795070 
1 1 1 15 4  19 o 391.1797 3.734414 1532.381       29.19530      1536.632       31.14354      1528.839       49.39326      391.8164 3.974252 390.5430 6.323664 1.273346       7.468829 
1 1 1 15 4  20 o 181.2017 2.577243 328.7216       9.330310      329.9968       10.64803      327.4464       15.33090      181.5901 2.931886 180.8132 4.239429 0.7769012      5.154485 
1 1 1 15 4  21 o 163.2757 2.611597 267.0155       8.508506      272.3289       10.45675      261.6313       13.41808      164.9408 3.169849 161.6105 4.151362 3.330231       5.223194 
1 1 1 15 4  22 o 217.1745 2.624804 472.3957       11.42733      466.9406       11.93033      477.8507       19.49659      215.9955 2.761708 218.3535 4.464456 -2.358002      5.249609 
1 1 1 15 4  23 o 98.86736 2.718083 97.90804       5.392026      95.92437       6.214540      99.96254       8.813140      97.87785 3.174640 99.85686 4.412887 -1.979004      5.436167 
1 1 1 15 4  24 o 372.9659 3.289671 1396.359       24.61870      1342.516       31.07978      1449.492       38.19264      365.9171 4.246834 380.0147 5.025152 -14.09763      6.579343 
1 1 1 15 4  25 o 194.8611 2.434493 380.7928       9.507423      362.3731       12.75922      399.2126       14.08402      190.1565 3.354925 199.5657 3.528669 -9.409149      4.868986 
1 1 1 15 4  26 o 248.8876 2.900219 621.8081       14.44533      618.5493       16.54943      625.1378       23.68354      248.3909 3.331328 249.3842 4.748404 -0.9933167     5.800438 
1 1 1 15 4  27 o 181.1245 2.404549 329.2884       8.721042      309.3100       11.69654      349.2667       12.95050      175.6353 3.329779 186.6136 3.469870 -10.97827      4.809098 
1 1 1 15 4  28 o 120.3635 2.282138 145.3743       5.514588      138.3606       7.055471      152.4588       8.473083      117.4693 3.003113 123.2578 3.437139 -5.788483      4.564275 
1 1 1 15 4  29 o 119.8587 2.292131 144.1699       5.506087      138.9982       7.155363      149.3416       8.373900      117.7314 3.038850 121.9859 3.432323 -4.254486      4.584261 
1 1 1 15 4  30 f 200.4828 2.381873 403.5341       9.542846      407.8557       12.64586      399.1417       14.29656      201.6167 3.136115 199.3490 3.585812 2.267761       4.763745 
1 1 1 15 4  31 o 73.77148 3.003720 55.08213       4.360521      62.95303       5.802220      47.21832       6.511380      79.13299 3.666120 68.40999 4.759086 10.72300       6.007440 
1 1 1 15 4  32 o 75.00691 2.965170 56.98078       4.443409      64.81625       6.553887      49.14530       6.001295      80.20370 4.085776 69.81012 4.298299 10.39359       5.930340 
1 1 1 15 4  33 o 34.74205 5.620478 12.97884       3.829182      14.04151       5.509629      11.92324       5.319056      36.19589 7.832287 33.28821 8.063148 2.907684       11.24096 
1 1 1 15 4  34 o 125.7128 2.276447 159.0474       5.720748      158.4807       8.310139      159.5433       7.870899      125.4805 3.311327 125.9452 3.124732 -0.4647064     4.552894 
1 1 1 15 4  35 o 46.74196 4.007861 22.61378       3.726456      27.53044       5.571973      17.69713       4.949244      51.93878 5.363982 41.54514 5.956467 10.39364       8.015722 
1 1 1 15 4  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 4  37 o 99.36543 2.504355 100.4585       4.942160      86.85619       6.986042      114.0607       6.991711      92.52137 3.775367 106.2095 3.291472 -13.68813      5.008711 
1 1 1 15 4  38 o 98.31967 2.491623 98.26226       4.893277      95.49931       7.098687      101.0252       6.739501      96.87305 3.663912 99.76628 3.377645 -2.893227      4.983246 
1 1 1 15 4  39 o 91.51630 2.620410 85.43929       4.788426      83.03055       7.039177      87.84802       6.494378      90.12704 3.905141 92.90555 3.495151 -2.778503      5.240821 
1 1 1 15 4  40 o 17.01706 5.292438 -0.1799468     3.585474      -2.561053      5.172406      2.201160       4.966247      15.33024 7.099473 18.70388 7.850927 -3.373638      10.58488 
1 1 1 15 4  41 o 26.80210 5.695467 8.664365       3.350977      10.86057       5.032842      6.469582       4.426406      29.94823 8.175650 23.65598 7.931718 6.292246       11.39093 
1 1 1 15 4  42 o 54.48694 3.304203 31.87325       3.589725      30.89558       5.356604      32.85091       4.781341      53.36428 5.018904 55.60960 4.299025 -2.245323      6.608405 
1 1 1 15 4  43 o 39.29888 4.456572 18.29931       3.332557      15.47967       4.936492      21.12603       4.478832      35.10865 7.275170 43.48910 5.149373 -8.380447      8.913144 
1 1 1 15 5  0  o 354.1093 4.068543 1254.668       28.80565      1254.668       28.80565      1254.668       28.80565      354.1093 4.068543 354.1093 4.068543 0.000000       0.000000 
1 1 1 15 5  1  o 224.7469 2.158167 505.2678       9.705790      500.2378       13.61644      510.2270       13.82190      223.6361 3.044330 225.8577 3.059868 -2.221573      4.316334 
1 1 1 15 5  2  o 278.0369 2.516316 772.9209       13.99192      773.6293       17.15162      772.9209       22.11078      278.1109 3.083594 277.9629 3.977290 0.1479797      5.032632 
1 1 1 15 5  3  o 264.2303 2.441536 698.3918       12.91508      692.1574       15.63553      704.6262       20.56635      263.0608 2.971847 265.3999 3.874598 -2.339050      4.883071 
1 1 1 15 5  4  o 273.3900 2.604644 747.4167       14.26822      730.4138       18.25680      765.1279       21.93367      270.2238 3.378089 276.5561 3.965501 -6.332245      5.209288 
1 1 1 15 5  5  o 128.5894 2.340163 165.7777       6.141568      150.6169       6.135192      180.8677       10.64095      122.7169 2.499735 134.4619 3.956863 -11.74501      4.680325 
1 1 1 15 5  6  o 370.6442 3.079639 1374.396       22.79798      1389.982       28.30265      1358.811       35.74848      372.7647 3.796315 368.5237 4.850227 4.240997       6.159279 
1 1 1 15 5  7  o 149.8972 2.028466 224.7917       6.055846      232.2305       7.530843      217.3530       9.486169      152.3814 2.471051 147.4130 3.217547 4.968353       4.056932 
1 1 1 15 5  8  o 297.2994 2.639106 884.1478       15.70638      877.0634       19.04318      891.2324       24.98709      296.1198 3.215453 298.4791 4.185736 -2.359314      5.278213 
1 1 1 15 5  9  o 294.2244 2.995025 865.7281       17.59086      874.2295       19.06444      857.9351       29.56369      295.6357 3.224312 292.8130 5.048220 2.822693       5.990051 
1 1 1 15 5  10 o 338.3021 3.309693 1145.567       22.34457      1156.193       24.22197      1134.231       37.56211      339.9678 3.562391 336.6363 5.579035 3.331512       6.619386 
1 1 1 15 5  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 5  12 o 218.8284 2.652063 479.1259       11.55485      489.5402       12.58919      468.6408       19.37616      221.2322 2.845243 216.4246 4.476421 4.807602       5.304126 
1 1 1 15 5  13 o 336.0776 3.354414 1130.689       22.42958      1159.027       24.70371      1101.642       37.44168      340.3854 3.628786 331.7698 5.642719 8.615570       6.708827 
1 1 1 15 5  14 o 567.4590 5.098324 3225.581       57.67506      3269.505       62.82551      3181.657       96.77451      571.5200 5.496352 563.3981 8.588467 8.121948       10.19665 
1 1 1 15 5  15 o 515.7493 4.700052 2664.487       48.60688      2634.024       51.20689      2694.951       82.60548      512.9874 4.991048 518.5113 7.965639 -5.523926      9.400105 
1 1 1 15 5  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 5  17 o 217.7918 2.721505 474.6627       11.84531      476.0087       13.87149      473.3166       19.21321      218.1246 3.179717 217.4590 4.417664 0.6655579      5.443009 
1 1 1 15 5  18 f 166.9503 3.220039 279.5551       10.44258      303.5007       9.068183      255.5385       18.81648      174.1832 2.603059 159.7173 5.890559 14.46596       6.440077 
1 1 1 15 5  19 o 544.2181 4.932798 2971.247       53.68648      2964.871       57.09413      2977.623       90.96520      544.0123 5.247503 544.4240 8.354261 -0.4116821     9.865596 
1 1 1 15 5  20 o 70.81097 3.171889 50.25757       4.531966      48.20306       4.740959      52.31208       7.722124      69.39077 3.416131 72.23116 5.345424 -2.840393      6.343777 
1 1 1 15 5  21 o 265.3239 2.962487 705.1221       15.68512      714.1194       18.00176      696.4081       25.68846      267.0741 3.370181 263.5736 4.873109 3.500488       5.924973 
1 1 1 15 5  22 o 237.1540 2.790603 563.5734       13.16303      581.2139       15.39466      545.9330       21.35982      240.9406 3.194700 233.3675 4.576434 7.573044       5.581206 
1 1 1 15 5  23 o 139.8123 2.428090 195.8161       6.827350      190.5027       7.155363      201.1295       11.63278      137.9616 2.593245 141.6629 4.105796 -3.701279      4.856179 
1 1 1 15 5  24 o 226.9966 2.667142 516.4614       12.12869      511.9272       12.83006      520.9246       20.58761      226.1166 2.837045 227.8764 4.517274 -1.759811      5.334285 
1 1 1 15 5  25 o 33.14777 5.519696 10.98809       3.929073      16.26605       4.538342      5.710830       6.415030      40.20236 5.644372 26.09319 9.487320 14.10917       11.03939 
1 1 1 15 5  26 o 70.44904 2.906839 50.01670       4.047385      56.22274       5.439492      43.81066       5.994210      74.86678 3.632781 66.03130 4.538916 8.835487       5.813679 
1 1 1 15 5  27 o 190.5656 2.314324 364.1442       8.820225      366.3404       11.65403      361.9480       13.23388      191.1746 3.048007 189.9566 3.483395 1.218018       4.628648 
1 1 1 15 5  28 o 143.9002 2.080915 207.6472       5.988543      209.0641       8.494337      206.1595       8.444746      144.4038 2.941176 143.3967 2.944540 1.007065       4.161830 
1 1 1 15 5  29 o 125.5920 2.127163 158.2681       5.341726      151.6087       7.530843      164.9276       7.573349      122.9418 3.062767 128.2422 2.952753 -5.300385      4.254326 
1 1 1 15 5  30 o 203.5540 2.212690 415.7195       9.004422      412.8149       12.83715      418.6241       12.63878      202.8353 3.164427 204.2727 3.093605 -1.437454      4.425380 
1 1 1 15 5  31 o 166.3351 2.157321 277.8548       7.169532      265.5277       10.15211      290.1110       10.13086      162.6396 3.121046 170.0306 2.979129 -7.390945      4.314642 
1 1 1 15 5  32 o 69.35544 3.356972 48.64938       4.658071      49.96002       6.728167      47.33875       6.443369      70.28352 4.786447 68.42737 4.708181 1.856148       6.713944 
1 1 1 15 5  33 o 130.5691 2.295158 171.5162       5.989960      167.9031       8.636027      175.0584       8.303054      129.1843 3.342522 131.9538 3.146197 -2.769531      4.590317 
1 1 1 15 5  34 o 84.99495 2.855121 73.18307       4.891151      81.75533       7.630026      64.68873       6.120315      89.92064 4.242644 80.06927 3.821888 9.851372       5.710241 
1 1 1 15 5  35 o 180.8769 2.240896 329.5717       8.104689      329.7135       11.80281      329.4301       11.11561      180.8762 3.262675 180.8776 3.072688 -0.1388550E-02 4.481792 
1 1 1 15 5  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 5  37 o 84.31229 2.702268 72.40377       4.534800      66.00645       6.539719      78.70899       6.283967      80.51910 4.060973 88.10548 3.566161 -7.586380      5.404536 
1 1 1 15 5  38 o 119.3228 2.350814 144.6659       5.622982      151.5378       8.444746      137.8647       7.424574      122.0669 3.459063 116.5786 3.184365 5.488373       4.701627 
1 1 1 15 5  39 o 68.08263 3.426262 48.16764       4.672948      49.40034       7.240376      46.94202       5.911322      68.71869 5.268128 67.44656 4.382226 1.272133       6.852524 
1 1 1 15 5  40 o 58.23333 3.445128 35.95393       3.994960      42.29457       5.897153      29.61329       5.391318      63.54228 4.640338 52.92439 5.093416 10.61789       6.890255 
1 1 1 15 5  41 o 27.63598 5.579425 9.082352       3.337516      7.282885       5.047010      10.88182       4.369022      24.82409 8.469525 30.44787 7.265472 -5.623781      11.15885 
1 1 1 15 5  42 o 39.76249 4.403610 17.99467       3.508962      19.14237       5.232625      16.84698       4.676490      40.90018 6.396823 38.62480 6.053740 2.275383       8.807220 
1 1 1 15 5  43 o 49.99520 3.716874 28.25306       3.671197      24.80998       5.345269      31.69613       5.034258      46.36461 5.764385 53.62580 4.693877 -7.261189      7.433748 
1 1 1 15 6  0  o 49.30623 4.694640 24.97293       4.551803      24.97293       4.551803      24.97293       4.551803      49.30623 4.694640 49.30623 4.694640 0.000000       0.000000 
1 1 1 15 6  1  o 408.3086 3.227614 1667.696       26.35441      1652.110       36.95285      1683.990       37.59754      406.3584 4.546829 410.2588 4.582173 -3.900360      6.455228 
1 1 1 15 6  2  o 149.0167 1.969237 222.0997       5.868815      216.7154       8.232210      227.5547       8.366816      147.1984 2.796296 150.8349 2.773501 -3.636490      3.938474 
1 1 1 15 6  3  o 346.9293 2.928976 1204.368       20.25464      1240.499       25.56803      1168.237       31.41984      352.1511 3.630264 341.7075 4.597476 10.44360       5.857952 
1 1 1 15 6  4  o 373.4832 3.111444 1395.650       23.30098      1369.437       27.94134      1421.863       37.29290      369.9977 3.775880 376.9687 4.946420 -6.970917      6.222888 
1 1 1 15 6  5  o 483.2815 3.839423 2337.182       37.05911      2361.978       45.91476      2312.386       58.19223      485.8831 4.724877 480.6799 6.053116 5.203156       7.678846 
1 1 1 15 6  6  o 223.3864 2.368047 499.1751       10.56302      511.7856       14.06277      486.6355       15.76305      226.2040 3.108426 220.5689 3.573272 5.635162       4.736094 
1 1 1 15 6  7  o 470.6790 3.760269 2216.746       35.42259      2202.577       43.08804      2230.915       56.24399      469.2108 4.591544 472.1472 5.956191 -2.936432      7.520538 
1 1 1 15 6  8  o 41.82038 3.895261 18.02301       3.290050      12.00117       3.869564      24.03777       5.321890      34.62975 5.587051 49.01101 5.429280 -14.38126      7.790522 
1 1 1 15 6  9  o 404.2856 3.319705 1635.107       26.83615      1635.815       32.88633      1635.107       42.42918      404.3600 4.066467 404.2113 5.248391 0.1487732      6.639410 
1 1 1 15 6  10 o 554.4879 4.352846 3077.515       48.25265      3087.433       59.26908      3068.305       76.15857      555.4233 5.335488 553.5526 6.879072 1.870667       8.705691 
1 1 1 15 6  11 o 308.5380 3.160917 952.1592       19.44700      966.3282       21.14729      938.6987       32.63837      310.8102 3.401962 306.2659 5.328438 4.544312       6.321835 
1 1 1 15 6  12 o 297.1153 3.108315 883.4393       18.34890      911.7775       20.26880      855.1013       30.59095      301.9127 3.356733 292.3180 5.232478 9.594696       6.216630 
1 1 1 15 6  13 o 454.6897 4.247489 2070.096       38.77357      2033.965       40.51636      2105.519       66.11272      450.8637 4.493194 458.5156 7.209429 -7.651917      8.494978 
1 1 1 15 6  14 o 512.0162 4.655235 2625.522       47.45919      2682.907       52.17747      2568.846       79.27575      517.7377 5.038988 506.2947 7.829013 11.44296       9.310470 
1 1 1 15 6  15 o 101.8295 2.889889 104.0716       5.984292      93.37395       6.591435      114.6983       9.989170      96.60788 3.411438 107.0511 4.665610 -10.44318      5.779778 
1 1 1 15 6  16 o 152.8396 2.593432 233.8599       7.991336      221.9579       8.947746      245.8328       13.25513      148.9521 3.003565 156.7271 4.228730 -7.774994      5.186864 
1 1 1 15 6  17 o 258.6617 2.817005 669.6995       14.48075      689.1110       15.96850      650.2879       24.17237      262.4517 3.042179 254.8717 4.742068 7.580032       5.634010 
1 1 1 15 6  18 o 211.2665 2.640259 446.6789       11.12978      450.7170       11.76738      442.6407       18.90149      212.2571 2.771965 210.2760 4.494449 1.981110       5.280517 
1 1 1 15 6  19 o 552.3030 6.595927 3071.138       73.25391      3008.795       57.83092      3133.482       134.6058      547.9404 5.277118 556.6655 12.09037 -8.725159      13.19185 
1 1 1 15 6  20 f 301.9429 3.136754 913.1944       19.02901      894.0662       19.61703      933.0310       32.61712      298.8532 3.282052 305.0326 5.346497 -6.179443      6.273508 
1 1 1 15 6  21 o 275.4378 3.055600 760.1688       16.96742      728.2885       18.32765      792.7576       28.56478      269.7023 3.397755 281.1732 5.079569 -11.47089      6.111200 
1 1 1 15 6  22 o 79.65513 3.022177 63.51978       4.814638      63.51978       4.814638      ?              ?             79.65513 3.022177 ?        ?        ?              ?        
1 1 1 15 6  23 o 48.28764 4.082185 23.57727       4.069347      19.85790       4.053052      27.28956       7.057597      44.49913 4.554080 52.07613 6.776229 -7.577000      8.164370 
1 1 1 15 6  24 o 191.5974 2.518613 367.8990       9.599521      377.5339       10.46383      358.3349       16.08894      194.1842 2.694306 189.0106 4.256096 5.173645       5.037225 
1 1 1 15 6  25 o 137.6511 2.456805 190.0068       6.742336      192.4155       7.148279      187.5272       11.43441      138.6159 2.578449 136.6863 4.182721 1.929581       4.913609 
1 1 1 15 6  26 o 148.0851 2.424242 219.9034       7.190785      217.8489       7.509589      221.9579       12.27038      147.4848 2.545885 148.6855 4.126289 -1.200638      4.848484 
1 1 1 15 6  27 o 122.7154 2.119686 150.9711       5.202161      148.1373       7.452912      153.8049       7.254546      121.5568 3.065610 123.8741 2.928194 -2.317307      4.239373 
1 1 1 15 6  28 o 43.46184 3.815208 19.05735       3.316263      19.41158       4.703412      18.69604       4.675782      43.87233 5.360340 43.05136 5.430470 0.8209686      7.630415 
1 1 1 15 6  29 o 136.3563 2.258627 187.2438       6.201078      165.9194       7.821308      208.4974       9.627860      128.6008 3.040926 144.1119 3.340411 -15.51114      4.517253 
1 1 1 15 6  30 o 92.99178 2.393044 87.28126       4.462538      100.3876       6.763589      74.24575       5.824182      99.99169 3.382076 85.99187 3.386473 13.99982       4.786088 
1 1 1 15 6  31 o 14.91215 4.860129 -3.695993      3.381440      -4.367605      4.862813      -3.023672      4.701286      14.63324 6.817707 15.19106 6.928370 -0.5578213     9.720259 
1 1 1 15 6  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 6  33 o 90.99170 2.968055 83.66816       5.358729      79.48829       8.501422      87.77718       6.529091      88.60363 4.797445 93.37978 3.495988 -4.776146      5.936111 
1 1 1 15 6  34 o 41.04453 4.871300 18.39849       3.785258      26.02143       5.641402      10.77555       5.047719      50.50729 5.584740 31.58176 7.983040 18.92553       9.742600 
1 1 1 15 6  35 o 111.3262 2.367212 125.2543       5.288592      136.6604       8.005506      113.8482       6.915198      116.3796 3.439394 106.2728 3.253511 10.10674       4.734424 
1 1 1 15 6  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 6  37 o 42.27777 4.730127 19.37616       3.748418      14.06985       5.458621      24.68246       5.138401      35.64383 7.867988 48.91171 5.252731 -13.26788      9.460255 
1 1 1 15 6  38 o 45.89515 4.133145 22.16746       3.785967      21.40941       5.544343      22.92550       5.157529      44.98314 6.162690 46.80716 5.509338 -1.824013      8.266290 
1 1 1 15 6  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 6  40 f 23.88892 5.888650 5.929033       3.694576      2.238708       5.172406      9.620775       5.276549      19.41280 8.072006 28.36504 8.575985 -8.952238      11.77730 
1 1 1 15 6  41 o 66.76656 2.856072 46.63738       3.787383      43.16597       5.635026      50.11588       5.061888      64.00525 4.402003 69.52786 3.640186 -5.522614      5.712144 
1 1 1 15 6  42 o 16.11512 5.245566 -0.8968999     3.863188      0.8473083      6.406529      -2.640400      4.318722      18.63311 8.338732 13.59713 6.366271 5.035975       10.49113 
1 1 1 15 6  43 o 52.53454 4.577254 33.51685       4.765755      39.63787       6.968331      27.40292       6.503587      57.98800 6.008426 47.08108 6.906796 10.90692       9.154508 
1 1 1 15 7  0  o 480.1210 5.237455 2306.719       50.27882      2306.719       50.27882      2306.719       50.27882      480.1210 5.237455 480.1210 5.237455 0.000000       0.000000 
1 1 1 15 7  1  o 127.0674 2.018516 161.4562       5.128483      161.3145       7.261631      161.6687       7.247461      126.9977 2.858963 127.1371 2.850255 -0.1394272     4.037031 
1 1 1 15 7  2  o 373.8349 3.021749 1397.775       22.59253      1385.732       31.72447      1410.527       32.17788      372.1778 4.262005 375.4920 4.284762 -3.314240      6.043499 
1 1 1 15 7  3  o 506.5850 3.879990 2568.138       39.31907      2609.228       56.42818      2527.048       54.76332      510.6356 5.525289 502.5344 5.448714 8.101227       7.759981 
1 1 1 15 7  4  o 160.2979 2.340086 257.0263       7.502505      264.1108       10.71179      250.0126       10.50634      162.4963 3.296011 158.0995 3.322699 4.396774       4.680173 
1 1 1 15 7  5  o 269.2382 2.424353 724.7462       13.05677      734.6645       18.64645      715.5363       18.27806      271.0137 3.440131 267.4627 3.416936 3.550995       4.848706 
1 1 1 15 7  6  o 146.5206 2.209566 214.7317       6.463914      208.9933       9.727042      220.5410       8.508506      144.5482 3.364636 148.4930 2.864952 -3.944778      4.419132 
1 1 1 15 7  7  o 510.6493 3.914213 2609.228       39.97794      2597.184       56.32900      2621.980       56.73990      509.4367 5.528557 511.8619 5.542501 -2.425171      7.828427 
1 1 1 15 7  8  o 358.5740 3.031533 1286.548       21.68571      1314.178       27.16204      1258.919       33.81440      362.4461 3.747046 354.7020 4.766594 7.744171       6.063066 
1 1 1 15 7  9  o 165.3339 2.366547 273.5333       7.821308      285.4352       11.15103      261.7021       10.97392      168.9222 3.300642 161.7457 3.392337 7.176483       4.733095 
1 1 1 15 7  10 o 384.8228 3.227130 1481.373       24.82415      1487.749       30.56261      1475.705       39.12779      385.6315 3.962671 384.0142 5.094577 1.617310       6.454260 
1 1 1 15 7  11 o 477.9412 3.841707 2286.174       36.64821      2324.430       45.76598      2247.917       57.25708      481.9833 4.747673 473.8990 6.041063 8.084320       7.683414 
1 1 1 15 7  12 o 403.5714 3.365574 1629.439       27.11953      1654.235       33.77898      1605.352       42.42918      406.6273 4.153555 400.5154 5.296823 6.111969       6.731148 
1 1 1 15 7  13 o 523.9559 4.171393 2748.084       43.73273      2736.041       53.25432      2760.837       69.39285      522.8500 5.092696 525.0618 6.608066 -2.211731      8.342787 
1 1 1 15 7  14 o 333.7353 3.339001 1115.103       22.32332      1105.893       23.69771      1123.605       37.83841      332.4700 3.563887 335.0005 5.647515 -2.530487      6.678002 
1 1 1 15 7  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  16 o 93.91815 4.028117 88.27309       7.566265      88.27309       7.566265      ?              ?             93.91815 4.028117 ?        ?        ?              ?        
1 1 1 15 7  17 o 357.2098 3.615597 1278.047       25.89391      1259.627       29.35116      1295.758       42.66296      354.7634 4.136723 359.6562 5.931077 -4.892792      7.231193 
1 1 1 15 7  18 o 290.6429 3.309717 845.8914       19.22029      854.3929       24.34949      837.3900       29.74081      292.1440 4.167377 289.1419 5.142943 3.002167       6.619434 
1 1 1 15 7  19 o 198.7957 3.424208 396.0954       13.72271      385.5395       11.81698      406.6513       24.76748      196.2728 3.010345 201.3186 6.151311 -5.045883      6.848417 
1 1 1 15 7  20 f 172.3451 2.318719 297.4789       7.962997      308.1057       10.29380      286.7813       12.15703      175.4536 2.933483 169.2366 3.591727 6.217010       4.637437 
1 1 1 15 7  21 o 126.4986 2.337442 160.1809       5.909196      161.3145       7.360813      159.1183       9.245295      126.9500 2.899100 126.0473 3.667391 0.9026489      4.674884 
1 1 1 15 7  22 o 225.8663 2.499659 511.0063       11.29981      507.6057       14.28947      514.3360       17.50584      225.1573 3.173220 226.5754 3.863139 -1.418076      4.999317 
1 1 1 15 7  23 o 209.4537 2.696944 439.6652       11.29981      439.0276       12.95050      440.2319       18.51893      209.3854 3.092503 209.5220 4.419328 -0.1366119     5.393888 
1 1 1 15 7  24 o 107.1853 2.677576 115.1943       5.727124      116.7529       6.588602      113.6357       9.365732      107.9599 3.051412 106.4108 4.400743 1.549088       5.355152 
1 1 1 15 7  25 o 69.83012 3.266992 48.99652       4.568097      48.64230       5.117856      49.35075       7.566265      69.63877 3.674574 70.02147 5.402818 -0.3826981     6.533983 
1 1 1 15 7  26 o 111.7954 2.323011 125.3251       5.207829      121.9954       6.573016      128.6548       8.076350      110.3354 2.978653 113.2553 3.565550 -2.919952      4.646022 
1 1 1 15 7  27 o 90.43193 2.450309 82.10956       4.450494      77.00871       5.681075      87.28126       6.853562      87.62147 3.241828 93.24239 3.675133 -5.620926      4.900617 
1 1 1 15 7  28 o 150.6395 2.462861 227.7673       7.417490      227.6256       10.80389      227.8381       10.17337      150.5881 3.587232 150.6909 3.375574 -0.1028137     4.925722 
1 1 1 15 7  29 o 74.97321 2.594971 56.48486       3.892234      57.48378       5.634317      55.48595       5.371481      75.63077 3.724884 74.31564 3.613964 1.315125       5.189942 
1 1 1 15 7  30 o 120.9169 2.220385 146.7912       5.372190      151.0419       7.821308      142.5405       7.367898      122.6609 3.188182 119.1728 3.091268 3.488167       4.440770 
1 1 1 15 7  31 o 25.09822 6.056802 6.022548       3.657736      5.939660       5.374315      6.105437       4.964122      25.15701 8.728389 25.03943 8.399682 0.1175804      12.11360 
1 1 1 15 7  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  33 o 48.00891 4.067196 24.01651       3.851144      31.21438       5.823474      16.81156       5.040634      55.44761 5.251330 40.57021 6.212237 14.87740       8.134393 
1 1 1 15 7  34 o 76.46353 2.837269 59.26199       4.352019      65.46095       6.558138      53.06304       5.722874      80.46080 4.075363 72.46627 3.948647 7.994530       5.674539 
1 1 1 15 7  35 o 29.72281 5.635483 9.571183       3.455828      9.479085       5.404778      9.670367       4.306678      29.55568 8.617146 29.88993 7.264950 -0.3342457     11.27097 
1 1 1 15 7  36 o 36.11209 5.039174 14.01318       3.523839      11.22896       5.434533      16.79031       4.488042      31.85019 8.407187 40.37400 5.558085 -8.523808      10.07835 
1 1 1 15 7  37 o 133.6950 2.616136 181.5762       6.993836      182.3555       11.32106      180.7969       8.218040      133.6582 4.235078 133.7317 3.072584 -0.7351685E-01 5.232271 
1 1 1 15 7  38 o 134.0159 2.585804 183.3473       6.901738      181.1511       11.56193      185.5435       7.537927      132.6357 4.358531 135.3961 2.783658 -2.760406      5.171609 
1 1 1 15 7  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 7  41 o 39.14024 5.348088 18.23555       4.145860      20.38924       6.774924      16.08894       4.779216      40.37092 8.641457 37.90955 6.303445 2.461372       10.69618 
1 1 1 15 7  42 o 41.53354 5.297307 21.07644       4.104061      17.98050       6.957705      24.17946       4.354145      35.80674 9.540730 47.26035 4.606552 -11.45361      10.59461 
1 1 1 15 8  0  o 722.9350 7.581909 5231.208       109.5975      5231.208       109.5975      5231.208       109.5975      722.9350 7.581909 722.9350 7.581909 0.000000       0.000000 
1 1 1 15 8  1  o 370.3200 3.007473 1371.563       22.27372      1385.023       31.77406      1358.811       31.22855      372.0884 4.269693 368.5516 4.236660 3.536774       6.014945 
1 1 1 15 8  2  o 240.0891 2.289811 576.6797       10.99517      593.7534       15.86224      559.6060       15.23880      243.6438 3.255210 236.5345 3.221263 7.109299       4.579621 
1 1 1 15 8  3  o 638.6772 4.786438 4082.808       61.13939      4029.674       85.36844      4136.650       87.56464      634.4976 6.727247 642.8569 6.810586 -8.359314      9.572875 
1 1 1 15 8  4  o 443.5139 3.476326 1968.079       30.83891      1960.286       43.44935      1975.872       43.76815      442.6362 4.908020 444.3916 4.924502 -1.755402      6.952653 
1 1 1 15 8  5  o 554.3962 4.214818 3076.098       46.73656      3060.512       65.79391      3091.684       66.38902      552.9926 5.948897 555.7998 5.972386 -2.807190      8.429636 
1 1 1 15 8  6  o 729.0116 5.414843 5322.599       78.99238      5297.803       111.1561      5347.394       112.1479      727.3159 7.641528 730.7074 7.673928 -3.391541      10.82969 
1 1 1 15 8  7  o 279.0032 2.737341 779.2970       15.35215      820.3871       24.12278      738.2068       19.00068      286.3531 4.212069 271.6532 3.497230 14.69992       5.474682 
1 1 1 15 8  8  o 183.0685 2.148741 335.2394       7.863815      331.4137       11.03059      339.0650       11.22188      182.0241 3.029982 184.1130 3.047551 -2.088913      4.297483 
1 1 1 15 8  9  o 400.5645 3.502487 1606.060       28.02635      1577.722       41.95451      1633.690       37.17247      397.0554 5.283207 404.0735 4.599716 -7.018158      7.004974 
1 1 1 15 8  10 o 417.6752 3.470957 1745.625       29.01110      1754.835       46.09187      1736.415       35.25256      418.7436 5.503592 416.6068 4.230915 2.136810       6.941914 
1 1 1 15 8  11 o 288.4969 2.735517 833.1393       15.73471      810.4688       24.59036      855.1013       19.63120      284.6165 4.319911 292.3772 3.357170 -7.760681      5.471034 
1 1 1 15 8  12 o 360.1880 3.128942 1297.884       22.58544      1319.846       36.17355      1276.630       27.06994      363.1563 4.980438 357.2196 3.788978 5.936707       6.257884 
1 1 1 15 8  13 o 77.22771 3.802505 60.06255       6.042386      69.24407       10.36465      50.87392       6.215247      83.15416 6.232190 71.30127 4.358441 11.85289       7.605011 
1 1 1 15 8  14 o 141.7327 2.261334 201.0586       6.445494      209.7017       10.34340      192.4155       7.693786      144.7731 3.572277 138.6922 2.773692 6.080978       4.522668 
1 1 1 15 8  15 o 329.9036 2.901971 1088.890       19.17779      1102.351       30.58386      1076.138       23.14512      331.8553 4.608011 327.9519 3.528737 3.903412       5.803943 
1 1 1 15 8  16 o 143.9950 2.304366 207.5055       6.624732      203.3965       10.00334      211.5437       8.692703      142.5755 3.508085 145.4146 2.988938 -2.839081      4.608733 
1 1 1 15 8  17 o 288.2782 3.339719 832.4308       19.22738      843.0576       24.50535      821.0956       29.64162      290.2152 4.221927 286.3411 5.175929 3.874115       6.679439 
1 1 1 15 8  18 o 227.3807 2.458274 517.5948       11.20771      534.6686       17.11619      500.5920       14.46659      231.1100 3.703040 223.6513 3.234183 7.458755       4.916548 
1 1 1 15 8  19 o 105.4980 2.470122 112.1479       5.153986      94.22409       7.346645      130.0717       7.233293      97.00222 3.786844 113.9938 3.172668 -16.99162      4.940244 
1 1 1 15 8  20 o 154.1167 2.289068 237.8272       7.064682      241.0153       10.74013      234.5684       9.174451      155.1492 3.461226 153.0842 2.996538 2.065033       4.578136 
1 1 1 15 8  21 o 343.3645 2.895020 1180.989       19.87916      1186.657       27.99801      1176.030       28.23180      344.1411 4.067811 342.5880 4.120373 1.553131       5.790040 
1 1 1 15 8  22 o 121.3248 2.233850 147.4288       5.420364      148.0664       7.757547      146.7204       7.573349      121.6002 3.189775 121.0494 3.128207 0.5508575      4.467700 
1 1 1 15 8  23 o 86.49648 2.415975 74.95419       4.175615      78.28393       5.890069      71.69532       5.921240      88.40119 3.331442 84.59176 3.499892 3.809433       4.831951 
1 1 1 15 8  24 o 286.1616 2.769999 821.0956       15.86932      811.1773       20.58761      831.7224       24.15112      284.4368 3.619013 287.8863 4.194559 -3.449493      5.539999 
1 1 1 15 8  25 o 270.2571 2.496426 732.5391       13.49601      742.4575       19.14237      722.6208       19.02193      272.0896 3.517658 268.4246 3.543254 3.665009       4.992852 
1 1 1 15 8  26 o 299.5377 2.649514 900.4422       15.87640      916.0281       22.64920      884.8563       22.24539      302.1299 3.748255 296.9455 3.745702 5.184448       5.299028 
1 1 1 15 8  27 o 89.90387 2.757398 81.75533       4.782758      67.78467       7.679617      95.78268       5.705871      82.06344 4.679074 97.74429 2.918775 -15.68085      5.514796 
1 1 1 15 8  28 f 133.9147 2.203656 179.8759       5.892194      178.1756       9.372816      181.5762       7.148279      133.2266 3.517623 134.6029 2.655322 -1.376266      4.407312 
1 1 1 15 8  29 f 76.08366 2.682897 58.36934       4.016922      51.48319       6.179117      65.25550       5.134150      71.52527 4.319534 80.64207 3.183295 -9.116798      5.365794 
1 1 1 15 8  30 o 101.7940 3.224023 104.4966       6.471707      100.5293       11.70362      108.4640       5.522382      99.58677 5.876094 104.0012 2.654961 -4.414429      6.448046 
1 1 1 15 8  31 o 173.2590 3.007477 302.9340       10.59135      320.0785       19.31240      285.7186       8.713958      177.7374 5.432846 168.7806 2.581444 8.956757       6.014954 
1 1 1 15 8  32 o 69.75987 3.737252 0.000000       0.000000      ?              ?             49.04612       5.214205      ?        ?        69.75987 3.737252 ?              ?        
1 1 1 15 8  33 o 126.1017 3.207544 161.0311       7.920490      152.3171       14.37449      169.6742       6.658030      122.1923 5.881912 130.0112 2.560561 -7.818855      6.415088 
1 1 1 15 8  34 o 76.45988 4.479136 60.37426       6.405112      50.74640       11.62569      70.00212       5.379274      69.55579 8.357100 83.36397 3.226379 -13.80817      8.958271 
1 1 1 15 8  35 o 28.53072 13.02323 -5.463580      16.67695      -5.463580      16.67695      ?              ?             28.53072 13.02323 ?        ?        ?              ?        
1 1 1 15 8  36 o 71.37441 3.406670 52.08537       4.858562      52.42543       8.295970      51.74532       5.061180      71.24657 5.822014 71.50226 3.539175 -0.2556915     6.813340 
1 1 1 15 8  37 o 39.38382 5.593089 17.00284       4.395235      18.37016       7.537927      15.63553       4.527007      40.01319 9.540317 38.75444 5.840629 1.258747       11.18618 
1 1 1 15 8  38 o 112.5660 3.039204 130.2843       6.780592      121.2869       10.45675      139.2816       8.628942      108.2838 4.828401 116.8483 3.692371 -8.564499      6.078409 
1 1 1 15 8  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 8  40 o 36.65629 6.248913 16.77614       5.004504      9.174451       7.389152      24.37783       6.750128      27.15147 10.13597 46.16111 7.311489 -19.00963      12.49783 
1 1 1 15 8  41 f 41.05988 5.375392 20.12003       4.193326      17.34290       6.805388      22.89716       4.901778      36.29715 9.325843 45.82260 5.348647 -9.525444      10.75078 
1 1 1 15 8  42 o 48.14925 4.440790 26.89283       4.279048      28.28139       7.033509      25.51135       4.875566      48.23469 7.290925 48.06382 5.071970 0.1708641      8.881579 
1 1 1 15 9  0  o 34.06940 8.075952 13.38974       4.773548      13.38974       4.773548      13.38974       4.773548      34.06940 8.075952 34.06940 8.075952 0.000000       0.000000 
1 1 1 15 9  1  o 711.0874 5.290637 5062.597       75.23758      5107.938       107.3305      5017.964       105.4885      714.2429 7.513582 707.9319 7.450467 6.310913       10.58127 
1 1 1 15 9  2  o 391.4039 3.155816 1533.090       24.70371      1513.961       34.56536      1551.509       35.30924      389.0075 4.442763 393.8003 4.483140 -4.792755      6.311632 
1 1 1 15 9  3  o 476.4224 3.701229 2271.297       35.26673      2274.130       49.99545      2268.463       49.75457      476.7191 5.243701 476.1258 5.224940 0.5932922      7.402458 
1 1 1 15 9  4  o 251.6056 2.377755 633.2850       11.96575      638.3151       17.08077      628.1841       16.76197      252.6115 3.380838 250.5997 3.344372 2.011841       4.755511 
1 1 1 15 9  5  o 253.3880 2.860054 642.4241       14.56577      656.5931       24.94459      628.2551       15.04752      256.1570 4.869005 250.6190 3.002070 5.537949       5.720108 
1 1 1 15 9  6  o 607.6963 4.735759 3698.118       57.41294      3613.813       89.33577      3782.424       72.12038      600.6786 7.436238 614.7139 5.866176 -14.03534      9.471519 
1 1 1 15 9  7  o 791.3502 7.634529 6283.259       121.0744      6390.943       189.9359      6175.574       150.1209      797.8550 11.90291 784.8453 9.563727 13.00970       15.26906 
1 1 1 15 9  8  o 270.1460 2.623407 730.4138       14.18321      732.5391       22.54293      727.5800       17.20829      270.5918 4.165487 269.7002 3.190264 0.8916321      5.246814 
1 1 1 15 9  9  o 86.25848 2.950150 74.45828       5.110063      76.86702       8.203872      72.04955       6.099061      87.64909 4.679953 84.86787 3.593269 2.781212       5.900300 
1 1 1 15 9  10 o 278.8319 2.697204 777.8801       14.95542      740.3321       23.07428      816.1365       19.04318      272.0251 4.241203 285.6386 3.333440 -13.61353      5.394407 
1 1 1 15 9  11 o 256.7754 2.624276 659.6395       13.49601      667.5032       21.55110      651.7756       16.25897      258.2917 4.171855 255.2591 3.184797 3.032532       5.248553 
1 1 1 15 9  12 o 268.5515 2.627599 721.9124       14.10528      719.0786       22.35165      724.0377       17.21538      268.0729 4.168950 269.0302 3.199526 -0.9572144     5.255198 
1 1 1 15 9  13 o 109.2767 2.591954 119.6575       5.628649      110.3768       8.373900      128.9382       7.523758      105.0272 3.986540 113.5262 3.313667 -8.499001      5.183907 
1 1 1 15 9  14 o 94.40886 2.622118 89.19408       4.963413      90.96520       7.927575      87.42295       5.975791      95.33884 4.157579 93.47889 3.196332 1.859947       5.244235 
1 1 1 15 9  15 o 184.4052 2.610246 340.5528       9.755382      360.0352       16.86824      321.0703       9.797889      189.6576 4.447023 179.1528 2.734506 10.50484       5.220492 
1 1 1 15 9  16 o 192.5675 2.254502 371.0162       8.671450      368.6783       13.76522      373.3541       10.56302      191.9477 3.585669 193.1873 2.733880 -1.239594      4.509005 
1 1 1 15 9  17 o 237.1616 2.423932 563.2192       11.57610      590.5654       18.75272      535.8729       13.57394      242.8984 3.860199 231.4249 2.932688 11.47351       4.847865 
1 1 1 15 9  18 o 343.7867 2.993167 1183.823       20.55927      1174.613       32.30540      1193.033       25.44050      342.3821 4.717741 345.1913 3.684986 -2.809204      5.986334 
1 1 1 15 9  19 o 279.2639 2.742325 780.7139       15.30964      777.1716       23.06011      784.9646       20.14837      278.5379 4.139492 279.9898 3.598054 -1.451965      5.484650 
1 1 1 15 9  20 o 104.1661 2.635037 108.8182       5.480583      100.8835       7.715039      116.7529       7.785885      100.3581 3.843754 107.9740 3.605445 -7.615852      5.270074 
1 1 1 15 9  21 o 74.07597 3.114559 55.00420       4.614146      55.51429       6.550345      54.50119       6.500753      74.41719 4.401097 73.73475 4.408202 0.6824417      6.229117 
1 1 1 15 9  22 o 181.4966 2.579800 330.1385       9.415324      341.8280       15.32381      318.4491       10.93850      184.6606 4.149182 178.3325 3.066882 6.328125       5.159600 
1 1 1 15 9  23 o 182.7279 2.355680 334.7435       8.586436      318.5908       12.67420      350.8961       11.57610      178.2919 3.554340 187.1639 3.092504 -8.871994      4.711360 
1 1 1 15 9  24 o 281.1405 2.787432 792.7576       15.65678      782.8392       23.54894      803.3843       20.64428      279.2513 4.216443 283.0297 3.647017 -3.778473      5.574865 
1 1 1 15 9  25 o 37.90836 4.868435 14.95542       3.544384      11.70362       5.219164      18.20721       4.795510      33.30569 7.936845 42.51102 5.640314 -9.205338      9.736870 
1 1 1 15 9  26 f 105.2201 2.581791 111.0852       5.433825      110.4476       7.722124      111.7937       7.644195      104.8984 3.680765 105.5419 3.621402 -0.6435623     5.163583 
1 1 1 15 9  27 o 54.02599 3.421291 29.41492       3.719372      31.20730       5.870940      27.62962       4.567389      55.63498 5.276303 52.41699 4.356783 3.217987       6.842582 
1 1 1 15 9  28 o 18.76923 5.394251 1.555760       3.180948      2.092058       4.947828      1.019462       3.998502      20.15419 8.078408 17.38426 7.150602 2.769934       10.78850 
1 1 1 15 9  29 o 118.1078 2.305178 140.2026       5.394860      130.7094       8.430575      149.6250       6.733834      114.0563 3.695796 122.1593 2.756170 -8.102966      4.610356 
1 1 1 15 9  30 o 35.09459 5.478849 13.12053       3.780298      14.57994       5.991377      11.66820       4.612021      36.98450 8.304052 33.20467 7.149397 3.779835       10.95770 
1 1 1 15 9  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  32 f 11.12449 5.479426 0.000000       0.000000      ?              ?             -8.905238      4.288259      ?        ?        11.12449 5.479426 ?              ?        
1 1 1 15 9  33 f 153.5044 2.996072 238.3232       9.216957      241.6529       16.72655      234.9226       7.757547      154.0432 5.429173 152.9656 2.535716 1.077591       5.992143 
1 1 1 15 9  34 o 109.6048 3.597158 122.4205       7.707955      115.5485       13.93525      129.3633       6.574432      105.8211 6.584341 113.3884 2.899077 -7.567276      7.194317 
1 1 1 15 9  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 9  36 o 114.9339 3.446900 135.6685       8.040927      144.2408       14.69329      127.0962       6.554596      117.6469 6.244658 112.2210 2.920397 5.425896       6.893799 
1 1 1 15 9  37 o 72.38799 4.622941 55.79058       6.886859      62.98137       12.46167      48.59270       5.863855      75.92102 8.206994 68.85494 4.258122 7.066078       9.245883 
1 1 1 15 9  38 o 37.19616 7.441885 15.55760       6.755795      11.43441       11.97283      19.68079       6.269798      32.39947 12.70260 41.99284 7.756963 -9.593369      14.88377 
1 1 1 15 9  39 o 22.89285 7.197780 3.263129       6.641027      8.168448       11.39899      -1.638649      6.820973      27.49727 11.73200 18.28843 8.342197 9.208843       14.39556 
1 1 1 15 9  40 o 84.97693 3.872216 77.57547       6.427783      75.30843       11.49109      79.77167       5.756879      81.82146 7.022051 88.13239 3.266040 -6.310936      7.744431 
1 1 1 15 9  41 o 56.74328 4.013957 35.58553       4.404445      32.70922       7.438744      38.46893       4.712621      52.98242 7.020012 60.50415 3.894462 -7.521729      8.027913 
1 1 1 15 9  42 o 45.68582 5.439111 26.32607       4.816055      24.29281       7.007296      28.35224       6.608438      42.78934 8.489893 48.58230 6.801281 -5.792965      10.87822 
1 1 1 15 10 0  o 93.64057 3.469400 88.06055       6.478083      88.06055       6.478083      88.06055       6.478083      93.64057 3.469400 93.64057 3.469400 0.000000       0.000000 
1 1 1 15 10 1  o 613.0096 5.504694 3764.713       67.72799      3825.640       115.5485      3703.078       70.66807      617.7731 9.352016 608.2462 5.809166 9.526917       11.00939 
1 1 1 15 10 2  f 407.2453 3.383954 1659.194       27.56586      1659.903       43.63354      1659.194       33.68688      407.2558 5.357019 407.2348 4.136052 0.2105713E-01  6.767908 
1 1 1 15 10 3  o 340.8774 2.977092 1162.569       20.27589      1154.776       32.00785      1170.362       24.90916      339.7133 4.711009 342.0414 3.641250 -2.328094      5.954184 
1 1 1 15 10 4  o 147.9090 2.375238 218.9825       7.057597      230.1051       10.96683      207.8598       8.883986      151.6640 3.615502 144.1540 3.081422 7.510040       4.750476 
1 1 1 15 10 5  o 401.2223 4.090235 1612.436       33.15554      1697.451       55.84017      1527.422       35.75556      411.7366 6.781055 390.7081 4.575739 21.02850       8.180470 
1 1 1 15 10 6  o 320.8625 2.907438 1030.089       18.70313      1049.217       29.93209      1010.961       22.43667      323.8225 4.621681 317.9025 3.528860 5.920074       5.814876 
1 1 1 15 10 7  o 148.5255 2.385578 220.7536       7.112856      227.6256       11.38482      213.8107       8.536844      150.8446 3.773692 146.2064 2.919449 4.638184       4.771156 
1 1 1 15 10 8  o 114.4763 2.674168 131.2761       6.177700      139.9192       10.00334      122.5622       7.247461      118.2602 4.229378 110.6925 3.273692 7.567680       5.348336 
1 1 1 15 10 9  o 325.8515 2.975409 1062.678       19.41158      1070.471       30.95934      1054.176       23.42141      327.0801 4.732685 324.6229 3.607480 2.457184       5.950817 
1 1 1 15 10 10 o 473.0384 3.865745 2239.416       36.59153      2249.334       58.10722      2230.206       44.49077      473.9912 6.129566 472.0856 4.712151 1.905640       7.731491 
1 1 1 15 10 11 f 208.4422 2.442837 434.7060       10.18754      436.7605       16.29439      432.5807       12.24205      208.9310 3.899467 207.9533 2.943460 0.9776917      4.885673 
1 1 1 15 10 12 o 75.28723 3.058519 56.79658       4.642484      60.85601       7.410406      52.73715       5.593227      77.97543 4.751757 72.59903 3.852136 5.376396       6.117038 
1 1 1 15 10 13 o 171.6270 2.292106 294.7159       7.842561      286.5688       12.34123      302.9340       9.670367      169.2337 3.646209 174.0203 2.778517 -4.786606      4.584212 
1 1 1 15 10 14 o 352.5042 3.053941 1243.333       21.54402      1249.709       34.23948      1237.665       26.15604      353.3177 4.845423 351.6906 3.718615 1.627106       6.107882 
1 1 1 15 10 15 o 145.5761 2.656468 212.2522       7.856731      225.7836       13.70146      198.7916       7.679617      150.1843 4.561547 140.9678 2.723890 9.216522       5.312936 
1 1 1 15 10 16 o 302.9034 2.886755 918.8620       17.52001      937.2817       26.91408      899.7338       22.42958      305.9754 4.398079 299.8315 3.740365 6.143921       5.773511 
1 1 1 15 10 17 o 50.77077 3.801461 26.04977       3.921989      30.66888       6.339935      21.42358       4.619106      55.30391 5.731905 46.23763 4.994964 9.066284       7.602921 
1 1 1 15 10 18 o 42.61539 4.274774 18.24263       3.665530      19.34073       5.793010      17.14453       4.493710      43.88457 6.600281 41.34620 5.434247 2.538368       8.549547 
1 1 1 15 10 19 o 212.1160 2.345917 450.5045       9.939578      446.3246       15.73471      454.6135       12.14995      211.1077 3.726703 213.1244 2.850436 -2.016693      4.691834 
1 1 1 15 10 20 o 207.9552 2.415134 433.1474       10.06001      442.4990       15.50093      423.7250       12.83715      210.1850 3.687449 205.7255 3.119969 4.459427       4.830268 
1 1 1 15 10 21 o 160.8969 2.448602 259.4350       7.877984      247.3205       10.98100      271.5496       11.29981      157.1359 3.494110 164.6579 3.431298 -7.521973      4.897204 
1 1 1 15 10 22 o 119.3325 2.389108 142.6822       5.691702      138.9274       8.522675      146.4370       7.545012      117.7463 3.619083 120.9187 3.119870 -3.172363      4.778216 
1 1 1 15 10 23 o 183.1896 2.370011 336.3729       8.685618      336.4438       13.20554      336.2312       11.27855      183.1864 3.604399 183.1928 3.078329 -0.6317139E-02 4.740021 
1 1 1 15 10 24 o 96.44875 2.795822 93.86986       5.391318      107.6847       8.005506      80.05505       7.219123      103.5925 3.863939 89.30494 4.041839 14.28761       5.591644 
1 1 1 15 10 25 o 124.9671 2.373007 156.6387       5.935409      158.4098       9.096521      154.7967       7.630026      125.6600 3.619499 124.2743 3.069833 1.385658       4.746013 
1 1 1 15 10 26 f 64.60126 3.196357 42.16705       4.079974      36.59862       6.002712      47.73548       5.526632      60.27567 4.979383 68.92685 4.009057 -8.651184      6.392713 
1 1 1 15 10 27 o 63.43784 3.173947 40.50927       4.034633      42.30166       6.038843      38.70980       5.352353      64.83037 4.657419 62.04532 4.313261 2.785049       6.347895 
1 1 1 15 10 28 o 78.41309 2.710315 61.81242       4.260629      63.25058       6.687785      60.37426       5.280799      79.28299 4.217667 77.54317 3.405071 1.739815       5.420629 
1 1 1 15 10 29 o 123.6022 2.370180 153.4507       5.829141      148.1373       9.273635      158.8349       7.062556      121.3674 3.820480 125.8370 2.806232 -4.469620      4.740359 
1 1 1 15 10 30 o 203.6258 2.444056 416.7114       9.925409      407.9265       15.69929      425.4961       12.14286      201.3438 3.898628 205.9079 2.948616 -4.564087      4.888112 
1 1 1 15 10 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 32 o 226.7653 3.209576 520.0745       14.51618      515.7529       24.67537      524.3961       15.28131      225.2401 5.477572 228.2906 3.346898 -3.050537      6.419153 
1 1 1 15 10 33 o 91.72075 3.995038 85.93520       7.275800      85.43929       13.31889      86.36028       5.880150      90.82155 7.332453 92.61995 3.174343 -1.798401      7.990077 
1 1 1 15 10 34 o 139.3261 3.284815 197.4455       9.174451      200.8461       16.62028      194.0449       7.764632      139.7806 5.945130 138.8716 2.795615 0.9089966      6.569630 
1 1 1 15 10 35 o 107.1414 3.733801 117.9572       8.012589      120.7202       14.61536      115.2651       6.583642      107.4250 6.802588 106.8578 3.080563 0.5672455      7.467601 
1 1 1 15 10 36 o 47.50991 6.510248 25.10753       6.091977      24.91625       11.36357      25.29881       4.386024      45.27781 12.25137 49.74200 4.408774 -4.464188      13.02050 
1 1 1 15 10 37 o 97.24326 3.983883 99.18325       7.743378      102.3004       14.20446      96.13691       6.181242      97.19611 7.307113 97.29041 3.176696 -0.9430695E-01 7.967766 
1 1 1 15 10 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 10 39 o 31.25961 7.860610 9.500339       8.770633      5.695244       16.59903      13.30472       5.669739      29.22228 13.23357 33.29694 8.487017 -4.074661      15.72122 
1 1 1 15 10 40 o 53.83376 7.238533 37.40625       7.573349      40.24006       14.44533      34.56536       4.567389      50.11185 13.92271 57.55566 3.967802 -7.443817      14.47707 
1 1 1 15 10 41 o 46.79101 7.371204 31.49777       7.332476      35.24548       14.00609      27.75006       4.359104      42.59236 14.10912 50.98965 4.274498 -8.397289      14.74241 
1 1 1 15 10 42 o 21.65757 6.292276 3.880899       6.106146      1.236248       11.51234      6.525549       4.073598      21.05982 10.02363 22.25532 7.609057 -1.195496      12.58455 
1 1 1 15 11 0  o 358.1398 6.102575 1284.423       43.68314      1284.423       43.68314      1284.423       43.68314      358.1398 6.102575 358.1398 6.102575 0.000000       0.000000 
1 1 1 15 11 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 3  o 400.3227 3.384337 1603.226       27.09119      1599.684       42.74090      1607.477       33.29015      399.8056 5.345210 400.8398 4.152551 -1.034180      6.768674 
1 1 1 15 11 4  o 227.8968 2.505316 519.5786       11.42024      520.4996       18.21429      518.5867       13.78647      228.0963 3.992677 227.6973 3.027369 0.3990173      5.010632 
1 1 1 15 11 5  f 238.6483 2.548838 569.7369       12.17829      575.4045       19.48242      564.0693       14.62953      239.8245 4.061809 237.4722 3.080262 2.352356       5.097676 
1 1 1 15 11 6  o 164.9823 2.478284 272.3997       8.133026      260.8520       12.84423      283.9475       9.967916      161.4762 3.977128 168.4884 2.958042 -7.012192      4.956567 
1 1 1 15 11 7  o 604.9147 4.770342 3663.404       57.78133      3703.078       92.16957      3624.439       69.74708      608.0648 7.578927 601.7645 5.795214 6.300354       9.540684 
1 1 1 15 11 8  o 267.1084 2.751204 714.1194       14.74997      732.5391       23.88191      695.2746       17.32873      270.5777 4.413134 263.6390 3.286450 6.938660       5.502409 
1 1 1 15 11 9  o 126.7823 2.612962 160.8186       6.637485      163.0856       10.63386      158.5515       7.948828      127.6682 4.164649 125.8964 3.156893 1.771790       5.225924 
1 1 1 15 11 10 o 149.1248 2.455373 222.5956       7.275800      212.4647       11.53359      232.7264       8.869816      145.7196 3.957461 152.5300 2.907565 -6.810349      4.910747 
1 1 1 15 11 11 o 497.1602 4.018706 2474.622       40.02044      2503.669       63.86693      2446.284       48.23848      499.9574 6.387238 494.3630 4.878852 5.594360       8.037413 
1 1 1 15 11 12 o 345.4406 3.177370 1194.450       21.92658      1173.905       32.86508      1214.995       29.03235      342.4478 4.798553 348.4335 4.166126 -5.985657      6.354740 
1 1 1 15 11 13 o 212.2318 2.380930 450.7170       10.12378      456.4555       16.22355      444.9077       12.11453      213.5760 3.798074 210.8876 2.872271 2.688400       4.761859 
1 1 1 15 11 14 o 194.8329 2.318703 379.8010       9.046929      382.1389       14.46659      377.4631       10.85348      195.4186 3.701435 194.2472 2.793729 1.171371       4.637406 
1 1 1 15 11 15 o 191.9632 2.304496 368.7492       8.827310      362.3022       13.99901      375.1960       10.75430      190.2691 3.678738 193.6573 2.776631 -3.388184      4.608991 
1 1 1 15 11 16 o 148.2482 2.554004 220.3994       7.580434      201.6254       10.27255      239.1733       11.14395      141.9224 3.619073 154.5740 3.604728 -12.65161      5.108009 
1 1 1 15 11 17 o 151.0122 2.242010 228.4757       6.825224      242.2197       11.03059      214.7317       8.040927      155.5402 3.545899 146.4843 2.744638 9.055893       4.484021 
1 1 1 15 11 18 o 99.41661 2.456259 99.39579       4.953495      112.5022       8.012589      86.28942       5.826308      105.9885 3.779933 92.84470 3.137663 13.14381       4.912517 
1 1 1 15 11 19 o 120.4686 2.624698 145.6577       6.193994      131.6304       10.21588      159.7559       7.006588      114.5988 4.457235 126.3385 2.772943 -11.73966      5.249396 
1 1 1 15 11 20 o 151.2877 2.336115 229.3967       7.105771      242.7156       11.10852      216.0778       8.862731      155.6656 3.568072 146.9097 3.016387 8.755920       4.672229 
1 1 1 15 11 21 o 61.05012 3.235465 37.38500       3.939700      36.60571       6.201787      38.17138       4.859979      60.38685 5.135048 61.71339 3.937541 -1.326538      6.470931 
1 1 1 15 11 22 o 216.5706 2.371020 470.0578       10.24421      461.8397       16.08894      478.2050       12.69546      214.6302 3.748061 218.5111 2.904991 -3.880936      4.742039 
1 1 1 15 11 23 f 135.6351 2.367530 184.4809       6.402279      177.8922       9.670367      191.0694       8.395153      133.1829 3.630484 138.0873 3.039800 -4.904404      4.735060 
1 1 1 15 11 24 o 101.5490 2.534079 103.4340       5.146194      103.5048       7.821308      103.3631       6.692035      101.5601 3.850580 101.5379 3.295339 0.2225494E-01  5.068158 
1 1 1 15 11 25 o 118.2249 2.430505 140.2026       5.756171      142.8947       8.820225      137.5813       7.396237      119.3149 3.696194 117.1349 3.157146 2.180092       4.861010 
1 1 1 15 11 26 o 103.7323 2.506946 108.0389       5.186575      104.1424       7.814223      111.9354       6.818849      101.8282 3.836966 105.6365 3.227506 -3.808342      5.013891 
1 1 1 15 11 27 o 55.81535 3.684035 31.70322       4.031799      25.90808       5.909196      37.49835       5.485542      50.60549 5.838493 61.02520 4.494490 -10.41971      7.368069 
1 1 1 15 11 28 o 107.7439 2.669691 116.6820       5.749086      112.9272       8.118857      120.4368       8.147196      106.0023 3.829566 109.4854 3.720676 -3.483093      5.339382 
1 1 1 15 11 29 o 157.0244 2.417849 247.7456       7.573349      240.6611       11.43441      254.8301       9.939578      154.7186 3.695227 159.3302 3.119177 -4.611526      4.835697 
1 1 1 15 11 30 o 47.71652 4.966224 23.35765       4.762213      25.29881       7.325392      21.40941       6.089851      49.64939 7.377122 45.78366 6.650683 3.865730       9.932447 
1 1 1 15 11 31 o 87.53012 3.114200 77.57547       5.381400      70.12255       8.281801      85.08506       6.877649      83.17279 4.978673 91.88745 3.742432 -8.714661      6.228401 
1 1 1 15 11 32 o 24.20490 5.316907 3.335391       3.739208      -4.240792      5.852520      10.91016       4.655237      16.50811 7.609279 31.90168 7.428114 -15.39356      10.63381 
1 1 1 15 11 33 o 47.05328 7.653033 23.22305       8.026759      16.28022       15.26714      30.16588       4.974040      39.58274 14.61061 54.52383 4.561346 -14.94108      15.30607 
1 1 1 15 11 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 35 o 50.12226 8.066994 28.71355       8.798972      30.83891       16.98159      26.58820       4.606353      49.18167 15.49068 51.06285 4.510475 -1.881184      16.13399 
1 1 1 15 11 36 o 102.2793 4.989885 112.2188       10.84640      133.8974       20.97017      90.54014       5.537968      109.8889 9.541532 94.66975 2.924888 15.21918       9.979770 
1 1 1 15 11 37 o 65.72974 8.197828 51.70281       9.889987      47.48044       18.96525      55.92518       5.631483      57.47473 15.94783 73.98473 3.805842 -16.51000      16.39566 
1 1 1 15 11 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 11 40 o 58.03683 6.125007 41.33816       5.805762      28.00510       10.45675      54.66414       5.047719      43.48432 11.74623 72.58934 3.476901 -29.10502      12.25001 
1 1 1 15 11 41 o 48.08585 7.157815 33.19805       7.615856      26.21272       14.53035      40.18338       4.578724      34.43675 13.82697 61.73495 3.708373 -27.29819      14.31563 
1 1 1 15 12 0  o 203.4606 3.411030 414.3734       13.87149      414.3734       13.87149      414.3734       13.87149      203.4606 3.411030 203.4606 3.411030 0.000000       0.000000 
1 1 1 15 12 1  o 41.10478 5.740727 17.34290       4.628315      14.60119       6.480209      20.08461       6.609147      37.42517 8.796383 44.78439 7.378850 -7.359222      11.48145 
1 1 1 15 12 2  f 201.7182 2.417045 407.0764       9.748297      401.9047       13.74396      412.1772       13.83606      200.4453 3.428359 202.9911 3.408046 -2.545853      4.834090 
1 1 1 15 12 3  o 348.0688 3.011142 1212.161       20.96309      1231.289       30.05252      1193.033       29.23781      350.8143 4.283253 345.3232 4.233397 5.491058       6.022284 
1 1 1 15 12 4  o 135.7544 2.591460 184.4100       7.032801      178.1756       9.932493      190.6444       9.960832      133.4583 3.721199 138.0505 3.607677 -4.592270      5.182919 
1 1 1 15 12 5  o 372.0586 3.002454 1385.023       22.35874      1404.151       33.68688      1365.895       29.41492      374.6169 4.496178 369.5004 3.980364 5.116486       6.004908 
1 1 1 15 12 6  o 335.0419 3.057863 1122.896       20.43883      1101.642       32.11412      1144.858       25.29881      331.7958 4.839440 338.2880 3.739242 -6.492188      6.115726 
1 1 1 15 12 7  o 328.8637 3.011512 1081.806       19.82248      1088.182       31.54028      1076.138       24.01651      329.7534 4.782403 327.9740 3.661345 1.779449       6.023024 
1 1 1 15 12 8  o 551.9237 4.397996 3050.594       48.44393      3001.002       75.87518      3100.185       60.27508      547.3453 6.931199 556.5021 5.415531 -9.156738      8.795993 
1 1 1 15 12 9  o 178.3022 2.413765 318.0949       8.628942      324.8251       13.87149      311.3646       10.27963      180.1779 3.849387 176.4265 2.913291 3.751343       4.827529 
1 1 1 15 12 10 o 206.9035 4.364824 429.7468       17.81756      470.9079       22.30206      388.5858       27.78548      216.8849 5.141451 196.9220 7.054944 19.96288       8.729649 
1 1 1 15 12 11 o 381.5587 3.258244 1457.285       24.84540      1448.075       39.19864      1466.495       30.53427      380.3069 5.153553 382.8105 3.988171 -2.503510      6.516488 
1 1 1 15 12 12 o 249.0424 2.637801 620.6038       13.12761      615.1487       19.90749      626.1297       17.12328      247.9280 4.014774 250.1570 3.422507 -2.228989      5.275601 
1 1 1 15 12 13 o 47.29111 4.325856 22.45792       4.134524      24.61870       6.630400      20.29714       4.940743      49.56301 6.688859 45.01920 5.487373 4.543816       8.651711 
1 1 1 15 12 14 o 294.3441 2.756603 867.1450       16.24480      873.5211       25.94350      860.7689       19.55327      295.3920 4.391368 293.2961 3.333367 2.095978       5.513207 
1 1 1 15 12 15 o 204.9017 2.714948 420.3245       11.14395      423.3000       19.00776      417.3489       11.63278      205.5752 4.623067 204.2281 2.847987 1.347107       5.429897 
1 1 1 15 12 16 o 75.04028 3.044102 56.42110       4.578016      57.75299       7.063264      55.08213       5.825599      75.91750 4.651935 74.16308 3.927560 1.754417       6.088203 
1 1 1 15 12 17 o 235.4201 2.464587 555.0011       11.63278      565.4153       18.65354      544.5161       13.90691      237.5976 3.925448 233.2427 2.981210 4.354843       4.929173 
1 1 1 15 12 18 o 304.0763 2.799837 926.6550       17.05952      938.6987       27.25414      913.9028       20.51676      306.0404 4.452703 302.1122 3.395554 3.928223       5.599673 
1 1 1 15 12 19 o 137.2551 2.613589 188.7316       7.204955      192.3447       12.29164      185.1185       7.516674      138.5172 4.436864 135.9930 2.763625 2.524185       5.227177 
1 1 1 15 12 20 o 275.4946 2.647421 760.1688       14.62245      774.3378       23.41433      746.7082       17.52001      277.9255 4.212339 273.0637 3.208045 4.861847       5.294842 
1 1 1 15 12 21 o 159.8183 2.258240 255.9636       7.254546      266.3070       11.75322      245.6202       8.522675      163.0112 3.605033 156.6254 2.720720 6.385849       4.516479 
1 1 1 15 12 22 o 203.4760 2.354944 415.0819       9.613690      425.1419       15.39466      404.9510       11.51943      205.8900 3.738564 201.0620 2.864645 4.827927       4.709889 
1 1 1 15 12 23 o 114.5407 2.545784 131.8429       5.924782      143.1781       9.989170      120.5076       6.368274      119.4134 4.182601 109.6681 2.903431 9.745285       5.091568 
1 1 1 15 12 24 o 105.3031 2.468951 111.2269       5.202161      111.9354       8.288886      110.5185       6.293177      105.5963 3.924799 105.0099 2.996468 0.5863800      4.937901 
1 1 1 15 12 25 f 144.0630 2.527859 208.3557       7.289969      215.3693       10.77555      201.4128       9.826226      146.4597 3.678676 141.6663 3.468088 4.793320       5.055719 
1 1 1 15 12 26 o 46.82128 4.377056 22.17454       4.098393      22.18163       5.972957      22.16746       5.614480      46.81220 6.379702 46.83037 5.994487 -0.1816940E-01 8.754111 
1 1 1 15 12 27 o 127.0975 2.579868 162.3063       6.562388      165.2818       9.578268      159.3308       8.969000      128.2485 3.734261 125.9464 3.560641 2.302109       5.159736 
1 1 1 15 12 28 o 123.5602 2.661151 153.5215       6.573016      150.6169       9.443663      156.4261       9.146112      122.3740 3.858525 124.7465 3.665880 -2.372459      5.322301 
1 1 1 15 12 29 o 84.79605 3.309837 72.68716       5.676824      78.85069       9.245295      66.50945       6.587184      88.30882 5.234639 81.28329 4.051992 7.025536       6.619675 
1 1 1 15 12 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 12 31 o 29.19366 6.098360 8.210957       4.219539      4.184116       6.832309      12.23496       4.953495      24.56377 9.602831 33.82355 7.519681 -9.259773      12.19672 
1 1 1 15 12 32 o 41.96207 5.141586 19.00776       4.327932      25.29881       7.134109      12.72379       4.901069      49.47003 7.210537 34.45411 7.331562 15.01593       10.28317 
1 1 1 15 12 33 o 57.09718 3.979590 33.70105       4.647444      40.04878       7.707955      27.35332       5.200036      62.38689 6.177545 51.80748 5.018615 10.57941       7.959181 
1 1 1 15 12 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 12 35 o 143.2521 3.289762 210.4102       9.528677      220.6827       17.56960      200.0668       7.396237      145.6038 6.033360 140.9003 2.624635 4.703522       6.579524 
1 1 1 15 12 36 o 91.82312 4.244205 88.55647       7.516674      83.45561       13.90691      93.65733       5.728541      87.47895 7.948717 96.16728 2.978425 -8.688332      8.488410 
1 1 1 15 12 37 o 27.30300 7.565925 1.702410       8.827310      -5.110063      16.96742      8.515590       4.879108      27.18622 12.69286 27.41978 8.237967 -0.2335587     15.13185 
1 1 1 15 12 38 o 42.90229 7.566871 22.57836       9.124859      13.90691       17.20121      31.24981       6.082767      32.00402 14.03827 53.80057 5.653069 -21.79655      15.13374 
1 1 1 15 12 39 o 27.08889 7.937344 11.01642       7.452912      20.29006       14.01318      1.743500       5.064013      35.56830 13.78372 18.60949 7.874956 16.95881       15.87469 
1 1 1 15 12 40 o 27.76737 7.561470 12.39082       6.851437      18.03718       13.04260      6.748003       4.203244      32.01410 12.99857 23.52063 7.729193 8.493469       15.12294 
1 1 1 15 12 41 o 39.70769 7.400145 24.71080       7.169532      24.56911       12.99301      24.84540       6.069307      33.69836 13.22826 45.71702 6.637908 -12.01866      14.80029 
1 1 1 15 13 0  o 112.5111 4.273155 127.1671       9.585353      127.1671       9.585353      127.1671       9.585353      112.5111 4.273155 112.5111 4.273155 0.000000       0.000000 
1 1 1 15 13 1  o 276.1647 2.720474 763.0026       15.02626      757.3350       21.14729      768.6702       21.35274      275.1391 3.843017 277.1902 3.851640 -2.051117      5.440948 
1 1 1 15 13 2  o 159.7647 2.791450 255.3969       8.905238      261.2062       11.76738      249.5876       13.36848      161.5874 3.641182 157.9420 4.232086 3.645386       5.582899 
1 1 1 15 13 3  f 333.8929 2.987156 1115.103       19.95000      1109.436       28.07594      1121.479       28.34516      332.9920 4.215709 334.7937 4.233227 -1.801758      5.974312 
1 1 1 15 13 4  o 456.8419 3.668773 2089.224       33.52394      2075.764       47.14746      2101.976       47.66463      455.4096 5.176380 458.2742 5.200449 -2.864624      7.337546 
1 1 1 15 13 5  o 324.6924 2.892423 1054.885       18.78814      1066.220       26.77948      1043.549       26.34732      326.4364 4.101791 322.9484 4.079185 3.488037       5.784846 
1 1 1 15 13 6  o 58.12707 4.263040 33.88525       4.947828      36.57028       7.066806      31.20022       6.927950      60.43594 5.846527 55.81821 6.205816 4.617729       8.526079 
1 1 1 15 13 7  o 407.3206 3.347010 1660.611       27.26831      1684.698       39.02861      1636.524       38.09346      410.2732 4.756417 404.3681 4.710245 5.905151       6.694020 
1 1 1 15 13 8  f 91.16842 2.985542 83.31393       5.505378      90.04422       8.997337      76.58364       6.347020      94.84820 4.743020 87.48864 3.627340 7.359558       5.971083 
1 1 1 15 13 9  o 358.1324 3.159084 1283.715       22.63503      1286.548       35.88308      1280.881       27.59420      358.4877 5.004786 357.7771 3.856339 0.7106018      6.318167 
1 1 1 15 13 10 o 236.7144 2.518975 560.7396       11.89491      547.9166       18.73146      573.5626       14.65078      233.9892 4.002635 239.4396 3.059390 -5.450439      5.037951 
1 1 1 15 13 11 o 349.9326 3.067464 1225.622       21.45900      1222.079       33.98443      1229.164       26.21272      349.3870 4.863437 350.4783 3.739563 -1.091370      6.134929 
1 1 1 15 13 12 o 197.8763 2.359689 391.7738       9.344479      394.5368       14.94125      389.0109       11.23604      198.5591 3.762419 197.1935 2.848990 1.365601       4.719379 
1 1 1 15 13 13 o 68.10928 3.438546 46.62321       4.717580      52.23415       7.332476      41.01228       5.938243      72.21835 5.076602 64.00022 4.639236 8.218124       6.877093 
1 1 1 15 13 14 o 349.4929 3.543451 1224.205       24.73914      1219.246       41.96868      1228.455       26.21980      348.6841 6.018154 350.3017 3.742460 -1.617645      7.086902 
1 1 1 15 13 15 o 277.9946 2.804974 773.6293       15.60719      781.4223       23.88899      766.5449       20.09169      279.2968 4.276632 276.6923 3.630692 2.604492       5.609948 
1 1 1 15 13 16 o 87.07881 2.726870 75.94603       4.739542      74.81251       7.509589      77.07955       5.783801      86.41118 4.345265 87.74644 3.295747 -1.335258      5.453739 
1 1 1 15 13 17 o 77.08335 3.146192 59.55246       4.859271      60.79225       7.424574      58.31975       6.266964      77.87093 4.767231 76.29577 4.107019 1.575165       6.292384 
1 1 1 15 13 18 o 155.2436 2.305478 241.3695       7.141194      237.9690       11.33523      244.6992       8.699788      154.1335 3.677082 156.3538 2.782084 -2.220276      4.610957 
1 1 1 15 13 19 o 233.2811 2.479463 545.1537       11.60444      557.8349       18.66062      532.5433       13.80064      235.9339 3.954628 230.6283 2.991966 5.305634       4.958926 
1 1 1 15 13 20 o 229.0213 2.469967 525.5295       11.32106      527.5132       18.03010      523.5459       13.68729      229.3945 3.929932 228.6481 2.993090 0.7463989      4.939934 
1 1 1 15 13 21 o 68.82570 3.162506 47.82758       4.389567      54.92627       6.856396      40.72181       5.482000      73.95471 4.635537 63.69669 4.303206 10.25802       6.325013 
1 1 1 15 13 22 o 123.8554 2.581155 153.9466       6.390944      148.8457       9.096521      158.9766       8.976085      121.8080 3.733959 125.9028 3.564687 -4.094833      5.162310 
1 1 1 15 13 23 f 130.3673 2.614491 170.5244       6.832309      173.4290       11.00226      167.6197       8.104689      131.4180 4.185979 129.3166 3.133662 2.101364       5.228982 
1 1 1 15 13 24 o 68.91325 3.340668 48.22431       4.500794      39.04278       6.649529      57.41294       6.065764      62.22969 5.342730 75.59682 4.011918 -13.36713      6.681335 
1 1 1 15 13 25 o 86.63203 3.090459 75.52096       5.307012      71.55363       8.515590      79.48829       6.337101      84.27361 5.052347 88.99045 3.560551 -4.716835      6.180917 
1 1 1 15 13 26 o 45.76790 4.775763 21.62903       4.155069      19.59578       6.779883      23.66937       4.805429      43.09521 8.162645 48.44059 4.960126 -5.345375      9.551525 
1 1 1 15 13 27 o 142.1791 2.691611 203.1840       7.622942      198.9332       12.35540      207.4347       8.940661      140.5732 4.394649 143.7849 3.109041 -3.211639      5.383222 
1 1 1 15 13 28 o 98.95206 3.007051 98.61649       5.928325      96.56198       9.549930      100.6710       7.031384      97.81064 4.881846 100.0935 3.512409 -2.282837      6.014103 
1 1 1 15 13 29 o 19.45126 6.124290 -2.427864      4.884775      -4.133108      7.729208      -0.7226208     5.977916      19.72939 8.967400 19.17313 8.343469 0.5562630      12.24858 
1 1 1 15 13 30 o 64.91074 3.776824 42.79757       4.899652      42.52128       7.516674      43.07387       6.284676      64.60751 5.817183 65.21397 4.818504 -0.6064606     7.553648 
1 1 1 15 13 31 o 61.20725 3.559993 38.27765       4.422156      44.37742       7.134109      32.17080       5.230500      66.05146 5.400418 56.36304 4.640008 9.688416       7.119985 
1 1 1 15 13 32 o 22.70349 6.014186 3.912779       3.812888      2.260670       5.916281      5.564889       4.811096      21.46030 8.740797 23.94667 8.263185 -2.486372      12.02837 
1 1 1 15 13 33 o 17.87898 5.639973 -1.562845      4.116813      0.7141194      6.662281      -3.839809      4.838017      21.01899 8.968592 14.73896 6.841164 6.280031       11.27995 
1 1 1 15 13 34 o 96.12961 3.011673 94.01155       5.795135      94.93254       9.606606      93.09056       6.480209      96.29650 4.988035 95.96271 3.376420 0.3337936      6.023347 
1 1 1 15 13 35 f 90.93410 3.071877 84.51830       5.516006      79.55913       8.976085      89.54830       6.419281      87.87327 5.107403 93.99494 3.414695 -6.121674      6.143754 
1 1 1 15 13 36 o 53.23795 8.000415 35.43676       9.139028      44.61829       17.67587      26.24814       4.625482      56.06392 15.32905 50.41198 4.587681 5.651936       16.00083 
1 1 1 15 13 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 13 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 13 39 o 27.35330 6.762080 10.26547       5.554262      23.69771       9.996255      -3.157570      4.850060      40.25999 11.71296 14.44662 6.760873 25.81337       13.52416 
1 1 1 15 13 40 o 60.49312 4.621219 43.33599       5.858188      53.93444       10.55593      32.73756       5.086684      65.93342 8.004993 55.05283 4.619821 10.88059       9.242438 
1 1 1 15 13 41 o 20.01216 6.361832 3.581932       5.347394      5.781674       8.706873      1.381481       6.206746      22.00295 9.787252 18.02136 8.130270 3.981586       12.72366 
1 1 1 15 14 0  o 419.5180 5.651937 1761.920       47.40251      1761.920       47.40251      1761.920       47.40251      419.5180 5.651937 419.5180 5.651937 0.000000       0.000000 
1 1 1 15 14 1  o 182.2763 2.459937 332.5473       8.969000      345.1577       12.87257      319.8660       12.49000      185.7440 3.465137 178.8087 3.492562 6.935349       4.919874 
1 1 1 15 14 2  o 384.2787 3.232635 1477.830       24.84540      1480.664       35.19589      1474.997       35.07545      384.6469 4.575090 383.9105 4.568181 0.7364197      6.465271 
1 1 1 15 14 3  o 108.1734 2.779055 117.1071       6.010505      113.7065       8.451830      120.5076       8.551013      106.6020 3.964199 109.7449 3.895859 -3.142906      5.558111 
1 1 1 15 14 4  o 77.84389 3.387969 60.97644       5.232625      52.07121       7.396237      69.88168       7.403321      72.12399 5.127446 83.56379 4.429743 -11.43980      6.775937 
1 1 1 15 14 5  o 250.6388 2.556807 628.5384       12.81589      634.3477       18.29222      622.7291       17.95925      251.7965 3.632344 249.4811 3.599322 2.315414       5.113613 
1 1 1 15 14 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 14 7  o 279.7368 2.650130 782.8392       14.83498      759.4603       20.47426      806.9266       21.46609      275.4989 3.715851 283.9748 3.779577 -8.475861      5.300259 
1 1 1 15 14 8  o 183.1015 2.326739 335.5936       8.522675      322.4164       11.76738      348.7000       12.33415      179.5150 3.277550 186.6880 3.303412 -7.173004      4.653479 
1 1 1 15 14 9  o 255.8925 2.508252 655.2470       12.83715      661.2689       18.24263      649.1544       18.06552      257.0753 3.548111 254.7097 3.546297 2.365631       5.016504 
1 1 1 15 14 10 o 246.2680 2.545780 606.8598       12.53960      607.1432       19.92875      606.5764       15.22463      246.3053 4.045538 246.2308 3.091536 0.7447815E-01  5.091559 
1 1 1 15 14 11 o 298.7460 2.912428 893.3577       17.42792      908.2352       26.87866      878.4802       22.18871      301.2104 4.461775 296.2815 3.744531 4.928894       5.824856 
1 1 1 15 14 12 o 41.76407 5.017501 17.86007       4.015504      16.11019       6.462497      19.60995       4.766464      39.28625 8.466607 44.24190 5.386821 -4.955650      10.03500 
1 1 1 15 14 13 o 176.8615 2.357665 313.1357       8.352647      316.5363       13.38265      309.6643       9.996255      177.8095 3.763200 175.9135 2.841242 1.896011       4.715329 
1 1 1 15 14 14 o 380.7815 3.271931 1453.035       24.86666      1428.239       39.04986      1477.830       30.78931      377.4344 5.173066 384.1286 4.007683 -6.694214      6.543862 
1 1 1 15 14 15 o 73.11581 3.729123 54.22490       5.369356      65.75850       7.672533      42.69839       7.516674      80.99852 4.736218 65.23310 5.761395 15.76542       7.458246 
1 1 1 15 14 16 o 81.86687 2.918914 67.19666       4.811096      70.73183       7.729208      63.66148       5.730666      84.00304 4.600553 79.73069 3.593765 4.272354       5.837827 
1 1 1 15 14 17 o 152.0193 2.337080 231.3804       7.098687      229.0425       11.25021      233.7891       8.650196      151.2124 3.720003 152.8261 2.830078 -1.613678      4.674159 
1 1 1 15 14 18 o 185.2922 2.879312 344.0950       10.70471      350.1877       18.05135      338.0732       11.51943      186.8387 4.830731 183.7457 3.134611 3.092972       5.758624 
1 1 1 15 14 19 o 234.1754 2.602581 549.6169       12.22079      565.6279       18.98651      533.6768       15.39466      237.5353 3.996566 230.8155 3.334841 6.719818       5.205161 
1 1 1 15 14 20 o 27.10183 6.606892 6.957705       4.433491      8.898154       7.332476      5.018672       4.983250      30.42286 10.20862 23.78079 8.389767 6.642069       13.21378 
1 1 1 15 14 21 o 103.8507 2.886406 108.3931       6.052303      114.9817       9.946663      101.7337       6.893944      106.9706 4.649253 100.7309 3.421960 6.239632       5.772813 
1 1 1 15 14 22 o 66.40166 3.909102 44.55453       5.241126      49.58454       8.295970      39.52452       6.408655      70.12763 5.914908 62.67569 5.112552 7.451939       7.818205 
1 1 1 15 14 23 o 120.2346 2.757874 145.1618       6.624732      144.6659       11.15103      145.6577       7.155363      119.9249 4.649174 120.5443 2.967939 -0.6194382     5.515749 
1 1 1 15 14 24 f 68.19730 3.653309 47.23248       4.773548      38.93651       7.842561      55.52136       5.449411      62.03063 6.321524 74.36396 3.664013 -12.33333      7.306617 
1 1 1 15 14 25 o 56.71803 4.156163 32.58170       4.625482      29.68413       7.594603      35.48635       5.277257      54.05449 7.024951 59.38157 4.443514 -5.327076      8.312325 
1 1 1 15 14 26 o 79.75040 2.972469 64.01571       4.763630      66.82825       7.580434      61.20315       5.775299      81.44958 4.653452 78.05122 3.699685 3.398354       5.944938 
1 1 1 15 14 27 o 69.95688 3.271919 49.42160       4.608479      52.92134       7.254546      45.91476       5.683908      72.38908 5.010802 67.52467 4.208764 4.864410       6.543839 
1 1 1 15 14 28 o 83.19156 3.206233 69.86752       5.302053      65.22716       7.984251      74.52913       6.975416      80.34869 4.968502 86.03443 4.053851 -5.685745      6.412466 
1 1 1 15 14 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 14 30 o 72.15495 3.607255 52.80800       5.204287      52.80800       8.210957      52.80800       6.393777      72.02853 5.699794 72.28137 4.422839 -0.2528381     7.214510 
1 1 1 15 14 31 f 167.7687 2.776366 284.3017       9.287803      280.5469       14.96250      288.0565       11.02351      166.4007 4.495926 169.1368 3.258756 -2.736130      5.552732 
1 1 1 15 14 32 o 71.56268 3.618823 52.25541       5.202161      54.48702       8.253463      50.03086       6.335684      72.93379 5.658189 70.19157 4.513138 2.742226       7.237646 
1 1 1 15 14 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 14 34 o 60.33885 4.078062 37.78882       4.825974      34.49452       7.835476      41.08312       5.632192      57.26921 6.840915 63.40849 4.441197 -6.139275      8.156124 
1 1 1 15 14 35 o 72.25424 3.316116 53.82108       4.805429      56.11647       7.360813      51.51862       6.179825      73.65448 4.996854 70.85400 4.360957 2.800476       6.632232 
1 1 1 15 14 36 o 85.97035 3.126152 76.30025       5.407613      85.15590       8.338477      67.41627       6.886859      90.89440 4.586904 81.04631 4.248719 9.848091       6.252303 
1 1 1 15 14 37 o 43.35397 7.538473 28.28139       8.395153      17.34290       14.40283      39.21989       8.650196      30.01504 13.00433 56.69289 7.628996 -26.67785      15.07695 
1 1 1 15 14 38 o 61.01546 5.983979 43.88859       6.366147      36.11687       11.26438      51.66030       5.942493      51.77184 11.19588 70.25907 4.228987 -18.48723      11.96796 
1 1 1 15 14 39 o 21.60767 6.706632 3.931199       5.623690      9.705790       9.826226      -1.840558      5.472082      27.12458 11.19212 16.09075 7.392703 11.03383       13.41326 
1 1 1 15 14 40 o 22.06338 6.429163 5.396986       5.134858      5.379274       9.252379      5.415406       4.461121      22.93886 10.15891 21.18790 7.882453 1.750952       12.85833 
1 1 1 15 15 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 15 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 15 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 15 3  o 119.5413 2.725739 143.1781       6.511380      153.4507       9.330310      132.9055       9.082352      123.8369 3.767177 115.2457 3.940431 8.591217       5.451479 
1 1 1 15 15 4  o 419.9498 3.430417 1765.462       28.81273      1752.710       40.52344      1778.214       40.96976      418.4339 4.842275 421.4656 4.860392 -3.031738      6.860834 
1 1 1 15 15 5  o 306.2912 2.781351 938.6987       17.04535      908.9437       23.49226      969.1620       24.70371      301.3816 3.897429 311.2009 3.969095 -9.819336      5.562703 
1 1 1 15 15 6  o 153.5399 2.365521 235.9144       7.268716      229.3258       10.15211      242.5030       10.39299      151.3953 3.352850 155.6845 3.337836 -4.289246      4.731041 
1 1 1 15 15 7  o 118.3181 2.521531 140.1318       5.967289      145.7285       8.572267      134.5350       8.303054      120.6821 3.551590 115.9541 3.580319 4.727982       5.043062 
1 1 1 15 15 8  o 149.4948 2.679885 223.6582       8.012589      227.4130       11.59027      219.9034       11.07310      150.7483 3.844247 148.2413 3.734822 2.506912       5.359770 
1 1 1 15 15 9  o 289.0848 2.678605 836.6816       15.48676      840.2238       21.96909      832.4308       21.83448      289.7581 3.790937 288.4115 3.785300 1.346527       5.357210 
1 1 1 15 15 10 o 124.8847 2.418814 156.0719       6.040260      155.2218       8.480167      156.9221       8.607689      124.5450 3.404459 125.2245 3.436904 -0.6794510     4.837629 
1 1 1 15 15 11 o 212.5004 2.542488 451.9922       10.81806      444.6952       14.19737      459.3601       16.32273      210.7893 3.367670 214.2115 3.809957 -3.422226      5.084975 
1 1 1 15 15 12 o 112.2959 2.525512 126.3170       5.632900      120.4368       8.954830      132.1971       6.835143      109.6609 4.082966 114.9309 2.973587 -5.270081      5.051023 
1 1 1 15 15 13 o 233.7011 2.935872 547.1373       13.65895      536.2272       23.23013      558.0475       14.36740      231.2793 5.022096 236.1229 3.042357 -4.843628      5.871745 
1 1 1 15 15 14 o 460.4717 3.795922 2126.772       34.99752      2146.609       55.80475      2106.936       42.25206      462.4374 6.033762 458.5060 4.607580 3.931396       7.591843 
1 1 1 15 15 15 o 109.4173 2.670420 119.9409       5.828433      116.3986       8.883986      123.4832       7.545012      107.7843 4.121186 111.0502 3.397116 -3.265923      5.340840 
1 1 1 15 15 16 o 167.2306 2.470984 280.0510       8.267632      280.8303       12.68837      279.3425       10.59844      167.4303 3.789150 167.0308 3.172600 0.3995209      4.941968 
1 1 1 15 15 17 o 186.7785 2.822155 349.6209       10.55593      352.1006       17.49167      347.1414       11.81698      187.3668 4.667763 186.1902 3.173362 1.176575       5.644310 
1 1 1 15 15 18 o 45.10567 5.086957 20.63012       4.673656      23.76147       7.686701      17.49876       5.323307      48.51093 7.922649 41.70040 6.382801 6.810532       10.17391 
1 1 1 15 15 19 o 271.4824 3.164360 740.3321       17.04535      704.6970       27.36749      775.7547       20.32548      264.7925 5.167725 278.1723 3.653397 -13.37985      6.328719 
1 1 1 15 15 20 o 151.8660 2.691920 231.4512       8.253463      241.4404       14.15487      221.5329       8.487252      155.0262 4.565314 148.7058 2.853706 6.320419       5.383840 
1 1 1 15 15 21 o 118.8404 2.795106 141.8320       6.689910      146.7912       11.35648      136.8020       7.076725      120.8442 4.698811 116.8365 3.028473 4.007683       5.590212 
1 1 1 15 15 22 o 210.4281 2.464278 444.4118       10.43549      463.2566       16.88949      425.5670       12.24913      214.8009 3.931429 206.0552 2.972294 8.745728       4.928556 
1 1 1 15 15 23 o 40.94513 5.237190 17.32873       4.191200      17.36415       6.389527      17.28622       5.426032      40.57912 8.159872 41.31114 6.567276 -0.7320213     10.47438 
1 1 1 15 15 24 o 41.76358 5.232152 18.71021       4.022589      10.96683       6.259880      26.44650       5.054803      32.28891 9.228793 51.23824 4.932647 -18.94933      10.46430 
1 1 1 15 15 25 o 40.26669 5.219342 16.83282       4.078557      15.95433       6.476666      17.71129       4.958454      38.70745 8.592497 41.82593 5.927489 -3.118481      10.43868 
1 1 1 15 15 26 o 146.2264 2.466543 214.9443       7.162447      203.6090       11.22896      226.2795       8.891070      142.2747 3.946226 150.1781 2.960176 -7.903412      4.933086 
1 1 1 15 15 27 o 142.9438 2.838433 205.6635       8.104689      204.7426       13.05677      206.5137       9.613690      142.4994 4.581342 143.3882 3.352329 -0.8888702     5.676866 
1 1 1 15 15 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 15 29 o 64.67628 3.892118 42.54961       5.062596      44.50494       8.147196      40.58720       6.011921      66.03162 6.169162 63.32093 4.747184 2.710693       7.784235 
1 1 1 15 15 30 o 77.11700 3.554225 60.38135       5.477749      60.23257       8.692703      60.53012       6.665823      76.86742 5.654349 77.36659 4.307947 -0.4991760     7.108450 
1 1 1 15 15 31 o 130.4690 2.796744 172.4372       7.268716      158.1264       10.42841      186.6770       10.13086      124.9774 4.172118 135.9606 3.725660 -10.98319      5.593488 
1 1 1 15 15 32 o 121.9272 9.967824 162.0229       24.30698      162.0229       24.30698      ?              ?             121.9272 9.967824 ?        ?        ?              ?        
1 1 1 15 15 33 o 25.40313 6.308081 5.634317       4.318722      10.68345       6.343478      0.5878024      5.861730      31.09797 9.403310 19.70830 8.411022 11.38966       12.61616 
1 1 1 15 15 34 o 67.83299 3.556939 47.37417       4.815347      46.09896       7.212039      48.64938       6.380316      66.77173 5.400519 68.89426 4.630514 -2.122536      7.113878 
1 1 1 15 15 35 o 32.47478 6.014629 12.08619       4.172781      7.488335       6.101187      16.68404       5.693827      26.35450 9.284732 38.59507 7.648320 -12.24057      12.02926 
1 1 1 15 15 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 15 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 15 38 o 20.42964 5.862915 -2.208244      5.365814      -10.53468      9.804973      6.116064       4.366188      17.88496 8.685876 22.97432 7.877223 -5.089359      11.72583 
1 1 1 15 15 39 o 22.56017 6.517019 5.530175       5.335350      5.811430       9.826226      5.249628       4.155069      23.96424 10.55941 21.15611 7.641000 2.808132       13.03404 
1 1 1 15 15 40 o 27.85904 7.259503 12.90799       5.530175      14.80664       9.266549      11.00226       6.036717      28.56953 11.18043 27.14856 9.262803 1.420971       14.51901 
1 1 1 15 16 0  o 86.11405 4.300798 74.74166       7.367898      74.74166       7.367898      74.74166       7.367898      86.11405 4.300798 86.11405 4.300798 0.000000       0.000000 
1 1 1 15 16 1  o 490.1918 3.867821 2406.611       37.91634      2410.153       53.72898      2402.360       53.52353      490.5880 5.475978 489.7957 5.463863 0.7922974      7.735641 
1 1 1 15 16 2  f 63.56778 3.724741 40.52344       4.723957      37.34958       6.690619      43.69731       6.670782      61.07122 5.477718 66.06435 5.048700 -4.993126      7.449481 
1 1 1 15 16 3  o 359.0678 3.068267 1290.091       22.03285      1293.633       31.22147      1287.257       31.10103      359.5111 4.342212 358.6245 4.336156 0.8866577      6.136534 
1 1 1 15 16 4  o 384.2805 3.205876 1477.830       24.63995      1465.787       34.62204      1490.583       35.06836      382.6698 4.523749 385.8912 4.543815 -3.221436      6.411752 
1 1 1 15 16 5  o 161.6414 2.346150 261.4187       7.587519      260.9936       10.80389      261.8438       10.64803      161.5092 3.344666 161.7735 3.291031 -0.2642212     4.692300 
1 1 1 15 16 6  o 221.9394 2.433071 492.9407       10.80389      505.1970       15.55760      480.6845       14.99084      224.6981 3.461890 219.1806 3.419745 5.517441       4.866143 
1 1 1 15 16 7  o 504.0880 3.953155 2545.467       39.85749      2580.181       57.07996      2510.753       55.64889      507.5204 5.623415 500.6555 5.557602 6.864868       7.906310 
1 1 1 15 16 8  o 223.8794 2.430583 501.5839       10.88182      500.1670       15.33798      503.0008       15.44425      223.5636 3.430341 224.1953 3.444374 -0.6317596     4.861167 
1 1 1 15 16 9  o 268.3519 2.586383 720.4955       13.87857      714.1194       19.47534      727.5800       19.78706      267.1000 3.645702 269.6038 3.669655 -2.503845      5.172766 
1 1 1 15 16 10 o 398.8213 3.294024 1594.017       26.27648      1576.305       36.81824      1611.019       37.49835      396.6522 4.641124 400.9904 4.675717 -4.338196      6.588047 
1 1 1 15 16 11 o 54.03295 3.923280 29.36533       4.230875      26.17729       5.852520      32.56044       6.111105      51.08303 5.728438 56.98286 5.362231 -5.899826      7.846561 
1 1 1 15 16 12 o 186.8637 2.507172 349.6918       9.386987      340.0569       12.17120      359.3267       14.29656      184.3047 3.301924 189.4227 3.773718 -5.118057      5.014345 
1 1 1 15 16 13 f 112.6921 3.304710 127.3088       7.424574      124.4750       11.76030      130.1426       9.068183      111.4013 5.278350 113.9829 3.977869 -2.581650      6.609419 
1 1 1 15 16 14 o 108.2908 3.251188 117.7447       7.098687      127.0254       11.28564      108.4640       8.614774      112.5399 5.014059 104.0416 4.140060 8.498299       6.502375 
1 1 1 15 16 15 o 108.3589 3.104711 117.9572       6.831601      127.9464       11.49109      107.8972       7.389152      112.9278 5.087802 103.7901 3.559663 9.137764       6.209423 
1 1 1 15 16 16 o 260.8651 3.042607 682.3807       15.77014      662.2607       26.43942      702.5008       17.20121      256.8754 5.146352 264.8547 3.247292 -7.979370      6.085215 
1 1 1 15 16 17 o 22.74179 6.372072 2.898276       4.441284      2.844434       7.580434      2.952827       4.624773      24.72099 9.961655 20.76260 7.948500 3.958385       12.74414 
1 1 1 15 16 18 o 63.10041 3.763426 40.79265       4.471748      29.65579       7.011548      51.92951       5.551428      54.24096 6.463333 71.95986 3.857309 -17.71890      7.526852 
1 1 1 15 16 19 o 110.7519 2.595185 123.0581       5.775299      126.9546       9.386987      119.1616       6.729583      112.4575 4.173569 109.0463 3.085654 3.411217       5.190370 
1 1 1 15 16 20 o 36.91749 5.395525 14.78539       4.099102      21.67154       6.793344      7.899237       4.588642      46.26068 7.342460 27.57430 7.907909 18.68638       10.79105 
1 1 1 15 16 21 o 170.7400 2.416930 292.3781       8.274716      296.9830       13.31181      287.8440       9.819141      172.0024 3.869658 169.4776 2.896885 2.524796       4.833859 
1 1 1 15 16 22 o 91.22632 2.801521 84.09322       5.209954      97.19958       8.572267      71.05771       5.922657      98.31197 4.359727 84.14067 3.519497 14.17130       5.603042 
1 1 1 15 16 23 o 99.51424 2.819389 99.46662       5.601728      97.83719       8.643111      101.1669       7.127024      98.63338 4.381433 100.3951 3.549489 -1.761711      5.638779 
1 1 1 15 16 24 o 62.82153 3.845731 39.92834       4.761505      37.21497       7.835476      42.63463       5.413989      60.54997 6.470256 65.09309 4.158651 -4.543114      7.691463 
1 1 1 15 16 25 o 93.60448 3.095858 88.27309       5.731375      83.45561       9.401155      93.09056       6.561680      90.92374 5.169803 96.28523 3.407418 -5.361496      6.191717 
1 1 1 15 16 26 o 172.3386 2.739908 298.9666       9.344479      283.5224       15.29548      314.3401       10.75430      167.7002 4.560363 176.9770 3.038332 -9.276794      5.479815 
1 1 1 15 16 27 o 78.31671 3.944257 62.25166       6.182659      62.97428       9.705790      61.52195       7.665448      78.64541 6.170601 77.98801 4.914504 0.6573944      7.888515 
1 1 1 15 16 28 o 23.30139 6.542354 1.927697       4.905321      -2.707703      7.318307      6.563805       6.534050      19.87445 8.902861 26.72833 9.588987 -6.853882      13.08471 
1 1 1 15 16 29 o 104.4125 2.899109 110.0934       6.065764      113.5648       9.188620      106.6220       7.920490      106.0008 4.334222 102.8241 3.851475 3.176659       5.798218 
1 1 1 15 16 30 o 140.6992 2.622658 199.8542       7.389152      202.7589       11.37774      196.8788       9.429493      141.6221 4.016935 139.7763 3.373066 1.845840       5.245316 
1 1 1 15 16 31 o 47.92238 5.118880 24.34240       4.662321      20.65137       7.105771      28.02635       6.037426      43.59152 8.452044 52.25324 5.777082 -8.661720      10.23776 
1 1 1 15 16 32 o 92.11395 4.230187 88.06055       7.736294      79.84251       11.34231      96.34944       10.52051      87.51028 6.480560 96.71762 5.438776 -9.207344      8.460375 
1 1 1 15 16 33 o 27.29396 6.368849 7.913406       4.089892      6.942828       6.147236      8.883986       5.396986      26.21068 9.311019 28.37725 8.692173 -2.166567      12.73770 
1 1 1 15 16 34 o 25.55798 6.166394 6.580809       3.990001      3.248960       5.751212      9.911241       5.530883      21.60681 8.689246 29.50916 8.751838 -7.902349      12.33279 
1 1 1 15 16 35 o 36.83929 6.057607 15.86224       4.463954      20.68679       6.930784      11.04476       5.626524      42.70666 8.414068 30.97194 8.716759 11.73472       12.11521 
1 1 1 15 16 36 o 40.27277 5.778089 20.37507       4.522757      24.26447       6.876941      16.48567       5.877316      44.38187 8.043330 36.16367 8.297595 8.218201       11.55618 
1 1 1 15 16 37 o 20.20025 5.795081 2.857894       3.806511      1.097392       5.989960      4.619106       4.697744      19.13682 8.339854 21.26367 8.048519 -2.126846      11.59016 
1 1 1 15 16 38 o 20.15220 6.106078 1.092433       5.146194      -1.930531      9.280719      4.114688       4.456870      20.20689 9.416083 20.09751 7.776512 0.1093864      12.21216 
1 1 1 15 16 39 o 27.17125 5.972966 7.970083       5.051970      2.809011       9.110690      13.12761       4.375398      21.50402 9.763834 32.83847 6.882793 -11.33445      11.94593 
1 1 1 15 17 0  f 68.42564 5.037145 47.60796       6.818849      47.60796       6.818849      47.60796       6.818849      68.42564 5.037145 68.42564 5.037145 0.000000       0.000000 
1 1 1 15 17 1  o 141.5806 2.414845 200.6335       6.839394      205.1676       9.790804      196.0286       9.549930      143.1932 3.418739 139.9679 3.411472 3.225342       4.829691 
1 1 1 15 17 2  o 283.2063 2.685564 802.6758       15.21046      798.4252       21.45192      806.9266       21.57236      282.4565 3.797385 283.9561 3.798537 -1.499664      5.371129 
1 1 1 15 17 3  o 338.4016 2.959929 1146.275       20.02793      1136.357       28.14679      1156.193       28.51518      336.9382 4.176847 339.8649 4.195076 -2.926727      5.919858 
1 1 1 15 17 4  o 116.3094 2.558089 135.4560       5.950287      129.0799       8.303054      141.8320       8.522675      113.5696 3.655493 119.0492 3.579475 -5.479675      5.116177 
1 1 1 15 17 5  o 253.1385 2.542393 641.3614       12.87257      652.7675       18.44808      629.9553       17.95925      255.3887 3.611766 250.8884 3.579132 4.500351       5.084785 
1 1 1 15 17 6  o 162.4759 2.356643 264.2525       7.658363      256.1762       10.73304      272.3289       10.92433      159.9916 3.354252 164.9602 3.311201 -4.968552      4.713285 
1 1 1 15 17 7  o 102.6955 2.651401 105.6302       5.445160      107.7555       7.736294      103.4340       7.665448      103.7470 3.728442 101.6440 3.770733 2.102997       5.302802 
1 1 1 15 17 8  o 122.2229 2.675240 149.6250       6.553887      144.3825       8.536844      154.8676       9.946663      120.0904 3.554341 124.3555 3.999285 -4.265129      5.350479 
1 1 1 15 17 9  o 181.1460 2.709047 328.7924       9.819141      313.0648       13.60227      344.5201       14.15487      176.8099 3.846581 185.4820 3.815698 -8.672073      5.418093 
1 1 1 15 17 10 o 143.6775 2.949557 206.9388       8.508506      196.0286       10.84640      217.8489       13.11344      139.9045 3.876358 147.4505 4.446728 -7.545959      5.899114 
1 1 1 15 17 11 o 65.31138 4.015849 42.80466       5.241126      42.03244       7.729208      43.57687       7.079559      64.71046 5.972148 65.91229 5.370439 -1.201828      8.031697 
1 1 1 15 17 12 o 236.2102 2.861042 559.2518       13.51726      536.5814       18.75980      581.8514       19.46825      231.4270 4.053071 240.9934 4.039168 -9.566345      5.722085 
1 1 1 15 17 13 o 68.29221 3.597293 46.79324       4.903903      45.58887       7.431659      47.99761       6.395903      67.39440 5.513558 69.19000 4.621984 -1.795601      7.194586 
1 1 1 15 17 14 o 127.6215 2.491636 163.2273       6.361189      155.5760       8.791886      170.8786       9.195704      124.6285 3.527237 130.6145 3.520171 -5.985939      4.983273 
1 1 1 15 17 15 o 50.74941 3.810429 25.86557       3.868855      26.01435       5.776008      25.70972       5.148319      50.88742 5.675280 50.61140 5.086127 0.2760277      7.620859 
1 1 1 15 17 16 o 170.3430 2.411891 290.7486       8.239295      295.8494       13.17720      285.6478       9.882903      171.7943 3.835170 168.8918 2.925808 2.902405       4.823783 
1 1 1 15 17 17 o 114.9865 2.590075 132.5513       5.976499      135.5977       9.670367      129.5758       7.022882      116.2484 4.159357 113.7246 3.087672 2.523788       5.180151 
1 1 1 15 17 18 o 93.65717 2.808994 88.06055       5.302762      92.94887       8.621859      83.24309       6.174158      96.19379 4.481504 91.12055 3.387906 5.073242       5.617988 
1 1 1 15 17 19 o 104.4541 2.714836 109.5975       5.611646      102.4421       8.926493      116.7529       6.807514      100.9821 4.419840 107.9261 3.153784 -6.944054      5.429672 
1 1 1 15 17 20 o 143.6723 2.511355 207.2222       7.155363      195.1076       11.31397      219.4075       8.756464      139.3867 4.058486 147.9580 2.959105 -8.571304      5.022709 
1 1 1 15 17 21 o 38.73692 5.870150 15.57885       4.544718      15.28839       7.630026      15.87640       4.940743      37.85695 9.947425 39.61688 6.235653 -1.759926      11.74030 
1 1 1 15 17 22 o 122.1593 2.921633 150.0501       7.098687      145.0909       11.38482      154.9384       8.487252      120.0574 4.741408 124.2613 3.415083 -4.203918      5.843265 
1 1 1 15 17 23 o 97.94357 3.158610 96.70367       6.247128      103.5048       10.21588      89.97337       7.197870      101.2775 5.043509 94.60968 3.803982 6.667778       6.317219 
1 1 1 15 17 24 o 51.68637 4.770098 27.56586       5.010171      34.42367       8.111773      20.71513       5.886526      58.18743 6.970383 45.18531 6.513761 13.00212       9.540195 
1 1 1 15 17 25 o 125.4673 2.792260 158.4098       7.020049      162.0229       10.86765      154.7967       8.891070      126.8305 4.284321 124.1040 3.582103 2.726440       5.584521 
1 1 1 15 17 26 o 80.76456 3.681899 66.52362       6.003421      78.07139       9.443663      54.96169       7.417490      87.80179 5.377831 73.72733 5.030353 14.07446       7.363797 
1 1 1 15 17 27 o 45.00727 7.130576 22.23830       6.275465      20.26880       8.593520      24.20780       9.146112      42.96163 10.15030 47.05291 10.01758 -4.091274      14.26115 
1 1 1 15 17 28 o 21.10984 6.164237 0.7523757      4.466080      -2.078598      7.148279      3.583349       5.360146      20.02416 8.890928 22.19551 8.540648 -2.171352      12.32847 
1 1 1 15 17 29 o 128.9536 2.641125 167.9031       6.753671      157.5597       10.52759      178.3173       8.465999      124.8065 4.217566 133.1006 3.180300 -8.294121      5.282251 
1 1 1 15 17 30 o 37.08648 5.956844 14.70037       4.450494      12.19954       7.042011      17.20121       5.444452      33.36872 9.870563 40.80424 6.671430 -7.435516      11.91369 
1 1 1 15 17 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 17 32 o 116.8206 2.671447 138.5023       6.214540      134.1808       9.769550      142.7530       7.679617      114.7885 4.255456 118.8527 3.230728 -4.064209      5.342894 
1 1 1 15 17 33 f 24.50762 6.210573 5.017255       4.203244      1.035048       6.334267      8.997337       5.527341      20.54136 8.754286 28.47389 8.811773 -7.932531      12.42115 
1 1 1 15 17 34 o 34.55789 6.118894 13.75813       4.226623      13.74396       6.199661      13.77939       5.746961      34.41519 8.931450 34.70059 8.366159 -0.2854004     12.23779 
1 1 1 15 17 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 17 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 17 37 f 27.83536 5.973123 9.606606       3.664113      9.316141       5.676824      9.889987       4.633983      27.18811 8.982439 28.48260 7.875823 -1.294495      11.94625 
1 1 1 15 17 38 o 28.77187 5.792496 11.10852       3.752669      16.81865       5.955245      5.404070       4.568805      36.09001 8.400324 21.45373 7.977882 14.63628       11.58499 
1 1 1 15 17 39 o 21.08114 5.966841 3.421114       4.875566      -0.1549384     8.749379      6.996669       4.306678      19.22293 9.011225 22.93936 7.823720 -3.716431      11.93368 
1 1 1 15 18 0  o 431.8521 4.977931 1867.479       42.98177      1867.479       42.98177      1867.479       42.98177      431.8521 4.977931 431.8521 4.977931 0.000000       0.000000 
1 1 1 15 18 1  o 352.8017 3.057065 1246.875       21.57236      1235.540       30.27214      1257.502       30.73972      351.2494 4.309210 354.3541 4.337431 -3.104675      6.114131 
1 1 1 15 18 2  o 153.2799 2.421302 235.2060       7.424574      243.5657       10.60552      226.9171       10.38590      155.9938 3.399342 150.5660 3.448953 5.427780       4.842603 
1 1 1 15 18 3  o 39.47188 5.588133 16.88241       4.468206      6.027507       6.196828      27.74297       6.439827      26.35484 9.349881 52.58892 6.122798 -26.23408      11.17627 
1 1 1 15 18 4  o 143.1986 2.625830 205.3093       7.523758      205.8052       11.27855      204.8134       9.953747      143.3609 3.933622 143.0364 3.479447 0.3245697      5.251660 
1 1 1 15 18 5  o 124.0165 2.891167 154.0883       7.169532      151.2545       10.03876      156.8512       10.24421      122.8902 4.084442 125.1428 4.093009 -2.252556      5.782335 
1 1 1 15 18 6  o 153.3714 2.774179 235.7727       8.501422      221.0369       11.92324      250.5794       12.12161      148.5578 4.012998 158.1851 3.831465 -9.627258      5.548358 
1 1 1 15 18 7  o 78.64967 3.512947 62.01078       5.525924      61.35192       7.828392      62.66964       7.800055      78.23046 5.003417 79.06887 4.932443 -0.8384094     7.025893 
1 1 1 15 18 8  o 109.9890 2.954758 121.2161       6.500045      124.6167       9.323226      117.8155       9.061099      111.5321 4.179615 108.4460 4.177701 3.086128       5.909515 
1 1 1 15 18 9  o 155.0142 2.746819 240.7319       8.515590      236.9063       12.14286      244.4867       11.93741      153.7895 3.947884 156.2389 3.820245 -2.449341      5.493638 
1 1 1 15 18 10 o 150.0924 2.402927 225.9961       7.212039      244.6992       10.48509      207.2222       9.904156      156.3291 3.353529 143.8556 3.442394 12.47351       4.805854 
1 1 1 15 18 11 o 143.5622 2.619408 206.4428       7.516674      206.3720       11.44858      206.5137       9.755382      143.5186 3.988534 143.6058 3.396584 -0.8712769E-01 5.238816 
1 1 1 15 18 12 o 110.2438 2.843943 121.7829       6.251379      118.0281       9.528677      125.6085       8.097604      108.5064 4.390834 111.9812 3.615608 -3.474770      5.687886 
1 1 1 15 18 13 o 116.2204 2.549590 135.3143       5.926908      136.1644       8.473083      134.4642       8.288886      116.5839 3.633899 115.8570 3.577207 0.7269440      5.099179 
1 1 1 15 18 14 o 52.33088 4.152537 27.55169       4.342101      29.02527       6.164238      26.07102       6.117482      53.74117 5.735118 50.92059 6.006884 2.820580       8.305074 
1 1 1 15 18 15 o 56.95193 3.883803 32.97843       4.329349      39.99919       6.004838      25.96476       6.237210      63.11812 4.756825 50.78574 6.140710 12.33239       7.767606 
1 1 1 15 18 16 o 28.32558 6.163118 7.892153       3.999210      4.536217       5.670448      11.25021       5.641402      23.95758 8.892024 32.69358 8.536276 -8.735998      12.32624 
1 1 1 15 18 17 o 40.29013 5.587523 16.78322       4.424282      16.59903       7.268716      16.96033       5.049844      39.57479 9.325583 41.00546 6.157526 -1.430668      11.17505 
1 1 1 15 18 18 o 109.4014 3.033498 120.2951       6.543969      112.3605       10.86057      128.3006       7.297054      105.6716 5.138828 113.1312 3.225041 -7.459557      6.066996 
1 1 1 15 18 19 o 120.9585 2.959504 147.4288       7.275800      163.4398       12.08619      131.4178       8.111773      127.4680 4.740873 114.4490 3.543837 13.01893       5.919008 
1 1 1 15 18 20 o 57.70197 4.713558 34.29615       5.120689      25.40508       8.125941      43.18014       6.227999      49.91273 8.140150 65.49120 4.754837 -15.57846      9.427116 
1 1 1 15 18 21 o 68.21812 4.728380 47.17580       6.512089      49.32241       11.28564      45.03628       6.500753      69.55933 8.112239 66.87693 4.860236 2.682396       9.456760 
1 1 1 15 18 22 o 48.73666 5.400403 25.51843       4.961997      35.13921       7.360813      15.89766       6.652362      58.86920 6.251838 38.60411 8.807493 20.26509       10.80081 
1 1 1 15 18 23 o 44.51863 5.394404 20.53802       4.663030      19.68787       7.148279      21.38816       5.990668      43.12175 8.593098 45.91551 6.523578 -2.793766      10.78881 
1 1 1 15 18 24 o 104.6006 2.913840 110.2351       6.128108      114.8400       9.847479      105.5593       7.297054      106.7155 4.613893 102.4857 3.560034 4.229774       5.827680 
1 1 1 15 18 25 o 189.6329 3.207280 0.000000       0.000000      ?              ?             361.1687       12.16412      ?        ?        189.6329 3.207280 ?              ?        
1 1 1 15 18 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 18 27 o 58.49540 4.245001 35.16755       5.021506      41.40192       7.962997      28.94025       6.123857      63.67074 6.253263 53.32005 5.742547 10.35069       8.490003 
1 1 1 15 18 28 o 26.36592 6.486920 6.271924       4.372564      4.091309       6.857105      8.451830       5.426032      24.42034 9.602355 28.31150 8.724408 -3.891157      12.97384 
1 1 1 15 18 29 o 75.13819 3.428384 58.00095       5.234750      69.54871       8.451830      46.45318       6.179117      82.62409 5.114628 67.65229 4.566820 14.97180       6.856768 
1 1 1 15 18 30 o 51.44195 10.46019 32.63129       11.71779      32.00077       19.17071      33.26889       13.48892      49.95490 16.50671 52.92900 12.85266 -2.974106      20.92039 
1 1 1 15 18 31 o 23.97242 6.419520 4.968372       4.256378      6.132358       6.674324      3.804386       5.282925      25.91388 9.641302 22.03096 8.478576 3.882917       12.83904 
1 1 1 15 18 32 o 70.44533 3.502015 51.13605       4.870606      46.21231       7.474166      56.05270       6.242877      66.77961 5.596145 74.11105 4.211840 -7.331444      7.004029 
1 1 1 15 18 33 o 48.54697 4.672765 25.16421       4.528424      25.15712       7.098687      25.17129       5.624399      48.16409 7.369274 48.92984 5.747412 -0.7657547     9.345531 
1 1 1 15 18 34 o 25.12351 6.888250 6.718248       4.955620      6.539719       7.339560      6.896778       6.662989      25.11669 9.915930 25.13033 9.563802 -0.1363945E-01 13.77650 
1 1 1 15 18 35 o 95.80947 3.013672 95.49931       5.749086      91.39028       8.671450      99.60831       7.552096      93.40372 4.641919 98.21523 3.844667 -4.811508      6.027344 
1 1 1 15 18 36 o 23.43787 6.107363 5.919823       3.846185      4.612021       5.766797      7.226208       5.091643      22.07620 8.766111 24.79953 8.506163 -2.723326      12.21473 
1 1 1 15 18 37 o 22.55029 5.839640 5.749794       3.688909      10.34340       5.788759      1.157610       4.575181      28.03243 9.067387 17.06815 7.361257 10.96428       11.67928 
1 1 1 15 18 38 o 54.79778 3.773199 33.54519       4.130274      34.14738       6.547511      32.94301       5.034966      54.52328 6.004326 55.07228 4.571235 -0.5489998     7.546398 
1 1 1 15 19 0  o 69.91936 5.928371 50.01670       8.175533      50.01670       8.175533      50.01670       8.175533      69.91936 5.928371 69.91936 5.928371 0.000000       0.000000 
1 1 1 15 19 1  o 135.1758 3.355184 183.3473       8.990252      196.0286       11.40607      170.6660       13.90691      139.8954 4.076643 130.4562 5.330105 9.439163       6.710369 
1 1 1 15 19 2  o 113.9544 3.046921 130.1426       6.943536      127.6630       9.826226      132.5513       9.812057      112.8818 4.352440 115.0270 4.265111 -2.145157      6.093842 
1 1 1 15 19 3  f 175.7996 3.117622 309.6643       10.96683      307.1139       13.98484      312.2147       16.90366      175.1064 3.993240 176.4928 4.788768 -1.386353      6.235244 
1 1 1 15 19 4  o 208.4207 2.814447 435.1311       11.73196      443.1366       16.90366      427.1255       16.28022      210.3349 4.018273 206.5065 3.941818 3.828384       5.628894 
1 1 1 15 19 5  o 223.6056 2.872911 500.9463       12.85132      516.8864       18.64645      485.0770       17.69713      227.1520 4.104400 220.0592 4.020992 7.092758       5.745822 
1 1 1 15 19 6  o 177.5124 2.402292 315.5444       8.529759      311.5771       11.99409      319.4409       12.12869      176.4061 3.399568 178.6186 3.395137 -2.212555      4.804583 
1 1 1 15 19 7  o 75.62212 3.234244 57.48378       4.876983      51.35567       6.806805      63.61189       6.987460      71.57262 4.755174 79.67162 4.385163 -8.098991      6.468488 
1 1 1 15 19 8  o 231.3046 2.500929 535.8021       11.56902      534.7394       16.27314      536.8647       16.45025      231.0767 3.521155 231.5325 3.552471 -0.4557953     5.001858 
1 1 1 15 19 9  o 46.12957 4.734208 21.42358       4.361938      19.80831       6.098353      23.04594       6.238626      44.37782 6.870946 47.88132 6.514676 -3.503502      9.468416 
1 1 1 15 19 10 o 195.0190 2.413374 380.9345       9.415324      382.7765       13.28347      379.0217       13.34015      195.5010 3.397290 194.5371 3.428690 0.9639282      4.826748 
1 1 1 15 19 11 o 61.70544 3.689222 38.22806       4.552511      39.51744       6.495085      36.93867       6.380316      62.74818 5.175517 60.66270 5.258847 2.085487       7.378445 
1 1 1 15 19 12 o 117.7011 2.787291 138.8566       6.565931      139.9901       10.10961      137.7230       8.380984      118.1575 4.278021 117.2447 3.574142 0.9128113      5.574582 
1 1 1 15 19 13 o 301.4174 3.049956 911.0690       18.36307      925.9465       24.34949      896.9000       27.50210      303.8836 4.006383 298.9513 4.599763 4.932373       6.099912 
1 1 1 15 19 14 o 207.7868 2.611088 432.9349       10.85348      432.9349       16.13853      432.8640       14.50909      207.7661 3.883823 207.8075 3.490993 -0.4142761E-01 5.222175 
1 1 1 15 19 15 o 29.10692 6.480148 8.345562       4.310929      6.125983       6.327183      10.56302       5.857479      26.44732 9.441166 31.76652 8.878834 -5.319199      12.96030 
1 1 1 15 19 16 o 75.11130 3.650786 57.05162       5.500420      48.98236       7.183701      65.12797       8.331393      69.77198 5.147985 80.45062 5.177955 -10.67864      7.301572 
1 1 1 15 19 17 o 88.76009 3.341481 79.20491       5.933284      78.70899       7.892153      79.70082       8.862731      88.50810 4.458435 89.01208 4.978387 -0.5039749     6.682962 
1 1 1 15 19 18 o 57.97565 3.749095 33.88525       4.346352      35.07545       6.199661      32.68797       6.093394      59.00130 5.253834 56.95000 5.349775 2.051304       7.498190 
1 1 1 15 19 19 o 72.98456 3.710027 53.70773       5.404778      52.99219       8.437660      54.42327       6.760755      72.42906 5.824776 73.54005 4.596649 -1.110985      7.420053 
1 1 1 15 19 20 o 77.39374 3.413316 60.32467       5.302762      61.94702       8.529759      58.70232       6.298845      78.36251 5.442500 76.42496 4.120934 1.937553       6.826632 
1 1 1 15 19 21 o 79.16672 3.789930 63.35685       5.916989      59.81459       9.975000      66.90618       6.368274      76.76012 6.497516 81.57331 3.903405 -4.813194      7.579860 
1 1 1 15 19 22 o 126.9357 2.704091 162.0229       6.906697      169.4617       11.14395      154.5842       8.161365      129.7688 4.293771 124.1025 3.288154 5.666237       5.408181 
1 1 1 15 19 23 o 45.12224 5.301480 21.49443       4.786300      27.28248       7.814223      15.69929       5.530175      51.65181 7.564327 38.59267 7.429922 13.05914       10.60296 
1 1 1 15 19 24 o 50.68759 4.986238 26.36857       5.134858      30.20130       8.359732      22.54293       5.968707      54.28862 7.699340 47.08656 6.338016 7.202065       9.972476 
1 1 1 15 19 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 19 26 o 127.0578 2.894980 162.9439       7.318307      157.4888       11.64695      168.3990       8.862731      124.7585 4.667796 129.3570 3.425686 -4.598503      5.789960 
1 1 1 15 19 27 o 72.83060 3.640933 53.89901       5.280091      52.34750       8.303054      55.45761       6.526966      71.62602 5.796116 74.03518 4.408017 -2.409157      7.281866 
1 1 1 15 19 28 f 88.31795 3.113816 79.06322       5.485542      77.78800       8.643111      80.33842       6.760046      87.45210 4.941626 89.18380 3.789953 -1.731705      6.227633 
1 1 1 15 19 29 o 109.9942 2.902737 122.7038       6.359772      119.7992       10.10961      125.6085       7.722124      108.4713 4.660038 111.5170 3.462307 -3.045753      5.805474 
1 1 1 15 19 30 o 63.50731 4.062584 41.64988       5.125648      40.18338       8.140111      43.11637       6.233667      62.08635 6.555476 64.92828 4.800426 -2.841930      8.125168 
1 1 1 15 19 31 o 49.20550 4.649982 25.48301       4.614146      27.94134       7.311223      23.02468       5.633609      51.38656 7.113944 47.02443 5.990087 4.362129       9.299965 
1 1 1 15 19 32 o 44.21766 5.410002 21.45900       4.625482      20.76472       7.382068      22.16037       5.571973      42.55857 8.955112 45.87674 6.072765 -3.318172      10.82000 
1 1 1 15 19 33 o 86.92532 3.467242 78.28393       6.054429      81.18858       9.925409      75.30843       6.935034      88.08733 5.633846 85.76330 4.043125 2.324036       6.934485 
1 1 1 15 19 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 19 35 o 38.34944 5.498293 18.34182       4.273381      28.09011       6.425658      8.586436       5.636442      50.28990 6.388617 26.40897 8.950447 23.88093       10.99659 
1 1 1 15 19 36 o 36.76830 5.504328 16.39357       3.928365      16.03935       5.849687      16.74780       5.244668      35.90748 8.304519 37.62911 7.226720 -1.721626      11.00866 
1 1 1 15 19 37 o 20.01947 5.758364 3.603186       3.779590      7.261631       5.691702      -0.5148319E-01 4.974040      23.72041 8.887782 16.31853 7.324094 7.401886       11.51673 
1 1 1 15 19 38 f 40.70037 4.910337 21.23938       3.923406      28.26723       6.222332      14.20446       4.782050      48.38733 6.429712 33.01342 7.423236 15.37390       9.820674 
1 1 1 15 20 0  o 68.59609 7.374568 48.80524       9.911241      48.80524       9.911241      48.80524       9.911241      68.59609 7.374568 68.59609 7.374568 0.000000       0.000000 
1 1 1 15 20 1  o 146.1456 3.323977 214.1650       9.748297      207.6472       12.01534      220.6827       15.35215      143.9595 4.173169 148.3318 5.174935 -4.372360      6.647954 
1 1 1 15 20 2  o 302.0775 3.298528 915.3197       19.92875      942.9493       28.57895      886.9816       27.78548      306.6989 4.659121 297.4560 4.670519 9.242889       6.597056 
1 1 1 15 20 3  o 187.6017 2.841507 352.5965       10.66220      352.8798       14.86332      352.3131       15.28839      187.6821 3.959705 187.5213 4.076442 0.1608734      5.683014 
1 1 1 15 20 4  o 133.4067 2.884447 178.3882       7.686701      183.1348       10.48509      173.5707       11.24313      135.2081 3.877389 131.6054 4.271531 3.602692       5.768893 
1 1 1 15 20 5  o 106.1192 2.967828 112.8564       6.303096      111.5103       8.076350      114.2024       9.684536      105.5053 3.827463 106.7331 4.536799 -1.227859      5.935657 
1 1 1 15 20 6  o 73.92953 3.369738 55.01836       4.969081      61.84784       7.197870      48.19598       6.851437      78.54094 4.582241 69.31814 4.942023 9.222801       6.739475 
1 1 1 15 20 7  o 93.04074 2.869825 86.78535       5.341018      86.21858       7.459997      87.28126       7.644195      92.75760 4.021233 93.32388 4.095520 -0.5662766     5.739651 
1 1 1 15 20 8  o 103.0510 2.727091 106.4095       5.620148      105.2051       7.870899      107.6138       8.026759      102.4686 3.840639 103.6333 3.872673 -1.164696      5.454183 
1 1 1 15 20 9  o 65.87933 3.762837 43.60521       4.937909      45.98560       6.625441      41.22481       7.325392      67.69897 4.893311 64.05968 5.717630 3.639282       7.525675 
1 1 1 15 20 10 o 136.6822 2.690169 187.3147       7.382068      195.2493       11.46275      179.3800       9.301972      139.5537 4.106930 133.8106 3.475797 5.743134       5.380339 
1 1 1 15 20 11 o 41.43411 5.606853 17.88132       4.561721      21.91950       6.812472      13.83606       6.067889      46.60823 7.308229 36.26000 8.505117 10.34823       11.21371 
1 1 1 15 20 12 o 93.51608 3.266989 87.84802       6.116773      84.23491       8.288886      91.46112       8.997337      91.59997 4.524503 95.43220 4.713995 -3.832230      6.533978 
1 1 1 15 20 13 o 32.37337 6.936433 10.63386       4.955620      12.47583       6.609855      8.798972       7.382068      34.43119 9.356039 30.31554 10.24309 4.115652       13.87287 
1 1 1 15 20 14 o 110.1376 3.107098 121.9954       6.859231      113.3523       9.110690      130.6385       10.25838      106.2428 4.287673 114.0324 4.498011 -7.789581      6.214197 
1 1 1 15 20 15 o 54.30486 4.696279 29.88958       5.019381      33.31849       6.395194      26.46067       7.736294      57.51329 5.559753 51.09642 7.570289 6.416874       9.392557 
1 1 1 15 20 16 o 68.69234 3.579295 47.65047       4.893277      53.20473       6.930075      42.09620       6.908822      72.73452 4.763952 64.65015 5.343237 8.084366       7.158591 
1 1 1 15 20 17 o 91.57288 3.007139 84.30576       5.506087      86.21858       7.736294      82.39294       7.835476      92.62035 4.176346 90.52540 4.327778 2.094955       6.014277 
1 1 1 15 20 18 o 223.6395 2.554312 502.2923       11.43441      481.9598       15.66387      522.6249       16.65570      219.1203 3.574262 228.1587 3.650025 -9.038406      5.108624 
1 1 1 15 20 19 o 71.77267 3.520892 52.21289       5.009462      60.19715       7.081684      44.22156       7.084518      77.33743 4.578433 66.20792 5.350204 11.12951       7.041785 
1 1 1 15 20 20 o 89.42982 3.290510 80.69266       5.807179      74.88335       9.386987      86.50197       6.837976      86.07841 5.452579 92.78124 3.685000 -6.702827      6.581021 
1 1 1 15 20 21 o 84.97050 3.418526 72.82884       5.787343      71.48279       9.443663      74.10406       6.696995      84.08527 5.615528 85.85573 3.900144 -1.770462      6.837052 
1 1 1 15 20 22 o 81.40125 3.524092 66.91327       5.716498      65.77267       9.294888      68.05388       6.661572      80.57338 5.767964 82.22912 4.050616 -1.655739      7.048184 
1 1 1 15 20 23 o 47.88320 5.871816 24.12278       5.321181      20.21213       8.586436      28.02635       6.289635      43.22111 10.10411 52.54529 5.984965 -9.324184      11.74363 
1 1 1 15 20 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 20 25 o 26.13448 7.121069 5.288592       5.362272      6.087726       8.954830      4.489459       5.905654      28.41473 11.01714 23.85423 9.025580 4.560499       14.24214 
1 1 1 15 20 26 f 97.25346 3.160877 95.71184       6.141568      95.28677       9.727042      96.13691       7.502505      96.88761 5.019756 97.61931 3.842736 -0.7316971     6.321754 
1 1 1 15 20 27 o 121.6965 2.821073 149.6959       6.867023      150.1918       10.93850      149.2708       8.303054      121.7055 4.493838 121.6875 3.411631 0.1803589E-01  5.642146 
1 1 1 15 20 28 o 25.12729 5.903082 3.323347       4.430658      -4.952078      6.882609      11.59735       5.581892      17.73161 8.203101 32.52297 8.490855 -14.79136      11.80616 
1 1 1 15 20 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 20 30 o 53.08114 4.504099 30.37133       4.818181      40.90601       7.792970      19.83665       5.671865      62.63281 6.221157 43.52946 6.514972 19.10334       9.008199 
1 1 1 15 20 31 o 52.23997 4.431613 28.77023       4.665863      31.71739       7.339560      25.82307       5.767506      54.73991 6.704031 49.74004 5.797649 4.999870       8.863226 
1 1 1 15 20 32 o 52.84274 4.690060 29.94626       4.779924      23.99526       7.289969      35.89725       6.184784      46.95350 7.762967 58.73197 5.265262 -11.77848      9.380119 
1 1 1 15 20 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 20 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 20 35 o 19.70099 5.795627 2.784924       3.779590      3.217079       5.726415      2.352769       4.934367      20.50978 8.508538 18.89219 7.871591 1.617592       11.59125 
1 1 1 15 20 36 o 23.08752 5.759358 5.751920       3.716538      2.322305       5.856062      9.181536       4.578724      19.29417 8.324831 26.88087 7.961032 -7.586695      11.51872 
1 1 1 15 20 37 f 13.75553 4.679929 -4.726790      3.754794      -4.332182      5.703745      -5.121398      4.884067      14.53880 6.956446 12.97225 6.262172 1.566556       9.359858 
1 1 1 15 21 0  o 500.0408 5.639717 2506.502       56.38567      2506.502       56.38567      2506.502       56.38567      500.0408 5.639717 500.0408 5.639717 0.000000       0.000000 
1 1 1 15 21 1  o 73.05659 3.513790 53.58021       5.127774      50.76765       7.289969      56.39277       7.212039      71.13042 5.124368 74.98276 4.809132 -3.852333      7.027581 
1 1 1 15 21 2  o 273.5978 2.931450 750.2504       16.04643      755.9181       24.30698      744.5828       20.96309      274.5884 4.426075 272.6073 3.844924 1.981171       5.862899 
1 1 1 15 21 3  o 114.5621 2.820749 131.9846       6.501462      146.9329       10.01751      116.9654       8.288886      121.0788 4.136771 108.0454 3.835835 13.03345       5.641498 
1 1 1 15 21 4  o 241.6150 2.989180 585.2520       14.43825      597.8625       20.29714      572.6416       20.54510      244.2281 4.155366 239.0018 4.298106 5.226288       5.978360 
1 1 1 15 21 5  o 154.2009 2.853719 238.3940       8.806056      231.9471       12.10036      244.7701       12.79464      152.1317 3.976935 156.2702 4.093756 -4.138504      5.707438 
1 1 1 15 21 6  o 87.50368 3.473550 76.86702       6.073557      80.05505       8.558097      73.67899       8.621859      89.32645 4.790349 85.68089 5.031378 3.645561       6.947101 
1 1 1 15 21 7  o 171.8292 3.300458 296.3454       11.27855      308.4599       13.78647      284.2308       17.84590      175.4251 3.929446 168.2332 5.303917 7.191895       6.600915 
1 1 1 15 21 8  o 70.93955 4.784906 51.46902       6.415030      64.12905       7.750463      38.80899       10.22296      79.92683 4.848474 61.95228 8.250672 17.97454       9.569812 
1 1 1 15 21 9  o 59.89194 5.289219 36.23731       6.356230      35.50760       7.058305      36.96701       10.57010      59.39935 5.941399 60.38454 8.752322 -0.9851952     10.57844 
1 1 1 15 21 10 o 46.90889 6.980440 23.42141       6.524841      33.58770       9.004422      13.24805       9.443663      57.60652 7.815454 36.21125 11.56827 21.39527       13.96088 
1 1 1 15 21 11 o 118.6047 3.352965 141.4070       7.941744      138.0773       11.73196      144.6659       10.71179      117.1899 5.005536 120.0195 4.462522 -2.829628      6.705929 
1 1 1 15 21 12 o 91.28646 3.339256 84.16407       6.003421      95.92437       7.998421      72.40377       8.954830      97.75337 4.091123 84.81955 5.278754 12.93382       6.678512 
1 1 1 15 21 13 o 104.5323 2.847923 109.7392       5.951704      114.5566       8.473083      104.9217       8.359732      106.8339 3.965539 102.2307 4.088661 4.603241       5.695845 
1 1 1 15 21 14 o 21.81970 6.180071 1.150526       4.388858      5.560638       6.158571      -3.258878      6.254921      25.61862 9.297611 18.02079 8.144172 7.597826       12.36014 
1 1 1 15 21 15 o 160.7271 2.527794 259.4350       8.125941      272.1163       11.63986      246.6829       11.33523      164.6756 3.534180 156.7786 3.615043 7.896942       5.055588 
1 1 1 15 21 16 o 84.98178 3.172208 72.97054       5.360146      82.03871       7.587519      63.83151       7.573349      90.33752 4.199539 79.62605 4.755573 10.71148       6.344415 
1 1 1 15 21 17 o 110.1364 2.807977 121.9245       6.183367      116.3986       8.600604      127.4505       8.891070      107.6362 3.995218 112.6366 3.946793 -5.000404      5.615954 
1 1 1 15 21 18 o 113.8355 2.736481 130.2843       6.230834      125.2543       8.692703      135.3143       8.926493      111.6338 3.893403 116.0372 3.846391 -4.403488      5.472961 
1 1 1 15 21 19 o 66.63417 3.798468 44.84500       5.061888      44.66788       7.098687      45.02211       7.219123      66.50687 5.336807 66.76147 5.406655 -0.2546005     7.596935 
1 1 1 15 21 20 o 50.44376 4.915945 26.07102       4.935784      21.74947       6.738085      30.39967       7.212039      46.18682 7.294380 54.70070 6.592274 -8.513870      9.831890 
1 1 1 15 21 21 o 26.29395 7.005424 5.626524       5.191535      9.457831       8.643111      1.795925       5.756171      31.54142 11.05690 21.04648 8.605158 10.49493       14.01085 
1 1 1 15 21 22 o 41.95594 6.943568 19.00776       5.834100      20.18379       9.663282      17.83173       6.541135      42.97699 11.14936 40.93489 8.279148 2.042099       13.88714 
1 1 1 15 21 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 21 24 o 88.93266 3.688801 80.26759       6.569473      81.75533       10.14503      78.77983       8.352647      89.64256 5.658601 88.22276 4.733839 1.419800       7.377601 
1 1 1 15 21 25 o 22.72823 6.709169 1.985790       5.139110      4.250002       8.529759      -0.2782090     5.739168      26.39994 10.59648 19.05652 8.232038 7.343420       13.41834 
1 1 1 15 21 26 o 81.18806 3.522260 67.04079       5.697370      65.73016       9.124859      68.35851       6.827350      80.18420 5.689936 82.19192 4.153298 -2.007713      7.044519 
1 1 1 15 21 27 o 86.33499 3.311286 75.80434       5.725707      77.07955       9.068183      74.59997       6.994544      86.86185 5.219888 85.80813 4.075689 1.053719       6.622573 
1 1 1 15 21 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 21 29 f 38.62865 6.012016 16.66987       4.551803      18.68896       7.084518      14.64370       5.717206      40.86058 8.915885 36.39674 8.067487 4.463840       12.02403 
1 1 1 15 21 30 o 105.4408 2.949068 113.5648       6.242877      118.0281       9.826226      109.1724       7.700871      107.2697 4.580151 103.6119 3.716210 3.657776       5.898136 
1 1 1 15 21 31 o 42.58688 5.595160 20.48843       4.725374      25.80181       7.467082      15.17504       5.795844      48.63968 7.675916 36.53410 8.142701 12.10558       11.19032 
1 1 1 15 21 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 21 33 o 31.00714 6.369522 11.71071       4.624065      18.91566       7.018632      4.502211       6.022548      39.52776 9.066210 22.48652 8.949139 17.04123       12.73904 
1 1 1 15 21 34 f 47.17084 4.609227 24.67537       4.286842      22.60670       6.572307      26.73697       5.505378      44.54478 7.377191 49.79689 5.527833 -5.252110      9.218453 
1 1 1 15 21 35 o 17.96385 5.376776 0.2006335      3.726456      -4.287550      5.698077      4.689242       4.804011      14.99757 7.097249 20.93014 8.078857 -5.932570      10.75355 
1 1 1 15 21 36 o 34.74509 5.557563 15.41591       3.895777      12.80172       6.019006      18.03010       4.947119      30.09937 9.171340 39.39081 6.279535 -9.291441      11.11513 
1 1 1 15 22 0  o 197.6893 3.528835 391.5613       13.94233      391.5613       13.94233      391.5613       13.94233      197.6893 3.528835 197.6893 3.528835 0.000000       0.000000 
1 1 1 15 22 1  o 112.7450 2.700404 127.4505       6.089851      132.3388       8.770633      122.5622       8.451830      114.9081 3.816369 110.5819 3.821526 4.326241       5.400808 
1 1 1 15 22 2  o 312.9716 3.134227 982.6226       19.63828      997.5001       29.95334      967.7452       25.41216      315.2689 4.750444 310.6744 4.089839 4.594452       6.268453 
1 1 1 15 22 3  o 41.59960 6.137506 18.10803       5.024340      24.44159       6.517048      11.78155       7.651280      49.26320 6.614520 33.93601 10.34041 15.32719       12.27501 
1 1 1 15 22 4  o 110.7858 3.065557 123.1289       6.789093      124.4041       9.117774      121.8537       10.06001      111.3786 4.093145 110.1930 4.564726 1.185623       6.131114 
1 1 1 15 22 5  o 59.51163 4.421912 35.66346       5.261672      35.75556       7.204955      35.57136       7.672533      59.60204 6.044218 59.42122 6.456054 0.1808205      8.843823 
1 1 1 15 22 6  o 54.87340 5.243825 30.96643       5.715789      39.15613       8.671450      22.78381       7.445828      62.28996 6.960552 47.45684 7.844841 14.83311       10.48765 
1 1 1 15 22 7  o 165.9135 3.136156 276.5087       10.43549      289.1192       15.81264      263.8983       13.61644      169.6648 4.659967 162.1622 4.198404 7.502625       6.272311 
1 1 1 15 22 8  o 130.8848 2.939869 171.9413       7.693786      171.3036       11.02351      172.5788       10.74013      130.6350 4.219203 131.1347 4.095075 -0.4997253     5.879737 
1 1 1 15 22 9  o 77.58354 4.334524 60.80642       6.662989      55.69847       10.14503      65.90726       8.636027      74.24256 6.832354 80.92451 5.335853 -6.681953      8.669047 
1 1 1 15 22 10 o 30.48450 6.948792 8.813140       5.139817      3.264546       6.876941      14.36032       7.637110      24.10812 9.572824 36.86089 10.07491 -12.75277      13.89758 
1 1 1 15 22 11 o 60.87097 4.400357 37.49126       5.313388      41.50111       7.247461      33.48852       7.771716      64.18082 5.646127 57.56112 6.750838 6.619701       8.800714 
1 1 1 15 22 12 o 30.88726 6.665276 9.585353       4.881233      3.079640       6.077808      16.08894       7.637110      22.87024 9.025209 38.90429 9.810668 -16.03405      13.33055 
1 1 1 15 22 13 o 199.2753 3.099231 399.3543       12.27747      414.1609       14.55868      384.4768       19.76581      203.1528 3.583186 195.3979 5.057835 7.754898       6.198461 
1 1 1 15 22 14 o 101.4424 3.269921 103.8590       6.692035      92.80718       8.253463      114.9109       10.53468      96.07349 4.295391 106.8113 4.931445 -10.73778      6.539842 
1 1 1 15 22 15 o 31.68765 7.074540 10.31506       5.045594      8.657280       6.324349      11.97283       7.863815      29.37016 9.475342 34.00515 10.50782 -4.634991      14.14908 
1 1 1 15 22 16 o 112.7539 2.843996 127.8755       6.403696      133.8974       8.969000      121.7829       9.146112      115.4455 3.884518 110.0624 4.154968 5.383087       5.687991 
1 1 1 15 22 17 o 65.96794 3.971186 44.18614       5.199328      49.81124       7.254546      38.56103       7.445828      70.24104 5.164037 61.69485 6.034400 8.546185       7.942371 
1 1 1 15 22 18 o 56.00257 4.438962 31.81657       4.971914      29.57786       6.832309      34.06236       7.226208      54.02155 6.323689 57.98359 6.231252 -3.962040      8.877924 
1 1 1 15 22 19 o 83.35051 3.481106 70.20049       5.791594      74.17490       8.083434      66.19773       8.295970      85.75337 4.713188 80.94765 5.124281 4.805725       6.962213 
1 1 1 15 22 20 o 138.5585 2.799603 193.2656       7.757547      200.3502       10.98809      186.1103       10.94558      141.1262 3.893002 135.9909 4.024380 5.135284       5.599205 
1 1 1 15 22 21 o 26.73365 7.432555 4.804720       5.817098      4.944285       7.991336      4.665155       8.458915      26.60727 10.38877 26.86004 10.63226 -0.2527752     14.86511 
1 1 1 15 22 22 o 100.6755 4.184661 103.6465       8.345562      93.09056       12.39791      114.2024       11.17229      95.32969 6.502647 106.0214 5.268884 -10.69167      8.369322 
1 1 1 15 22 23 o 97.93672 3.640956 97.48296       7.044845      88.62732       10.84640      106.3386       8.997337      93.28819 5.813381 102.5852 4.385298 -9.297050      7.281912 
1 1 1 15 22 24 f 80.78482 3.876773 66.81409       6.315848      76.58364       9.875818      57.05870       7.877984      86.66008 5.698020 74.90956 5.258330 11.75052       7.753546 
1 1 1 15 22 25 o 54.12495 4.938731 30.76806       5.440201      38.29182       8.841478      23.23722       6.344894      60.77479 7.273969 47.47511 6.682338 13.29968       9.877462 
1 1 1 15 22 26 o 33.47966 5.249557 9.202788       4.842268      -6.246420      7.516674      24.65412       6.109688      18.05993 8.438239 48.89940 6.247201 -30.83948      10.49911 
1 1 1 15 22 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 22 28 o 90.08846 4.286329 85.65182       8.154280      106.1969       14.65787      65.12797       7.162447      100.3055 7.306612 79.87142 4.483736 20.43408       8.572658 
1 1 1 15 22 29 o 76.89842 3.644872 61.01895       5.581183      59.41077       8.728126      62.62006       6.961247      75.58543 5.773683 78.21140 4.450276 -2.625969      7.289744 
1 1 1 15 22 30 f 47.81156 5.330125 25.12878       4.934367      24.80290       7.821308      25.46176       6.017590      46.58474 8.717537 49.03838 6.135592 -2.453644      10.66025 
1 1 1 15 22 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 22 32 o 67.63667 4.047421 49.31533       5.506795      56.15897       8.473083      42.47168       7.034218      72.23930 5.864594 63.03405 5.579698 9.205250       8.094843 
1 1 1 15 22 33 o 20.84972 6.023670 3.453702       3.996377      2.966996       5.950995      3.939700       5.335350      20.66699 8.629926 21.03245 8.406116 -0.3654613     12.04734 
1 1 1 15 22 34 o 22.79329 5.629595 4.764338       3.867438      12.96467       6.033175      -3.439533      4.840142      31.42550 9.085666 14.16107 6.649814 17.26443       11.25919 
1 1 1 15 22 35 o 23.70955 5.613716 5.734209       3.868147      -0.6432742     5.860313      12.11453       5.051261      16.96542 7.737027 30.45369 8.135948 -13.48827      11.22743 
1 1 1 15 23 0  o 38.82821 12.96526 19.58161       8.947746      19.58161       8.947746      19.58161       8.947746      38.82821 12.96526 38.82821 12.96526 0.000000       0.000000 
1 1 1 15 23 1  o 110.8342 3.533176 123.4832       7.828392      122.3496       11.92324      124.6167       10.13795      110.2765 5.406066 111.3918 4.550580 -1.115273      7.066352 
1 1 1 15 23 2  f 142.7608 3.295688 204.7426       9.415324      206.1595       14.31781      203.3257       12.22788      143.2059 4.999030 142.3158 4.296037 0.8901215      6.591376 
1 1 1 15 23 3  o 127.4546 3.014403 163.0856       7.679617      164.9984       10.44258      161.1728       11.26438      128.2238 4.072014 126.6854 4.445808 1.538345       6.028807 
1 1 1 15 23 4  o 177.8677 2.895065 317.5281       10.29380      323.7625       14.29656      311.3646       14.81373      179.6219 3.979625 176.1135 4.205732 3.508377       5.790130 
1 1 1 15 23 5  o 130.7273 2.623463 171.4453       6.857813      165.3526       9.599521      177.6089       9.797889      128.3876 3.738493 133.0670 3.681562 -4.679428      5.246925 
1 1 1 15 23 6  o 146.0381 2.746409 214.0233       8.026759      216.9279       12.08619      211.1186       10.57010      146.9987 4.110986 145.0775 3.642916 1.921204       5.492817 
1 1 1 15 23 7  o 62.19220 3.940169 39.00735       4.897527      41.74198       7.037760      36.27273       6.812472      64.38338 5.465510 60.00101 5.676965 4.382378       7.880338 
1 1 1 15 23 8  o 38.89340 6.308704 16.08894       4.831641      13.77230       6.381025      18.39849       7.254546      36.06845 8.890806 41.71836 8.952797 -5.649910      12.61741 
1 1 1 15 23 9  o 168.6572 2.798277 285.5061       9.429493      280.7594       14.27530      290.3235       12.31289      167.1930 4.269109 170.1213 3.618857 -2.928299      5.596554 
1 1 1 15 23 10 o 29.56633 6.123684 6.515631       4.897527      -3.710162      7.212039      16.74072       6.630400      19.34252 8.743112 39.79015 8.576483 -20.44764      12.24737 
1 1 1 15 23 11 o 80.52626 3.632039 65.41135       5.824891      60.73557       8.501422      70.08714       7.962997      77.60348 5.477475 83.44904 4.771174 -5.845566      7.264078 
1 1 1 15 23 12 o 98.21751 3.256134 97.12873       6.383151      94.50746       9.557014      99.67917       8.465999      96.86378 4.933224 99.57125 4.251226 -2.707474      6.512267 
1 1 1 15 23 13 o 88.30718 3.559776 78.56730       6.288927      79.41744       9.061099      77.71716       8.721042      88.77590 5.103354 87.83846 4.964250 0.9374390      7.119551 
1 1 1 15 23 14 o 65.98726 4.515228 44.08695       5.959496      43.64063       8.274716      44.52619       8.579351      65.66652 6.300560 66.30801 6.469318 -0.6414871     9.030456 
1 1 1 15 23 15 o 154.7390 2.886160 241.2278       8.876901      259.4350       11.84531      222.9498       13.21971      160.6831 3.685925 148.7950 4.442255 11.88803       5.772320 
1 1 1 15 23 16 o 148.9218 2.937925 223.5874       8.671450      245.8328       11.56902      201.4128       12.91508      156.4259 3.697922 141.4176 4.566289 15.00827       5.875851 
1 1 1 15 23 17 o 62.07593 4.651229 39.32616       5.822765      34.05528       7.275800      44.59704       9.089437      57.93991 6.278746 66.21194 6.863896 -8.272022      9.302458 
1 1 1 15 23 18 o 95.33249 3.581077 91.81535       6.850020      87.70633       8.728126      95.99522       10.56302      93.25023 4.679949 97.41475 5.421672 -4.164520      7.162154 
1 1 1 15 23 19 o 73.97696 4.465872 55.64180       6.573724      58.07180       8.451830      53.21181       10.07418      75.72337 5.580728 72.23055 6.973631 3.492821       8.931744 
1 1 1 15 23 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 23 21 o 56.54902 5.976755 33.92067       6.466040      40.07003       8.933578      27.77131       9.351563      62.40997 7.157172 50.68808 9.573989 11.72189       11.95351 
1 1 1 15 23 22 o 32.38499 6.580000 9.365732       5.562763      -2.245084      7.736294      20.97726       7.998421      20.79300 9.238699 43.97697 9.371875 -23.18397      13.16000 
1 1 1 15 23 23 o 60.82574 4.707778 38.02969       5.716498      38.95068       7.729208      37.10870       8.430575      61.65582 6.268029 59.99566 7.025989 1.660156       9.415557 
1 1 1 15 23 24 o 42.97288 6.328518 20.20504       5.336767      22.50043       8.650196      17.91675       6.251379      45.13347 9.855142 40.81228 7.942088 4.321194       12.65704 
1 1 1 15 23 25 o 27.43781 6.871675 6.899612       4.915238      4.696327       7.778800      9.103605       6.012630      25.71106 10.19005 29.16455 9.221850 -3.453491      13.74335 
1 1 1 15 23 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 23 27 o 62.71713 4.478824 41.57903       5.335350      30.95934       8.168448      52.19873       6.867023      54.04630 7.556900 71.38797 4.809650 -17.34167      8.957648 
1 1 1 15 23 28 o 95.23145 3.349683 93.37395       6.287509      83.52647       9.649114      103.1506       8.062181      89.85952 5.368999 100.6034 4.006914 -10.74387      6.699366 
1 1 1 15 23 29 o 116.8658 3.059927 140.7694       7.078850      130.1426       10.90307      151.3253       9.032760      112.0221 4.866482 121.7094 3.710791 -9.687248      6.119854 
1 1 1 15 23 30 o 25.24307 7.940915 4.219539       8.189702      15.60011       14.12653      -7.162447      8.295970      32.87468 13.46751 17.61146 8.417767 15.26321       15.88183 
1 1 1 15 23 31 o 74.76797 4.101024 60.74974       6.009089      52.75132       9.110690      68.75524       7.835476      68.96502 6.605298 80.57094 4.862471 -11.60592      8.202048 
1 1 1 15 23 32 o 21.44629 6.212867 3.307053       4.412946      0.9457831      6.723916      5.668323       5.717206      19.83375 8.737724 23.05883 8.834650 -3.225080      12.42573 
1 1 1 15 23 33 o 36.87154 5.798744 16.73363       4.279048      13.61644       6.478791      19.85790       5.591810      31.98963 9.469018 41.75344 6.696226 -9.763817      11.59749 
1 1 1 15 23 34 o 37.59940 5.709738 18.36307       4.391693      10.88182       6.623316      25.85140       5.769631      27.59733 9.678667 47.60147 6.060350 -20.00414      11.41948 
1 1 1 15 23 35 o 16.68270 5.393012 -0.5140526     4.084224      2.714787       5.947453      -3.742751      5.598186      18.83158 8.257519 14.53383 6.939142 4.297750       10.78602 
1 1 1 15 24 0  o 62.49588 6.311628 40.41718       7.743378      40.41718       7.743378      40.41718       7.743378      62.49588 6.311628 62.49588 6.311628 0.000000       0.000000 
1 1 1 15 24 1  o 46.70984 5.276268 22.47209       4.825974      19.95709       6.570890      24.99418       7.070349      43.72022 7.794853 49.69945 7.113105 -5.979229      10.55254 
1 1 1 15 24 2  o 145.9193 2.973700 213.8107       8.678535      213.8816       12.66003      213.7399       11.87365      145.9241 4.337883 145.9145 4.068703 0.9643555E-02  5.947401 
1 1 1 15 24 3  o 58.13026 4.890387 34.17571       5.694535      35.08961       8.494337      33.26889       7.580434      58.87602 7.213749 57.38451 6.604948 1.491505       9.780773 
1 1 1 15 24 4  o 155.6316 2.977634 243.2823       9.273635      250.1543       13.71563      236.4104       12.49709      157.8089 4.345645 153.4543 4.071925 4.354553       5.955267 
1 1 1 15 24 5  o 85.35435 3.642275 73.32476       6.207455      72.26208       9.606606      74.38744       7.863815      84.67785 5.672443 86.03085 4.570346 -1.352997      7.284551 
1 1 1 15 24 6  o 37.14865 6.575687 14.44533       5.030716      10.54176       7.800055      18.34890       6.354813      32.44547 10.52842 41.85183 7.881055 -9.406353      13.15137 
1 1 1 15 24 7  o 148.8321 2.853504 222.5247       8.515590      228.9716       13.12053      216.0778       10.85348      150.9368 4.346365 146.7273 3.698520 4.209427       5.707008 
1 1 1 15 24 8  o 80.20092 3.416614 64.91544       5.462163      58.41185       7.707955      71.41194       7.736294      76.14954 5.061065 84.25230 4.591147 -8.102753      6.833229 
1 1 1 15 24 9  o 124.4757 3.059920 155.7885       7.601687      159.4725       9.819141      152.1754       11.60444      125.9984 3.896535 122.9531 4.719052 3.045303       6.119840 
1 1 1 15 24 10 o 77.63496 3.783747 61.23149       5.888652      71.55363       8.947746      50.89518       7.658363      84.23601 5.311117 71.03391 5.390640 13.20210       7.567494 
1 1 1 15 24 11 o 137.4584 2.938626 189.9359       8.062181      194.8242       10.54885      185.0476       12.19245      139.2865 3.786746 135.6304 4.494735 3.656052       5.877252 
1 1 1 15 24 12 o 74.91571 3.575120 56.80367       5.332517      64.05112       7.615856      49.55620       7.459997      79.74663 4.775033 70.08480 5.322122 9.661827       7.150240 
1 1 1 15 24 13 o 24.22900 6.669716 3.722914       4.705537      5.664072       6.662989      1.782465       6.646695      26.10781 9.649076 22.35019 9.210634 3.757618       13.33943 
1 1 1 15 24 14 o 24.61164 6.050417 -0.8508506     5.049844      -13.99901      7.495420      12.29872       6.773507      15.17974 7.420600 34.04355 9.558498 -18.86381      12.10083 
1 1 1 15 24 15 o 85.67403 3.764806 74.17490       6.417865      69.97379       9.670367      78.42561       8.437660      83.14957 5.815043 88.19848 4.783337 -5.048912      7.529611 
1 1 1 15 24 16 o 126.1468 3.174759 160.4643       8.040927      168.3990       12.33415      152.6005       10.30797      129.1879 4.773725 123.1057 4.186636 6.082191       6.349518 
1 1 1 15 24 17 o 39.32231 6.608655 15.87640       5.841893      4.869897       8.685618      26.88575       7.821308      27.37864 10.79390 51.26598 7.628167 -23.88733      13.21731 
1 1 1 15 24 18 o 60.24914 5.849225 37.48418       7.003754      34.91959       10.47092      40.05586       9.301972      58.00661 9.025624 62.49167 7.442570 -4.485054      11.69845 
1 1 1 15 24 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 24 20 o 99.36403 3.878331 100.3168       7.715039      99.46662       9.670367      101.2378       12.01534      99.09261 4.879460 99.63546 6.029651 -0.5428543     7.756663 
1 1 1 15 24 21 o 65.35155 5.102381 44.33491       6.463206      52.72298       8.359732      35.94684       9.861650      71.91895 5.811912 58.78414 8.388019 13.13480       10.20476 
1 1 1 15 24 22 o 88.12878 4.027614 79.34660       7.098687      78.85069       8.969000      79.77167       11.00934      88.05610 5.092776 88.20145 6.241020 -0.1453552     8.055228 
1 1 1 15 24 23 o 20.43508 6.435202 -3.035007      5.480583      -9.195704      6.585060      3.126397       8.763549      15.27564 7.348746 25.59451 10.56614 -10.31887      12.87040 
1 1 1 15 24 24 o 117.9698 3.417044 142.0446       8.019674      147.9247       10.19462      136.0936       12.38374      120.7023 4.223045 115.2374 5.373141 5.464851       6.834088 
1 1 1 15 24 25 o 69.77293 4.320891 50.50553       6.022548      50.68972       9.670367      50.32842       7.183701      69.52452 6.954645 70.02133 5.129652 -0.4968109     8.641783 
1 1 1 15 24 26 o 52.24800 5.247830 28.92608       5.457204      28.47976       8.713958      29.36533       6.572307      51.39908 8.476764 53.09693 6.188971 -1.697853      10.49566 
1 1 1 15 24 27 o 26.88137 6.922459 7.332476       4.870606      9.231127       7.622942      5.430283       6.065056      29.38229 10.37551 24.38044 9.166813 5.001852       13.84492 
1 1 1 15 24 28 o 64.19255 4.376179 43.81774       5.671157      48.48644       8.997337      39.14904       6.903154      67.32224 6.682293 61.06287 5.652497 6.259361       8.752357 
1 1 1 15 24 29 o 17.72038 6.019727 -9.649114      6.349145      -14.79247      9.294888      -4.510713      8.650196      16.32644 8.041282 19.11433 8.960260 -2.787888      12.03945 
1 1 1 15 24 30 o 63.02666 4.598563 44.44827       5.847561      50.72515       9.167366      38.17138       7.261631      67.17952 6.823037 58.87381 6.167115 8.305710       9.197126 
1 1 1 15 24 31 o 19.16645 6.060542 -0.3096643E-01 4.777090      0.3919155      6.920157      -0.4538342     6.587184      19.62989 8.728747 18.70300 8.410090 0.9268932      12.12108 
1 1 1 15 24 32 o 53.10240 4.820933 32.22747       5.116439      34.45910       7.346645      29.99585       7.119940      55.08594 6.668348 51.11886 6.964103 3.967079       9.641867 
1 1 1 15 24 33 o 14.33117 4.894928 -6.239335      4.220247      -4.880525      6.121732      -7.601687      5.810721      15.12201 7.228633 13.54033 6.602133 1.581685       9.789857 
1 1 1 15 24 34 o 25.62864 9.186805 0.000000       0.000000      ?              ?             9.627860       5.996336      ?        ?        25.62864 9.186805 ?              ?        
1 1 1 15 25 0  o 66.65167 5.642165 45.56762       7.417490      45.56762       7.417490      45.56762       7.417490      66.65167 5.642165 66.65167 5.642165 0.000000       0.000000 
1 1 1 15 25 1  o 44.29224 5.642486 20.36090       4.876983      22.62086       6.974000      18.10094       6.819557      47.19684 7.388206 41.38765 8.530240 5.809193       11.28497 
1 1 1 15 25 2  o 24.99794 6.533633 4.551803       4.499377      7.743378       6.276175      1.363061       6.449036      28.22437 9.444716 21.77151 9.030548 6.452866       13.06727 
1 1 1 15 25 3  o 144.9344 2.651976 210.9061       7.686701      206.7262       10.78264      215.1568       10.95975      143.4850 3.757409 146.3837 3.743500 -2.898727      5.303952 
1 1 1 15 25 4  o 39.39757 6.033843 16.55652       4.797635      23.55602       6.929367      9.549930       6.637485      48.16743 7.193000 30.62771 9.689672 17.53972       12.06769 
1 1 1 15 25 5  o 45.70935 5.675584 21.72113       5.031425      24.32824       6.932201      19.11403       7.289969      48.95847 7.079675 42.46024 8.872837 6.498230       11.35117 
1 1 1 15 25 6  o 141.0707 3.070379 200.1376       8.664365      202.5464       12.85840      197.7289       11.62569      141.8845 4.531292 140.2569 4.144429 1.627625       6.140757 
1 1 1 15 25 7  o 91.65414 3.823195 84.80168       6.956996      78.63815       10.47800      91.03606       9.160281      88.22037 5.938539 95.08791 4.816743 -6.867546      7.646389 
1 1 1 15 25 8  o 120.1932 3.365130 145.5869       8.048012      135.8102       11.90907      155.3635       10.83223      116.0887 5.129301 124.2978 4.357369 -8.209129      6.730259 
1 1 1 15 25 9  o 58.94930 5.183013 35.36591       6.044511      32.87216       9.486169      37.86674       7.495420      56.71941 8.362367 61.17920 6.125792 -4.459789      10.36603 
1 1 1 15 25 10 o 75.11433 4.268299 57.19331       6.356230      53.39601       9.861650      60.99061       8.019674      72.49126 6.801958 77.73739 5.158184 -5.246124      8.536597 
1 1 1 15 25 11 o 91.88650 3.715362 85.36844       6.777050      80.12590       10.42133      90.54014       8.671450      88.97225 5.856503 94.80074 4.573514 -5.828491      7.430724 
1 1 1 15 25 12 o 79.29892 4.142732 63.71815       6.483750      58.18514       10.16628      69.25824       8.048012      75.70534 6.714377 82.89250 4.854487 -7.187164      8.285463 
1 1 1 15 25 13 o 49.80284 5.421803 26.12770       5.137692      32.87216       7.346645      19.38324       7.183701      56.90055 6.455689 42.70514 8.712514 14.19541       10.84361 
1 1 1 15 25 14 o 49.91122 5.403839 25.51843       5.391318      27.23289       7.750463      23.79690       7.495420      51.61302 7.508245 48.20942 7.773812 3.403595       10.80768 
1 1 1 15 25 15 o 90.75541 3.520011 83.24309       6.373940      89.40662       8.990252      77.15040       9.039845      94.13400 4.775243 87.37682 5.172908 6.757172       7.040023 
1 1 1 15 25 16 o 91.50809 3.798779 85.08506       6.927242      74.74166       9.634944      95.49931       9.953747      85.85603 5.611105 97.16016 5.122340 -11.30414      7.597557 
1 1 1 15 25 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 25 18 o 58.84859 5.853920 36.30107       6.843644      43.52728       10.10961      29.07486       9.231127      64.88775 7.790073 52.80943 8.740037 12.07832       11.70784 
1 1 1 15 25 19 o 177.6112 3.107055 318.8033       11.03059      316.9613       16.48567      320.6453       14.66495      176.9831 4.657415 178.2394 4.113837 -1.256287      6.214110 
1 1 1 15 25 20 o 99.54781 3.718674 101.0961       7.445828      112.4313       11.46984      89.76084       9.500339      105.0829 5.457516 94.01269 5.052690 11.07023       7.437349 
1 1 1 15 25 21 f 89.91920 3.892468 82.53463       7.008713      83.88069       10.59844      81.18858       9.167366      90.53342 5.853330 89.30498 5.132617 1.228439       7.784936 
1 1 1 15 25 22 o 63.51218 4.484048 41.81283       5.660530      35.25965       7.835476      48.35892       8.168448      58.39559 6.708963 68.62878 5.951183 -10.23320      8.968097 
1 1 1 15 25 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 25 24 o 43.35006 6.991495 21.43067       5.999169      17.64045       7.304138      25.22088       9.521592      39.64172 9.352731 47.05841 10.39473 -7.416695      13.98299 
1 1 1 15 25 25 o 50.13039 6.381472 27.87049       6.126691      31.15062       7.523758      24.59036       9.677451      54.35217 6.921304 45.90862 10.72326 8.443554       12.76294 
1 1 1 15 25 26 o 43.92600 6.895419 21.96909       6.083476      18.03010       9.826226      25.91516       7.176617      38.58691 11.71048 49.26509 7.283674 -10.67818      13.79084 
1 1 1 15 25 27 o 65.60913 4.864210 46.87117       6.092685      34.28907       8.997337      59.44619       8.218040      55.82589 8.058392 75.39238 5.450180 -19.56649      9.728419 
1 1 1 15 25 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 25 29 o 23.44713 6.880345 3.416863       5.670448      -0.9989170     8.678535      7.828392       7.297054      20.80486 9.468457 26.08940 9.985235 -5.284542      13.76069 
1 1 1 15 25 30 o 19.61572 6.203111 -0.1829931     5.109354      -1.689657      8.076350      1.323388       6.258463      19.66585 9.012554 19.56560 8.525739 0.1002579      12.40622 
1 1 1 15 25 31 o 20.06397 6.226552 1.343933       4.888317      5.173823       7.459997      -2.486666      6.317973      23.19137 9.671782 16.93657 7.844514 6.254803       12.45310 
1 1 1 15 25 32 o 22.09502 6.257613 4.892568       4.441993      2.247917       6.876941      7.537927       5.625107      20.01397 8.824321 24.17607 8.874810 -4.162100      12.51523 
1 1 1 15 25 33 o 23.54100 6.276661 6.541844       4.565971      2.267046       7.183701      10.81806       5.636442      19.61181 8.802022 27.47019 8.950438 -7.858376      12.55332 
1 1 1 15 26 0  o 123.3808 4.075086 153.0964       10.03168      153.0964       10.03168      153.0964       10.03168      123.3808 4.075086 123.3808 4.075086 0.000000       0.000000 
1 1 1 15 26 1  o 63.30615 4.212273 40.58012       5.308429      36.76865       7.580434      44.39867       7.438744      60.28682 6.286975 66.32549 5.607756 -6.038677      8.424546 
1 1 1 15 26 2  o 69.42996 3.896576 48.69189       5.396986      45.44718       7.707955      51.93660       7.559181      67.08723 5.744727 71.77271 5.266055 -4.685478      7.793152 
1 1 1 15 26 3  o 114.5968 2.910863 132.0554       6.670782      139.2816       9.627860      124.9001       9.238212      117.7222 4.089228 111.4715 4.143756 6.250763       5.821726 
1 1 1 15 26 4  o 24.39817 6.766269 3.739917       4.822432      4.434200       6.886859      3.044926       6.753671      25.13070 9.678601 23.66564 9.458025 1.465057       13.53254 
1 1 1 15 26 5  o 64.49501 4.124224 42.67713       5.252461      52.95677       7.722124      32.39750       7.119940      72.43605 5.330305 56.55398 6.294818 15.88207       8.248448 
1 1 1 15 26 6  o 144.4464 2.733141 209.8434       7.899237      217.7781       11.32106      201.8379       11.00934      147.1948 3.845604 141.6981 3.884788 5.496719       5.466283 
1 1 1 15 26 7  o 49.92896 5.329937 25.44050       5.321181      26.21980       7.509589      24.66829       7.537927      50.70774 7.404775 49.15018 7.668259 1.557560       10.65987 
1 1 1 15 26 8  o 36.48830 7.365278 14.29656       6.133067      23.24430       9.769550      5.354478       7.410406      46.41734 10.73011 26.55925 10.09228 19.85808       14.73056 
1 1 1 15 26 9  o 107.8143 3.526808 117.3196       7.615856      122.9164       11.29272      111.6520       10.22296      110.3812 5.115327 105.2473 4.856637 5.133896       7.053616 
1 1 1 15 26 10 o 145.3894 3.047934 212.8898       8.876901      205.3802       11.81698      220.3285       13.24805      142.8742 4.135448 147.9046 4.478580 -5.030380      6.095868 
1 1 1 15 26 11 o 76.74283 4.565528 59.92794       7.032801      63.99445       10.69054      55.86142       9.139028      79.29416 6.741063 74.19150 6.159081 5.102661       9.131057 
1 1 1 15 26 12 o 60.60793 5.648811 37.68963       6.784134      35.07545       10.44966      40.30382       8.657280      58.31263 8.960034 62.90323 6.881428 -4.590595      11.29762 
1 1 1 15 26 13 o 26.17167 7.505236 3.464329       6.199661      6.382442       9.783719      0.5462871      7.622942      29.67291 11.51353 22.67042 9.630833 7.002487       15.01047 
1 1 1 15 26 14 o 41.19414 8.216304 18.75272       7.162447      23.49935       11.20062      14.00609       8.940661      46.12682 12.02082 36.26145 11.20403 9.865376       16.43261 
1 1 1 15 26 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 26 16 o 88.58170 4.901067 81.25941       8.402238      65.32634       12.81589      97.27043       10.87473      79.38385 8.072104 97.77953 5.560844 -18.39568      9.802135 
1 1 1 15 26 17 o 21.81818 6.936905 -3.348143      6.347020      -2.519963      9.719957      -4.176323      8.161365      23.33647 10.36387 20.29988 9.223496 3.036587       13.87381 
1 1 1 15 26 18 o 72.09093 4.422653 53.19056       6.362606      55.84726       8.763549      50.54095       9.224042      73.97322 5.923460 70.20864 6.569022 3.764580       8.845306 
1 1 1 15 26 19 o 39.89856 6.950356 17.53418       5.529466      18.68896       7.438744      16.37940       8.182618      41.34448 9.231898 38.45264 10.39240 2.891842       13.90071 
1 1 1 15 26 20 o 56.90655 5.167248 33.66563       5.854646      36.27982       8.055097      31.05853       8.494337      59.25769 6.796668 54.55540 7.785056 4.702290       10.33450 
1 1 1 15 26 21 o 72.57513 4.600705 54.49411       6.674324      54.38076       10.12378      54.60038       8.699788      72.31103 7.000161 72.83925 5.971909 -0.5282211     9.201410 
1 1 1 15 26 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 26 23 o 73.51553 4.751604 57.30666       7.005171      71.62447       10.90307      42.98885       8.798972      82.91186 6.575099 64.11919 6.861417 18.79266       9.503208 
1 1 1 15 26 24 o 57.43189 6.096714 35.82641       7.000212      36.78282       9.904156      34.87000       9.897071      58.26278 8.499557 56.60101 8.742840 1.661766       12.19343 
1 1 1 15 26 25 o 37.31618 7.897170 15.72763       7.240376      20.10586       7.382068      11.34231       12.45458      41.84231 9.076345 32.79005 12.92599 9.052258       15.79434 
1 1 1 15 26 26 o 53.03366 6.511049 31.97952       6.666531      33.76481       8.444746      30.18713       10.32214      55.79387 7.567807 50.27345 10.59733 5.520416       13.02210 
1 1 1 15 26 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 26 28 o 35.98864 7.520030 16.50693       6.181951      12.29872       9.656199      20.71513       7.722124      31.03526 11.58677 40.94201 9.589069 -9.906752      15.04006 
1 1 1 15 26 29 o 27.95835 7.353309 9.982086       5.559221      13.09219       8.699788      6.880484       6.925824      31.03884 11.07165 24.87786 9.680042 6.160975       14.70662 
1 1 1 15 26 30 o 27.85433 6.974584 10.23004       4.908862      9.344479       7.297054      11.12269       6.568765      26.82152 10.06072 28.88714 9.662361 -2.065617      13.94917 
1 1 1 15 26 31 o 27.09721 6.600723 9.415324       4.874148      3.635775       7.169532      15.19629       6.604187      21.17343 9.174364 33.02099 9.492589 -11.84756      13.20145 
1 1 1 15 26 32 f 36.59407 6.195638 18.41266       4.506462      18.17179       6.934327      18.66062       5.757588      35.21665 9.588934 37.97150 7.848317 -2.754848      12.39128 
1 1 1 15 27 0  o 14.27221 9.487689 -1.169654      6.905280      -1.169654      6.905280      -1.169654      6.905280      14.27221 9.487689 14.27221 9.487689 0.000000       0.000000 
1 1 1 15 27 1  o 118.2685 3.007339 140.7694       7.112856      137.2271       10.09544      144.3116       10.01751      116.7681 4.322858 119.7689 4.182015 -3.000809      6.014678 
1 1 1 15 27 2  o 200.5634 2.920357 404.7385       11.74613      419.1201       17.93091      390.3569       15.16795      204.0512 4.393730 197.0757 3.848256 6.975494       5.840714 
1 1 1 15 27 3  o 144.2155 2.807907 209.2058       8.097604      199.4292       11.34231      218.9825       11.55485      140.8331 4.026865 147.5980 3.914298 -6.764908      5.615814 
1 1 1 15 27 4  o 87.59152 3.414928 77.29209       5.981458      77.07955       8.586436      77.57547       8.331393      87.43958 4.909925 87.74347 4.747586 -0.3038940     6.829856 
1 1 1 15 27 5  o 69.66963 4.110422 49.25865       5.708704      43.64771       7.948828      54.87667       8.196787      65.65266 6.053699 73.68660 5.561925 -8.033936      8.220844 
1 1 1 15 27 6  o 107.0288 3.699541 116.1861       8.048012      100.7418       9.301972      131.7012       13.12761      99.97891 4.651967 114.0788 5.753749 -14.09985      7.399083 
1 1 1 15 27 7  o 80.11836 4.286948 65.43969       6.750837      55.71973       10.07418      75.16674       8.990252      73.98805 6.807981 86.24867 5.211821 -12.26062      8.573895 
1 1 1 15 27 8  o 62.77356 4.737940 40.10546       5.945328      39.26240       8.465999      40.95560       8.352647      62.09172 6.817333 63.45539 6.581511 -1.363674      9.475881 
1 1 1 15 27 9  o 46.61805 6.454591 23.14512       5.904946      28.84107       8.721042      17.45625       7.970083      53.00594 8.226477 40.23016 9.948471 12.77578       12.90918 
1 1 1 15 27 10 o 129.1306 3.408165 168.3990       8.827310      159.8267       11.38482      176.9713       13.50309      125.9127 4.520919 132.3485 5.101339 -6.435806      6.816331 
1 1 1 15 27 11 o 41.44809 7.414828 18.69604       6.266256      23.69063       8.820225      13.69437       8.905238      46.92619 9.725144 35.96999 11.19555 10.95620       14.82966 
1 1 1 15 27 12 o 214.8915 3.976449 469.2076       17.08786      467.7907       22.33040      470.6245       25.87974      214.8148 5.197594 214.9682 6.019435 -0.1533966     7.952898 
1 1 1 15 27 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 27 14 o 45.02014 7.313385 22.30915       6.500045      26.85032       8.961915      17.76089       9.415324      49.92133 9.322341 40.11894 11.27104 9.802391       14.62677 
1 1 1 15 27 15 o 107.3137 3.597023 116.8237       7.729208      112.8564       10.33631      120.7910       11.49817      105.5458 4.896599 109.0816 5.270447 -3.535736      7.194046 
1 1 1 15 27 16 o 28.56253 7.643056 5.171698       6.468165      -0.9365733     9.642029      11.27855       8.621859      24.10138 10.54151 33.02367 11.06986 -8.922293      15.28611 
1 1 1 15 27 17 o 77.73059 4.568756 62.05329       7.084518      60.82767       10.91016      63.27892       9.039845      76.74815 7.107766 78.71304 5.742280 -1.964882      9.137511 
1 1 1 15 27 18 o 97.80469 4.382134 98.40395       8.430575      90.11507       13.51017      106.6220       10.09544      93.22300 7.246160 102.3864 4.930068 -9.163383      8.764269 
1 1 1 15 27 19 o 26.51205 7.428392 4.109729       6.107563      0.5205704      9.351563      7.700871       7.856731      24.37967 10.51953 28.64443 10.49112 -4.264761      14.85678 
1 1 1 15 27 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 27 21 o 59.50565 5.567820 37.64713       6.554596      33.40350       9.634944      41.89784       8.891070      55.79521 8.634204 63.21609 7.032284 -7.420879      11.13564 
1 1 1 15 27 22 f 25.49319 7.135674 3.003835       5.950995      8.650196       7.367898      -2.640400      9.344479      28.84757 10.19908 22.13880 9.982495 6.708763       14.27135 
1 1 1 15 27 23 o 96.63171 4.086232 97.19958       7.835476      105.7010       10.54885      88.69817       11.59027      101.2061 5.211566 92.05733 6.295137 9.148781       8.172464 
1 1 1 15 27 24 o 55.22138 6.669595 36.83949       6.728167      55.29466       9.224042      18.37724       9.797889      72.13219 6.393846 38.31057 11.70695 33.82162       13.33919 
1 1 1 15 27 25 o 30.03999 8.478140 8.593520       7.700871      7.204955       10.86057      9.975000       10.92433      29.02268 11.83546 31.05731 12.14237 -2.034630      16.95628 
1 1 1 15 27 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 27 27 o 81.14444 4.506744 71.76617       7.332476      76.30025       11.05893      67.19666       9.634944      83.45537 6.625657 78.83350 6.110945 4.621864       9.013489 
1 1 1 15 27 28 o 20.49061 6.296198 1.287257       4.947119      6.317265       7.849646      -3.742751      6.022548      24.89454 10.09341 16.08667 7.529384 8.807875       12.59240 
1 1 1 15 27 29 o 26.69956 6.737467 8.749379       4.848644      5.627233       7.474166      11.86657       6.176991      23.46435 9.726604 29.93477 9.325611 -6.470417      13.47493 
1 1 1 15 27 30 o 22.30809 6.229272 4.341393       4.635400      -0.9025675     7.057597      9.585353       6.011213      18.19002 8.373341 26.42617 9.225102 -8.236158      12.45854 
1 1 1 15 27 31 o 26.82918 6.945286 10.76138       5.175241      8.005506       7.991336      13.51726       6.578683      23.80745 9.974505 29.85090 9.667329 -6.043453      13.89057 
1 1 1 15 28 0  o 37.70722 11.89170 18.17887       7.856731      18.17887       7.856731      18.17887       7.856731      37.70722 11.89170 37.70722 11.89170 0.000000       0.000000 
1 1 1 15 28 1  o 83.48398 3.818359 70.54763       6.366147      74.59997       8.997337      66.50945       9.011506      85.90750 5.236643 81.06045 5.558510 4.847054       7.636718 
1 1 1 15 28 2  o 72.98212 4.204279 54.38076       6.082767      63.44186       8.721042      45.31258       8.487252      79.17872 5.507188 66.78551 6.354112 12.39321       8.408559 
1 1 1 15 28 3  o 46.51820 6.296472 22.98926       5.707288      28.40183       8.189702      17.56960       7.948828      52.67230 7.774202 40.36411 9.906767 12.30819       12.59294 
1 1 1 15 28 4  o 29.12942 7.370781 7.601687       5.500420      9.592437       7.807138      5.607396       7.750463      31.17414 10.53387 27.08470 10.31267 4.089441       14.74156 
1 1 1 15 28 5  o 148.6677 2.954483 222.5956       8.784801      227.1297       12.49000      217.9906       12.35540      150.1990 4.157820 147.1364 4.198622 3.062576       5.908967 
1 1 1 15 28 6  o 37.95901 7.843492 15.73471       6.704079      7.587519       7.962997      23.88191       10.78972      29.18867 10.57437 46.72935 11.58725 -17.54068      15.68698 
1 1 1 15 28 7  o 68.81219 6.314124 49.01778       8.657280      52.77966       12.00826      45.25590       12.46875      71.58907 8.386935 66.03531 9.440973 5.553764       12.62825 
1 1 1 15 28 8  o 38.02596 8.267957 15.06877       7.190785      9.783719       10.56302      20.35382       9.748297      32.98211 12.15624 43.06981 11.20992 -10.08770      16.53591 
1 1 1 15 28 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 28 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 28 11 o 77.54512 4.801892 61.69198       7.445828      60.92685       10.54885      62.45711       10.51342      77.04840 6.845597 78.04185 6.735761 -0.9934464     9.603785 
1 1 1 15 28 12 o 76.10264 4.525126 59.26908       6.882609      63.21515       9.911241      55.32300       9.557014      78.66447 6.299693 73.54081 6.497763 5.123657       9.050252 
1 1 1 15 28 13 o 17.79668 5.936099 -12.51834      5.839768      -1.821430      8.366816      -23.21597      8.154280      21.95048 9.698586 13.64287 6.847372 8.307603       11.87220 
1 1 1 15 28 14 o 70.82095 4.497521 51.46902       6.354104      46.92076       8.926493      56.02437       9.046929      67.61884 6.600595 74.02307 6.110885 -6.404228      8.995042 
1 1 1 15 28 15 o 62.27526 4.919593 40.01336       6.127400      39.75123       8.480167      40.27548       8.848563      62.10681 6.827085 62.44372 7.085231 -0.3369102     9.839187 
1 1 1 15 28 16 o 31.39478 7.518004 9.875818       5.779550      12.89382       7.800055      6.858521       8.529759      34.32820 10.43659 28.46135 10.82401 5.866850       15.03601 
1 1 1 15 28 17 o 58.86535 5.421790 36.22314       6.399445      34.87708       8.133026      37.57628       9.882903      57.97523 7.014226 59.75547 8.269454 -1.780247      10.84358 
1 1 1 15 28 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 28 19 o 50.14205 12.43590 30.07378       12.42624      30.07378       12.42624      ?              ?             50.14205 12.43590 ?        ?        ?              ?        
1 1 1 15 28 20 o 46.36469 7.671419 24.90208       7.042011      21.88408       8.876901      27.92717       10.93141      43.75556 10.30246 48.97383 11.36934 -5.218273      15.34284 
1 1 1 15 28 21 f 28.59174 7.763006 4.607770       7.169532      16.53526       10.86057      -7.318307      9.358648      37.32481 12.42418 19.85866 9.311116 17.46615       15.52601 
1 1 1 15 28 22 o 39.77766 10.64956 0.000000       0.000000      ?              ?             18.88024       8.643111      ?        ?        39.77766 10.64956 ?              ?        
1 1 1 15 28 23 o 57.32046 6.529666 38.72398       7.268716      52.70882       11.45567      24.74622       8.954830      69.01933 8.298882 45.62159 10.08339 23.39774       13.05933 
1 1 1 15 28 24 f 38.61791 8.279696 19.79414       7.112856      17.05243       10.65512      22.54293       9.422408      35.50434 12.29273 41.73148 11.09515 -6.227146      16.55939 
1 1 1 15 28 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 28 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 28 27 o 21.97520 6.598415 3.304928       5.071806      3.271630       6.628275      3.337516       7.679617      21.51432 9.052123 22.43608 9.602883 -0.9217510     13.19683 
1 1 1 15 28 28 o 26.45934 7.428218 9.224042       5.893611      10.67637       9.280719      7.764632       7.261631      27.80344 11.09532 25.11524 9.879652 2.688194       14.85644 
1 1 1 15 28 29 o 26.49164 7.333680 6.696286       8.210957      1.542299       15.28131      11.85240       6.013339      23.84683 11.40443 29.13645 9.223359 -5.289621      14.66736 
1 1 1 15 28 30 o 20.24915 6.856041 2.375439       7.885069      6.356230       14.31073      -1.605352      6.611980      23.69720 11.22990 16.80111 7.868332 6.896090       13.71208 
1 1 1 15 29 0  o 82.00797 6.820898 69.39285       11.03768      69.39285       11.03768      69.39285       11.03768      82.00797 6.820898 82.00797 6.820898 0.000000       0.000000 
1 1 1 15 29 1  o 119.2318 3.725912 144.4533       8.855647      157.4888       12.52543      131.3470       12.52543      124.7132 5.021695 113.7505 5.505657 10.96263       7.451824 
1 1 1 15 29 2  o 96.78403 8.433906 101.5920       17.05952      120.2951       31.28523      82.88886       13.61644      103.8327 15.06520 89.73531 7.587005 14.09743       16.86781 
1 1 1 15 29 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 29 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 29 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 29 6  o 36.40137 13.29861 12.87257       12.61753      12.87257       12.61753      ?              ?             36.40137 13.29861 ?        ?        ?              ?        
1 1 1 15 29 7  o 89.12936 4.487002 81.47195       7.998421      89.47746       11.78155      73.39561       10.83223      93.55554 6.296556 84.70319 6.394228 8.852356       8.974005 
1 1 1 15 29 8  f 101.5667 4.185934 105.1342       8.494337      104.0007       12.82298      106.2678       11.14395      100.8734 6.355978 102.2600 5.448828 -1.386673      8.371868 
1 1 1 15 29 9  o 29.42151 7.993198 6.823099       6.625441      7.360813       8.883986      6.285384       9.833311      29.48057 11.09245 29.36246 11.51184 0.1181068      15.98640 
1 1 1 15 29 10 o 61.27856 5.330971 39.21281       6.417865      47.99052       9.174451      30.43509       8.976085      68.42016 6.704494 54.13697 8.290162 14.28319       10.66194 
1 1 1 15 29 11 o 93.94812 3.781624 89.90253       7.098687      83.66816       9.960832      96.06606       10.10961      90.66079 5.493462 97.23545 5.198519 -6.574661      7.563248 
1 1 1 15 29 12 o 43.96153 6.713136 20.97017       5.858896      25.76639       8.175533      16.16687       8.395153      49.69830 8.225164 38.22477 10.61185 11.47353       13.42627 
1 1 1 15 29 13 o 91.04307 3.823291 84.58914       6.958413      79.20491       9.649114      90.04422       10.03168      88.10185 5.476113 93.98428 5.336891 -5.882431      7.646582 
1 1 1 15 29 14 o 72.00782 4.361950 53.28975       6.286801      52.01453       8.586436      54.55787       9.181536      71.19117 6.030549 72.82447 6.303880 -1.633301      8.723900 
1 1 1 15 29 15 o 27.91594 7.600235 5.922657       6.160697      8.614774       8.026759      3.229123       9.344479      29.64526 10.62874 26.18663 10.86665 3.458628       15.20047 
1 1 1 15 29 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 29 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 29 18 o 33.16014 7.981441 11.75322       6.483750      14.79247       8.777717      8.721042       9.542846      35.98888 11.09776 30.33140 11.47403 5.657480       15.96288 
1 1 1 15 29 19 f 71.00703 4.829874 53.14097       6.847187      51.53278       9.975000      54.74207       9.386987      69.76166 7.149343 72.25240 6.495968 -2.490746      9.659747 
1 1 1 15 29 20 o 54.83663 5.786135 32.56044       6.339935      32.73047       8.487252      32.39042       9.422408      55.22796 7.683837 54.44531 8.653095 0.7826500      11.57227 
1 1 1 15 29 21 o 23.42256 6.730766 -0.8189703     5.926199      9.691620       7.828392      -11.33523      8.905238      29.41586 10.50155 17.42926 8.422008 11.98660       13.46153 
1 1 1 15 29 22 o 41.90914 7.635596 21.18979       6.508547      23.76147       8.706873      18.62520       9.677451      44.96450 9.946747 38.85379 11.58756 6.110706       15.27119 
1 1 1 15 29 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 29 24 o 18.29232 6.116083 -6.034592      5.911322      -4.549677      7.814223      -7.516674      8.869816      18.27974 8.559557 18.30490 8.738414 -0.2515221E-01 12.23217 
1 1 1 15 29 25 o 28.92062 7.501015 10.55593       5.932575      14.70037       8.196787      6.406529       8.579351      32.71123 10.79353 25.13000 10.41924 7.581223       15.00203 
1 1 1 15 29 26 o 56.82014 6.708391 41.21064       7.169532      29.23781       10.13795      53.17639       10.13086      45.90726 11.13920 67.73302 7.478523 -21.82576      13.41678 
1 1 1 15 29 27 o 18.16205 6.070165 -4.196868      5.870940      -4.401611      8.487252      -3.992126      8.111773      18.26711 8.652669 18.05699 8.515805 0.2101173      12.14033 
1 1 1 15 29 28 o 22.99660 6.886640 5.890777       5.592519      1.690366       7.467082      10.08835       8.324308      19.85620 8.940003 26.13699 10.47758 -6.280787      13.77328 
1 1 1 15 29 29 o 41.96572 6.854835 26.88575       5.752628      19.26989       7.601687      34.50869       8.643111      34.53352 10.26397 49.39791 9.088783 -14.86439      13.70967 
1 1 1 15 30 0  o 95.14819 5.499823 92.16957       10.39299      92.16957       10.39299      92.16957       10.39299      95.14819 5.499823 95.14819 5.499823 0.000000       0.000000 
1 1 1 15 30 1  f 61.64038 5.384625 39.24114       6.612689      42.16705       9.181536      36.31524       9.521592      64.04877 7.167612 59.23198 8.037543 4.816792       10.76925 
1 1 1 15 30 2  o 80.81116 4.360747 66.67240       7.049803      68.64898       10.16628      64.68873       9.769550      82.00307 6.198721 79.61924 6.135170 2.383835       8.721494 
1 1 1 15 30 3  o 47.61102 6.816811 24.60453       6.278300      22.54293       8.600604      26.67321       9.153197      45.52282 9.730710 49.69922 9.549289 -4.176399      13.63362 
1 1 1 15 30 4  o 88.72998 4.047062 80.19674       7.183701      76.15857       9.939578      84.23491       10.37173      86.48838 5.746193 90.97157 5.700536 -4.483192      8.094124 
1 1 1 15 30 5  o 48.63734 6.869228 25.67429       6.452579      24.48409       8.770633      26.85741       9.464915      47.53674 9.561258 49.73796 9.865471 -2.201221      13.73846 
1 1 1 15 30 6  o 38.84092 7.002568 16.51401       6.038843      27.07702       8.869816      5.941785       8.196787      50.14147 9.187238 27.54036 10.57064 22.60111       14.00514 
1 1 1 15 30 7  o 37.94664 7.429717 15.86224       5.932575      19.88624       8.621859      11.83823       8.154280      42.47613 10.25130 33.41714 10.75702 9.058990       14.85943 
1 1 1 15 30 8  o 48.95033 6.499857 25.95767       6.196828      32.08578       9.011506      19.83665       8.508506      55.50846 8.117237 42.39219 10.15397 13.11628       12.99971 
1 1 1 15 30 9  f 44.78014 6.934028 21.97617       6.221623      28.86941       8.664365      15.08294       8.933578      52.56821 8.241070 36.99207 11.15382 15.57614       13.86806 
1 1 1 15 30 10 o 33.36051 7.545088 11.86657       5.783092      14.82790       8.288886      8.898154       8.069265      36.61454 10.67022 30.10648 10.67052 6.508060       15.09018 
1 1 1 15 30 11 o 44.65409 6.694459 22.19580       5.989960      31.29231       8.664365      13.09219       8.274716      54.71601 7.917578 34.59218 10.79699 20.12383       13.38892 
1 1 1 15 30 12 o 36.81983 8.132239 14.44533       7.061847      20.43175       9.429493      8.458915       10.52051      42.48074 11.01041 31.15892 11.97097 11.32181       16.26448 
1 1 1 15 30 13 f 63.91040 5.726295 43.17305       7.332476      41.01936       9.840395      45.31966       10.86765      62.40644 7.884118 65.41436 8.306777 -3.007915      11.45259 
1 1 1 15 30 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 30 15 o 76.99286 4.659401 61.90452       7.141194      56.77533       10.28672      67.03371       9.911241      73.60130 6.988137 80.38441 6.164903 -6.783104      9.318803 
1 1 1 15 30 16 o 27.51270 7.461526 6.661572       5.764672      6.008380       7.962997      7.318307       8.338477      26.77058 10.38717 28.25483 10.71467 -1.484247      14.92305 
1 1 1 15 30 17 o 72.44353 4.547605 54.99002       6.589310      54.71373       8.976085      55.25924       9.649114      72.38010 6.200657 72.50696 6.653923 -0.1268539     9.095210 
1 1 1 15 30 18 o 29.48938 7.194555 8.218040       5.717914      15.21754       8.012589      1.217829       8.161365      36.07020 10.48421 22.90855 9.855350 13.16165       14.38911 
1 1 1 15 30 19 o 23.22621 6.877662 1.307094       5.748378      6.840810       7.778800      -4.226623      8.465999      26.64603 10.28127 19.80638 9.138071 6.839655       13.75532 
1 1 1 15 30 20 o 25.14019 7.453061 3.737791       6.320807      2.583724       8.480167      4.891151       9.372816      23.92034 10.15975 26.36004 10.90742 -2.439701      14.90612 
1 1 1 15 30 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 30 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 30 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 30 24 o 21.37227 6.894235 -1.659194      6.871274      1.402026       7.715039      -4.720414      11.37065      21.21002 9.349788 21.53452 10.13427 -0.3244915     13.78847 
1 1 1 15 30 25 o 23.16529 7.565731 4.399486       8.331393      0.5017255E-01  6.380316      8.749379       15.38757      18.48900 8.296740 27.84157 12.65406 -9.352568      15.13146 
1 1 1 15 30 26 o 32.33377 7.984591 17.14453       6.579392      12.70254       6.811764      21.59361       11.25730      29.82463 9.839464 34.84291 12.57775 -5.018284      15.96918 
1 1 1 15 30 27 o 18.38751 6.090790 -1.359519      5.598186      -1.717287      7.339560      -1.001042      8.458915      17.74000 8.304794 19.03502 8.911862 -1.295017      12.18158 
1 1 1 15 31 0  o 18.03011 11.26139 2.777839       8.076350      2.777839       8.076350      2.777839       8.076350      18.03011 11.26139 18.03011 11.26139 0.000000       0.000000 
1 1 1 15 31 1  o 36.64823 7.267605 14.63661       5.817806      8.735210       8.182618      20.54510       8.274716      30.08006 10.73673 43.21640 9.797698 -13.13634      14.53521 
1 1 1 15 31 2  o 63.39462 5.036959 41.55070       6.384568      43.30058       9.131943      39.79374       8.926493      64.75351 7.051311 62.03572 7.194639 2.717793       10.07392 
1 1 1 15 31 3  o 93.54120 3.886799 89.54830       7.261631      79.91336       9.975000      99.11240       10.55593      88.46308 5.637946 98.61931 5.351859 -10.15623      7.773598 
1 1 1 15 31 4  o 38.08734 7.530887 16.06060       6.155738      10.78264       8.565183      21.33857       8.841478      32.31480 11.03342 43.85988 10.25284 -11.54508      15.06177 
1 1 1 15 31 5  o 25.71878 7.065013 2.166445       5.906363      10.18045       8.048012      -5.849687      8.650196      31.42626 10.69514 20.01130 9.234265 11.41496       14.13003 
1 1 1 15 31 6  o 60.50176 5.868869 38.71689       7.155363      45.73056       11.17937      31.70322       8.940661      65.96860 8.473251 55.03492 8.122716 10.93367       11.73774 
1 1 1 15 31 7  o 25.76853 7.556578 2.948576       6.418573      2.486666       9.719957      3.410487       8.388069      26.14254 10.97885 25.39452 10.38616 0.7480164      15.11316 
1 1 1 15 31 8  o 55.39866 7.592727 34.28907       8.147196      31.60404       10.42133      36.98118       12.52543      53.47571 10.11228 57.32161 11.32871 -3.845905      15.18545 
1 1 1 15 31 9  o 27.64668 7.789869 3.375064       7.042011      -4.893277      9.599521      11.64695       10.30797      21.64145 9.879407 33.65191 12.04681 -12.01045      15.57974 
1 1 1 15 31 10 o 56.52990 9.916957 36.10979       13.56685      16.98159       23.21597      55.23799       14.04151      41.78094 17.21533 71.27886 9.849705 -29.49792      19.83391 
1 1 1 15 31 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 31 12 o 27.14389 7.223794 0.2959203      6.837976      13.63061       8.480167      -13.04260      10.73304      34.66986 10.95076 19.61793 9.424100 15.05194       14.44759 
1 1 1 15 31 13 o 45.59572 6.525669 24.22905       6.060805      9.953747       8.097604      38.49727       9.018591      30.74232 10.70939 60.44912 7.459655 -29.70680      13.05134 
1 1 1 15 31 14 o 57.90937 5.448342 35.99643       6.193285      42.75507       8.614774      29.23781       8.898154      63.80395 6.750973 52.01479 8.553485 11.78916       10.89668 
1 1 1 15 31 15 o 24.77666 7.108739 3.066888       5.779550      -2.206119      7.970083      8.338477       8.373900      20.57491 9.251395 28.97841 10.79576 -8.403507      14.21748 
1 1 1 15 31 16 o 28.20489 7.526438 7.587519       5.935409      4.085641       8.125941      11.08727       8.650196      24.91401 10.21161 31.49577 11.05948 -6.581753      15.05288 
1 1 1 15 31 17 o 26.38420 7.375476 5.859605       5.898569      8.671450       8.019674      3.049885       8.650196      28.48734 10.57446 24.28106 10.28452 4.206278       14.75095 
1 1 1 15 31 18 o 30.38118 7.913853 9.790804       6.507838      13.75813       9.316141      5.825599       9.089437      33.93553 11.50695 26.82683 10.86768 7.108704       15.82771 
1 1 1 15 31 19 o 26.37344 12.99118 -9.847479      23.90316      -9.847479      23.90316      ?              ?             26.37344 12.99118 ?        ?        ?              ?        
1 1 1 15 31 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 31 21 o 34.98571 8.520241 15.79847       8.147196      4.446952       11.38482      27.14787       11.66112      26.16691 11.44971 43.80452 12.62070 -17.63761      17.04048 
1 1 1 15 31 22 o 21.21987 6.692101 -0.1415487     6.081350      3.157570       7.034926      -3.440950      9.918325      21.75092 9.246413 20.68883 9.676814 1.062084       13.38420 
1 1 1 15 31 23 o 22.98442 6.689315 4.299594       5.194368      8.225125       7.134109      0.3712996      7.552096      25.89953 9.884574 20.06932 9.015706 5.830215       13.37863 
1 1 1 15 31 24 o 30.96621 7.527808 13.97775       5.664781      15.08294       7.948828      12.87257       8.076350      32.15966 10.62902 29.77275 10.66281 2.386909       15.05562 
1 1 1 15 31 25 o 29.17563 7.457811 13.22680       5.625815      11.65403       7.112856      14.79247       8.721042      28.08383 10.01171 30.26742 11.05629 -2.183588      14.91562 
1 1 1 15 31 26 o 22.49122 6.760221 6.662281       5.341018      5.185159       6.610563      8.140111       8.388069      21.21280 8.988068 23.76965 10.10035 -2.556852      13.52044 
1 1 1 15 32 0  o 17.83253 11.21298 2.524214       8.175533      2.524214       8.175533      2.524214       8.175533      17.83253 11.21298 17.83253 11.21298 0.000000       0.000000 
1 1 1 15 32 1  o 37.72550 7.350728 15.79847       6.085601      22.83340       8.593520      8.763549       8.621859      45.32123 9.759822 30.12977 10.99448 15.19145       14.70146 
1 1 1 15 32 2  o 91.38232 3.943847 85.79351       7.204955      93.51564       10.47092      78.07139       9.897071      95.54240 5.479723 87.22224 5.673479 8.320152       7.887695 
1 1 1 15 32 3  o 49.52163 6.812905 27.20455       6.644569      33.82149       10.01751      20.58052       8.735210      56.32636 8.892381 42.71689 10.32416 13.60947       13.62581 
1 1 1 15 32 4  o 50.80345 8.030746 29.58495       7.977167      30.13046       10.49926      29.03235       12.01534      51.72242 10.51521 49.88449 12.14091 1.837929       16.06149 
1 1 1 15 32 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 32 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 32 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 32 8  o 44.16257 7.738659 23.18054       7.148279      12.83715       9.245295      33.52394       10.90307      33.96268 11.46311 54.36247 10.39926 -20.39978      15.47732 
1 1 1 15 32 9  o 40.81955 7.248380 19.06444       6.347020      28.46559       8.954830      9.656199       8.997337      50.73503 9.160389 30.90408 11.23580 19.83095       14.49676 
1 1 1 15 32 10 o 58.33246 5.370698 36.00352       6.261296      34.62912       8.855647      37.37791       8.855647      57.15439 7.747128 59.51053 7.440404 -2.356140      10.74140 
1 1 1 15 32 11 o 48.77135 6.627748 26.74405       6.279717      32.34082       8.777717      21.14729       8.983169      54.93404 7.989325 42.60865 10.57728 12.32539       13.25550 
1 1 1 15 32 12 o 66.13921 5.048913 46.38234       6.647403      50.03795       9.181536      42.72673       9.613690      68.99163 6.654093 63.28679 7.595338 5.704838       10.09783 
1 1 1 15 32 13 o 34.58337 7.576267 13.82190       5.992085      8.834394       8.225125      18.80939       8.713958      29.25470 10.73234 39.91204 10.69655 -10.65734      15.15253 
1 1 1 15 32 14 o 30.76207 7.700862 10.59844       5.994919      12.64586       8.317224      8.551013       8.636027      32.72826 10.87253 28.79588 10.90877 3.932381       15.40172 
1 1 1 15 32 15 o 44.66531 8.060744 24.80290       7.360813      29.27323       9.854564      20.32548       10.93850      49.56330 10.28553 39.76733 12.41412 9.795967       16.12149 
1 1 1 15 32 16 o 35.54652 8.766505 15.58594       7.792970      10.15211       9.783719      21.01976       12.12869      30.72960 11.61991 40.36345 13.12951 -9.633854      17.53301 
1 1 1 15 32 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 32 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 32 19 o 56.69507 6.517826 38.60354       7.212039      44.75290       10.68345      32.44709       9.691620      62.01850 8.613118 51.37164 9.784804 10.64686       13.03565 
1 1 1 15 32 20 o 21.70018 6.654806 2.251460       5.433825      3.870981       7.119940      0.6322224      8.210957      22.32925 9.387803 21.07110 9.434772 1.258152       13.30961 
1 1 1 15 32 21 o 19.10689 6.164363 -1.270962      5.248210      -0.8791887     7.119940      -1.662028      7.715039      18.99493 8.626410 19.21885 8.808096 -0.2239189     12.32873 
1 1 1 15 32 22 o 29.66656 7.287407 12.34123       5.305595      12.29872       7.240376      12.38374       7.757547      29.73812 10.14431 29.59500 10.46509 0.1431236      14.57481 
1 1 1 15 32 23 o 22.81831 6.736867 5.833392       5.128483      5.474207       7.062556      6.193285       7.438744      22.45714 9.390967 23.17949 9.661845 -0.7223454     13.47373 
1 1 1 15 32 24 o 21.02289 6.465708 3.370814       5.267339      7.771716       7.481250      -1.027964      7.417490      23.90922 9.798695 18.13657 8.438428 5.772646       12.93142 
1 1 1 15 33 0  o 23.34964 14.07802 7.282885       11.69654      7.282885       11.69654      7.282885       11.69654      23.34964 14.07802 23.34964 14.07802 0.000000       0.000000 
1 1 1 15 33 1  o 37.42646 8.533323 15.54343       8.133026      2.845142       10.06710      28.23889       12.78755      26.36271 11.12698 48.49021 12.94067 -22.12750      17.06665 
1 1 1 15 33 2  o 34.95113 8.230310 13.61644       6.875525      9.110690       9.139028      18.11511       10.27255      30.47999 11.29347 39.42226 11.97537 -8.942270      16.46062 
1 1 1 15 33 3  o 47.38365 7.311617 25.23505       6.876941      29.28031       9.075267      21.19688       10.33631      52.24614 8.685108 42.52116 11.76469 9.724976       14.62323 
1 1 1 15 33 4  o 25.23758 7.350642 2.303885       6.320807      -4.040300      8.373900      8.650196       9.472000      20.27285 9.246251 30.20230 11.42955 -9.929447      14.70128 
1 1 1 15 33 5  o 59.18073 6.626308 38.79482       7.445828      32.51085       11.17937      45.07879       9.840395      53.11974 10.89760 65.24171 7.541491 -12.12197      13.25262 
1 1 1 15 33 6  o 54.76604 6.495349 33.32557       6.775633      28.01927       10.23713      38.63188       8.876901      49.15494 10.71065 60.37713 7.351211 -11.22219      12.99070 
1 1 1 15 33 7  o 27.98547 7.119420 3.719372       6.332142      16.88241       9.202788      -9.443663      8.699788      37.82945 11.30342 18.14150 8.658944 19.68795       14.23884 
1 1 1 15 33 8  f 35.80059 7.790360 14.78539       6.322932      19.27697       8.919409      10.29380       8.961915      40.49781 10.80760 31.10337 11.22295 9.394438       15.58072 
1 1 1 15 33 9  o 42.34370 7.477352 21.11895       6.427074      26.29773       9.068183      15.93308       9.110690      47.95882 9.792892 36.72858 11.30232 11.23024       14.95470 
1 1 1 15 33 10 o 17.86537 6.000761 -8.359732      5.853229      -9.486169      8.593520      -7.240376      7.948828      17.85669 8.542714 17.87405 8.429622 -0.1736259E-01 12.00152 
1 1 1 15 33 11 o 19.84889 6.651774 -8.260548      7.039177      -9.620775      9.330310      -6.896778      10.54176      18.62408 8.907818 21.07370 9.881052 -2.449619      13.30355 
1 1 1 15 33 12 f 27.63087 7.831085 3.885150       7.396237      12.68837       9.670367      -4.915238      11.20062      32.71804 11.67269 22.54370 10.44279 10.17434       15.66217 
1 1 1 15 33 13 o 48.58537 8.333631 29.80457       8.210957      20.14128       10.49926      39.46076       12.63170      40.10548 12.09162 57.06527 11.47128 -16.95979      16.66726 
1 1 1 15 33 14 o 22.54615 7.335424 -9.953747      8.317224      -30.88850      10.71179      10.98809       12.73796      14.65464 7.409140 30.43767 12.66248 -15.78302      14.67085 
1 1 1 15 33 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 33 16 o 48.57889 7.299198 31.15771       7.037760      38.95068       9.847479      23.36474       10.05293      56.88663 8.655356 40.27114 11.75576 16.61548       14.59840 
1 1 1 15 33 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 33 18 o 73.03639 4.479148 58.90777       6.536885      59.65164       8.905238      58.16389       9.571183      73.81959 6.031759 72.25319 6.623365 1.566399       8.958297 
1 1 1 15 33 19 o 29.10416 7.438219 10.95975       5.749794      13.84315       7.672533      8.083434       8.572267      31.90826 10.44266 26.30006 10.59524 5.608202       14.87644 
1 1 1 15 33 20 o 22.34158 6.557001 3.414029       5.202161      8.600604       7.022882      -1.770421      7.679617      25.89780 9.829556 18.78537 8.680833 7.112431       13.11400 
1 1 1 15 33 21 o 27.62249 6.500910 9.004422       5.176658      18.47642       7.197870      -0.4611312     7.438744      36.37811 9.709008 18.86688 8.647688 17.51123       13.00182 
1 1 1 15 33 22 o 15.32478 5.261410 -7.686701      5.115022      -4.623356      7.072474      -10.75430      7.389152      16.22289 7.758418 14.42667 7.108915 1.796221       10.52282 
1 1 1 15 33 23 o 16.43560 5.544454 -3.742042      5.081016      -8.380984      6.823808      0.8968999      7.530843      14.16313 6.967600 18.70807 8.626495 -4.544945      11.08891 
1 1 1 15 34 0  o 13.85032 9.633498 -5.926908      9.032760      -5.926908      9.032760      -5.926908      9.032760      13.85032 9.633498 13.85032 9.633498 0.000000       0.000000 
1 1 1 15 34 1  o 67.42108 5.804283 49.92460       7.792970      62.50670       11.88074      37.34249       10.08127      76.30797 7.784729 58.53419 8.611436 17.77378       11.60857 
1 1 1 15 34 2  o 23.07777 7.292075 -2.052385      6.998086      1.533090       9.684536      -5.638568      10.10252      24.72264 10.68680 21.43290 9.924200 3.289743       14.58415 
1 1 1 15 34 3  o 85.29179 5.094128 78.00054       8.628942      90.68183       12.48292      65.32634       11.91616      92.59519 6.740588 77.98839 7.639701 14.60680       10.18826 
1 1 1 15 34 4  o 28.54760 7.695522 5.829850       6.816014      -3.205745      9.542846      14.86332       9.734127      21.80929 9.926433 35.28592 11.76223 -13.47662      15.39104 
1 1 1 15 34 5  o 19.64480 6.492175 -7.080267      6.484459      -3.114354      8.465999      -11.04476      9.826226      20.47919 9.328676 18.81041 9.031565 1.668781       12.98435 
1 1 1 15 34 6  o 22.85835 7.143299 -0.7417490     6.602770      2.689991       8.643111      -4.173490      9.982086      24.07991 10.24307 21.63679 9.959231 2.443125       14.28660 
1 1 1 15 34 7  o 29.12552 8.246446 4.881233       8.288886      13.16303       9.861650      -3.398443      13.31889      33.15572 11.79170 25.09532 11.53132 8.060396       16.49289 
1 1 1 15 34 8  o 24.85234 7.665304 -0.6424949     7.679617      6.619773       10.14503      -7.906322      11.53359      27.98696 11.43030 21.71772 10.21645 6.269245       15.33061 
1 1 1 15 34 9  o 36.94671 8.893385 16.47859       8.196787      21.23938       10.86057      11.71779       12.27038      41.03263 12.28320 32.86079 12.86438 8.171837       17.78677 
1 1 1 15 34 10 o 40.75177 9.001643 21.45192       8.416408      25.54677       11.08019      17.36415       12.66712      44.73240 12.09489 36.77113 13.33537 7.961269       18.00329 
1 1 1 15 34 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 34 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 34 13 o 41.73773 8.310662 26.00018       7.261631      22.61378       9.819141      29.37949       10.71179      38.88422 11.68741 44.59125 11.81833 -5.707027      16.62132 
1 1 1 15 34 14 o 29.05626 8.228364 9.854564       7.289969      12.73088       11.11561      6.977541       9.436578      31.42441 12.25593 26.68812 10.98254 4.736294       16.45673 
1 1 1 15 34 15 o 25.95023 7.450930 5.335350       6.718248      13.68020       9.209873      -3.009503      9.783719      31.26709 11.36774 20.63336 9.635345 10.63373       14.90186 
1 1 1 15 34 16 o 25.06363 7.213913 6.374650       5.702329      4.462538       7.736294      8.288886       8.380984      23.36135 9.802025 26.76591 10.58690 -3.404564      14.42783 
1 1 1 15 34 17 o 17.89556 5.932049 -4.039592      5.389901      -7.545012      7.318307      -0.5320473     7.913406      15.93214 7.684726 19.85898 9.038906 -3.926838      11.86410 
1 1 1 15 34 18 o 41.98603 6.901332 23.65520       5.715081      26.05686       7.792970      21.25355       8.359732      45.16169 8.945992 38.81038 10.51108 6.351307       13.80266 
1 1 1 15 34 19 o 21.57194 6.603141 3.934033       5.285758      1.263170       7.056888      6.604187       7.870899      19.47698 8.733168 23.66689 9.906446 -4.189907      13.20628 
1 1 1 15 34 20 o 15.62917 5.324896 -5.952412      4.971206      -4.704828      6.577267      -7.197870      7.452912      15.61446 7.470892 15.64387 7.589721 -0.2941418E-01 10.64979 
1 1 1 15 34 21 o 22.00613 6.621721 5.822765       5.254587      8.813140       7.212039      2.833099       7.644195      24.09860 9.714211 19.91367 9.001268 4.184925       13.24344 
1 1 1 15 35 0  o 75.00462 7.429563 60.04837       10.94558      60.04837       10.94558      60.04837       10.94558      75.00462 7.429563 75.00462 7.429563 0.000000       0.000000 
1 1 1 15 35 1  o 22.58477 7.180082 -2.340725      6.920866      -7.019340      9.514507      2.337891       10.05293      19.91476 9.346547 25.25479 10.90213 -5.340034      14.36016 
1 1 1 15 35 2  o 26.77967 8.151299 3.700243       7.927575      0.7870899      9.549930      6.613398       12.65295      23.84216 10.45909 29.71717 12.50529 -5.875006      16.30260 
1 1 1 15 35 3  o 26.58804 8.399533 0.8798972      9.231127      -9.054014      10.19462      10.81806       15.39466      19.87815 9.447603 33.29792 13.89070 -13.41977      16.79907 
1 1 1 15 35 4  o 23.87847 7.721922 -3.418988      8.373900      -11.18645      10.82514      4.352019       12.78047      19.70233 9.464596 28.05462 12.20384 -8.352291      15.44384 
1 1 1 15 35 5  o 28.93311 8.854664 7.459997       9.535762      11.66820       13.54560      3.251793       13.41808      31.12470 13.00988 26.74152 12.01513 4.383177       17.70933 
1 1 1 15 35 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 35 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 35 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 35 9  o 19.20324 6.595678 -11.06602      8.140111      -19.14237      11.49817      -2.990375      11.53359      17.00167 8.468400 21.40481 10.11425 -4.403141      13.19136 
1 1 1 15 35 10 o 20.14885 6.706207 -5.892194      7.040594      -5.343852      9.153197      -6.441244      10.70471      19.55511 9.175882 20.74260 9.782435 -1.187494      13.41241 
1 1 1 15 35 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 35 12 o 28.71694 7.810218 10.37173       6.536176      12.43333       8.288886      8.317224       10.10961      30.33685 10.80844 27.09703 11.27721 3.239811       15.62044 
1 1 1 15 35 13 o 23.81702 7.079580 4.667989       5.748378      5.516714       7.778800      3.819972       8.465999      24.21914 9.969718 23.41490 10.05418 0.8042412      14.15916 
1 1 1 15 35 14 o 38.27887 7.144552 19.93583       5.981458      28.02635       8.388069      11.84531       8.529759      47.12716 9.228458 29.43058 10.90936 17.69658       14.28910 
1 1 1 15 35 15 o 25.97290 7.138644 8.104689       5.613772      2.456202       7.516674      13.75105       8.338477      21.13260 9.274727 30.81321 10.85451 -9.680611      14.27729 
1 1 1 15 35 16 o 24.79351 6.629987 4.923031       5.501128      15.23880       7.615856      -5.390610      7.941744      32.36147 10.39368 17.22554 8.233973 15.13593       13.25997 
1 1 1 15 35 17 o 35.41959 7.300883 18.72438       5.542927      15.70638       7.630026      21.74238       8.040927      32.21060 10.40916 38.62858 10.24016 -6.417984      14.60177 
1 1 1 15 35 18 o 25.08597 6.504921 6.351979       5.333225      17.30039       7.545012      -4.599269      7.537927      33.52071 10.27937 16.65124 7.974365 16.86947       13.00984 
1 1 1 15 35 19 o 24.14421 6.694013 8.345562       5.111480      1.935490       6.916615      14.74997       7.523758      18.82040 8.531691 29.46801 10.31744 -10.64761      13.38803 
1 1 1 15 36 0  o 67.89061 13.03465 58.36226       15.85515      58.36226       15.85515      58.36226       15.85515      67.89061 13.03465 67.89061 13.03465 0.000000       0.000000 
1 1 1 15 36 1  o 28.36042 8.732121 2.899693       10.25130      19.44700       14.75705      -13.64478      14.23280      35.35419 14.02788 21.36665 10.40280 13.98755       17.46424 
1 1 1 15 36 2  o 32.61417 8.819097 13.04260       8.869816      8.699788       14.65078      17.38541       9.996255      29.74036 13.00115 35.48798 11.91956 -5.747614      17.63819 
1 1 1 15 36 3  f 22.06685 7.023009 -0.3844059     6.541844      1.985790       9.429493      -2.754460      9.068183      23.50316 10.35108 20.63054 9.494515 2.872622       14.04602 
1 1 1 15 36 4  o 32.35465 7.987570 11.71779       7.360813      2.560345       11.20771      20.88516       9.557014      25.15501 11.15550 39.55429 11.43503 -14.39928      15.97514 
1 1 1 15 36 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 36 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 15 36 7  o 25.83810 8.581300 4.518506       11.15103      -2.638274      9.953747      11.67529       19.96417      20.94778 9.757532 30.72842 14.11897 -9.780643      17.16260 
1 1 1 15 36 8  o 47.74691 7.010568 29.20947       6.481626      32.55336       9.224042      25.85849       9.110690      51.16018 9.363436 44.33364 10.43639 6.826542       14.02114 
1 1 1 15 36 9  o 23.75409 7.124731 4.253545       5.931159      6.402279       8.324308      2.104102       8.451830      25.20850 10.33444 22.29967 9.810529 2.908834       14.24946 
1 1 1 15 36 10 o 21.78503 6.867245 1.428239       6.091268      3.812179       9.089437      -0.9564100     8.111773      23.56536 10.27158 20.00471 9.117610 3.560642       13.73449 
1 1 1 15 36 11 o 34.03036 7.967261 17.10203       6.329308      19.27697       9.450747      14.92708       8.423491      35.87484 11.58388 32.18587 10.94179 3.688965       15.93452 
1 1 1 15 36 12 o 32.46967 7.847788 15.67095       6.295302      19.92875       9.075267      11.41316       8.728126      36.53847 11.28774 28.40088 10.90587 8.137589       15.69558 
1 1 1 15 36 13 o 26.13781 7.539651 8.862731       6.431325      3.383566       8.586436      14.33906       9.578268      22.09925 9.786860 30.17637 11.47182 -8.077122      15.07930 
1 1 1 15 36 14 o 19.07444 6.283770 -1.168945      5.867398      -2.647484      7.630026      0.3093809      8.919409      17.82490 8.366478 20.32397 9.377904 -2.499065      12.56754 
1 1 1 15 36 15 f 37.91809 7.464142 21.97617       5.931159      20.19796       7.297054      23.76147       9.351563      37.63256 9.649718 38.20362 11.39020 -0.5710640     14.92828 
1 1 1 15 36 16 o 21.77760 6.632024 4.791259       5.540801      7.778800       6.940702      1.805135       8.636027      23.44316 9.496760 20.11203 9.259941 3.331121       13.26405 
1 1 1 15 37 0  o 17.32715 11.08222 3.263837       8.317224      3.263837       8.317224      3.263837       8.317224      17.32715 11.08222 17.32715 11.08222 0.000000       0.000000 
1 1 1 15 37 1  o 29.21216 7.291868 9.776634       6.128108      0.2689991E-01  8.402238      19.51785       8.919409      20.91154 9.445486 37.51278 11.11162 -16.60124      14.58374 
1 1 1 15 37 2  o 25.68575 7.514168 6.857105       6.366856      2.983290       8.359732      10.73304       9.606606      22.60921 9.852778 28.76230 11.34785 -6.153090      15.02834 
1 1 1 15 37 3  o 29.01681 7.506795 10.18754       6.231542      16.93908       8.579351      3.433157       9.039845      34.73933 11.01892 23.29429 10.19762 11.44504       15.01359 
1 1 1 15 37 4  o 23.16511 7.315439 2.331515       6.999504      8.012589       10.75430      -3.348852      8.961915      26.76528 11.40679 19.56494 9.162297 7.200336       14.63088 
1 1 1 15 37 5  o 23.29945 7.310830 3.298552       6.814599      6.086309       10.12378      0.5100144      9.124859      25.16261 10.90236 21.43628 9.743275 3.726324       14.62166 
1 1 1 15 37 6  o 24.66793 7.427016 6.265547       6.455412      6.692035       9.769550      5.839059       8.437660      25.23330 10.81658 24.10257 10.18056 1.130724       14.85403 
1 1 1 15 37 7  o 25.99844 7.552006 8.551013       6.344894      12.39791       9.975000      4.710496       7.842561      29.12178 11.54004 22.87509 9.744671 6.246693       15.10401 
1 1 1 15 37 8  o 24.44630 7.373073 6.149361       6.531926      12.68837       10.20879      -0.3862479     8.154280      29.04736 11.62021 19.84524 9.078524 9.202122       14.74615 
1 1 1 15 37 9  o 23.24964 7.012273 5.617314       5.759005      4.842268       7.991336      6.392360       8.288886      22.63768 9.745627 23.86161 10.08517 -1.223927      14.02455 
1 1 1 15 37 10 o 30.55010 6.998837 13.00717       5.754754      22.47209       8.133026      3.551468       8.147196      39.47198 10.22315 21.62822 9.561489 17.84377       13.99767 
1 1 1 15 37 11 o 28.95589 6.997212 11.58319       5.688159      20.11295       7.899237      3.052010       8.189702      36.75626 10.32296 21.15552 9.448830 15.60074       13.99442 
1 1 1 15 37 12 o 22.15630 6.711395 4.976165       5.489084      8.664365       7.686701      1.290091       7.835476      24.63106 9.987473 19.68155 8.967813 4.949514       13.42279 
1 1 1 15 37 13 o 20.49534 6.415266 3.408362       5.312680      -0.7792970     7.247461      7.594603       7.771716      17.77158 8.296618 23.21910 9.787169 -5.447519      12.83053 
1 1 1 15 38 0  o 24.34101 12.82495 11.78864       8.210957      11.78864       8.210957      11.78864       8.210957      24.34101 12.82495 24.34101 12.82495 0.000000       0.000000 
1 1 1 15 38 1  o 19.44698 6.282903 -0.7509589     5.609521      -5.592519      7.970083      4.091309       7.899237      17.00859 8.158556 21.88536 9.557063 -4.876768      12.56581 
1 1 1 15 38 2  o 46.08892 6.923141 29.33699       6.191161      28.63562       8.636027      30.03127       8.869816      45.55493 9.761112 46.62292 9.820399 -1.067986      13.84628 
1 1 1 15 38 3  o 27.46195 7.640334 11.38482       6.231542      10.74721       9.443663      12.02951       8.133026      26.79176 10.99943 28.13215 10.60714 -1.340393      15.28067 
1 1 1 15 38 4  o 37.16167 8.000465 22.06827       6.496503      23.33640       9.826226      20.79306       8.501422      37.52346 11.77653 36.79989 10.83250 0.7235680      16.00093 
1 1 1 15 38 5  o 21.06170 6.678310 2.893317       5.838351      0.1712328      7.481250      5.615897       8.969000      19.03090 8.701746 23.09249 10.13306 -4.061581      13.35662 
1 1 1 15 38 6  o 24.20887 7.057361 7.835476       5.530175      8.175533       7.849646      7.495420       7.785885      24.48062 10.03566 23.93713 9.925265 0.5434914      14.11472 
1 1 1 15 38 7  o 18.24847 5.992705 -5.628649      5.883692      5.080307       7.764632      -16.33690      8.841478      21.96398 9.532652 14.53297 7.264889 7.431016       11.98541 
1 1 1 15 38 8  o 19.94144 6.371498 1.048509       5.684617      6.080641       7.665448      -3.982916      8.395153      22.34558 9.580059 17.53730 8.402761 4.808277       12.74300 
1 1 1 15 38 9  o 19.31993 6.418439 -0.7304138E-01 6.351979      2.554677       9.018591      -2.700618      8.947746      20.44809 9.433167 18.19177 8.706365 2.256325       12.83688 
1 1 1 16 0  0  o 544.8564 8.254352 2971.955       89.90253      2971.955       89.90253      2971.955       89.90253      544.8564 8.254352 544.8564 8.254352 0.000000       0.000000 
1 1 1 16 0  1  o 183.8315 2.837918 338.2149       10.42841      338.2149       10.42841      338.2149       10.42841      183.8315 2.837918 183.8315 2.837918 0.000000       0.000000 
1 1 1 16 0  2  o 105.0023 2.900710 110.5185       6.081350      110.5185       6.081350      110.5185       6.081350      105.0023 2.900710 105.0023 2.900710 0.000000       0.000000 
1 1 1 16 0  3  o 33.43727 7.071993 12.56793       4.159320      12.56793       4.159320      12.56793       4.159320      33.43727 7.071993 33.43727 7.071993 0.000000       0.000000 
1 1 1 16 0  4  o 364.9393 4.154590 1332.598       30.31465      1332.598       30.31465      1332.598       30.31465      364.9393 4.154590 364.9393 4.154590 0.000000       0.000000 
1 1 1 16 0  5  o 80.53444 3.155407 65.16339       5.065430      65.16339       5.065430      65.16339       5.065430      80.53444 3.155407 80.53444 3.155407 0.000000       0.000000 
1 1 1 16 0  6  o 382.9301 4.323025 1467.204       33.09887      1467.204       33.09887      1467.204       33.09887      382.9301 4.323025 382.9301 4.323025 0.000000       0.000000 
1 1 1 16 0  7  o 62.39791 3.783511 39.36866       4.685700      39.36866       4.685700      39.36866       4.685700      62.39791 3.783511 62.39791 3.783511 0.000000       0.000000 
1 1 1 16 0  8  o 127.4133 2.791456 162.5897       7.105771      162.5897       7.105771      162.5897       7.105771      127.4133 2.791456 127.4133 2.791456 0.000000       0.000000 
1 1 1 16 0  9  o 670.7004 7.068318 4502.919       94.79085      4502.919       94.79085      4502.919       94.79085      670.7004 7.068318 670.7004 7.068318 0.000000       0.000000 
1 1 1 16 0  10 o 961.4307 9.957544 9259.465       191.4237      9259.465       191.4237      9259.465       191.4237      961.4307 9.957544 961.4307 9.957544 0.000000       0.000000 
1 1 1 16 0  11 o 583.6192 6.241017 3409.070       72.82884      3409.070       72.82884      3409.070       72.82884      583.6192 6.241017 583.6192 6.241017 0.000000       0.000000 
1 1 1 16 0  12 o 320.0754 3.871383 1025.130       24.77456      1025.130       24.77456      1025.130       24.77456      320.0754 3.871383 320.0754 3.871383 0.000000       0.000000 
1 1 1 16 0  13 o 217.2741 3.245954 472.4665       14.09819      472.4665       14.09819      472.4665       14.09819      217.2741 3.245954 217.2741 3.245954 0.000000       0.000000 
1 1 1 16 0  14 o 206.1689 3.147547 425.4253       12.97175      425.4253       12.97175      425.4253       12.97175      206.1689 3.147547 206.1689 3.147547 0.000000       0.000000 
1 1 1 16 0  15 o 138.3768 2.964793 191.7779       8.196787      191.7779       8.196787      191.7779       8.196787      138.3768 2.964793 138.3768 2.964793 0.000000       0.000000 
1 1 1 16 0  16 o 292.6373 4.185268 857.2267       24.48409      857.2267       24.48409      857.2267       24.48409      292.6373 4.185268 292.6373 4.185268 0.000000       0.000000 
1 1 1 16 0  17 o 20.64708 10.45387 6.312305       5.316930      6.312305       5.316930      6.312305       5.316930      20.64708 10.45387 20.64708 10.45387 0.000000       0.000000 
1 1 1 16 0  18 o 83.99244 3.405414 70.91602       5.700203      70.91602       5.700203      70.91602       5.700203      83.99244 3.405414 83.99244 3.405414 0.000000       0.000000 
1 1 1 16 0  19 o 200.8674 3.027673 403.8883       12.15703      403.8883       12.15703      403.8883       12.15703      200.8674 3.027673 200.8674 3.027673 0.000000       0.000000 
1 1 1 16 0  20 o 100.4515 3.091640 101.2378       6.198245      101.2378       6.198245      101.2378       6.198245      100.4515 3.091640 100.4515 3.091640 0.000000       0.000000 
1 1 1 16 0  21 o 106.0782 3.034217 112.8564       6.425658      112.8564       6.425658      112.8564       6.425658      106.0782 3.034217 106.0782 3.034217 0.000000       0.000000 
1 1 1 16 0  22 o 32.58130 7.864643 12.32706       4.439159      12.32706       4.439159      12.32706       4.439159      32.58130 7.864643 32.58130 7.864643 0.000000       0.000000 
1 1 1 16 0  23 o 116.8787 2.933586 136.9437       6.847895      136.9437       6.847895      136.9437       6.847895      116.8787 2.933586 116.8787 2.933586 0.000000       0.000000 
1 1 1 16 0  24 o 72.61994 3.642712 53.19056       5.262380      53.19056       5.262380      53.19056       5.262380      72.61994 3.642712 72.61994 3.642712 0.000000       0.000000 
1 1 1 16 0  25 o 115.9158 2.947966 134.7475       6.824516      134.7475       6.824516      134.7475       6.824516      115.9158 2.947966 115.9158 2.947966 0.000000       0.000000 
1 1 1 16 0  26 f 205.1016 3.558441 421.6705       14.58702      421.6705       14.58702      421.6705       14.58702      205.1016 3.558441 205.1016 3.558441 0.000000       0.000000 
1 1 1 16 0  27 o 68.47445 3.777762 47.40251       5.140526      47.40251       5.140526      47.40251       5.140526      68.47445 3.777762 68.47445 3.777762 0.000000       0.000000 
1 1 1 16 0  28 o 140.2622 2.901991 197.2330       8.133026      197.2330       8.133026      197.2330       8.133026      140.2622 2.901991 140.2622 2.901991 0.000000       0.000000 
1 1 1 16 0  29 o 20.40623 9.613738 6.205329       4.388858      6.205329       4.388858      6.205329       4.388858      20.40623 9.613738 20.40623 9.613738 0.000000       0.000000 
1 1 1 16 0  30 o 167.7480 3.002810 282.1055       10.06710      282.1055       10.06710      282.1055       10.06710      167.7480 3.002810 167.7480 3.002810 0.000000       0.000000 
1 1 1 16 0  31 o 309.7613 3.874545 962.7860       23.99526      962.7860       23.99526      962.7860       23.99526      309.7613 3.874545 309.7613 3.874545 0.000000       0.000000 
1 1 1 16 0  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  33 o 143.4296 3.174534 206.5845       9.096521      206.5845       9.096521      206.5845       9.096521      143.4296 3.174534 143.4296 3.174534 0.000000       0.000000 
1 1 1 16 0  34 o 37.85870 7.578725 16.11728       5.097310      16.11728       5.097310      16.11728       5.097310      37.85870 7.578725 37.85870 7.578725 0.000000       0.000000 
1 1 1 16 0  35 o 14.74472 9.065852 2.121105       5.060471      2.121105       5.060471      2.121105       5.060471      14.74472 9.065852 14.74472 9.065852 0.000000       0.000000 
1 1 1 16 0  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 0  37 o 25.50531 9.989613 9.273635       4.855020      9.273635       4.855020      9.273635       4.855020      25.50531 9.989613 25.50531 9.989613 0.000000       0.000000 
1 1 1 16 0  38 o 35.96560 8.046742 15.19629       5.046302      15.19629       5.046302      15.19629       5.046302      35.96560 8.046742 35.96560 8.046742 0.000000       0.000000 
1 1 1 16 0  39 o 14.40438 9.107898 1.908569       5.477749      1.908569       5.477749      1.908569       5.477749      14.40438 9.107898 14.40438 9.107898 0.000000       0.000000 
1 1 1 16 0  40 o 11.32213 7.695060 -1.615270      5.044177      -1.615270      5.044177      -1.615270      5.044177      11.32213 7.695060 11.32213 7.695060 0.000000       0.000000 
1 1 1 16 0  41 o 57.21794 4.602824 34.28907       5.200744      34.28907       5.200744      34.28907       5.200744      57.21794 4.602824 57.21794 4.602824 0.000000       0.000000 
1 1 1 16 0  42 o 19.28185 9.527322 6.373940       4.370439      6.373940       4.370439      6.373940       4.370439      19.28185 9.527322 19.28185 9.527322 0.000000       0.000000 
1 1 1 16 0  43 o 57.44558 4.323078 35.02586       4.910988      35.02586       4.910988      35.02586       4.910988      57.44558 4.323078 57.44558 4.323078 0.000000       0.000000 
1 1 1 16 1  0  o 235.4178 3.132458 554.5760       14.74288      554.5760       14.74288      554.5760       14.74288      235.4178 3.132458 235.4178 3.132458 0.000000       0.000000 
1 1 1 16 1  1  o 275.6989 2.413622 760.8772       13.31181      785.6730       19.34073      735.3730       18.30639      280.2578 3.450525 271.1399 3.375821 9.117981       4.827245 
1 1 1 16 1  2  o 576.6163 4.339968 3327.598       50.03795      3341.059       71.05771      3314.846       70.50512      577.7507 6.149513 575.4819 6.125746 2.268799       8.679935 
1 1 1 16 1  3  o 767.6009 5.664703 5901.403       86.92703      5861.730       122.2079      5941.077       123.7665      765.0242 7.987194 770.1776 8.034935 -5.153320      11.32941 
1 1 1 16 1  4  o 356.4109 2.890307 1270.963       20.60886      1241.208       28.50810      1300.718       29.76914      352.2397 4.046690 360.5821 4.127929 -8.342407      5.780614 
1 1 1 16 1  5  o 281.5197 2.449842 792.7576       13.79356      799.1337       19.65954      786.3815       19.35490      282.6515 3.477699 280.3878 3.451452 2.263702       4.899685 
1 1 1 16 1  6  o 279.9468 2.444832 784.2562       13.68729      780.7139       19.27697      787.0900       19.43991      279.3777 3.449984 280.5160 3.465029 -1.138214      4.889664 
1 1 1 16 1  7  o 221.1532 2.159841 489.1859       9.549930      491.3821       13.57394      486.9897       13.44641      221.6495 3.062027 220.6569 3.046906 0.9926605      4.319681 
1 1 1 16 1  8  o 219.1566 2.156666 480.4012       9.450747      481.1096       13.37557      479.6927       13.36140      219.3182 3.049353 218.9949 3.050618 0.3232117      4.313331 
1 1 1 16 1  9  o 359.2333 2.922453 1291.508       20.99851      1272.380       29.32282      1309.927       30.06669      356.6223 4.111187 361.8443 4.154645 -5.221954      5.844907 
1 1 1 16 1  10 o 219.9847 2.197394 484.1559       9.670367      470.9079       13.42516      497.4040       13.92108      216.9747 3.093716 222.9948 3.121392 -6.020050      4.394788 
1 1 1 16 1  11 o 298.4808 2.602680 891.2324       15.53635      891.9408       22.00451      890.5239       21.94075      298.5993 3.684622 298.3623 3.676864 0.2370605      5.205359 
1 1 1 16 1  12 o 559.9496 4.255283 3138.441       47.65755      3106.561       66.76450      3170.322       68.02554      557.1077 5.992064 562.7914 6.043584 -5.683655      8.510566 
1 1 1 16 1  13 o 406.5085 3.265632 1653.526       26.55277      1668.404       37.85966      1638.649       37.23623      408.3364 4.635842 404.6807 4.600692 3.655701       6.531263 
1 1 1 16 1  14 o 176.5406 2.323231 312.0022       8.175533      327.1630       10.93141      296.7704       12.15703      180.8479 3.022266 172.2332 3.529237 8.614746       4.646461 
1 1 1 16 1  15 o 218.5725 2.325630 477.9924       10.19462      468.2866       12.14286      487.6982       16.37940      216.3658 2.806096 220.7792 3.709455 -4.413361      4.651261 
1 1 1 16 1  16 o 446.2079 4.036610 1993.583       36.02477      1986.499       50.79599      2001.376       51.09354      445.3762 5.702594 447.0395 5.714656 -1.663330      8.073220 
1 1 1 16 1  17 o 89.91495 2.459062 80.90520       4.405862      82.88886       5.298511      78.92152       7.041303      91.02509 2.910467 88.80479 3.964483 2.220299       4.918125 
1 1 1 16 1  18 o 295.0641 2.783230 871.3957       16.40774      884.8563       21.82740      857.9351       24.50535      297.3591 3.670209 292.7693 4.185096 4.589813       5.566459 
1 1 1 16 1  19 o 53.19314 3.633948 28.54352       3.798718      33.27598       5.139110      23.81815       5.596061      57.64249 4.457744 48.74378 5.740283 8.898716       7.267897 
1 1 1 16 1  20 o 237.9454 2.457366 567.1865       11.66820      540.5487       16.96033      593.7534       16.03226      232.3476 3.649776 243.5432 3.291462 -11.19557      4.914732 
1 1 1 16 1  21 o 347.0900 2.884404 1206.493       20.02085      1213.578       28.43725      1200.117       28.19638      348.0569 4.085144 346.1231 4.073173 1.933868       5.768807 
1 1 1 16 1  22 o 192.6212 2.117596 371.4413       8.161365      375.3378       11.64695      367.5448       11.42733      193.6307 3.007516 191.6118 2.981896 2.018906       4.235193 
1 1 1 16 1  23 o 101.8463 2.165762 103.8590       4.411529      104.0716       6.204620      103.6465       6.272632      101.9513 3.042932 101.7412 3.082640 0.2100983      4.331525 
1 1 1 16 1  24 o 107.4589 2.150470 115.6193       4.621231      114.3441       6.561680      116.9654       6.509255      106.8485 3.070555 108.0694 3.011608 -1.220970      4.300941 
1 1 1 16 1  25 o 119.3590 2.081326 142.9656       4.968372      131.2761       6.793344      154.6550       7.254546      114.4694 2.967318 124.2486 2.919367 -9.779190      4.162652 
1 1 1 16 1  26 o 62.09619 2.776361 38.70272       3.447326      38.49018       4.907445      38.90817       4.844393      61.92646 3.962318 62.26592 3.890084 -0.3394661     5.552722 
1 1 1 16 1  27 o 43.51658 3.747704 19.53910       3.166071      25.49718       4.582975      13.58102       4.369022      50.35495 4.550670 36.67820 5.955884 13.67675       7.495408 
1 1 1 16 1  28 o 22.91146 5.391650 4.876983       2.988958      2.779965       4.199702      6.974707       4.254961      19.84375 7.580894 25.97916 7.668740 -6.135416      10.78330 
1 1 1 16 1  29 o 134.0462 2.089067 180.2301       5.598895      180.5844       7.941744      179.8759       7.899237      134.1773 2.959422 133.9152 2.949343 0.2620544      4.178134 
1 1 1 16 1  30 o 122.9915 2.174998 151.8212       5.348811      146.2244       7.552096      157.4180       7.573349      120.7168 3.128023 125.2662 3.022903 -4.549400      4.349996 
1 1 1 16 1  31 o 105.8296 2.376627 112.5022       5.028590      110.5893       7.148279      114.4150       7.076725      104.9235 3.406425 106.7356 3.315071 -1.812157      4.753254 
1 1 1 16 1  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  33 o 256.2374 2.495605 661.0563       12.78755      658.5768       18.08677      663.4651       18.08677      255.7604 3.535882 256.7143 3.522744 -0.9538879     4.991211 
1 1 1 16 1  34 o 44.31352 4.240227 20.14837       3.738500      22.47209       5.290009      17.83173       5.284342      46.93089 5.635957 41.69615 6.336727 5.234745       8.480454 
1 1 1 16 1  35 o 143.6650 2.243096 207.9306       6.444786      207.1513       9.174451      208.7807       9.054014      143.3743 3.199476 143.9558 3.144721 -0.5815125     4.486192 
1 1 1 16 1  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 1  37 o 53.14495 3.529907 29.05361       3.751961      29.11737       5.288592      28.98276       5.323307      53.21323 4.969246 53.07667 5.014733 0.1365662      7.059813 
1 1 1 16 1  38 o 34.23835 5.083687 13.21263       3.476373      7.970083       4.764338      18.45517       5.064722      26.66348 8.166759 41.81323 6.056363 -15.14975      10.16737 
1 1 1 16 1  39 o 24.27598 7.243073 6.115356       6.159988      10.82514       10.90307      1.408402       5.740584      29.39331 11.90458 19.15865 8.254059 10.23466       14.48615 
1 1 1 16 1  40 o 26.29091 5.967634 8.111773       3.556428      8.706873       5.292843      7.509589       4.751586      27.12196 8.660085 25.45987 8.213012 1.662090       11.93527 
1 1 1 16 1  41 o 21.20849 5.509809 4.705537       3.129231      3.001002       4.366897      6.409364       4.483083      18.97985 7.596983 23.43713 7.982345 -4.457285      11.01962 
1 1 1 16 1  42 o 16.66166 4.891592 -0.3705203     3.132774      -6.029633      4.483083      5.288592       4.378232      12.08384 5.870024 21.23948 7.826460 -9.155644      9.783183 
1 1 1 16 1  43 o 18.54695 5.166732 3.120730       3.075389      6.648112       4.352728      -0.4062971     4.346352      22.28946 7.843339 14.80444 6.727741 7.485024       10.33346 
1 1 1 16 2  0  o 152.7977 2.742165 233.7182       8.373900      233.7182       8.373900      233.7182       8.373900      152.7977 2.742165 152.7977 2.742165 0.000000       0.000000 
1 1 1 16 2  1  o 140.1284 1.936697 196.4537       5.430283      203.1840       7.814223      189.7234       7.537927      142.5295 2.741266 137.7274 2.736538 4.802017       3.873394 
1 1 1 16 2  2  f 240.1546 2.237131 576.8923       10.74721      587.0231       15.38049      566.8323       15.01209      242.2557 3.174432 238.0534 3.153093 4.202301       4.474262 
1 1 1 16 2  3  o 532.6792 4.040023 2839.475       43.04553      2801.219       60.07671      2878.440       61.66364      529.0605 5.677679 536.2980 5.749009 -7.237488      8.080046 
1 1 1 16 2  4  o 99.60889 2.054912 99.25409       4.093434      96.77451       5.739168      101.7337       5.839059      98.36440 2.917300 100.8534 2.894826 -2.488983      4.109824 
1 1 1 16 2  5  o 389.3339 3.098987 1516.087       24.12987      1514.670       34.10487      1518.212       34.14738      389.1065 4.382459 389.5612 4.382799 -0.4547119     6.197973 
1 1 1 16 2  6  o 477.1017 3.671176 2277.673       35.03294      2313.095       50.23632      2242.250       48.84775      480.8103 5.224131 473.3932 5.159321 7.417084       7.342352 
1 1 1 16 2  7  o 87.18758 2.208077 76.08772       3.849018      78.49645       5.452953      73.60814       5.433825      88.58921 3.077662 85.78595 3.167084 2.803261       4.416155 
1 1 1 16 2  8  o 268.7120 2.403038 721.9124       12.91508      719.7870       18.21429      724.7462       18.31348      268.2509 3.395012 269.1732 3.401802 -0.9223328     4.806076 
1 1 1 16 2  9  o 78.26438 2.406807 61.27399       3.766838      60.73557       5.339601      61.81242       5.315514      77.92035 3.426320 78.60841 3.381008 -0.6880646     4.813614 
1 1 1 16 2  10 o 293.2743 2.554511 860.0605       14.98375      859.3521       21.16146      861.4774       21.21813      293.0932 3.610021 293.4553 3.615224 -0.3620605     5.109021 
1 1 1 16 2  11 o 691.0593 5.150414 4782.050       71.19940      4811.096       101.2378      4753.711       100.1042      693.1298 7.302945 688.9888 7.264577 4.140991       10.30083 
1 1 1 16 2  12 o 104.3773 2.468383 109.0307       5.180200      104.3549       6.233667      113.7065       8.274716      102.1420 3.051472 106.6125 3.880744 -4.470535      4.936765 
1 1 1 16 2  13 o 192.2409 2.331160 369.8827       8.919409      385.4686       11.25730      354.2259       13.83606      196.3100 2.867225 188.1718 3.676445 8.138199       4.662320 
1 1 1 16 2  14 o 157.9680 2.212712 249.6584       7.010130      243.9199       8.437660      255.3969       11.20062      156.1592 2.701621 159.7768 3.505085 -3.617523      4.425424 
1 1 1 16 2  15 o 188.0767 2.573514 353.9425       9.719957      347.8499       10.07418      360.0352       16.62028      186.4801 2.701142 189.6732 4.381294 -3.193054      5.147028 
1 1 1 16 2  16 o 291.8879 2.772337 852.9760       16.20229      840.9323       21.04810      864.3112       24.63287      289.9015 3.630217 293.8743 4.191055 -3.972839      5.544675 
1 1 1 16 2  17 o 184.7887 2.169338 341.6863       7.998421      348.0623       9.925409      335.2394       12.54668      186.5330 2.660497 183.0444 3.427223 3.488571       4.338675 
1 1 1 16 2  18 o 104.5970 2.299787 109.7392       4.748044      120.6493       6.033175      98.82903       7.332476      109.8180 2.746898 99.37601 3.689259 10.44196       4.599574 
1 1 1 16 2  19 o 86.98921 2.744303 75.87518       4.701995      81.33026       5.298511      70.38468       7.771716      90.15298 2.938622 83.82544 4.635655 6.327538       5.488606 
1 1 1 16 2  20 o 394.4939 3.656852 1560.011       28.85524      1579.139       41.09020      1541.591       40.51636      396.8662 5.176834 392.1216 5.166300 4.744537       7.313704 
1 1 1 16 2  21 o 266.6547 2.438856 712.7025       13.02134      674.6586       17.70421      750.2504       19.09278      259.5804 3.410159 273.7289 3.487534 -14.14847      4.877712 
1 1 1 16 2  22 o 72.81483 2.605834 53.16222       3.793759      56.56279       5.465705      49.76165       5.262380      75.14763 3.636645 70.48204 3.733135 4.665588       5.211668 
1 1 1 16 2  23 o 104.2015 2.159071 108.8182       4.495835      102.2296       6.303096      115.4068       6.412197      101.0411 3.119074 107.3618 2.986256 -6.320663      4.318142 
1 1 1 16 2  24 o 217.1118 2.398128 472.6082       10.46383      495.4203       16.40066      449.7252       12.99301      222.3247 3.688447 211.8989 3.065850 10.42586       4.796257 
1 1 1 16 2  25 o 76.46596 2.439374 58.62439       3.730707      59.21241       5.302762      58.02929       5.248919      76.85178 3.449993 76.08014 3.449599 0.7716370      4.878748 
1 1 1 16 2  26 o 50.51573 3.237942 25.76639       3.253919      22.25956       4.543301      29.26614       4.659488      47.05132 4.828028 53.98015 4.315927 -6.928837      6.475884 
1 1 1 16 2  27 o 128.4177 2.045964 165.3526       5.255295      171.8704       7.594603      158.8349       7.268716      130.9490 2.899833 125.8864 2.887013 5.062538       4.091928 
1 1 1 16 2  28 o 90.03525 2.496523 81.33026       4.499377      82.39294       6.803971      80.33842       5.888652      90.58188 3.755702 89.48862 3.290168 1.093262       4.993045 
1 1 1 16 2  29 o 137.0978 2.109013 188.6607       5.780967      178.1756       8.026759      199.2166       8.324308      133.2688 3.011492 140.9268 2.953415 -7.658035      4.218027 
1 1 1 16 2  30 o 68.74580 2.800488 47.63630       3.839809      52.20581       5.469248      43.05970       5.390610      72.06911 3.794447 65.42251 4.119843 6.646599       5.600976 
1 1 1 16 2  31 o 188.1830 2.220808 355.5011       8.359732      356.9180       11.88782      354.0842       11.75322      188.5553 3.152344 187.8106 3.129007 0.7446442      4.441617 
1 1 1 16 2  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  33 o 95.82870 2.542420 92.66550       4.868481      100.1751       7.021466      85.08506       6.745878      99.75195 3.519463 91.90544 3.670010 7.846512       5.084839 
1 1 1 16 2  34 o 58.75712 3.365062 35.03294       3.955995      36.06019       5.718623      34.01277       5.467123      59.60893 4.796783 57.90530 4.720744 1.703632       6.730123 
1 1 1 16 2  35 o 45.23055 4.356938 21.67862       3.754794      27.56586       5.456496      15.79847       5.158946      51.95880 5.250791 38.50229 6.954196 13.45652       8.713877 
1 1 1 16 2  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  37 o 87.37453 2.621944 77.78800       4.571640      69.59122       6.339226      85.93520       6.589310      82.72476 3.831517 92.02431 3.580201 -9.299545      5.243887 
1 1 1 16 2  38 o 74.48544 2.862662 56.89576       4.264171      58.92194       6.108272      54.86959       5.952412      75.82131 4.028070 73.14956 4.068659 2.671753       5.725324 
1 1 1 16 2  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 2  40 o 56.99802 6.289281 0.000000       0.000000      ?              ?             35.35174       7.169532      ?        ?        56.99802 6.289281 ?              ?        
1 1 1 16 2  41 o 60.75448 3.482512 39.42534       4.237958      38.23514       5.530883      40.61554       6.422115      60.08127 4.602835 61.42769 5.227379 -1.346416      6.965025 
1 1 1 16 2  42 o 49.16788 3.905492 27.04160       3.855394      23.77564       5.015839      30.30048       5.856771      46.28497 5.418431 52.05078 5.626017 -5.765804      7.810984 
1 1 1 16 2  43 o 21.57000 5.415330 5.076057       3.450160      9.585353       4.424282      0.5678241      5.294260      26.53870 7.815371 16.60130 7.498210 9.937405       10.83066 
1 1 1 16 3  0  o 301.5152 3.620790 909.6522       21.82740      909.6522       21.82740      909.6522       21.82740      301.5152 3.620790 301.5152 3.620790 0.000000       0.000000 
1 1 1 16 3  1  o 404.6135 3.196141 1637.941       25.86557      1630.148       36.43568      1645.734       36.71906      403.6513 4.513261 405.5758 4.526782 -1.924469      6.392283 
1 1 1 16 3  2  o 634.5402 4.742747 4030.382       60.16881      4028.966       85.08506      4032.508       85.15590      634.4009 6.705938 634.6794 6.708577 -0.2784424     9.485495 
1 1 1 16 3  3  o 414.1221 3.256381 1715.870       26.97076      1696.034       37.76048      1735.707       38.52561      411.7291 4.585598 416.5151 4.624756 -4.785980      6.512762 
1 1 1 16 3  4  o 385.9081 3.078144 1489.874       23.75439      1491.291       33.59478      1488.457       33.60187      386.0917 4.350623 385.7245 4.355682 0.3671875      6.156289 
1 1 1 16 3  5  o 406.3274 3.209463 1651.401       26.07811      1663.445       37.14413      1640.066       36.62696      407.7646 4.554605 404.8902 4.523073 2.874390       6.418926 
1 1 1 16 3  6  o 213.8739 2.134377 457.5182       9.131943      461.9814       13.00717      453.0549       12.81589      214.9170 3.026093 212.8308 3.010818 2.086243       4.268754 
1 1 1 16 3  7  o 669.5762 4.986463 4488.750       66.77866      4455.453       93.72817      4521.339       95.14508      667.1218 7.024817 672.0306 7.078925 -4.908752      9.972925 
1 1 1 16 3  8  o 134.9944 1.990164 182.3555       5.374315      190.1485       7.729208      174.5625       7.467082      137.8804 2.802868 132.1085 2.826117 5.771851       3.980328 
1 1 1 16 3  9  o 655.4540 5.055921 4302.428       66.25441      4321.556       81.61364      4283.299       104.3549      657.0272 6.210827 653.8809 7.979661 3.146362       10.11184 
1 1 1 16 3  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  11 o 198.7755 2.265317 395.2452       8.990252      401.1962       11.10144      389.2943       14.14070      200.2787 2.771497 197.2723 3.584056 3.006424       4.530635 
1 1 1 16 3  12 o 329.2917 3.038610 1085.348       20.04918      1060.552       25.59636      1109.436       30.86724      325.5953 3.930702 332.9882 4.634886 -7.392853      6.077219 
1 1 1 16 3  13 o 644.2948 5.002311 4157.904       64.49745      4138.067       78.56730      4177.032       102.3004      642.9105 6.110284 645.6791 7.921926 -2.768616      10.00462 
1 1 1 16 3  14 o 200.4371 2.273706 401.9047       9.110690      404.2426       11.27147      399.5668       14.31073      201.0291 2.803442 199.8450 3.580456 1.184052       4.547412 
1 1 1 16 3  15 o 377.1081 3.188539 1423.988       23.96692      1467.912       30.33591      1379.356       37.10870      383.0100 3.960198 371.2062 4.998394 11.80374       6.377077 
1 1 1 16 3  16 o 283.1807 2.897074 802.6758       16.40774      823.9294       23.60561      781.4223       22.80506      286.9296 4.113485 279.4319 4.080612 7.497711       5.794148 
1 1 1 16 3  17 f 195.3600 2.477091 381.9264       9.677451      377.7465       13.63770      386.0354       13.73688      194.2997 3.509450 196.4202 3.496809 -2.120590      4.954181 
1 1 1 16 3  18 o 306.8387 3.108884 942.9493       19.01485      957.8268       20.79306      927.3634       31.83782      309.3882 3.360351 304.2891 5.231509 5.099091       6.217769 
1 1 1 16 3  19 o 150.8152 2.138519 227.6256       6.451871      226.7754       7.814223      228.4757       10.27255      150.5486 2.595249 151.0818 3.399666 -0.5331268     4.277038 
1 1 1 16 3  20 o 276.2332 2.569978 763.7111       14.21863      755.9181       17.10911      772.2125       22.71296      274.8083 3.112917 277.6581 4.090096 -2.849762      5.139955 
1 1 1 16 3  21 o 131.6898 2.199048 173.6415       5.794427      172.7206       7.382068      174.4917       8.933578      131.3667 2.809718 132.0130 3.383598 -0.6462860     4.398097 
1 1 1 16 3  22 o 223.3037 2.418617 499.3877       10.81097      493.4366       14.10528      505.3387       16.38649      221.9954 3.176930 224.6120 3.647733 -2.616638      4.837234 
1 1 1 16 3  23 o 359.7704 2.962040 1297.175       21.31023      1297.175       30.23672      1297.884       30.04544      359.7184 4.202833 359.8224 4.175037 -0.1040649     5.924081 
1 1 1 16 3  24 o 146.8429 2.047309 216.0778       6.011921      205.3802       8.352647      226.7754       8.650196      143.2042 2.916342 150.4817 2.874169 -7.277527      4.094618 
1 1 1 16 3  25 o 100.8558 2.180884 102.0171       4.398777      97.41212       6.121732      106.5511       6.318681      98.59378 3.104522 103.1179 3.063815 -4.524109      4.361768 
1 1 1 16 3  26 o 81.55281 2.382281 66.68656       3.885858      66.80700       5.516006      66.56612       5.474207      81.62582 3.378836 81.47980 3.359242 0.1460190      4.764561 
1 1 1 16 3  27 o 80.05566 2.446123 64.48328       3.910654      70.98687       5.654862      57.95135       5.402653      84.12032 3.361175 75.99102 3.554797 8.129295       4.892247 
1 1 1 16 3  28 o 122.9998 2.129706 152.1754       5.241835      168.6115       7.750463      135.6685       7.061139      129.6803 2.988296 116.3193 3.035239 13.36098       4.259411 
1 1 1 16 3  29 f 160.0331 2.110097 257.0263       6.754380      246.8246       9.415324      267.2280       9.684536      156.8529 3.001322 163.2133 2.966835 -6.360321      4.220195 
1 1 1 16 3  30 o 163.0617 2.151433 266.8029       7.015798      263.9691       9.946663      269.6367       9.897071      162.1914 3.066335 163.9321 3.018650 -1.740646      4.302866 
1 1 1 16 3  31 o 231.4722 2.372915 538.2817       10.98809      549.4044       15.86932      527.0881       15.20337      233.8603 3.392906 229.0841 3.318295 4.776184       4.745829 
1 1 1 16 3  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  33 o 58.60142 3.459662 34.82040       4.050219      32.77298       5.709413      36.86783       5.746252      56.85697 5.020856 60.34587 4.761099 -3.488895      6.919325 
1 1 1 16 3  34 o 70.08266 2.955362 49.67664       4.140901      49.20906       6.036717      50.15130       5.669739      69.72137 4.329173 70.44394 4.024292 -0.7225647     5.910724 
1 1 1 16 3  35 o 59.50351 3.329664 36.30107       3.914904      29.81874       5.523090      42.78341       5.549303      54.05887 5.108403 64.94815 4.272102 -10.88928      6.659327 
1 1 1 16 3  36 o 105.6111 2.764958 113.5648       5.788051      125.2543       7.771716      101.8045       8.572267      111.2396 3.493232 99.98267 4.286877 11.25697       5.529917 
1 1 1 16 3  37 o 210.3878 2.570110 449.3710       10.80389      455.5345       14.31781      443.2783       16.18104      212.0394 3.376215 208.7361 3.875955 3.303284       5.140219 
1 1 1 16 3  38 o 112.6376 2.774494 129.9301       6.253504      127.6630       8.529759      132.1971       9.146112      111.7256 3.817281 113.5497 4.027361 -1.824112      5.548988 
1 1 1 16 3  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 3  41 f 59.06881 3.584436 37.93050       4.119648      46.90659       5.768923      28.95442       5.881567      66.70699 4.324077 51.43062 5.717962 15.27637       7.168872 
1 1 1 16 3  42 o 32.81559 5.527838 13.77230       3.664113      17.33581       5.011588      10.20879       5.345977      38.06839 6.830154 27.56279 8.693502 10.50560       11.05568 
1 1 1 16 3  43 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  0  f 35.92339 6.593169 14.06277       4.286133      14.06277       4.286133      14.06277       4.286133      35.92339 6.593169 35.92339 6.593169 0.000000       0.000000 
1 1 1 16 4  1  o 166.2905 1.981391 276.5796       6.592852      283.2390       9.472000      269.9910       9.167366      168.2817 2.814328 164.2993 2.789837 3.982422       3.962781 
1 1 1 16 4  2  o 176.5237 2.005625 311.6479       7.083100      316.7488       10.12378      306.6179       9.904156      177.9581 2.844426 175.0893 2.828316 2.868851       4.011250 
1 1 1 16 4  3  o 421.3779 3.309733 1776.797       27.89175      1775.380       39.38284      1777.505       39.51036      421.2521 4.674497 421.5037 4.686834 -0.2515564     6.619466 
1 1 1 16 4  4  o 811.6240 5.976140 6597.103       97.05790      6521.299       135.5977      6673.616       138.7857      806.9465 8.401900 816.3016 8.500885 -9.355103      11.95228 
1 1 1 16 4  5  o 371.0891 2.997223 1377.939       22.24539      1378.647       31.47651      1376.522       31.44109      371.2321 4.239465 370.9459 4.237961 0.2862244      5.994445 
1 1 1 16 4  6  o 535.4847 4.226103 2869.938       45.44010      2786.341       53.79982      2954.244       73.25391      527.7087 5.097493 543.2608 6.742058 -15.55206      8.452206 
1 1 1 16 4  7  o 162.2222 2.406269 263.5441       7.934660      244.5576       7.991336      282.6014       13.70854      156.3709 2.555250 168.0735 4.078139 -11.70256      4.812538 
1 1 1 16 4  8  o 418.9997 3.427949 1756.960       28.81273      1717.996       34.39534      1795.925       46.23357      414.3890 4.150126 423.6103 5.457087 -9.221252      6.855898 
1 1 1 16 4  9  o 363.1460 3.068597 1319.137       22.31623      1305.677       27.03452      1333.306       35.51469      361.2698 3.741598 365.0222 4.864730 -3.752411      6.137194 
1 1 1 16 4  10 o 148.3723 2.213462 220.2577       6.594269      213.2440       7.927575      227.2713       10.54176      146.0142 2.714659 150.7303 3.496896 -4.716080      4.426924 
1 1 1 16 4  11 f 207.2820 2.303861 429.8177       9.542846      433.0766       11.74613      426.4880       15.04043      208.0836 2.822455 206.4805 3.642094 1.603012       4.607722 
1 1 1 16 4  12 o 249.0262 2.504468 620.3912       12.44750      630.2386       15.45133      610.5438       19.52493      251.0131 3.077794 247.0392 3.951788 3.973907       5.008936 
1 1 1 16 4  13 o 152.6027 2.265842 233.0098       6.897486      237.3313       8.529759      228.6174       10.84640      154.0363 2.768750 151.1691 3.587505 2.867172       4.531685 
1 1 1 16 4  14 o 317.7723 2.809034 1010.961       17.79631      1040.007       22.49334      981.2057       27.58003      322.4173 3.488234 313.1273 4.403964 9.290039       5.618067 
1 1 1 16 4  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  16 o 358.4547 3.194760 1286.548       22.93258      1267.420       29.64162      1304.968       34.99043      355.8642 4.164738 361.0453 4.845713 -5.181091      6.389521 
1 1 1 16 4  17 o 262.5634 3.124448 690.1029       16.39357      684.3644       25.35549      695.7705       20.78598      261.4527 4.848963 263.6740 3.941604 -2.221375      6.248895 
1 1 1 16 4  18 o 100.0617 2.640856 100.1751       5.275840      100.8835       5.652737      99.53748       8.912323      100.4163 2.814652 99.70708 4.469253 0.7091904      5.281713 
1 1 1 16 4  19 o 177.2299 2.185274 314.3401       7.736294      316.8905       9.429493      311.8605       12.27038      177.9587 2.649348 176.5011 3.476009 1.457672       4.370548 
1 1 1 16 4  20 o 196.5700 2.213434 386.8147       8.699788      388.2316       10.54176      385.3269       13.83606      196.9651 2.676049 196.1749 3.526461 0.7901459      4.426868 
1 1 1 16 4  21 o 154.2257 2.135714 238.1106       6.597811      234.7809       8.033843      241.4404       10.47092      153.1667 2.622582 155.2847 3.371521 -2.118073      4.271428 
1 1 1 16 4  22 o 258.8367 2.478245 671.0455       12.80881      681.1765       15.89057      660.9147       20.08461      260.8400 3.046039 256.8335 3.910045 4.006500       4.956491 
1 1 1 16 4  23 o 175.7860 2.140542 309.4518       7.523758      309.9477       9.252379      308.8850       11.86657      175.9655 2.629033 175.6065 3.378738 0.3589630      4.281085 
1 1 1 16 4  24 o 187.8712 2.121171 353.5175       7.970083      349.4084       11.20771      357.6973       11.33523      186.7700 3.000404 188.9725 2.999174 -2.202499      4.242342 
1 1 1 16 4  25 o 154.0011 2.055970 237.6147       6.331434      236.3395       9.011506      238.8899       8.898154      153.5853 2.933715 154.4170 2.881209 -0.8317566     4.111940 
1 1 1 16 4  26 o 95.20198 2.406796 90.89436       4.594310      95.00338       6.962664      86.85619       5.996336      97.32191 3.577131 93.08206 3.220994 4.239845       4.813592 
1 1 1 16 4  27 o 95.81010 2.263017 92.38211       4.330766      103.1506       6.318681      81.61364       5.923365      101.4206 3.115086 90.19955 3.283478 11.22110       4.526035 
1 1 1 16 4  28 o 152.4955 2.090525 233.2223       6.375357      224.7917       8.933578      241.6529       9.096521      149.7348 2.983133 155.2561 2.929521 -5.521317      4.181049 
1 1 1 16 4  29 o 35.20763 4.768554 13.02134       3.262421      9.663282       4.579432      16.37232       4.648860      30.19173 7.586970 40.22353 5.778782 -10.03180      9.537108 
1 1 1 16 4  30 o 118.2856 2.225600 140.4151       5.267339      142.1154       7.601687      138.7857       7.289969      118.9800 3.194525 117.5912 3.099707 1.388718       4.451199 
1 1 1 16 4  31 o 54.12154 3.637273 29.71247       3.914196      26.19146       5.552136      33.22639       5.519547      50.87025 5.457156 57.37283 4.810245 -6.502586      7.274545 
1 1 1 16 4  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  33 o 139.7551 2.462670 196.6662       6.871274      202.2630       9.181536      191.0694       10.22296      141.8076 3.237321 137.7026 3.711969 4.104965       4.925339 
1 1 1 16 4  34 o 272.5912 2.790961 750.9589       15.24588      732.5391       19.68079      769.3787       23.27973      269.4507 3.652021 275.7318 4.221443 -6.281189      5.581921 
1 1 1 16 4  35 o 117.9671 2.547922 140.6277       6.014048      139.2108       7.920490      142.0446       9.054014      117.4490 3.371885 118.4852 3.820735 -1.036232      5.095844 
1 1 1 16 4  36 o 90.15999 2.858488 82.60548       5.168156      78.21307       6.818140      87.06872       7.764632      87.79742 3.882882 92.52255 4.196075 -4.725136      5.716976 
1 1 1 16 4  37 o 54.25581 4.039293 30.62637       4.402319      27.70046       5.696661      33.54519       6.713289      51.73097 5.506044 56.78064 5.911601 -5.049664      8.078586 
1 1 1 16 4  38 o 77.64546 3.169441 62.27291       4.880525      67.38085       6.449745      57.15789       7.325392      81.08889 3.976960 74.20203 4.936112 6.886856       6.338881 
1 1 1 16 4  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  40 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 4  41 o 39.85680 4.512300 18.32765       3.497626      23.47101       5.387776      13.19137       4.461830      46.13652 5.838950 33.57708 6.881138 12.55943       9.024599 
1 1 1 16 4  42 o 53.77396 3.353354 31.44818       3.608145      32.06453       5.464289      30.83891       4.714746      53.99852 5.059665 53.54939 4.402241 0.4491310      6.706708 
1 1 1 16 5  0  o 348.9743 4.049237 1218.537       28.25306      1218.537       28.25306      1218.537       28.25306      348.9743 4.049237 348.9743 4.049237 0.000000       0.000000 
1 1 1 16 5  1  o 573.8827 4.329869 3295.718       49.69790      3282.257       69.98795      3309.887       70.57597      572.6810 6.110553 575.0844 6.136140 -2.403442      8.659739 
1 1 1 16 5  2  o 321.9885 2.699999 1037.173       17.39249      1018.045       24.22197      1056.302       24.95876      319.0197 3.796312 324.9574 3.840312 -5.937653      5.399999 
1 1 1 16 5  3  o 398.7973 3.277072 1591.183       26.09228      1613.853       32.40458      1568.512       40.90601      401.6600 4.033833 395.9347 5.165751 5.725281       6.554143 
1 1 1 16 5  4  o 575.3514 4.485822 3312.721       51.63905      3307.053       63.07346      3319.097       81.75533      574.8894 5.485704 575.8135 7.099117 -0.9240723     8.971644 
1 1 1 16 5  5  o 123.6740 2.095444 152.9547       5.192952      150.7585       6.312305      155.2218       8.246379      122.7749 2.570682 124.5732 3.309854 -1.798233      4.190887 
1 1 1 16 5  6  o 190.2577 2.162147 362.0897       8.203872      371.7955       10.30089      352.4548       12.76630      192.8035 2.671344 187.7118 3.400506 5.091736       4.324294 
1 1 1 16 5  7  o 125.8483 2.250714 158.4807       5.681075      150.7585       7.339560      166.2736       8.678535      122.7690 2.989174 128.9275 3.365664 -6.158463      4.501429 
1 1 1 16 5  8  o 36.43761 4.818362 13.57394       3.401277      14.79956       4.058721      12.34832       5.459329      38.45499 5.277234 34.42024 8.063327 4.034756       9.636724 
1 1 1 16 5  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  10 o 144.2131 2.240155 208.0723       6.439118      214.0941       8.019674      202.0504       10.07418      146.3052 2.740735 142.1211 3.544226 4.184097       4.480309 
1 1 1 16 5  11 o 409.0422 3.409076 1674.780       27.98384      1632.981       33.33974      1715.870       44.95126      404.0123 4.126081 414.0721 5.427951 -10.05984      6.818152 
1 1 1 16 5  12 o 166.1205 2.454123 276.3670       8.125941      293.7241       11.10852      258.9391       11.85948      171.3573 3.241334 160.8837 3.685733 10.47362       4.908246 
1 1 1 16 5  13 o 126.2499 2.290710 159.5433       5.744836      168.6824       7.247461      150.4752       8.912323      129.8600 2.790491 122.6398 3.633535 7.220146       4.581421 
1 1 1 16 5  14 o 125.0179 2.595936 156.4261       6.463914      159.2599       6.925824      153.5215       10.91724      126.1795 2.744434 123.8563 4.407223 2.323204       5.191872 
1 1 1 16 5  15 o 315.0417 2.788989 993.2495       17.54127      1006.710       21.82740      979.7889       27.47376      317.2028 3.440606 312.8807 4.390453 4.322113       5.577979 
1 1 1 16 5  16 o 126.4600 2.186409 159.9684       5.516714      162.5897       6.744461      157.4180       8.735210      127.4896 2.645102 125.4305 3.482093 2.059158       4.372818 
1 1 1 16 5  17 o 132.4195 2.412864 175.6252       6.390944      165.8486       8.813140      185.3310       9.259464      128.7433 3.422757 136.0957 3.401822 -7.352386      4.825728 
1 1 1 16 5  18 o 173.9013 2.656990 302.9340       9.195704      317.9532       11.87365      287.8440       14.04151      178.2438 3.330733 169.5588 4.140603 8.684998       5.313979 
1 1 1 16 5  19 o 429.6301 3.518935 1850.476       30.24380      1845.517       36.90326      1854.727       47.92677      429.2220 4.298853 430.0381 5.572386 -0.8160400     7.037871 
1 1 1 16 5  20 o 128.8376 2.588282 167.1946       6.877649      141.8320       6.879067      192.5572       11.90907      119.0421 2.889343 138.6333 4.295173 -19.59120      5.176564 
1 1 1 16 5  21 o 194.7997 2.300546 379.9427       8.969000      376.6130       11.46984      383.2724       13.79356      193.9668 2.956648 195.6324 3.525376 -1.665604      4.601091 
1 1 1 16 5  22 o 57.74691 3.111076 33.43184       3.589725      33.70105       4.510004      33.16262       5.586143      57.99537 3.888245 57.49845 4.857646 0.4969177      6.222152 
1 1 1 16 5  23 o 38.17058 4.389325 14.89166       3.248960      15.39466       4.013380      14.38866       5.111480      39.15820 5.124570 37.18295 7.127655 1.975250       8.778649 
1 1 1 16 5  24 o 97.03497 2.304124 94.57832       4.529841      84.73083       5.288592      104.4966       7.353730      91.97530 2.875007 102.0946 3.601428 -10.11934      4.608248 
1 1 1 16 5  25 o 52.28239 3.303674 27.60837       3.508253      23.71188       4.093434      31.51194       5.698786      48.59584 4.211713 55.96895 5.091025 -7.373112      6.607349 
1 1 1 16 5  26 o 35.79552 4.514124 13.32598       3.119313      16.30148       4.436325      10.35048       4.386024      40.22655 5.514175 31.36450 7.148647 8.862057       9.028249 
1 1 1 16 5  27 o 136.5131 2.110012 186.8896       5.761130      188.4482       8.210957      185.2601       8.083434      137.0941 2.994642 135.9321 2.973335 1.162018       4.220024 
1 1 1 16 5  28 o 75.89491 2.823391 57.89468       4.273381      59.99170       5.648486      55.79766       6.414322      77.29931 3.653646 74.49050 4.305464 2.808807       5.646782 
1 1 1 16 5  29 o 208.7208 2.435355 437.4690       10.16628      437.6815       13.41808      437.1856       15.27422      208.8355 3.212595 208.6062 3.661018 0.2292633      4.870710 
1 1 1 16 5  30 o 186.7632 2.402579 350.4002       8.969000      353.8717       11.95158      346.9288       13.37557      187.7402 3.183011 185.7863 3.599719 1.953873       4.805157 
1 1 1 16 5  31 o 186.8645 2.461932 351.0379       9.216957      343.5991       12.07910      358.4766       13.91399      184.9424 3.265639 188.7866 3.685112 -3.844177      4.923865 
1 1 1 16 5  32 o 135.9590 2.589077 186.3228       7.058305      179.8051       9.139028      192.8406       10.75430      133.6464 3.419108 138.2717 3.888829 -4.625320      5.178155 
1 1 1 16 5  33 f 150.4984 2.431443 228.0506       7.304138      235.8436       9.762465      220.3285       10.86057      153.1292 3.187656 147.8675 3.672399 5.261780       4.862886 
1 1 1 16 5  34 o 148.1945 2.421262 221.3912       7.176617      222.2413       9.514507      220.5410       10.74013      148.5535 3.202385 147.8354 3.632461 0.7180176      4.842524 
1 1 1 16 5  35 o 54.17107 3.970290 30.37841       4.301011      24.96584       5.661947      35.79099       6.475249      49.27297 5.745490 59.06917 5.481074 -9.796204      7.940581 
1 1 1 16 5  36 o 72.26961 3.200121 53.27557       4.631858      51.00853       6.220206      55.54262       6.864897      70.77079 4.394614 73.76842 4.653006 -2.997627      6.400242 
1 1 1 16 5  37 o 48.68414 4.329115 24.76748       4.193326      26.38983       5.659822      23.13803       6.189034      50.44841 5.609515 46.91986 6.595325 3.528545       8.658231 
1 1 1 16 5  38 o 96.66599 2.615637 95.35760       5.052678      93.94070       7.389152      96.84536       6.895361      95.84538 3.854726 97.48660 3.536569 -1.641228      5.231274 
1 1 1 16 5  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 5  40 o 45.06122 10.21018 26.63070       8.990252      26.63070       8.990252      ?              ?             45.06122 10.21018 ?        ?        ?              ?        
1 1 1 16 5  41 o 17.36919 5.226927 1.552218       3.190158      2.637566       4.916656      0.4670823      4.066513      18.95468 7.874988 15.78371 6.875147 3.170963       10.45385 
1 1 1 16 5  42 o 44.33769 3.953454 22.57127       3.518880      29.11737       5.560638      16.03226       4.314471      51.02395 5.449047 37.65143 5.729492 13.37252       7.906908 
1 1 1 16 6  0  f 690.8607 7.272338 4777.090       100.4585      4777.090       100.4585      4777.090       100.4585      690.8607 7.272338 690.8607 7.272338 0.000000       0.000000 
1 1 1 16 6  1  o 404.1897 3.217161 1634.398       26.00727      1630.856       36.72614      1637.941       36.83241      403.7517 4.548109 404.6276 4.551395 -0.8758850     6.434322 
1 1 1 16 6  2  o 271.7874 2.630099 738.9152       14.28947      745.9998       18.85190      731.8307       21.47317      273.0958 3.451518 270.4790 3.969471 2.616821       5.260198 
1 1 1 16 6  3  o 177.9182 2.142108 316.8905       7.686701      296.9830       8.926493      336.8688       12.52543      172.3195 2.590099 183.5169 3.412609 -11.19736      4.284217 
1 1 1 16 6  4  o 388.8373 3.366366 1513.253       26.14187      1545.842       34.89833      1479.956       38.93651      393.0842 4.439040 384.5903 5.062076 8.493896       6.732733 
1 1 1 16 6  5  o 446.6199 3.616814 1996.417       32.36208      1970.204       39.00027      2021.921       51.65322      443.7645 4.394253 449.4753 5.745946 -5.710846      7.233627 
1 1 1 16 6  6  f 477.1259 3.829807 2278.381       36.60571      2250.751       44.19322      2306.010       58.36226      474.2819 4.658962 479.9699 6.079783 -5.688019      7.659615 
1 1 1 16 6  7  o 587.9241 4.591228 3460.787       53.89901      3500.460       66.85659      3421.114       84.58914      591.3791 5.652601 584.4692 7.236408 6.909912       9.182455 
1 1 1 16 6  8  o 602.7932 9.178950 3642.151       110.6602      3642.151       110.6602      ?              ?             602.7932 9.178950 ?        ?        ?              ?        
1 1 1 16 6  9  o 602.4073 4.711203 3633.649       56.81075      3602.477       68.86860      3664.113       90.39845      599.9440 5.739585 604.8708 7.472542 -4.926819      9.422406 
1 1 1 16 6  10 f 272.6265 2.611607 743.8744       14.23280      748.1251       17.47751      738.9152       22.45792      273.4828 3.195358 271.7702 4.131785 1.712616       5.223214 
1 1 1 16 6  11 o 161.9354 2.366628 262.3397       7.686701      256.9554       9.372816      267.7239       12.17829      160.2794 2.923900 163.5914 3.722166 -3.312027      4.733256 
1 1 1 16 6  12 o 109.1639 2.560129 119.3033       5.559929      124.1208       6.850020      114.4150       8.756464      111.3922 3.074730 106.9355 4.094273 4.456696       5.120257 
1 1 1 16 6  13 o 304.7880 2.759311 929.4888       16.81865      931.6141       20.66554      927.3634       26.53152      305.1580 3.386039 304.4181 4.357744 0.7398987      5.518623 
1 1 1 16 6  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  15 o 137.2180 2.260936 188.3773       6.205329      188.0231       8.232210      188.7316       9.287803      137.0928 3.002422 137.3432 3.381240 -0.2503204     4.521871 
1 1 1 16 6  16 o 67.36595 3.172569 45.63847       4.229457      51.86576       5.829850      39.41117       6.130233      71.98954 4.049095 62.74236 4.885243 9.247177       6.345138 
1 1 1 16 6  17 o 293.5551 2.654985 862.1858       15.54343      882.0225       19.49659      843.0576       24.22197      296.8983 3.283380 290.2119 4.173153 6.686401       5.309970 
1 1 1 16 6  18 o 270.6436 2.551244 733.2476       13.81481      731.8307       16.77614      734.6645       21.94784      270.4191 3.101878 270.8682 4.051387 -0.4491272     5.102488 
1 1 1 16 6  19 o 160.3761 2.461578 258.0181       7.750463      281.0428       8.784801      234.9935       12.76630      167.5871 2.620966 153.1652 4.167495 14.42197       4.923157 
1 1 1 16 6  20 o 165.8289 2.166669 275.3044       7.183701      276.3670       8.721042      274.1708       11.41316      166.1819 2.623945 165.4760 3.448583 0.7058258      4.333338 
1 1 1 16 6  21 o 355.0641 3.173716 1263.878       22.57127      1241.916       28.86232      1285.840       34.70705      352.0505 4.099174 358.0776 4.846303 -6.027100      6.347432 
1 1 1 16 6  22 o 132.6937 2.150403 176.3336       5.702329      177.3255       6.925116      175.2710       9.061099      133.1026 2.601420 132.2849 3.424843 0.8177490      4.300807 
1 1 1 16 6  23 o 160.0112 2.119620 256.4596       6.804679      249.4459       8.189702      263.4732       10.87473      157.8522 2.594105 162.1703 3.352874 -4.318176      4.239239 
1 1 1 16 6  24 o 187.8244 2.190250 353.5175       8.203872      360.8853       10.23713      346.1495       12.83006      189.8270 2.696436 185.8219 3.452248 4.005157       4.380501 
1 1 1 16 6  25 o 115.1047 2.186915 132.8347       5.009462      137.9356       6.186910      127.7339       7.877984      117.3506 2.636078 112.8587 3.490197 4.491920       4.373830 
1 1 1 16 6  26 o 128.7096 2.160709 166.0611       5.565597      164.9984       6.690619      167.1238       8.898154      128.3397 2.606606 129.0794 3.446774 -0.7397461     4.321417 
1 1 1 16 6  27 o 245.8361 2.922002 607.8516       14.25405      639.0235       17.34998      576.6089       22.62086      252.3435 3.437772 239.3287 4.725898 13.01477       5.844005 
1 1 1 16 6  28 o 203.3630 2.403183 415.1527       9.790804      406.5805       12.72379      423.7250       14.87749      201.3143 3.160181 205.4117 3.621383 -4.097351      4.806366 
1 1 1 16 6  29 o 84.87433 2.722210 72.40377       4.632566      69.61247       6.018298      75.23758       7.043427      83.25072 3.614562 86.49795 4.071442 -3.247231      5.444419 
1 1 1 16 6  30 o 157.8541 2.374584 250.2960       7.495420      253.4841       9.989170      247.1080       11.16520      158.9028 3.143171 156.8055 3.560207 2.097260       4.749168 
1 1 1 16 6  31 o 99.40225 2.887123 99.75002       5.757588      92.45296       7.580434      106.9762       8.664365      95.80152 3.956322 103.0030 4.205881 -7.201469      5.774246 
1 1 1 16 6  32 o 21.84085 6.225683 2.558219       4.192617      1.873855       5.484125      3.243292       6.342769      20.59577 8.406527 23.08594 9.185142 -2.490168      12.45137 
1 1 1 16 6  33 o 117.2304 2.555020 138.5023       5.993503      136.8020       7.892153      140.2026       9.025676      116.5660 3.385272 117.8948 3.827851 -1.328819      5.110040 
1 1 1 16 6  34 o 153.2854 2.447522 236.9771       7.502505      240.7319       10.17337      233.2223       11.01642      154.5619 3.291033 152.0089 3.623612 2.553024       4.895044 
1 1 1 16 6  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  36 o 28.43371 5.842436 8.777717       3.591142      6.792635       5.202161      10.76138       4.952786      25.61239 8.598715 31.25503 7.911911 -5.642643      11.68487 
1 1 1 16 6  37 o 32.63042 5.694335 11.94450       3.704495      12.89382       5.487668      10.99517       4.977582      33.89665 8.177079 31.36420 7.926989 2.532452       11.38867 
1 1 1 16 6  38 f 18.78825 5.617710 0.8692704      3.691034      -0.6384568     5.393443      2.377564       5.040634      17.71221 7.811429 19.86429 8.075657 -2.152075      11.23542 
1 1 1 16 6  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 6  40 o 51.67310 3.608412 28.52935       3.716538      27.52335       5.542218      29.54244       4.954203      50.49976 5.487371 52.84644 4.687357 -2.346684      7.216825 
1 1 1 16 6  41 o 25.93984 5.668843 8.232210       3.367980      6.456830       5.135567      10.01042       4.359104      23.26688 8.485803 28.61280 7.518928 -5.345922      11.33769 
1 1 1 16 6  42 o 33.31373 4.890207 13.48892       3.192284      11.34940       5.001670      15.62136       3.968747      29.21716 8.217077 37.41029 5.304352 -8.193130      9.780415 
1 1 1 16 7  0  o 561.2685 6.026831 3152.610       67.63589      3152.610       67.63589      3152.610       67.63589      561.2685 6.026831 561.2685 6.026831 0.000000       0.000000 
1 1 1 16 7  1  o 287.6753 2.538044 827.4717       14.60119      833.8478       20.76472      821.8041       20.53802      288.7215 3.595978 286.6291 3.582681 2.092377       5.076087 
1 1 1 16 7  2  o 474.0817 3.684096 2249.334       34.92667      2258.544       49.57745      2239.416       49.22322      475.0893 5.217699 473.0740 5.202487 2.015259       7.368192 
1 1 1 16 7  3  o 275.8624 2.478768 760.8772       13.68020      762.2941       19.39741      760.1688       19.28406      276.0547 3.513327 275.6700 3.497671 0.3847351      4.957537 
1 1 1 16 7  4  o 274.7203 2.480535 755.2096       13.63770      782.8392       19.82248      727.5800       18.73146      279.7465 3.542936 269.6942 3.472723 10.05234       4.961069 
1 1 1 16 7  5  f 326.1311 2.768684 1064.095       18.05844      1074.721       25.75931      1053.468       25.32006      327.7591 3.929609 324.5031 3.901360 3.256042       5.537367 
1 1 1 16 7  6  o 829.1604 6.125954 6890.402       101.5920      6754.379       140.9111      7026.425       146.4370      820.9919 8.581757 837.3288 8.744294 -16.33685      12.25191 
1 1 1 16 7  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  8  o 90.67334 2.755550 82.32210       4.952078      87.21041       6.031758      77.43378       7.856731      93.37356 3.229907 87.97313 4.465415 5.400429       5.511100 
1 1 1 16 7  9  o 380.1999 3.227154 1446.659       24.52660      1453.743       30.17296      1438.866       38.66730      381.2029 3.957599 379.1968 5.098578 2.006073       6.454308 
1 1 1 16 7  10 o 360.3419 3.122391 1299.301       22.57127      1270.963       26.97784      1327.639       36.18772      356.4370 3.784378 364.2469 4.967471 -7.809937      6.244781 
1 1 1 16 7  11 o 283.2872 2.709741 803.3843       15.40883      781.4223       18.32056      824.6379       24.78164      279.4926 3.277469 287.0818 4.316130 -7.589203      5.419481 
1 1 1 16 7  12 o 230.8570 2.424596 533.1808       11.20771      529.9219       13.62353      536.4397       17.78922      230.1639 2.959527 231.5500 3.841336 -1.386078      4.849192 
1 1 1 16 7  13 o 349.3024 3.025569 1220.662       21.14020      1219.954       25.82307      1222.079       33.47435      349.1828 3.697643 349.4220 4.789960 -0.2391968     6.051139 
1 1 1 16 7  14 o 167.1342 2.207148 279.6259       7.417490      267.5822       8.806056      291.5987       11.94450      163.5527 2.692115 170.7157 3.498360 -7.162918      4.414296 
1 1 1 16 7  15 o 222.1722 2.448059 493.9326       10.86765      503.7801       14.50201      484.0851       16.18104      224.3952 3.231354 219.9492 3.678358 4.446045       4.896117 
1 1 1 16 7  16 o 150.0632 2.435958 225.3585       7.311223      230.8136       10.53468      219.9034       10.14503      151.8791 3.468114 148.2473 3.421658 3.631775       4.871915 
1 1 1 16 7  17 o 78.45978 2.643509 61.62822       4.135233      63.10180       5.096602      60.14756       6.513506      79.40973 3.209054 77.50983 4.201729 1.899895       5.287017 
1 1 1 16 7  18 o 173.4432 2.287447 301.1628       7.920490      305.4136       10.27963      296.8413       12.06493      174.6919 2.942218 172.1945 3.503286 2.497391       4.574894 
1 1 1 16 7  19 o 120.1700 2.630866 144.6659       6.348436      141.2653       7.169532      147.9956       10.47800      118.8005 3.017468 121.5395 4.310535 -2.738976      5.261732 
1 1 1 16 7  20 o 212.6718 2.297189 452.8424       9.755382      458.0849       11.97992      447.5998       15.40174      213.9352 2.799894 211.4084 3.642651 2.526810       4.594378 
1 1 1 16 7  21 o 227.8332 2.360334 519.8619       10.79680      506.6847       12.85840      533.1100       17.33581      224.9805 2.857670 230.6859 3.757450 -5.705460      4.720668 
1 1 1 16 7  22 o 203.3599 2.253714 414.1609       9.160281      418.2699       11.31397      410.0519       14.39574      204.4049 2.767540 202.3149 3.557755 2.089996       4.507427 
1 1 1 16 7  23 o 115.6894 2.214051 134.0391       5.120689      134.1099       6.303096      134.0391       8.076350      115.7293 2.723207 115.6495 3.491737 0.7979584E-01  4.428102 
1 1 1 16 7  24 o 298.2860 2.719719 892.6493       16.20938      901.1507       19.97834      884.1478       25.51843      299.8269 3.331646 296.7451 4.299723 3.081818       5.439438 
1 1 1 16 7  25 o 288.4616 2.672090 835.2646       15.40174      841.6407       18.92983      828.1802       24.29281      289.7465 3.266620 287.1767 4.229593 2.569763       5.344180 
1 1 1 16 7  26 o 201.1753 2.599697 406.2971       10.51342      396.7330       10.88182      415.8612       17.98759      198.9752 2.734467 203.3755 4.422261 -4.400284      5.199395 
1 1 1 16 7  27 o 119.6785 2.536082 143.7449       6.084892      141.9737       6.344185      145.5869       10.38590      119.0280 2.664997 120.3290 4.315628 -1.300980      5.072165 
1 1 1 16 7  28 o 20.08623 5.743630 2.039633       3.721497      -1.100934      3.807220      5.180200       6.395194      14.84676 6.553365 25.32569 9.434542 -10.47893      11.48726 
1 1 1 16 7  29 f 56.60693 3.592825 32.36208       4.076432      30.49177       5.408321      34.23239       6.101187      54.98589 4.917917 58.22797 5.239051 -3.242081      7.185650 
1 1 1 16 7  30 o 164.2346 2.744225 271.4079       8.961915      281.7513       10.80389      261.0645       14.29656      167.5141 3.224771 160.9551 4.441164 6.558975       5.488450 
1 1 1 16 7  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  32 o 108.3099 2.726169 118.2406       5.911322      115.4068       7.927575      121.1453       8.770633      107.0295 3.703452 109.5904 4.001554 -2.560822      5.452338 
1 1 1 16 7  33 o 64.21741 3.514296 41.87658       4.512838      41.98285       6.063639      41.77032       6.684951      64.34843 4.711567 64.08639 5.215578 0.2620392      7.028593 
1 1 1 16 7  34 o 98.06097 2.784398 97.27043       5.465705      95.28677       7.304138      99.25409       8.133026      97.10969 3.760767 99.01226 4.107080 -1.902573      5.568795 
1 1 1 16 7  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 7  36 o 21.93707 5.709712 3.442367       3.588309      -0.3171739     5.248210      7.204955       4.894693      17.92347 7.808794 25.95067 8.332226 -8.027205      11.41942 
1 1 1 16 7  37 o 90.59233 2.547271 83.52647       4.597852      81.18858       7.119940      85.93520       5.822057      89.12128 3.994524 92.06339 3.161983 -2.942108      5.094542 
1 1 1 16 7  38 o 77.52393 3.606332 62.51378       5.615189      64.75957       9.422408      60.26799       6.108980      78.33868 6.013894 76.70917 3.981910 1.629509       7.212664 
1 1 1 16 7  39 o 61.21214 4.123065 40.71472       5.067555      42.74090       8.409323      38.68855       5.656280      61.86904 6.796067 60.55523 4.670347 1.313805       8.246131 
1 1 1 16 7  40 o 20.45367 5.872254 3.125690       3.901444      2.201868       6.390944      4.049510       4.476707      20.47550 8.761855 20.43183 7.820703 0.4366493E-01  11.74451 
1 1 1 16 7  41 o 20.32337 5.852339 4.045260       3.809345      5.013005       6.378191      3.076806       4.166405      22.11399 9.052658 18.53275 7.419492 3.581240       11.70468 
1 1 1 16 7  42 o 73.06136 3.225332 58.21348       4.699161      59.24782       7.792970      57.18623       5.255295      72.52677 5.372478 73.59594 3.570370 -1.069168      6.450664 
1 1 1 16 8  0  o 395.9135 4.509734 1568.512       35.69889      1568.512       35.69889      1568.512       35.69889      395.9135 4.509734 395.9135 4.509734 0.000000       0.000000 
1 1 1 16 8  1  f 381.2238 3.099512 1454.452       23.63395      1441.699       33.14846      1466.495       33.69397      379.5994 4.366243 382.8483 4.400434 -3.248932      6.199024 
1 1 1 16 8  2  o 263.0988 2.444783 692.4407       12.86548      695.5579       18.27097      689.3235       18.11511      263.6908 3.464469 262.5067 3.450409 1.184052       4.889567 
1 1 1 16 8  3  o 309.9394 2.690316 961.3691       16.67695      962.0775       23.66229      959.9522       23.50643      310.1104 3.815140 309.7684 3.794195 0.3420410      5.380632 
1 1 1 16 8  4  o 446.9709 3.523687 1999.251       31.50485      2009.169       44.77415      1989.333       44.32074      448.0788 4.996237 445.8630 4.970221 2.215820       7.047374 
1 1 1 16 8  5  o 226.1372 2.325956 511.6439       10.52051      499.4585       14.66495      523.7584       15.09002      223.4518 3.281458 228.8226 3.297319 -5.370819      4.651911 
1 1 1 16 8  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 8  7  o 286.3048 2.620651 820.3871       15.00501      809.7604       21.11186      830.3055       21.33148      284.5113 3.710197 288.0983 3.702119 -3.586945      5.241302 
1 1 1 16 8  8  o 255.1083 2.489418 650.9963       12.70254      658.5060       18.20012      643.5576       17.72546      256.5721 3.546785 253.6445 3.494155 2.927658       4.978836 
1 1 1 16 8  9  o 236.9996 2.619030 561.9440       12.42624      567.3282       18.76689      556.4889       16.28022      238.1368 3.940358 235.8624 3.451212 2.274429       5.238061 
1 1 1 16 8  10 o 240.7567 2.462843 580.0803       11.86657      601.1213       17.17996      558.9684       16.36524      245.1317 3.504230 236.3818 3.461611 8.749908       4.925686 
1 1 1 16 8  11 o 340.9484 2.906858 1163.278       19.82248      1139.190       27.58003      1187.365       28.48685      337.4193 4.086907 344.4775 4.134790 -7.058228      5.813716 
1 1 1 16 8  12 f 471.9979 3.703290 2230.206       34.96209      2226.664       49.44285      2233.749       49.43577      471.6227 5.241781 472.3732 5.232702 -0.7505493     7.406580 
1 1 1 16 8  13 o 289.0376 4.535686 836.6816       26.32607      818.2618       29.27323      855.8098       43.76107      285.8896 5.119674 292.1856 7.488574 -6.295990      9.071372 
1 1 1 16 8  14 o 279.8275 2.540311 783.5477       14.21863      772.2125       19.95709      794.8829       20.25464      277.8033 3.591946 281.8516 3.593138 -4.048279      5.080622 
1 1 1 16 8  15 o 205.3153 2.371809 421.8830       9.769550      408.3516       12.43333      435.4145       15.06169      202.0307 3.077089 208.5999 3.610185 -6.569214      4.743618 
1 1 1 16 8  16 o 40.22421 4.793180 16.75488       3.768963      12.54668       4.838017      20.95601       5.780259      34.72315 7.207486 45.72528 6.320638 -11.00212      9.586361 
1 1 1 16 8  17 o 331.7137 3.052382 1101.642       20.24755      1107.310       26.50318      1096.683       30.60512      332.5501 3.984840 330.8772 4.624845 1.672913       6.104764 
1 1 1 16 8  18 o 179.5408 2.454847 322.7706       8.813140      326.0295       12.42624      319.4409       12.50417      180.4589 3.442957 178.6227 3.500163 1.836166       4.909694 
1 1 1 16 8  19 o 128.1146 2.350153 164.2900       6.021840      163.7941       9.117774      164.8567       7.863815      127.8962 3.564520 128.3329 3.063834 -0.4366760     4.700307 
1 1 1 16 8  20 o 239.7748 2.340902 575.6879       11.22896      564.5652       15.57177      586.8814       16.18104      237.4540 3.278902 242.0957 3.341869 -4.641617      4.681804 
1 1 1 16 8  21 o 160.2300 2.106593 257.2389       6.759338      244.2033       9.124859      270.2035       9.975000      156.1817 2.921232 164.2783 3.036007 -8.096588      4.213186 
1 1 1 16 8  22 o 105.8266 2.318423 112.2188       4.908154      113.6357       7.105771      110.7310       6.772799      106.5086 3.335775 105.1446 3.220706 1.363930       4.636846 
1 1 1 16 8  23 o 134.1639 2.322034 180.3718       6.240752      184.6934       9.486169      176.1211       8.111773      135.7391 3.494266 132.5887 3.058999 3.150391       4.644068 
1 1 1 16 8  24 o 69.59628 3.113510 48.72023       4.358396      52.32625       6.775633      45.11421       5.484125      72.15425 4.695241 67.03830 4.090292 5.115952       6.227020 
1 1 1 16 8  25 o 184.5974 2.184968 341.6154       8.062181      351.1795       11.45567      332.0514       11.35648      187.1860 3.059968 182.0087 3.119764 5.177353       4.369935 
1 1 1 16 8  26 o 138.5456 2.299584 192.5572       6.366147      195.4619       8.317224      189.6525       9.634944      139.6253 2.978409 137.4658 3.504487 2.159439       4.599168 
1 1 1 16 8  27 o 109.7007 2.730742 120.8619       6.019006      117.6738       6.735959      124.1208       9.975000      108.3228 3.109207 111.0787 4.490060 -2.755920      5.461484 
1 1 1 16 8  28 o 19.51689 5.570831 1.850476       3.365855      1.186657       4.256378      2.514295       5.215622      18.03217 7.390681 21.00161 8.337534 -2.969437      11.14166 
1 1 1 16 8  29 o 18.31532 5.214885 -0.3947494     3.350268      4.259920       4.374690      -5.049136      5.075349      21.97980 7.850031 14.65085 6.867103 7.328950       10.42977 
1 1 1 16 8  30 o 239.5993 2.907677 578.0258       13.92816      573.4209       20.34674      582.6307       19.02901      238.5834 4.264071 240.6152 3.954242 -2.031799      5.815353 
1 1 1 16 8  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 8  32 o 127.9969 2.700527 165.2110       6.881900      160.3226       10.95975      170.0284       8.324308      125.9647 4.350327 130.0291 3.200942 -4.064415      5.401053 
1 1 1 16 8  33 o 44.32935 5.314002 20.70805       4.624773      21.99034       7.637110      19.43283       5.215622      45.08822 8.782426 43.57048 5.985271 1.517742       10.62800 
1 1 1 16 8  34 o 120.4384 2.677551 146.6495       6.458955      148.5623       10.42841      144.8075       7.622942      121.0127 4.308807 119.8641 3.179827 1.148666       5.355102 
1 1 1 16 8  35 o 34.70340 6.761030 13.30472       5.117856      12.46167       8.721042      14.15487       5.355896      33.45400 11.13334 35.95280 7.674294 -2.498802      13.52206 
1 1 1 16 8  36 o 100.8981 2.930414 103.7882       5.883692      101.5920       9.571183      106.0552       6.850020      99.47272 4.810959 102.3235 3.347236 -2.850815      5.860829 
1 1 1 16 8  37 o 60.92052 4.104105 39.07820       4.877691      35.25256       7.970083      42.89676       5.624399      57.28049 6.957066 64.56054 4.355911 -7.280048      8.208210 
1 1 1 16 8  38 o 88.81310 9.187709 112.5022       13.88566      75.45012       21.65029      149.5542       17.39958      64.26754 16.69602 113.3586 7.674569 -49.09110      18.37542 
1 1 1 16 8  39 o 48.30524 4.860983 26.09228       4.816055      31.80240       8.033843      20.38216       5.316930      53.19666 7.551080 43.41381 6.123547 9.782841       9.721967 
1 1 1 16 8  40 o 54.34732 4.017283 32.24164       4.441993      35.67764       7.814223      28.79856       4.223790      56.16679 6.956266 52.52785 4.020524 3.638943       8.034566 
1 1 1 16 8  41 o 42.30215 5.328437 21.84865       4.079265      15.40174       6.971166      28.28848       4.237958      32.97533 9.834845 51.62899 4.104243 -18.65366      10.65687 
1 1 1 16 8  42 o 55.32477 4.162704 35.70597       4.625482      38.11471       7.382068      33.30432       5.574099      56.23845 6.563186 54.41110 5.122207 1.827347       8.325408 
1 1 1 16 9  0  o 540.8201 5.867543 2927.323       63.44894      2927.323       63.44894      2927.323       63.44894      540.8201 5.867543 540.8201 5.867543 0.000000       0.000000 
1 1 1 16 9  1  o 404.4613 3.527834 1637.232       28.50101      1601.810       42.39376      1672.655       38.10054      400.0672 5.298329 408.8554 4.659415 -8.788177      7.055667 
1 1 1 16 9  2  o 267.7071 2.716460 716.9532       14.57285      736.0814       22.45084      698.1083       18.59686      271.2428 4.138513 264.1713 3.519848 7.071472       5.432920 
1 1 1 16 9  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 9  4  o 394.8532 3.257714 1560.011       25.72388      1570.638       36.49235      1549.384       36.27273      396.1982 4.605316 393.5082 4.608891 2.689941       6.515429 
1 1 1 16 9  5  o 556.9316 4.266884 3105.144       47.53003      3076.098       66.66531      3133.482       67.76341      554.3600 6.012817 559.5031 6.055678 -5.143066      8.533769 
1 1 1 16 9  6  o 146.8270 2.333990 215.7944       6.857105      228.5466       9.939578      203.1131       9.443663      151.1564 3.287846 142.4975 3.313623 8.658890       4.667979 
1 1 1 16 9  7  f 507.7116 3.953625 2580.181       40.14796      2562.470       56.47069      2597.184       57.07996      506.0045 5.580058 509.4188 5.602460 -3.414246      7.907250 
1 1 1 16 9  8  o 281.1182 2.866263 790.6322       16.11728      791.3406       24.44159      789.9238       21.01268      281.2346 4.345408 281.0017 3.738889 0.2329407      5.732526 
1 1 1 16 9  9  o 197.8639 2.479497 391.6321       9.797889      386.6022       15.52218      396.7330       11.95158      196.5742 3.948173 199.1536 3.000594 -2.579376      4.958995 
1 1 1 16 9  10 f 377.9641 3.250769 1429.656       24.59744      1439.574       39.14904      1419.737       29.78331      379.2383 5.161537 376.6898 3.953295 2.548492       6.501538 
1 1 1 16 9  11 o 196.5135 2.651082 386.4604       10.46383      394.1117       17.68296      378.7383       11.18645      198.4461 4.455354 194.5809 2.874500 3.865280       5.302163 
1 1 1 16 9  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 9  13 o 207.2248 2.339371 429.6051       9.698705      430.9512       15.34507      428.3299       11.86657      207.5278 3.697111 206.9218 2.867404 0.6059570      4.678743 
1 1 1 16 9  14 o 201.5603 2.304427 406.5805       9.337394      421.8830       15.01918      391.3488       11.09435      205.3324 3.657284 197.7883 2.804604 7.544144       4.608854 
1 1 1 16 9  15 o 231.7552 2.806973 537.5732       12.97884      531.6222       22.02577      543.5242       13.72979      230.4285 4.779305 233.0820 2.945272 -2.653442      5.613946 
1 1 1 16 9  16 o 219.9646 2.358179 484.2268       10.37173      484.2976       16.49276      484.1559       12.58919      219.9577 3.749074 219.9714 2.861551 -0.1368713E-01 4.716358 
1 1 1 16 9  17 o 132.2652 2.383738 175.1293       6.292469      169.9576       9.365732      180.3718       8.409323      130.2892 3.594208 134.2411 3.132171 -3.951874      4.767476 
1 1 1 16 9  18 o 91.39568 2.539487 83.66816       4.660904      86.64365       7.382068      80.69266       5.691702      93.00813 3.968507 89.78324 3.169691 3.224884       5.078975 
1 1 1 16 9  19 f 282.5905 2.655228 799.8421       14.99793      797.0083       23.68354      802.6758       18.41266      282.0338 4.198706 283.1470 3.251431 -1.113190      5.310455 
1 1 1 16 9  20 o 392.1254 3.317658 1542.300       26.13479      1591.183       42.15288      1493.416       30.89558      398.1932 5.293019 386.0577 4.001420 12.13547       6.635316 
1 1 1 16 9  21 o 165.0683 2.314023 272.9665       7.651280      279.7676       11.78864      266.0945       9.769550      167.1159 3.527085 163.0208 2.996413 4.095123       4.628047 
1 1 1 16 9  22 o 94.44851 2.685135 89.54830       5.123523      94.93254       8.529759      84.09322       5.682492      97.27112 4.384528 91.62590 3.100920 5.645218       5.370269 
1 1 1 16 9  23 f 65.64047 3.098696 43.32891       4.105478      46.63738       6.604187      40.02044       4.877691      68.12014 4.847456 63.16081 3.861326 4.959328       6.197392 
1 1 1 16 9  24 o 141.4149 2.280200 200.4919       6.428492      196.1703       10.18045      204.8134       7.856731      139.8435 3.639945 142.9864 2.747370 -3.142914      4.560399 
1 1 1 16 9  25 f 336.5431 2.982670 1138.482       20.00668      1106.602       31.10103      1169.654       25.18546      331.6962 4.688181 341.3900 3.688664 -9.693817      5.965340 
1 1 1 16 9  26 o 50.68187 3.734502 26.00727       3.707328      22.60670       5.779550      29.40783       4.643901      47.28344 6.111600 54.08029 4.293525 -6.796848      7.469003 
1 1 1 16 9  27 o 96.62372 2.619801 94.43663       4.989626      78.63815       7.204955      110.2351       6.908113      88.43964 4.073374 104.8078 3.295610 -16.36816      5.239601 
1 1 1 16 9  28 f 35.10671 5.211107 13.14886       3.657028      18.38432       5.439492      7.913406       4.889734      42.58476 6.386666 27.62866 8.236082 14.95610       10.42221 
1 1 1 16 9  29 o 142.7419 2.438009 204.8134       6.932909      195.3910       10.40007      214.2358       9.174451      139.3999 3.730300 146.0839 3.140131 -6.683945      4.876019 
1 1 1 16 9  30 o 58.22776 4.159709 34.48035       4.805429      31.81657       7.254546      37.15121       6.303804      55.87457 6.491814 60.58095 5.202794 -4.706383      8.319418 
1 1 1 16 9  31 o 83.41354 5.003622 72.04955       7.856731      58.75191       13.48184      85.29759       8.069265      74.96664 8.991891 91.86044 4.392134 -16.89380      10.00724 
1 1 1 16 9  32 o 20.85632 6.456844 -3.552177      5.876608      -9.323226      10.49926      2.221705       5.278674      21.08805 9.882990 20.62459 8.312032 0.4634533      12.91369 
1 1 1 16 9  33 o 60.33846 5.337564 37.83133       6.282550      35.74848       11.17229      39.92126       5.754045      57.95004 9.639585 62.72688 4.586587 -4.776844      10.67513 
1 1 1 16 9  34 o 107.6657 3.509668 118.5240       7.665448      125.6085       13.81481      111.4395       6.646695      110.2197 6.266941 105.1117 3.161730 5.108032       7.019336 
1 1 1 16 9  35 o 68.38597 5.018467 48.97527       6.694869      46.76490       12.05785      51.17855       5.815681      65.79912 9.162623 70.97282 4.097118 -5.173706      10.03693 
1 1 1 16 9  36 o 24.85432 7.081453 5.291427       5.761838      7.431659       10.64803      3.151194       4.405153      29.62860 11.86138 20.08005 7.739223 9.548555       14.16291 
1 1 1 16 9  37 o 68.26228 3.686315 48.56437       5.039217      49.71206       8.579351      47.40959       5.288592      68.45951 6.266004 68.06506 3.884954 0.3944550      7.372630 
1 1 1 16 9  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 9  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 9  40 o 28.22019 6.509074 10.69762       4.577307      13.63770       8.317224      7.764632       3.829182      30.96541 10.84726 25.47497 7.197851 5.490444       13.01815 
1 1 1 16 9  41 o 26.01035 6.433675 9.280719       4.574473      10.41424       8.218040      8.140111       4.025423      26.59754 10.49511 25.42315 7.444553 1.174389       12.86735 
1 1 1 16 10 0  o 286.0778 3.718530 818.9703       21.26772      818.9703       21.26772      818.9703       21.26772      286.0778 3.718530 286.0778 3.718530 0.000000       0.000000 
1 1 1 16 10 1  o 227.2434 2.400664 516.5322       10.91016      521.9872       15.51509      511.1480       15.34507      228.4355 3.395947 226.0513 3.394156 2.384186       4.801328 
1 1 1 16 10 2  f 141.8906 2.338287 201.4128       6.633943      196.8788       9.330310      205.9469       9.436578      140.2931 3.325292 143.4881 3.288279 -3.195023      4.676575 
1 1 1 16 10 3  o 268.7696 2.569818 722.6208       13.81481      720.4955       19.53910      724.7462       19.53202      268.3742 3.640272 269.1650 3.628261 -0.7908020     5.139636 
1 1 1 16 10 4  o 327.0519 2.969634 1069.762       19.41866      1068.345       30.71847      1071.888       23.76856      326.7625 4.700428 327.3413 3.630546 -0.5788879     5.939267 
1 1 1 16 10 5  o 780.2336 6.003151 6099.062       93.72817      6133.776       148.8457      6064.348       113.9899      782.2682 9.513726 778.1990 7.323955 4.069214       12.00630 
1 1 1 16 10 6  o 105.9479 2.992287 112.3605       6.364731      115.4068       10.27963      109.2433       7.509589      107.3945 4.785924 104.5014 3.593058 2.893112       5.984574 
1 1 1 16 10 7  o 548.3207 4.386497 3010.212       48.22431      3066.179       77.29209      2954.244       57.68923      553.3359 6.984192 543.3055 5.309097 10.03046       8.772995 
1 1 1 16 10 8  o 68.34659 3.851390 46.77907       5.294260      48.74857       8.487252      44.80958       6.326474      69.77778 6.081630 66.91539 4.727220 2.862389       7.702781 
1 1 1 16 10 9  o 612.6545 4.809639 3759.754       58.92902      3756.211       93.09056      3763.296       72.26208      612.2380 7.602482 613.0710 5.893451 -0.8330688     9.619278 
1 1 1 16 10 10 o 102.6431 2.646266 105.4176       5.423198      104.1424       8.600604      106.6928       6.609855      102.0147 4.215377 103.2715 3.200232 -1.256836      5.292531 
1 1 1 16 10 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 10 12 o 303.3080 2.787173 920.2789       16.92491      927.3634       26.93534      913.9028       20.49551      304.3883 4.424502 302.2277 3.390740 2.160583       5.574347 
1 1 1 16 10 13 o 203.8326 2.322991 415.7195       9.493254      422.6623       15.18921      408.7767       11.38482      205.5209 3.695295 202.1442 2.816015 3.376678       4.645981 
1 1 1 16 10 14 o 159.1460 2.504430 253.4841       8.012589      260.1435       13.53851      246.8246       8.579351      161.2159 4.198876 157.0761 2.730953 4.139771       5.008859 
1 1 1 16 10 15 o 250.6805 2.900036 629.1052       14.52326      626.2714       24.65412      631.9390       15.35923      250.0543 4.929753 251.3068 3.055874 -1.252487      5.800072 
1 1 1 16 10 16 o 184.7397 2.533590 341.6863       9.358648      338.2149       13.29056      345.1577       13.18429      183.7993 3.615508 185.6801 3.550270 -1.880768      5.067180 
1 1 1 16 10 17 o 162.0455 2.244129 262.8356       7.289969      267.5114       11.61861      258.2307       8.806056      163.4553 3.554063 160.6357 2.741002 2.819626       4.488258 
1 1 1 16 10 18 o 139.6563 2.249492 195.3201       6.301678      200.2793       10.01751      190.2902       7.651280      141.4243 3.541651 137.8884 2.774447 3.535889       4.498983 
1 1 1 16 10 19 o 64.49662 3.798554 41.89784       4.784883      36.76156       7.707955      47.03411       5.668323      60.48278 6.372025 68.51046 4.136830 -8.027676      7.597108 
1 1 1 16 10 20 o 271.6838 2.733587 739.6237       14.84206      731.1223       22.37999      748.1251       19.49659      270.0820 4.143185 273.2857 3.567072 -3.203674      5.467173 
1 1 1 16 10 21 o 151.1067 2.324082 228.9008       7.058305      241.7946       11.02351      216.0069       8.820225      155.3449 3.548076 146.8684 3.002764 8.476471       4.648165 
1 1 1 16 10 22 o 84.42558 2.801386 71.55363       4.780632      76.22942       7.906322      66.92036       5.372899      87.13316 4.536920 81.71800 3.287463 5.415154       5.602772 
1 1 1 16 10 23 o 220.1580 2.413043 485.9980       10.59844      476.3630       16.70529      495.7037       13.04260      217.8909 3.833408 222.4251 2.931907 -4.534210      4.826085 
1 1 1 16 10 24 o 251.7356 2.555581 635.6938       12.85840      632.5765       20.44592      638.8109       15.59302      251.0124 4.072691 252.4588 3.088231 -1.446381      5.111163 
1 1 1 16 10 25 o 107.8496 2.422666 116.6820       5.216331      115.0526       8.260548      118.3823       6.368274      107.0311 3.858947 108.6681 2.930149 -1.636963      4.845332 
1 1 1 16 10 26 o 134.7014 2.275168 182.0013       6.135900      183.7724       9.734127      180.2301       7.474166      135.3058 3.597084 134.0970 2.786851 1.208862       4.550335 
1 1 1 16 10 27 o 139.6757 2.377808 195.8869       6.643860      196.3828       10.10961      195.3910       8.621859      139.8084 3.615522 139.5430 3.089319 0.2653503      4.755617 
1 1 1 16 10 28 o 94.38802 2.854048 89.61916       5.387067      89.68999       7.651280      89.54830       7.587519      94.42321 4.051588 94.35284 4.020822 0.7037354E-01  5.708097 
1 1 1 16 10 29 o 28.49260 6.417045 8.125941       4.205369      5.897153       6.010505      10.35756       5.884400      25.69782 9.199040 31.28738 8.949385 -5.589565      12.83409 
1 1 1 16 10 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 10 31 o 149.2523 2.703001 224.6501       8.055097      214.1650       11.50526      235.1351       11.28564      145.7283 3.947502 152.7762 3.693520 -7.047836      5.406003 
1 1 1 16 10 32 o 26.82644 5.919312 6.728167       3.905694      2.142358       5.828433      11.31397       5.200744      21.28979 8.674218 32.36309 8.056734 -11.07330      11.83862 
1 1 1 16 10 33 o 154.4543 3.156640 242.0780       9.656199      235.8436       17.08077      248.2415       9.004422      151.8234 5.625211 157.0852 2.866096 -5.261749      6.313280 
1 1 1 16 10 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 10 35 o 66.34174 7.389504 49.27282       8.912323      45.46135       17.08786      53.08429       5.073223      60.28802 14.35766 72.39545 3.503827 -12.10743      14.77901 
1 1 1 16 10 36 o 76.38229 6.704818 65.02879       9.103605      59.75791       17.44917      70.29259       5.190826      69.44992 13.04277 83.31466 3.115194 -13.86474      13.40964 
1 1 1 16 10 37 o 47.05671 8.031252 26.55277       8.636027      27.63671       16.62736      25.46884       4.672948      44.42941 15.35868 49.68401 4.702668 -5.254601      16.06250 
1 1 1 16 10 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 10 39 o 34.03478 7.177623 14.12653       7.396237      13.38265       14.16904      14.86332       4.239376      31.07418 13.16225 36.99538 5.729601 -5.921200      14.35525 
1 1 1 16 10 40 o 46.95612 6.862289 28.86232       7.374983      17.16579       14.00609      40.55178       4.609896      31.58239 13.21699 62.32984 3.697985 -30.74745      13.72458 
1 1 1 16 10 41 o 50.00003 4.364204 28.79148       4.270547      27.83507       7.105771      29.75498       4.743084      47.60648 7.463030 52.39359 4.526398 -4.787117      8.728408 
1 1 1 16 11 0  o 539.3858 5.910109 2911.737       63.73941      2911.737       63.73941      2911.737       63.73941      539.3858 5.910109 539.3858 5.910109 0.000000       0.000000 
1 1 1 16 11 1  o 438.2158 3.655450 1922.030       32.05745      1929.823       50.88101      1913.528       39.00027      439.1058 5.793707 437.3258 4.458949 1.779968       7.310900 
1 1 1 16 11 2  o 108.5332 2.939788 117.9572       6.332142      112.0062       10.13086      123.8374       7.594603      105.8012 4.787688 111.2652 3.412838 -5.464050      5.879577 
1 1 1 16 11 3  o 225.6956 2.601492 509.5894       11.76738      515.8237       18.83773      503.3550       14.09111      227.0652 4.148089 224.3261 3.140764 2.739075       5.202984 
1 1 1 16 11 4  o 641.2504 5.026189 4118.230       64.39827      4086.350       101.4503      4149.402       79.34660      638.6834 7.942142 643.8173 6.162199 -5.133850      10.05238 
1 1 1 16 11 5  o 202.5181 2.586129 410.3353       10.47092      409.2726       16.69821      411.3271       12.63878      202.2535 4.128039 202.7827 3.116337 -0.5291443     5.172259 
1 1 1 16 11 6  o 366.1769 3.215178 1341.808       23.50643      1324.805       36.99535      1358.811       29.01818      363.8260 5.084209 368.5277 3.937042 -4.701721      6.430356 
1 1 1 16 11 7  o 402.4318 3.414968 1620.938       27.43834      1596.142       43.05970      1645.734       34.00569      399.3128 5.391726 405.5508 4.192532 -6.237946      6.829936 
1 1 1 16 11 8  o 507.0056 4.096779 2573.805       41.52944      2568.138       65.68056      2579.473       50.83850      506.3662 6.485481 507.6450 5.007288 -1.278778      8.193559 
1 1 1 16 11 9  o 383.8129 3.288048 1474.288       25.16421      1437.449       39.20572      1511.836       31.56153      378.9319 5.173188 388.6938 4.059947 -9.761871      6.576097 
1 1 1 16 11 10 o 150.4807 2.425831 227.2005       7.197870      203.7507       11.12269      250.5794       9.146112      142.6936 3.897405 158.2679 2.889440 -15.57433      4.851662 
1 1 1 16 11 11 f 201.2289 2.356323 405.1635       9.464915      398.9292       14.92708      411.3980       11.63986      199.6671 3.737991 202.7906 2.869922 -3.123428      4.712646 
1 1 1 16 11 12 o 407.1227 3.560952 1659.194       29.01818      1679.031       44.32783      1640.066       37.47001      409.4745 5.412771 404.7710 4.628545 4.703461       7.121904 
1 1 1 16 11 13 o 304.7064 2.797945 929.4888       17.13037      961.3691       27.65796      897.6085       20.22630      309.9000 4.462400 299.5128 3.376533 10.38718       5.595890 
1 1 1 16 11 14 o 208.4634 2.364618 434.8477       9.854564      432.8640       15.60719      436.9022       12.02951      207.9602 3.752448 208.9667 2.878333 -1.006500      4.729235 
1 1 1 16 11 15 o 172.2431 2.535815 296.9830       8.713958      292.9448       14.55160      301.0920       9.578268      171.0231 4.254279 173.4631 2.760895 -2.440018      5.071630 
1 1 1 16 11 16 o 160.6615 2.545553 258.7266       8.182618      274.5251       11.85948      242.8573       11.27147      165.5840 3.581107 155.7389 3.618706 9.845078       5.091106 
1 1 1 16 11 17 o 76.43550 2.908973 58.52520       4.442701      58.13556       7.032801      58.92194       5.430991      76.16107 4.617057 76.70993 3.539953 -0.5488586     5.817945 
1 1 1 16 11 18 o 137.7377 2.287245 190.0068       6.272632      183.3473       9.783719      196.6662       7.856731      135.3021 3.615508 140.1732 2.802508 -4.871048      4.574489 
1 1 1 16 11 19 o 226.6104 2.759670 514.6193       12.44041      501.2296       20.78598      528.0091       13.66603      223.5683 4.648686 229.6526 2.975371 -6.084305      5.519341 
1 1 1 16 11 20 o 327.9642 3.068659 1078.972       20.10586      1062.678       30.15879      1094.558       26.60237      325.4778 4.633002 330.4505 4.025167 -4.972656      6.137318 
1 1 1 16 11 21 o 222.6973 2.427311 497.0498       10.82514      502.5757       17.30039      491.4530       13.02134      223.8801 3.863764 221.5145 2.939163 2.365601       4.854622 
1 1 1 16 11 22 o 255.4786 2.562685 654.6803       13.14178      671.6832       21.05519      637.6774       15.72054      258.7015 4.069397 252.2557 3.115994 6.445862       5.125370 
1 1 1 16 11 23 o 137.1423 2.533616 188.7316       6.990294      194.5409       11.73196      182.8514       7.601687      139.1877 4.214440 135.0970 2.813419 4.090714       5.067231 
1 1 1 16 11 24 o 195.6837 2.464644 384.3351       9.684536      400.7712       15.06169      367.8990       12.17120      199.8166 3.768877 191.5507 3.177019 8.265930       4.929288 
1 1 1 16 11 25 o 19.04952 5.574215 0.5765380      3.591142      3.385691       5.392735      -2.233040      4.743793      22.22097 8.563212 15.87807 7.138550 6.342897       11.14843 
1 1 1 16 11 26 o 107.8369 2.579454 117.0362       5.512463      106.0552       8.253463      128.0172       7.311223      102.7182 4.017527 112.9556 3.236326 -10.23736      5.158908 
1 1 1 16 11 27 o 39.86195 5.086019 16.58486       3.895777      13.50309       5.795844      19.65954       5.207829      35.64499 8.280885 44.07890 5.907394 -8.433907      10.17204 
1 1 1 16 11 28 o 122.7317 2.528577 151.3961       6.213122      152.8130       9.528677      149.9792       7.970083      123.2540 3.865462 122.2094 3.260830 1.044632       5.057155 
1 1 1 16 11 29 o 244.9489 3.092382 604.9470       15.16795      611.2522       24.88791      598.6417       17.34998      245.8873 5.060837 244.0106 3.555171 1.876709       6.184764 
1 1 1 16 11 30 o 106.1734 3.262882 114.2024       6.978250      120.5076       11.30689      107.8972       8.182618      108.9369 5.189652 103.4099 3.956400 5.526978       6.525764 
1 1 1 16 11 31 o 132.0534 2.823850 175.9086       7.467082      178.0339       12.17829      173.8541       8.650196      132.6503 4.590373 131.4566 3.290135 1.193756       5.647699 
1 1 1 16 11 32 o 122.0064 2.861645 150.5460       7.002337      153.5215       11.46984      147.4997       8.033843      123.0100 4.662156 121.0029 3.319691 2.007133       5.723290 
1 1 1 16 11 33 o 72.77074 3.556338 54.30283       5.257421      61.88326       8.551013      46.71531       6.116064      77.73812 5.499884 67.80336 4.510148 9.934761       7.112676 
1 1 1 16 11 34 o 80.07613 6.357492 69.03154       9.535762      63.22932       18.19304      74.81251       5.734209      74.13429 12.27033 86.01797 3.333146 -11.88367      12.71498 
1 1 1 16 11 35 o 116.2960 3.486079 139.2108       8.225125      147.5705       15.12545      130.8510       6.456121      118.7290 6.369735 113.8630 2.835040 4.866043       6.972157 
1 1 1 16 11 36 o 57.30180 6.129619 36.76156       6.442660      34.55828       11.97283      38.97194       4.762921      52.87497 11.63637 61.72862 3.857952 -8.853653      12.25924 
1 1 1 16 11 37 o 43.55938 7.421989 24.65412       7.127024      28.65688       13.39682      20.65137       4.855729      43.20439 13.77599 43.91437 5.528633 -0.7099762     14.84398 
1 1 1 16 11 38 o 47.38563 7.767642 28.71355       8.175533      28.67104       15.67095      28.74897       4.684991      42.25965 14.88104 52.51161 4.460910 -10.25195      15.53528 
1 1 1 16 11 39 o 41.39773 6.716700 20.75055       6.698411      13.85023       12.71671      27.65796       4.213163      31.31676 12.79494 51.47869 4.092142 -20.16193      13.43340 
1 1 1 16 11 40 o 27.10611 7.101823 9.790804       6.637485      10.65512       12.58210      8.926493       4.232999      27.43062 12.01943 26.78161 7.568144 0.6490078      14.20365 
1 1 1 16 11 41 o 21.68888 6.810293 6.887568       6.662281      10.59844       12.71671      3.177407       3.977248      25.44958 11.55000 17.92818 7.219274 7.521397       13.62059 
1 1 1 16 12 0  o 15.16271 9.958505 -0.6794761     7.311223      -0.6794761     7.311223      -0.6794761     7.311223      15.16271 9.958505 15.16271 9.958505 0.000000       0.000000 
1 1 1 16 12 1  o 405.9144 3.364760 1648.567       27.31790      1623.063       38.11471      1674.780       39.14904      402.7330 4.732007 409.0958 4.784826 -6.362823      6.729520 
1 1 1 16 12 2  o 318.2054 2.881363 1013.086       18.33473      1018.045       26.00018      1008.127       25.86557      318.9842 4.075465 317.4267 4.074260 1.557556       5.762726 
1 1 1 16 12 3  o 500.0526 4.076811 2503.669       40.82099      2525.631       65.04295      2480.998       49.33658      502.2101 6.475672 497.8951 4.954516 4.314972       8.153623 
1 1 1 16 12 4  o 304.7739 2.901051 929.4888       17.72546      946.4916       28.47976      912.4859       21.11895      307.5375 4.630291 302.0102 3.496396 5.527252       5.802102 
1 1 1 16 12 5  o 220.9970 2.542579 488.6900       11.26438      496.1996       17.98759      481.1096       13.55268      222.6898 4.038711 219.3043 3.089926 3.385483       5.085158 
1 1 1 16 12 6  o 386.6881 3.324737 1496.250       25.66721      1474.997       40.31799      1518.212       31.77406      383.8564 5.251702 389.5198 4.078620 -5.663330      6.649475 
1 1 1 16 12 7  o 303.2038 2.856998 920.2789       17.32165      918.8620       27.47376      920.9873       21.10478      303.0031 4.533577 303.4045 3.477994 -0.4013672     5.713997 
1 1 1 16 12 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 12 9  o 330.7759 2.975399 1095.266       19.76581      1128.564       31.88033      1061.969       23.37891      335.7686 4.747365 325.7831 3.588109 9.985504       5.950799 
1 1 1 16 12 10 o 519.5513 4.165088 2703.452       43.33599      2731.082       69.05280      2676.531       52.37584      522.0619 6.613469 517.0408 5.064962 5.021118       8.330175 
1 1 1 16 12 11 o 225.4191 2.433135 508.5975       10.91724      489.8944       17.05243      527.3007       13.64478      221.2566 3.853543 229.5815 2.971663 -8.324951      4.866269 
1 1 1 16 12 12 o 476.8348 3.871462 2277.673       36.92451      2279.089       58.48978      2275.547       45.07879      476.9243 6.131977 476.7454 4.727764 0.1789856      7.742925 
1 1 1 16 12 13 o 198.9036 2.346399 396.0245       9.301972      384.7602       14.57285      407.2181       11.56193      196.0647 3.716337 201.7424 2.865519 -5.677689      4.692799 
1 1 1 16 12 14 o 31.80128 6.672191 10.73304       4.779216      14.88457       8.359732      6.586476       4.631858      37.86575 10.61475 25.73680 8.087004 12.12896       13.34438 
1 1 1 16 12 15 o 245.0191 2.506522 601.1213       12.29164      604.9470       19.63828      597.2249       14.79247      245.7655 3.995330 244.2727 3.027861 1.492828       5.013043 
1 1 1 16 12 16 o 142.5432 2.315645 203.8924       6.684951      222.8081       10.92433      184.9059       7.707955      149.1632 3.661870 135.9231 2.835411 13.24013       4.631290 
1 1 1 16 12 17 o 119.2240 2.374971 142.3280       5.661947      142.2571       8.947746      142.3988       6.942119      119.1750 3.754035 119.2729 2.910183 -0.9786987E-01 4.749942 
1 1 1 16 12 18 o 98.14833 2.532696 96.49113       4.963413      95.35760       7.870899      97.62466       6.049470      97.55035 4.034276 98.74631 3.063137 -1.195961      5.065391 
1 1 1 16 12 19 o 202.1678 2.699475 409.6268       10.95975      416.8530       18.69604      402.3297       11.42733      203.8685 4.585320 200.4671 2.850176 3.401398       5.398950 
1 1 1 16 12 20 o 81.22609 2.788830 66.14814       4.523465      65.42552       7.119940      66.87785       5.583308      80.75374 4.408428 81.69843 3.417023 -0.9446945     5.577659 
1 1 1 16 12 21 o 133.8570 2.552511 179.6634       6.833726      180.9386       9.847479      178.3882       9.479085      134.3264 3.665504 133.3875 3.553213 0.9388885      5.105021 
1 1 1 16 12 22 o 115.0274 2.643170 132.7639       6.076391      129.4341       8.713958      136.0936       8.473083      113.5748 3.836220 116.4800 3.637142 -2.905190      5.286340 
1 1 1 16 12 23 f 115.3597 2.697180 133.7557       6.288927      144.9492       10.23004      122.6330       7.325392      120.1283 4.257967 110.5912 3.311923 9.537033       5.394360 
1 1 1 16 12 24 o 171.5305 2.438107 295.3535       8.338477      284.5851       12.55377      306.1220       10.98100      168.3518 3.728433 174.7092 3.142652 -6.357422      4.876215 
1 1 1 16 12 25 o 35.16946 5.508875 12.72379       4.181991      4.196160       6.498628      21.25355       5.265214      24.45914 9.405612 45.87976 5.738057 -21.42062      11.01775 
1 1 1 16 12 26 o 68.71849 3.464339 47.76382       4.847227      52.68756       8.189702      42.84008       5.190826      72.16987 5.673907 65.26712 3.976601 6.902748       6.928678 
1 1 1 16 12 27 o 125.1828 2.954175 0.000000       0.000000      ?              ?             157.2054       7.396237      ?        ?        125.1828 2.954175 ?              ?        
1 1 1 16 12 28 o 227.5525 2.873735 521.2080       13.00717      508.8101       21.79906      533.6059       14.19029      224.5334 4.854302 230.5715 3.077199 -6.038101      5.747469 
1 1 1 16 12 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 12 30 o 96.46820 3.248091 94.29493       6.342061      101.8754       10.45675      86.71449       7.176617      100.1931 5.218298 92.74332 3.869075 7.449760       6.496182 
1 1 1 16 12 31 o 46.22997 4.943027 22.69880       4.248586      16.71238       6.373940      28.67813       5.620148      39.35896 8.350412 53.10099 5.291943 -13.74203      9.886053 
1 1 1 16 12 32 o 36.22322 5.694539 14.23988       4.037467      15.13253       6.183367      13.34723       5.194368      37.26796 8.483620 35.17849 7.598639 2.089466       11.38908 
1 1 1 16 12 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 12 34 o 65.07498 3.861940 43.59812       5.045594      45.07170       8.147196      42.11745       5.952412      65.92034 6.179576 64.22961 4.633697 1.690727       7.723879 
1 1 1 16 12 35 o 43.87334 8.175072 24.68954       8.388069      35.52885       16.05352      13.85732       4.859979      52.09998 14.74342 35.64669 7.068151 16.45329       16.35014 
1 1 1 16 12 36 o 27.43608 7.893268 7.141194       8.062181      9.025676       15.56469      5.257421       4.228040      32.35607 13.75408 22.51609 7.748552 9.839977       15.78654 
1 1 1 16 12 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 12 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 12 39 o 30.95949 5.660963 9.564099       5.089518      2.491625       9.358648      16.63445       4.006295      22.64583 10.10794 39.27315 5.100553 -16.62732      11.32193 
1 1 1 16 12 40 o 28.96567 6.461401 13.99192       5.195077      28.05469       9.585353      -0.7771716E-01 4.016213      42.98552 11.08183 14.94583 6.647690 28.03969       12.92280 
1 1 1 16 13 0  o 538.2809 5.920937 2900.402       63.72523      2900.402       63.72523      2900.402       63.72523      538.2809 5.920937 538.2809 5.920937 0.000000       0.000000 
1 1 1 16 13 1  o 123.4400 2.618515 152.5297       6.461789      159.4016       9.231127      145.6577       9.046929      126.2229 3.656677 120.6571 3.749025 5.565781       5.237030 
1 1 1 16 13 2  o 313.4857 2.836454 983.3311       17.78214      981.2057       25.10753      985.4564       25.19254      313.1470 4.008905 313.8243 4.013798 -0.6773071     5.672909 
1 1 1 16 13 3  o 309.5069 2.827196 958.5353       17.49876      957.1183       24.73914      959.9522       24.76039      309.2780 3.999498 309.7357 3.997020 -0.4576416     5.654392 
1 1 1 16 13 4  o 119.6095 2.579923 143.1781       6.173449      144.4533       8.791886      141.8320       8.664365      120.1569 3.658503 119.0620 3.638593 1.094833       5.159845 
1 1 1 16 13 5  o 239.3693 2.516075 573.2792       12.04368      576.1130       17.05243      570.4454       17.01701      239.9611 3.553167 238.7775 3.563362 1.183578       5.032151 
1 1 1 16 13 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 13 7  o 389.1195 3.329835 1515.378       25.95767      1535.215       41.47277      1496.250       31.22855      391.5685 5.295722 386.6705 4.038135 4.898010       6.659670 
1 1 1 16 13 8  o 283.8231 2.736124 806.2181       15.57885      823.9294       25.05086      788.5069       18.52601      286.9139 4.365570 280.7322 3.299589 6.181732       5.472247 
1 1 1 16 13 9  o 341.0746 3.030976 1164.695       20.68679      1170.362       32.87925      1158.319       25.12170      341.9182 4.808057 340.2309 3.691861 1.687347       6.061951 
1 1 1 16 13 10 o 126.1560 2.570894 159.3308       6.461080      151.0419       9.649114      167.6905       8.593520      122.8521 3.927126 129.4600 3.318987 -6.607895      5.141789 
1 1 1 16 13 11 o 257.5811 2.586973 664.0319       13.36140      675.9338       21.41650      652.1299       15.97559      259.8638 4.120715 255.2984 3.128807 4.565414       5.173947 
1 1 1 16 13 12 o 176.2509 2.334309 310.9395       8.210957      305.4136       13.00717      316.3945       10.01751      174.6763 3.723222 177.8256 2.816667 -3.149261      4.668618 
1 1 1 16 13 13 o 76.42851 3.012343 58.54646       4.568805      55.35843       7.226208      61.74158       5.589684      74.32534 4.861201 78.53168 3.558872 -4.206345      6.024686 
1 1 1 16 13 14 o 178.0665 2.729482 317.7406       9.847479      334.8851       17.10203      300.6670       9.755382      182.8028 4.677725 173.3303 2.814102 9.472549       5.458963 
1 1 1 16 13 15 o 339.5112 3.172738 1155.485       21.55819      1166.112       32.94301      1144.150       27.82090      341.0685 4.829383 337.9538 4.116080 3.114655       6.345476 
1 1 1 16 13 16 o 190.3033 2.354525 362.5856       8.969000      365.9153       14.31073      359.3267       10.82514      191.1360 3.743599 189.4707 2.856680 1.665237       4.709050 
1 1 1 16 13 17 o 134.6148 2.373010 181.5053       6.366856      176.2628       9.967916      186.7479       7.920490      132.6461 3.757334 136.5834 2.899507 -3.937317      4.746019 
1 1 1 16 13 18 o 18.89340 5.682046 0.4246460E-01  3.773214      1.389274       5.813555      -1.304968      4.812513      20.95645 8.621407 16.83036 7.403645 4.126095       11.36409 
1 1 1 16 13 19 o 196.8203 2.459227 388.2316       9.705790      400.0627       15.01918      376.4004       12.29872      199.7877 3.758785 193.8528 3.172180 5.934860       4.918454 
1 1 1 16 13 20 o 75.31616 3.029284 56.93827       4.568805      58.05762       6.909530      55.81892       5.979333      76.03946 4.543385 74.59286 4.007979 1.446594       6.058568 
1 1 1 16 13 21 o 110.2038 2.869451 122.1371       6.415740      132.6222       10.69762      111.6520       7.080976      114.8776 4.656096 105.5299 3.354961 9.347672       5.738902 
1 1 1 16 13 22 o 50.55041 5.043264 26.77239       4.700578      19.10695       7.046970      34.43784       6.222332      42.61322 8.569857 58.48759 5.319361 -15.87437      10.08653 
1 1 1 16 13 23 o 24.66796 6.545599 4.525590       4.608479      4.094851       8.040927      4.955620       4.504336      26.19094 10.36661 23.14498 7.994557 3.045963       13.09120 
1 1 1 16 13 24 o 104.9166 2.854138 111.0144       6.133776      124.2624       10.56302      97.76635       6.240043      111.1021 4.753741 98.73106 3.160121 12.37107       5.708277 
1 1 1 16 13 25 o 149.4744 2.683720 224.5792       8.055097      229.2550       13.70854      219.8326       8.465999      150.8859 4.542685 148.0630 2.858919 2.822937       5.367439 
1 1 1 16 13 26 o 129.2323 2.720612 167.9739       7.105771      176.9713       12.10036      158.9766       7.459997      132.5651 4.563930 125.8995 2.962680 6.665665       5.441225 
1 1 1 16 13 27 o 67.54317 3.354191 46.05645       4.554636      48.33058       7.204955      43.78232       5.573390      69.15041 5.209625 65.93594 4.226367 3.214462       6.708381 
1 1 1 16 13 28 o 139.0142 2.578061 194.3992       7.141194      189.5109       11.28564      199.2875       8.756464      137.1563 4.114151 140.8720 3.107950 -3.715729      5.156122 
1 1 1 16 13 29 o 51.08114 4.739292 26.84324       4.875566      29.67705       7.573349      24.00943       6.139443      53.71708 7.049294 48.44519 6.336483 5.271889       9.478584 
1 1 1 16 13 30 o 164.0945 2.466769 271.1245       8.069265      265.2444       12.76630      277.0047       9.875818      162.1637 3.936239 166.0253 2.974191 -3.861618      4.933537 
1 1 1 16 13 31 o 114.4099 3.148651 132.6930       7.233293      138.4315       11.13686      126.9546       9.216957      116.7755 4.768493 112.0443 4.113086 4.731186       6.297301 
1 1 1 16 13 32 o 119.0522 2.879447 143.6032       6.859231      144.4533       11.08727      142.6822       8.076350      119.1881 4.651166 118.9164 3.395810 0.2716522      5.758895 
1 1 1 16 13 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 13 34 o 59.37889 4.291940 36.84658       4.973331      32.17080       7.835476      41.52236       6.130942      55.15615 7.102994 63.60163 4.819799 -8.445484      8.583879 
1 1 1 16 13 35 o 161.6121 2.783005 267.5114       9.117774      286.7104       15.62845      248.2415       9.394071      166.6871 4.687958 156.5371 3.000589 10.15002       5.566011 
1 1 1 16 13 36 o 92.62285 4.542327 91.46112       8.444746      95.92437       15.30256      86.92703       7.134109      93.09615 8.218684 92.14955 3.870941 0.9466019      9.084655 
1 1 1 16 13 37 o 38.57771 6.700806 17.39958       6.845061      9.528677       12.68837      25.27047       5.145485      28.65704 12.30700 48.49838 5.304801 -19.84134      13.40161 
1 1 1 16 13 38 o 25.73644 6.544936 6.182659       5.418239      3.623022       9.960832      8.742295       4.268422      24.31805 10.67470 27.15483 7.575986 -2.836779      13.08987 
1 1 1 16 13 39 o 29.94522 7.130990 13.45350       5.545053      18.80939       10.25838      8.097604       4.211038      34.23657 12.04157 25.65388 7.642290 8.582687       14.26198 
1 1 1 16 13 40 o 30.15231 6.604352 12.72379       5.319765      11.28564       9.507423      14.15487       4.779924      26.65034 11.00393 33.65427 7.306387 -7.003929      13.20870 
1 1 1 16 14 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 14 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 14 2  o 169.2989 2.665498 287.6314       9.096521      257.3805       11.28564      317.8115       14.27530      160.3875 3.518241 178.2103 4.005186 -17.82277      5.330997 
1 1 1 16 14 3  o 122.4440 2.538711 149.9792       6.217373      148.6332       8.791886      151.3961       8.791886      121.8799 3.606783 123.0082 3.573701 -1.128250      5.077423 
1 1 1 16 14 4  o 341.5358 2.968586 1167.529       20.27589      1191.616       29.15988      1143.441       28.19638      345.0575 4.225365 338.0140 4.170889 7.043457       5.937173 
1 1 1 16 14 5  o 396.3610 3.275476 1572.763       25.97184      1606.060       37.41334      1539.466       36.03186      400.5539 4.670200 392.1680 4.593931 8.385834       6.550952 
1 1 1 16 14 6  o 93.65382 2.757488 87.77718       5.166030      86.57281       7.282885      88.98154       7.325392      93.01102 3.915065 94.29661 3.884228 -1.285583      5.514977 
1 1 1 16 14 7  o 159.5026 2.302980 254.6176       7.346645      261.2062       10.50634      247.9581       10.27255      161.5782 3.251163 157.4270 3.262639 4.151108       4.605961 
1 1 1 16 14 8  f 216.5553 2.464508 469.2784       10.67637      470.0578       17.07369      468.4283       12.82298      216.7254 3.939015 216.3853 2.962997 0.3400879      4.929015 
1 1 1 16 14 9  o 120.9722 2.508184 146.5787       6.011213      137.5813       9.549930      155.5760       7.304138      117.2430 4.072710 124.7015 2.928650 -7.458496      5.016369 
1 1 1 16 14 10 o 181.5713 2.469969 330.3510       8.919409      307.8223       13.34015      352.8090       11.83823      175.3691 3.803449 187.7736 3.152262 -12.40450      4.939937 
1 1 1 16 14 11 o 346.3453 3.196480 1201.534       22.11786      1184.531       33.33974      1218.537       29.07486      343.8529 4.847966 348.8376 4.167392 -4.984711      6.392960 
1 1 1 16 14 12 o 305.3408 2.839946 933.7395       17.32165      927.3634       27.43125      940.1155       21.17562      304.2388 4.508178 306.4428 3.455069 -2.204041      5.679892 
1 1 1 16 14 13 o 387.4240 3.325751 1504.752       25.83015      1530.964       41.40192      1477.830       30.89558      390.7309 5.298010 384.1171 4.021636 6.613831       6.651501 
1 1 1 16 14 14 o 222.4061 2.461402 495.2786       10.94558      494.9953       17.42083      495.5620       13.26222      222.3044 3.918237 222.5077 2.980170 -0.2032776     4.922804 
1 1 1 16 14 15 o 240.3553 3.501431 579.5844       16.84698      601.4047       24.56911      557.6933       23.04594      244.8800 5.016560 235.8305 4.886123 9.049545       7.002862 
1 1 1 16 14 16 o 76.02344 3.224001 58.04346       4.925865      62.83968       7.552096      53.25432       6.324349      79.15786 4.770276 72.88902 4.338342 6.268845       6.448002 
1 1 1 16 14 17 f 55.28774 4.366107 30.97351       4.933658      36.43568       8.168448      25.51135       5.537968      60.17137 6.787655 50.40411 5.493567 9.767254       8.732213 
1 1 1 16 14 18 o 139.6852 2.773651 195.6035       7.764632      197.7997       12.86548      193.4073       8.692703      140.4073 4.581487 138.9630 3.127704 1.444321       5.547302 
1 1 1 16 14 19 o 312.0848 3.410590 978.3719       21.28189      977.6635       34.85583      979.0804       24.42033      311.7304 5.590700 312.4391 3.908015 -0.7086792     6.821180 
1 1 1 16 14 20 o 51.54606 4.514327 26.84324       4.708370      28.43725       7.998421      25.24214       4.965539      52.98859 7.547305 50.10353 4.955278 2.885056       9.028654 
1 1 1 16 14 21 o 174.4067 2.800085 305.3427       9.804973      312.1438       16.20938      298.5416       11.03059      176.2374 4.598733 172.5760 3.195865 3.661362       5.600170 
1 1 1 16 14 22 o 230.2017 2.967754 532.5433       13.72979      547.3499       22.77672      517.7366       15.33090      233.2113 4.883280 227.1921 3.373995 6.019257       5.935509 
1 1 1 16 14 23 o 151.8696 2.391184 231.5929       7.212039      219.1950       11.25730      243.9908       9.018591      147.7320 3.810040 156.0073 2.890440 -8.275253      4.782369 
1 1 1 16 14 24 o 37.67271 5.366796 15.12545       3.955995      18.41975       6.281133      11.82406       4.809679      41.88362 7.789390 33.46179 7.384809 8.421825       10.73359 
1 1 1 16 14 25 o 37.47171 5.435473 14.96250       3.987167      17.81756       6.318681      12.11453       4.864938      41.10168 7.971119 33.84173 7.391802 7.259956       10.87095 
1 1 1 16 14 26 o 66.41214 3.471594 44.69622       4.516380      38.87983       7.037760      50.51261       5.661947      61.96974 5.678385 70.85454 3.995472 -8.884800      6.943188 
1 1 1 16 14 27 o 109.6904 2.732765 121.0036       6.000587      121.8537       9.557014      120.2243       7.254546      109.9737 4.345136 109.4071 3.315392 0.5666580      5.465531 
1 1 1 16 14 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 14 29 o 33.50819 6.170257 12.61753       4.543301      20.24047       7.459997      4.991043       5.183742      43.34052 8.911861 23.67588 8.536218 19.66464       12.34051 
1 1 1 16 14 30 o 71.46704 3.503803 51.85158       5.019381      52.78675       8.232210      50.92351       5.744127      71.93107 5.722291 71.00301 4.044989 0.9280624      7.007606 
1 1 1 16 14 31 o 116.5989 2.855866 137.5105       6.652362      137.4397       11.05185      137.6522       7.410406      116.2941 4.751681 116.9037 3.169450 -0.6095734     5.711731 
1 1 1 16 14 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 14 33 o 30.14825 5.826838 9.351563       4.367605      18.75980       6.604187      -0.6183367E-01 5.716498      41.34481 8.278983 18.95168 8.201623 22.39313       11.65368 
1 1 1 16 14 34 o 48.32584 4.821057 24.68246       4.621231      22.18871       6.752962      27.17621       6.310180      45.65761 7.395221 50.99408 6.187170 -5.336464      9.642115 
1 1 1 16 14 35 o 30.33461 6.565978 10.59135       4.418614      8.919409       6.480917      12.25622       6.007671      28.20131 9.597549 32.46790 8.962997 -4.266592      13.13196 
1 1 1 16 14 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 14 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 14 38 o 23.07885 6.563610 4.174906       5.569848      2.291842       10.23713      6.057263       4.397360      23.32049 10.48548 22.83721 7.898011 0.4832802      13.12722 
1 1 1 16 14 39 o 30.20984 6.696585 13.19137       5.108645      16.37940       9.450747      10.01042       3.883024      31.65376 11.51474 28.76593 6.840159 2.887829       13.39317 
1 1 1 16 14 40 f 39.81917 6.285606 22.30206       5.212788      23.80398       9.606606      20.80014       4.042426      36.23274 11.67697 43.40559 4.656573 -7.172855      12.57121 
1 1 1 16 15 0  o 150.8822 3.349141 228.0506       10.09544      228.0506       10.09544      228.0506       10.09544      150.8822 3.349141 150.8822 3.349141 0.000000       0.000000 
1 1 1 16 15 1  o 278.0338 2.643512 773.6293       14.71454      811.1773       21.54402      736.7899       20.04210      284.7159 3.783424 271.3517 3.693012 13.36423       5.287024 
1 1 1 16 15 2  f 42.97367 5.300731 19.02901       4.410112      22.83340       6.326474      15.22463       6.145820      47.73493 6.626671 38.21241 8.275157 9.522518       10.60146 
1 1 1 16 15 3  o 175.5001 2.359055 308.3182       8.281801      322.0622       12.00117      294.5742       11.42024      179.4134 3.344558 171.5867 3.327835 7.826736       4.718109 
1 1 1 16 15 4  o 185.2573 2.362694 343.3866       8.756464      342.1822       12.36248      344.5909       12.39791      184.9323 3.342434 185.5822 3.340274 -0.6498260     4.725389 
1 1 1 16 15 5  o 315.9338 2.817255 998.9170       17.80339      996.0833       25.15712      1001.751       25.19254      315.4855 3.987050 316.3821 3.981348 -0.8966064     5.634510 
1 1 1 16 15 6  o 346.6777 2.984653 1202.951       20.69388      1207.202       29.35824      1198.700       29.17405      347.2898 4.226764 346.0657 4.215103 1.224152       5.969307 
1 1 1 16 15 7  o 352.2163 3.015131 1241.916       21.25355      1194.450       29.12445      1290.091       30.95934      345.4386 4.215576 358.9940 4.311958 -13.55542      6.030262 
1 1 1 16 15 8  o 112.2677 2.498925 126.1753       5.610230      126.6003       7.877984      125.6794       7.991336      112.4734 3.502155 112.0620 3.565589 0.4114304      4.997850 
1 1 1 16 15 9  o 133.3195 2.371018 177.8922       6.322932      178.3882       8.926493      177.3963       8.954830      133.5056 3.343114 133.1333 3.363107 0.3723450      4.742035 
1 1 1 16 15 10 o 256.1474 2.611375 656.9474       13.35432      647.5249       21.09769      666.3698       16.37232      254.2695 4.148688 258.0253 3.172620 -3.755798      5.222751 
1 1 1 16 15 11 o 291.1832 2.786321 849.4337       16.15270      818.2618       25.17129      880.6056       20.25464      285.7840 4.403901 296.5823 3.414674 -10.79828      5.572642 
1 1 1 16 15 12 o 252.5291 2.711664 638.6693       13.70146      641.9990       21.04102      635.3395       17.55543      253.1545 4.155766 251.9037 3.484552 1.250717       5.423329 
1 1 1 16 15 13 f 114.6495 4.316762 132.6930       10.38590      151.2545       19.48951      114.0607       7.183701      122.5655 7.950651 106.7336 3.365248 15.83189       8.633525 
1 1 1 16 15 14 o 50.01569 5.079443 25.20671       5.154695      27.11953       8.770633      23.29390       5.423907      51.85776 8.456432 48.17362 5.629539 3.684139       10.15889 
1 1 1 16 15 15 o 104.2175 3.313289 109.5266       7.020757      125.7502       11.46275      93.30310       8.118857      111.9508 5.119548 96.48431 4.207346 15.46648       6.626578 
1 1 1 16 15 16 o 153.8555 2.741169 237.2605       8.458915      240.8028       14.40283      233.6474       8.883986      154.9455 4.647707 152.7654 2.907721 2.180038       5.482337 
1 1 1 16 15 17 o 52.52512 4.487773 27.84924       4.802595      30.74681       8.140111      24.94459       5.103686      55.21015 7.371933 49.84008 5.120063 5.370071       8.975547 
1 1 1 16 15 18 o 126.6733 2.784003 160.9602       7.018632      157.4180       11.83823      164.5025       7.537927      125.1954 4.727901 128.1512 2.941030 -2.955742      5.568007 
1 1 1 16 15 19 o 91.83235 2.760005 84.87252       5.132733      93.37395       8.359732      76.30025       5.963038      96.42829 4.334688 87.23642 3.417746 9.191872       5.520010 
1 1 1 16 15 20 o 87.92749 3.204814 77.71716       5.678949      80.69266       9.691620      74.74166       5.926908      89.52122 5.413030 86.33375 3.432555 3.187477       6.409628 
1 1 1 16 15 21 o 53.34641 3.994870 28.79856       4.312346      32.28415       6.905988      25.32006       5.167447      56.54621 6.106500 50.14661 5.152339 6.399593       7.989739 
1 1 1 16 15 22 o 70.62511 3.191562 50.24340       4.541884      53.67939       7.254546      46.80741       5.469248      72.99765 4.969028 68.25258 4.006624 4.745071       6.383124 
1 1 1 16 15 23 o 60.57819 3.652654 37.08745       4.479541      40.93435       7.240376      33.24764       5.273715      63.67498 5.685418 57.48139 4.587324 6.193588       7.305308 
1 1 1 16 15 24 o 123.9819 2.745290 154.5133       6.813181      155.5760       11.38482      153.5215       7.488335      124.2631 4.580934 123.7006 3.026798 0.5624847      5.490580 
1 1 1 16 15 25 o 160.8941 2.694802 260.4269       8.749379      273.1790       14.79956      247.6039       9.351563      164.6841 4.493316 157.1042 2.976230 7.579971       5.389605 
1 1 1 16 15 26 o 44.22530 5.518894 20.46009       4.646027      17.49876       7.509589      23.42141       5.472082      40.35831 9.458666 48.09229 5.689147 -7.733982      11.03779 
1 1 1 16 15 27 o 136.1222 2.998920 187.0313       8.090520      178.6007       13.21971      195.3910       9.337394      132.8425 4.975706 139.4018 3.349093 -6.559280      5.997839 
1 1 1 16 15 28 o 94.76515 3.374259 90.96520       6.412906      93.58647       10.09544      88.34394       7.913406      96.00385 5.257830 93.52647 4.230571 2.477379       6.748519 
1 1 1 16 15 29 o 210.1252 2.665251 445.1911       11.22188      455.0386       17.37124      435.3436       14.21154      212.2979 4.091241 207.9525 3.417016 4.345383       5.330502 
1 1 1 16 15 30 o 137.4799 2.654525 190.8569       7.297054      190.5027       11.10852      191.1403       9.464915      137.2592 4.046551 137.7005 3.436775 -0.4413605     5.309049 
1 1 1 16 15 31 o 56.40567 4.126967 32.68797       4.650278      32.50377       7.091603      32.86508       6.021840      56.12088 6.318150 56.69046 5.311159 -0.5695801     8.253934 
1 1 1 16 15 32 o 56.34986 4.306891 32.94301       4.842976      32.07870       7.247461      33.80024       6.425658      55.46084 6.533855 57.23888 5.613018 -1.778042      8.613782 
1 1 1 16 15 33 o 116.8884 2.643175 138.8566       6.180533      139.7775       9.847479      137.8647       7.474166      117.0452 4.206698 116.7315 3.201437 0.3137970      5.286351 
1 1 1 16 15 34 o 103.4449 2.859676 109.5975       5.897861      105.4885       8.841478      113.7065       7.807138      101.3067 4.363720 105.5832 3.697151 -4.276505      5.719351 
1 1 1 16 15 35 o 22.20679 6.277456 3.655611       4.271964      5.715081       6.434867      1.596142       5.621565      24.60396 9.388384 19.80962 8.335711 4.794333       12.55491 
1 1 1 16 15 36 o 34.20215 5.791564 14.19737       4.606353      5.501836       7.040594      22.89716       5.941077      23.33571 9.524998 45.06859 6.591149 -21.73288      11.58313 
1 1 1 16 15 37 o 33.08991 5.784483 13.21971       3.873815      13.13470       6.249961      13.31181       4.578724      32.22001 9.225430 33.95982 6.980861 -1.739803      11.56897 
1 1 1 16 15 38 o 28.75816 6.585929 10.26547       5.219164      8.862731       9.422408      11.66112       4.490876      26.44916 10.93978 31.06716 7.336154 -4.618002      13.17186 
1 1 1 16 15 39 o 21.94792 6.515356 7.332476       5.114314      15.66387       9.528677      -1.007418      3.717247      30.26996 11.46118 13.62588 6.200057 16.64408       13.03071 
1 1 1 16 16 0  o 117.2322 3.584926 137.8647       8.388069      137.8647       8.388069      137.8647       8.388069      117.2322 3.584926 117.2322 3.584926 0.000000       0.000000 
1 1 1 16 16 1  o 276.5072 2.646000 765.1279       14.62953      760.1688       20.61595      770.0871       20.77181      275.6112 3.740042 277.4032 3.743974 -1.792023      5.291999 
1 1 1 16 16 2  o 472.6846 3.760696 2237.999       35.56428      2182.740       49.19489      2293.259       51.36984      466.8546 5.268759 478.5145 5.367637 -11.65985      7.521392 
1 1 1 16 16 3  o 352.0690 3.034198 1241.208       21.36691      1221.371       29.79748      1260.336       30.63345      349.3071 4.265227 354.8310 4.316627 -5.523834      6.068396 
1 1 1 16 16 4  o 89.26164 2.828826 79.77167       5.047719      77.15040       7.176617      82.39294       7.098687      87.79288 4.087243 90.73040 3.911967 -2.937515      5.657653 
1 1 1 16 16 5  o 96.56470 2.715940 93.30310       5.245378      94.64915       7.424574      92.02789       7.410406      97.24324 3.817528 95.88615 3.864169 1.357094       5.431880 
1 1 1 16 16 6  o 247.6376 2.515395 613.8735       12.46167      627.9716       17.90258      599.7753       17.33581      250.4806 3.573646 244.7946 3.540890 5.685944       5.030790 
1 1 1 16 16 7  o 186.7200 2.350764 349.0542       8.784801      335.4519       12.13578      362.7273       12.69546      183.0719 3.314485 190.3681 3.334449 -7.296265      4.701528 
1 1 1 16 16 8  o 279.7473 2.860707 784.2562       16.03935      762.2941       20.55219      805.5097       24.63287      275.9228 3.724264 283.5718 4.343321 -7.649078      5.721415 
1 1 1 16 16 9  o 152.7535 2.695334 233.6474       8.232210      229.5384       11.66820      237.8272       11.61861      151.3965 3.853524 154.1106 3.769569 -2.714066      5.390667 
1 1 1 16 16 10 o 235.4460 2.856868 555.2845       13.45350      562.7233       19.24155      547.8458       18.80939      237.0214 4.059033 233.8707 4.021323 3.150650       5.713736 
1 1 1 16 16 11 o 105.4962 3.015754 111.5103       6.364022      112.2896       9.216957      110.7310       8.777717      105.8606 4.353345 105.1319 4.174623 0.7287827      6.031508 
1 1 1 16 16 12 o 364.2378 3.808149 1331.181       27.63671      1303.551       44.90876      1358.811       32.23455      360.2548 6.232917 368.2208 4.377069 -7.966003      7.616297 
1 1 1 16 16 13 o 29.41869 6.879635 -1.292925      7.700871      -14.65787      14.62953      12.07202       4.829516      24.85884 11.65303 33.97855 7.316040 -9.119715      13.75927 
1 1 1 16 16 14 o 126.6126 3.201876 160.7477       8.097604      158.2681       12.49000      163.2273       10.30089      125.6011 4.972092 127.6241 4.035635 -2.023033      6.403753 
1 1 1 16 16 15 o 92.72520 2.857254 86.21858       5.307721      87.13957       8.543928      85.22675       6.296719      93.20881 4.583220 92.24160 3.413167 0.9672089      5.714509 
1 1 1 16 16 16 o 376.4482 3.290432 1421.863       24.75331      1413.361       39.08529      1431.073       30.37841      375.1060 5.209899 377.7905 4.020537 -2.684540      6.580864 
1 1 1 16 16 17 o 67.02277 3.418108 45.18505       4.530550      41.89784       7.176617      48.47227       5.528758      64.53191 5.560518 69.51362 3.976745 -4.981712      6.836217 
1 1 1 16 16 18 o 279.2495 2.762350 782.8392       15.40883      775.0463       24.38491      789.9238       18.83773      277.7972 4.388977 280.7017 3.355472 -2.904510      5.524700 
1 1 1 16 16 19 o 30.24185 5.984531 9.301972       3.910654      7.289969       6.218790      11.31397       4.743084      27.69827 9.401456 32.78542 7.407500 -5.087154      11.96906 
1 1 1 16 16 20 o 166.9763 2.750536 279.9801       9.231127      286.9938       15.74888      272.8956       9.642029      168.9380 4.661142 165.0147 2.921567 3.923340       5.501073 
1 1 1 16 16 21 o 116.6877 2.826932 136.9437       6.508547      128.0172       10.74721      145.8702       7.339560      112.7646 4.765333 120.6108 3.042663 -7.846260      5.653865 
1 1 1 16 16 22 o 226.0197 2.852622 513.2733       12.91508      517.8782       21.74947      508.7392       13.92816      226.8036 4.794781 225.2359 3.091905 1.567657       5.705244 
1 1 1 16 16 23 o 65.85463 3.815835 43.83900       5.054803      45.51094       8.380984      42.16705       5.659113      66.99420 6.255008 64.71506 4.372331 2.279144       7.631670 
1 1 1 16 16 24 o 56.15267 4.647587 32.16371       5.112897      27.43834       7.792970      36.88908       6.618357      51.88018 7.510547 60.42516 5.476490 -8.544983      9.295174 
1 1 1 16 16 25 o 214.9113 2.713224 464.6027       11.68946      477.2131       18.16470      452.0631       14.72163      217.7072 4.171820 212.1153 3.470195 5.591873       5.426448 
1 1 1 16 16 26 o 112.8856 3.051262 128.4423       6.891819      129.2216       10.59135      127.7339       8.820225      113.1313 4.681001 112.6399 3.915230 0.4913559      6.102524 
1 1 1 16 16 27 o 92.60030 3.626484 87.06872       6.672198      82.25125       10.26547      91.95705       8.522675      89.85278 5.712381 95.34782 4.469255 -5.495041      7.252968 
1 1 1 16 16 28 o 19.43899 6.021543 -1.072596      4.483083      -0.3239042     6.619065      -1.822138      6.048761      20.43759 8.834762 18.44040 8.184309 1.997190       12.04309 
1 1 1 16 16 29 o 82.93403 3.156898 69.67623       5.223415      68.28767       8.147196      71.05771       6.535468      81.98351 4.968801 83.88454 3.895514 -1.901031      6.313796 
1 1 1 16 16 30 o 31.87760 6.405254 11.00934       4.335725      10.42133       6.784843      11.60444       5.400528      31.12952 9.788913 32.62567 8.263552 -1.496149      12.81051 
1 1 1 16 16 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 16 32 o 170.9650 2.532830 296.1328       8.664365      297.7623       13.81481      294.4326       10.45675      171.1497 4.035886 170.7804 3.061460 0.3692627      5.065660 
1 1 1 16 16 33 o 42.77039 5.207796 19.92875       4.206078      15.96142       6.516339      23.89608       5.320473      37.54669 8.818246 47.99410 5.542841 -10.44741      10.41559 
1 1 1 16 16 34 o 38.29464 5.966951 16.86824       4.511421      19.55327       7.275800      14.18321       5.332517      41.08141 9.096793 35.50787 7.724402 5.573540       11.93390 
1 1 1 16 16 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 16 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 16 37 o 14.67688 4.851506 -3.507545      3.592559      -5.095185      5.491210      -1.919196      4.634692      14.45234 6.893625 14.90142 6.828351 -0.4490738     9.703012 
1 1 1 16 16 38 o 61.36191 3.527135 41.09729       4.267005      38.19264       6.678575      44.00903       5.312680      58.37667 5.720243 64.34715 4.128140 -5.970470      7.054269 
1 1 1 16 16 39 o 31.03883 6.573633 14.41699       5.142652      14.67204       9.238212      14.16904       4.525590      28.41746 11.15459 33.66020 6.958859 -5.242735      13.14727 
1 1 1 16 17 0  o 114.9919 3.636760 132.6930       8.345562      132.6930       8.345562      132.6930       8.345562      114.9919 3.636760 114.9919 3.636760 0.000000       0.000000 
1 1 1 16 17 1  o 118.3505 2.510133 140.2026       5.943202      139.7775       8.451830      140.6277       8.352647      118.1703 3.576123 118.5308 3.523409 -0.3604889     5.020266 
1 1 1 16 17 2  o 194.2776 2.394680 377.8882       9.309056      390.8529       13.43225      364.9235       12.88674      197.6107 3.398664 190.9446 3.374470 6.666031       4.789360 
1 1 1 16 17 3  o 162.8630 2.383828 265.4569       7.764632      266.3070       11.03768      264.6776       10.92433      163.1124 3.383458 162.6137 3.358981 0.4986877      4.767656 
1 1 1 16 17 4  o 245.9240 2.557126 605.6554       12.58210      626.4839       18.31348      584.8270       17.26497      250.1505 3.660492 241.6975 3.571607 8.452942       5.114253 
1 1 1 16 17 5  o 96.26073 3.196502 92.87803       6.157155      96.84536       8.905238      88.91070       8.501422      98.31725 4.528829 94.20421 4.512230 4.113037       6.393004 
1 1 1 16 17 6  o 165.6432 2.743959 274.7376       9.089437      275.1627       13.02134      274.3834       12.68837      165.7577 3.927824 165.5287 3.832681 0.2290344      5.487918 
1 1 1 16 17 7  o 36.15656 6.511184 13.69437       4.741668      11.89491       6.673616      15.49384       6.738793      33.86107 9.481440 38.45206 8.926611 -4.590984      13.02237 
1 1 1 16 17 8  o 157.2717 2.721364 247.7456       8.558097      242.4322       12.07910      253.0590       12.12869      155.5829 3.881886 158.9604 3.815004 -3.377518      5.442729 
1 1 1 16 17 9  o 54.98312 4.544572 30.38550       4.991043      28.64271       7.053346      32.13537       7.064682      53.39525 6.604844 56.57100 6.244084 -3.175743      9.089145 
1 1 1 16 17 10 o 32.93379 6.694512 11.20062       4.718289      14.21154       6.968331      8.196787       6.364022      36.81286 9.424148 29.05472 9.510596 7.758146       13.38902 
1 1 1 16 17 11 o 129.5458 2.465107 168.1156       6.388110      171.1620       9.224042      164.9984       8.841478      130.7312 3.527865 128.3603 3.444007 2.370895       4.930214 
1 1 1 16 17 12 o 94.33009 2.770974 89.26492       5.223415      83.03055       7.289969      95.49931       7.481250      91.02793 4.004249 97.63226 3.831342 -6.604324      5.541948 
1 1 1 16 17 13 o 161.9287 2.568781 262.6939       8.310139      258.9391       12.56793      266.4487       10.87473      160.7484 3.909194 163.1090 3.333579 -2.360580      5.137562 
1 1 1 16 17 14 o 64.28186 4.010274 42.05370       5.005212      32.56044       7.374983      51.55404       6.770674      56.88253 6.482643 71.68118 4.722770 -14.79865      8.020549 
1 1 1 16 17 15 o 56.90359 3.956833 32.56044       4.480958      31.62529       7.219123      33.50268       5.311263      56.03270 6.441885 57.77449 4.596547 -1.741798      7.913667 
1 1 1 16 17 16 o 47.41147 4.756654 23.09553       4.273381      20.21213       6.822391      25.97184       5.147611      43.99362 8.053741 50.82932 5.063623 -6.835697      9.513308 
1 1 1 16 17 17 o 316.7059 2.972397 1006.710       18.83065      1009.544       29.98876      1004.585       22.78381      316.9265 4.731186 316.4853 3.599505 0.4411926      5.944793 
1 1 1 16 17 18 o 92.14839 3.233057 85.36844       5.898569      81.61364       9.861650      89.12323       6.479500      90.02272 5.477311 94.27406 3.436523 -4.251335      6.466114 
1 1 1 16 17 19 o 82.66843 3.275338 69.18740       5.567014      80.19674       9.486169      58.14973       5.827016      89.22566 5.315830 76.11121 3.827962 13.11446       6.550675 
1 1 1 16 17 20 o 80.23466 3.607876 64.95794       5.705871      60.01295       9.224042      69.91003       6.723916      77.05846 5.985093 83.41087 4.030600 -6.352402      7.215752 
1 1 1 16 17 21 o 45.27881 5.432614 21.20396       4.828807      22.53585       7.679617      19.87207       5.858188      46.26325 8.621147 44.29437 6.612791 1.968880       10.86523 
1 1 1 16 17 22 o 134.1613 2.812357 181.0094       7.545012      178.5298       11.04476      183.4890       10.27255      133.2100 4.145621 135.1126 3.801479 -1.902557      5.624714 
1 1 1 16 17 23 o 114.1422 2.810327 130.9927       6.402279      128.5132       9.861650      133.4723       8.168448      112.9993 4.363587 115.2851 3.542717 -2.285767      5.620653 
1 1 1 16 17 24 o 159.2155 2.887261 255.1843       9.231127      262.1272       15.03335      248.3124       10.71179      161.2120 4.662603 157.2190 3.406647 3.992981       5.774522 
1 1 1 16 17 25 o 55.70385 4.588471 31.71030       4.978999      27.34624       7.899237      36.07436       6.066473      51.66665 7.644425 59.74105 5.077306 -8.074398      9.176943 
1 1 1 16 17 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 17 27 o 174.0209 2.616217 305.1302       9.068183      296.9830       14.40283      313.2774       11.02351      171.5123 4.198772 176.5295 3.122286 -5.017136      5.232433 
1 1 1 16 17 28 o 84.82126 3.407049 73.46645       5.709413      61.59279       8.161365      85.29759       7.991336      77.82205 5.243607 91.82047 4.351610 -13.99841      6.814097 
1 1 1 16 17 29 o 49.56654 5.098930 26.43942       4.557470      18.03010       7.050512      34.85583       5.776008      40.60075 8.924779 58.53233 4.934031 -17.93158      10.19786 
1 1 1 16 17 30 o 39.35534 7.076368 14.44533       7.190785      2.973372       12.60336      25.92225       6.934327      28.86113 12.32576 49.84954 6.955256 -20.98842      14.15274 
1 1 1 16 17 31 o 43.14804 5.104030 19.94292       4.352019      23.49935       6.780592      16.39357       5.457204      47.32888 7.163271 38.96721 7.272689 8.361675       10.20806 
1 1 1 16 17 32 f 49.36328 4.499644 25.51135       4.445535      25.91516       6.899612      25.10753       5.607396      49.53545 6.964318 49.19111 5.699603 0.3443375      8.999289 
1 1 1 16 17 33 o 36.07188 5.974467 14.89874       4.274798      14.66495       6.746586      15.12545       5.253170      35.30377 9.389479 36.84000 7.390175 -1.536236      11.94893 
1 1 1 16 17 34 o 55.66234 4.576992 34.40950       5.077474      44.39867       7.885069      24.42033       6.401570      64.13544 6.147201 47.18923 6.782872 16.94621       9.153984 
1 1 1 16 17 35 o 32.09105 6.110611 12.26330       4.315888      7.800055       6.635359      16.72655       5.521673      26.11477 9.633565 38.06732 7.520153 -11.95255      12.22122 
1 1 1 16 17 36 o 77.88383 3.246867 63.90235       5.037800      61.81242       7.644195      65.99229       6.564514      76.23016 5.013891 79.53751 4.126678 -3.307350      6.493733 
1 1 1 16 17 37 o 29.90063 6.040410 11.70362       3.921280      15.79847       6.059388      7.608772       4.978291      35.09898 8.671216 24.70227 8.411671 10.39671       12.08082 
1 1 1 16 17 38 o 47.70699 4.409012 26.68029       4.227332      32.29123       6.558846      21.06936       5.334641      52.80608 6.210314 42.60791 6.260155 10.19817       8.818024 
1 1 1 16 18 0  o 134.5763 5.343132 182.2138       14.33198      182.2138       14.33198      182.2138       14.33198      134.5763 5.343132 134.5763 5.343132 0.000000       0.000000 
1 1 1 16 18 1  o 105.0497 3.204873 110.7310       6.720373      102.4421       9.436578      119.0199       9.578268      101.1060 4.666676 108.9933 4.393970 -7.887306      6.409746 
1 1 1 16 18 2  o 188.0341 2.808317 354.0842       10.56302      352.3839       15.08294      355.8553       14.78539      187.5697 4.020622 188.4986 3.921883 -0.9288940     5.616633 
1 1 1 16 18 3  o 304.8296 3.257050 931.6141       19.86499      949.3254       28.72772      913.1944       27.43834      307.7780 4.666955 301.8811 4.544560 5.896881       6.514099 
1 1 1 16 18 4  o 199.3543 2.802775 398.0790       11.17229      391.4904       15.80556      404.6677       15.79847      197.7018 3.997324 201.0069 3.929834 -3.305099      5.605550 
1 1 1 16 18 5  o 327.2155 3.805202 1074.721       25.07211      1133.523       40.29673      1015.920       29.84707      336.0564 5.995532 318.3747 4.687413 17.68170       7.610404 
1 1 1 16 18 6  o 98.46208 2.787456 97.27043       5.479167      90.18591       7.707955      104.2841       7.792970      94.88337 4.061805 102.0408 3.818556 -7.157425      5.574911 
1 1 1 16 18 7  o 179.4952 2.367360 322.5581       8.501422      318.8033       11.93741      326.3837       12.10036      178.4409 3.344921 180.5495 3.350981 -2.108582      4.734719 
1 1 1 16 18 8  o 118.7982 2.515358 141.3361       5.974374      141.1236       8.402238      141.5487       8.501422      118.7098 3.538983 118.8866 3.575432 -0.1768646     5.030717 
1 1 1 16 18 9  o 234.1279 2.502012 549.1918       11.72488      571.9331       17.03118      526.5214       16.11019      238.9671 3.563500 229.2888 3.513079 9.678268       5.004024 
1 1 1 16 18 10 o 111.0714 2.569190 123.6248       5.705871      128.5132       8.147196      118.7365       7.991336      113.2701 3.596356 108.8727 3.670037 4.397453       5.138381 
1 1 1 16 18 11 o 106.2071 2.884035 113.0689       6.116064      110.3059       9.231127      115.8319       8.019674      104.8898 4.400393 107.5245 3.729233 -2.634644      5.768070 
1 1 1 16 18 12 o 99.37784 2.962100 99.25409       5.933284      109.0307       9.287803      89.47746       7.382068      104.2677 4.453823 94.48792 3.906355 9.779823       5.924201 
1 1 1 16 18 13 o 24.86581 6.260646 5.376441       3.934033      6.298136       5.726415      4.455453       5.396277      26.15340 9.015952 23.57822 8.688807 2.575178       12.52129 
1 1 1 16 18 14 o 167.5941 2.412308 281.5387       8.090520      274.8793       11.34231      288.1982       11.52651      165.6103 3.424399 169.5778 3.398590 -3.967575      4.824616 
1 1 1 16 18 15 o 115.7330 2.556752 134.3224       5.922657      135.8102       9.309056      132.8347       7.332476      116.3376 4.000881 115.1285 3.184475 1.209099       5.113504 
1 1 1 16 18 16 o 219.4755 2.976049 483.7309       13.01426      472.6791       20.95601      494.7827       15.43716      216.8249 4.832471 222.1260 3.474866 -5.301102      5.952098 
1 1 1 16 18 17 o 67.62832 4.209680 46.33275       5.525924      39.85041       8.961915      52.82216       6.467456      62.74868 7.141118 72.50796 4.459826 -9.759277      8.419359 
1 1 1 16 18 18 o 46.85167 5.616167 22.74839       5.043468      20.84265       8.210957      24.64704       5.856062      44.29003 9.542153 49.41331 5.925591 -5.123287      11.23233 
1 1 1 16 18 19 o 114.4724 2.820761 131.7012       6.492253      137.8647       10.31506      125.6085       7.885069      117.0769 4.405250 111.8678 3.524279 5.209053       5.641521 
1 1 1 16 18 20 o 85.59747 3.281131 73.74983       5.596769      71.48279       8.628942      76.01688       7.134109      84.22254 5.122704 86.97241 4.101363 -2.749870      6.562262 
1 1 1 16 18 21 o 88.25397 3.223425 78.56730       5.635026      72.68716       8.692703      84.44745       7.176617      84.86202 5.121669 91.64592 3.915404 -6.783897      6.446851 
1 1 1 16 18 22 f 40.92145 5.830737 17.70421       4.629024      18.00176       7.219123      17.41375       5.793718      41.09272 9.029109 40.75017 7.380050 0.3425522      11.66147 
1 1 1 16 18 23 o 46.88079 5.286446 22.79798       4.803303      21.79906       7.410406      23.78981       6.109688      45.36646 8.481800 48.39512 6.312298 -3.028664      10.57289 
1 1 1 16 18 24 o 148.5412 2.691536 222.0288       7.962997      215.5110       12.67420      228.4757       9.634944      146.2425 4.333282 150.8399 3.193766 -4.597336      5.383072 
1 1 1 16 18 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 18 26 o 99.70351 3.099976 100.4585       6.194703      102.3713       9.946663      98.54564       7.389152      100.5116 4.948019 98.89545 3.735841 1.616127       6.199952 
1 1 1 16 18 27 o 78.94435 3.447521 63.20807       5.452245      64.22823       8.742295      62.19498       6.518465      79.42788 5.503291 78.46082 4.153962 0.9670639      6.895043 
1 1 1 16 18 28 o 76.91790 3.390950 60.21132       5.263797      65.01462       8.444746      55.40801       6.283967      79.86082 5.287164 73.97498 4.247360 5.885834       6.781900 
1 1 1 16 18 29 o 103.6822 2.916283 108.9599       6.033175      107.4721       9.627860      110.5185       7.268716      102.7513 4.685030 104.6131 3.474093 -1.861809      5.832567 
1 1 1 16 18 30 o 90.46410 3.215731 83.66816       5.747669      76.51279       8.891070      90.82352       7.289969      86.32952 5.149496 94.59869 3.853103 -8.269165      6.431462 
1 1 1 16 18 31 o 86.23253 3.113062 76.01688       5.341018      73.18307       8.324308      78.85069       6.693452      84.38749 4.932193 88.07758 3.799748 -3.690086      6.226124 
1 1 1 16 18 32 o 46.91641 5.067470 23.88191       4.543301      21.22522       6.985334      26.53860       5.812139      43.46927 8.331985 50.36355 5.770184 -6.894279      10.13494 
1 1 1 16 18 33 o 53.28930 4.408622 30.15879       4.743793      34.59370       7.459997      25.72388       5.860313      57.09129 6.533394 49.48731 5.921026 7.603981       8.817244 
1 1 1 16 18 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 18 35 o 16.24095 7.697380 0.000000       0.000000      ?              ?             -5.253878      6.725333      ?        ?        16.24095 7.697380 ?              ?        
1 1 1 16 18 36 o 19.42145 5.696540 2.910320       3.640734      3.525965       5.675407      2.293967       4.562429      20.56525 8.497272 18.27765 7.589377 2.287598       11.39308 
1 1 1 16 18 37 o 19.53447 5.824611 3.220622       3.900735      3.931199       5.960914      2.510045       5.032842      20.53805 8.610148 18.53089 7.846636 2.007156       11.64922 
1 1 1 16 18 38 o 30.54744 6.181246 13.74396       4.310221      19.70913       6.285384      7.778800       5.899278      37.80469 8.517300 23.29018 8.960290 14.51450       12.36249 
1 1 1 16 19 0  o 163.6140 4.950536 268.7866       16.16687      268.7866       16.16687      268.7866       16.16687      163.6140 4.950536 163.6140 4.950536 0.000000       0.000000 
1 1 1 16 19 1  o 102.3264 3.995352 105.7010       8.118857      89.40662       11.31397      121.9954       11.65403      94.36967 5.994498 110.2832 5.283686 -15.91349      7.990704 
1 1 1 16 19 2  o 174.5440 3.150578 305.4136       10.96683      313.6316       14.01318      297.1247       16.87532      176.9433 3.959793 172.1448 4.901491 4.798508       6.301157 
1 1 1 16 19 3  o 49.94985 6.508581 26.73697       6.008380      40.45260       6.813181      13.01426       9.897071      63.49992 5.364716 36.39979 11.86028 27.10013       13.01716 
1 1 1 16 19 4  f 122.1132 2.750091 149.3416       6.718957      148.3498       8.699788      150.4043       10.24421      121.7098 3.573989 122.5167 4.180742 -0.8068771     5.500182 
1 1 1 16 19 5  o 205.9555 2.676028 424.9294       11.02351      425.9212       14.21154      423.8667       16.84698      206.2342 3.445487 205.6768 4.095500 0.5573883      5.352056 
1 1 1 16 19 6  o 48.07381 4.563226 23.42850       4.327932      27.76423       6.108980      19.09278       6.133067      52.58372 5.808813 43.56389 7.039164 9.019829       9.126452 
1 1 1 16 19 7  o 92.26816 2.857348 85.43929       5.267339      92.09874       7.587519      78.77983       7.311223      95.87338 3.957052 88.66293 4.123044 7.210449       5.714695 
1 1 1 16 19 8  o 140.4627 2.453117 198.0123       6.898195      180.1593       9.330310      215.8652       10.15920      134.1171 3.478419 146.8084 3.460020 -12.69127      4.906235 
1 1 1 16 19 9  o 64.61559 3.749175 41.94743       4.857145      39.55286       6.419281      44.34200       7.289969      62.77851 5.112642 66.45267 5.485083 -3.674160      7.498349 
1 1 1 16 19 10 o 161.1226 2.410298 260.0727       7.771716      265.2444       11.12269      254.9009       10.84640      162.7240 3.417656 159.5211 3.399674 3.202881       4.820597 
1 1 1 16 19 11 o 137.9529 2.602847 190.8569       7.169532      182.3555       10.47092      199.2875       9.783719      134.8742 3.881735 141.0315 3.468628 -6.157349      5.205694 
1 1 1 16 19 12 o 157.0804 2.809231 247.4622       8.827310      247.1788       12.25622      247.7456       12.70254      156.9984 3.903294 157.1624 4.041215 -0.1640167     5.618463 
1 1 1 16 19 13 o 53.27958 5.616625 29.96751       5.955954      20.02085       6.831601      39.92126       9.762465      43.76838 8.108874 62.79078 7.773806 -19.02239      11.23325 
1 1 1 16 19 14 o 122.5304 2.932618 150.7585       7.183701      151.7504       9.826226      149.6959       10.48509      122.9651 3.995536 122.0958 4.293795 0.8692627      5.865235 
1 1 1 16 19 15 f 127.8695 2.881033 164.1483       7.367898      165.9902       10.01042      162.3063       10.80389      128.6087 3.891813 127.1303 4.249140 1.478432       5.762065 
1 1 1 16 19 16 o 141.4374 2.714126 200.9878       7.722124      187.7397       9.677451      214.2358       12.02951      136.8092 3.536843 146.0656 4.117846 -9.256439      5.428251 
1 1 1 16 19 17 o 219.9156 2.642722 485.7145       11.56193      466.6572       18.06552      504.7719       14.44533      215.4882 4.191766 224.3430 3.219475 -8.854797      5.285444 
1 1 1 16 19 18 o 139.0336 2.650641 194.1158       7.360813      193.0531       11.76738      195.1785       8.855647      138.5708 4.245984 139.4964 3.174148 -0.9256744     5.301283 
1 1 1 16 19 19 o 93.77605 3.048622 88.41478       5.740584      91.10690       9.245295      85.79351       6.806805      95.11452 4.860087 92.43757 3.681839 2.676949       6.097244 
1 1 1 16 19 20 o 94.49874 3.031890 90.04422       5.792302      97.34127       9.450747      82.74717       6.702662      98.25415 4.809337 90.74333 3.693198 7.510818       6.063781 
1 1 1 16 19 21 o 107.5550 3.236059 117.1071       7.162447      132.9764       12.45458      101.1669       7.078141      114.7407 5.427272 100.3693 3.526050 14.37145       6.472118 
1 1 1 16 19 22 o 138.4795 2.705008 192.9114       7.495420      193.4782       12.02243      192.2738       8.947746      138.5818 4.337664 138.3771 3.233102 0.2047119      5.410016 
1 1 1 16 19 23 o 98.91346 3.192594 98.61649       6.310180      98.33311       10.15920      98.97072       7.488335      98.63078 5.150115 99.19614 3.774510 -0.5653534     6.385187 
1 1 1 16 19 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 19 25 o 38.98101 6.611214 16.34398       5.217039      13.99192       8.451830      18.69604       6.116064      35.96898 10.84964 41.99304 7.557646 -6.024063      13.22243 
1 1 1 16 19 26 o 160.1913 2.646934 258.7266       8.494337      261.9855       13.50309      255.4677       10.30089      161.0347 4.192602 159.3479 3.232201 1.686783       5.293868 
1 1 1 16 19 27 o 94.79626 4.118615 92.16957       7.977167      100.5293       14.28239      83.80984       7.127024      98.51811 7.248610 91.07442 3.912748 7.443687       8.237229 
1 1 1 16 19 28 o 66.79074 3.824890 45.64555       5.069681      43.56979       8.019674      47.72131       6.208871      65.04834 6.164396 68.53315 4.529831 -3.484810      7.649781 
1 1 1 16 19 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 19 30 o 43.75449 5.524950 20.84265       4.586517      16.71946       7.148279      24.96584       5.746252      38.42747 9.371952 49.08151 5.853785 -10.65405      11.04990 
1 1 1 16 19 31 o 29.57900 6.410936 9.564099       4.308804      7.693786       6.734542      11.43441       5.376441      27.28231 9.740236 31.87569 8.338359 -4.593384      12.82187 
1 1 1 16 19 32 f 19.10086 5.924915 -0.4451203E-01 4.350603      0.7051929      6.870565      -0.7941744     5.338893      20.73657 8.983003 17.46515 7.728140 3.271412       11.84983 
1 1 1 16 19 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 19 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 19 35 o 21.94529 5.680304 3.499043       3.840517      -2.055927      5.807888      9.054014       5.027174      16.69489 7.647553 27.19570 8.401093 -10.50080      11.36061 
1 1 1 16 19 36 o 31.21093 5.193419 12.47583       3.874523      22.44375       6.065056      2.507919       4.823848      43.89204 6.909062 18.52983 7.755723 25.36221       10.38684 
1 1 1 16 19 37 o 32.99110 5.683557 14.65078       3.801552      19.08569       6.016172      10.20879       4.649569      38.22773 8.114341 27.75448 7.960448 10.47325       11.36711 
1 1 1 16 20 0  o 72.90730 4.892731 53.94861       7.068932      53.94861       7.068932      53.94861       7.068932      72.90730 4.892731 72.90730 4.892731 0.000000       0.000000 
1 1 1 16 20 1  o 102.5216 2.770270 105.3468       5.677533      101.4503       7.991336      109.2433       8.069265      100.6222 3.970960 104.4209 3.863816 -3.798714      5.540541 
1 1 1 16 20 2  o 127.0178 2.739346 161.8104       6.986042      172.1538       10.69054      151.4670       8.997337      131.0685 4.078225 122.9671 3.658434 8.101440       5.478692 
1 1 1 16 20 3  o 150.0885 2.657979 225.7127       7.991336      231.3804       12.15703      220.0451       10.37882      151.9550 4.000207 148.2219 3.501107 3.733093       5.315958 
1 1 1 16 20 4  o 116.0938 3.049303 135.2434       7.072474      142.6113       10.03876      127.8047       9.967916      119.2813 4.208021 112.9063 4.414244 6.375008       6.098605 
1 1 1 16 20 5  o 93.71122 3.326846 88.13139       6.226583      93.72817       8.827310      82.60548       8.784801      96.67783 4.565322 90.74461 4.840398 5.933212       6.653693 
1 1 1 16 20 6  o 138.7844 2.865109 193.0531       7.948828      191.6362       11.22188      194.4700       11.27147      138.2747 4.057821 139.2942 4.045922 -1.019531      5.730218 
1 1 1 16 20 7  o 138.0683 3.125176 192.0613       8.699788      217.5655       13.55977      166.4862       10.89599      147.2744 4.603574 128.8622 4.227767 18.41214       6.250352 
1 1 1 16 20 8  o 110.1412 3.537092 121.7829       7.785885      122.2788       9.032760      121.2869       12.68129      110.4362 4.089582 109.8461 5.772296 0.5900803      7.074184 
1 1 1 16 20 9  o 145.6544 4.016993 213.5274       11.88782      200.8461       10.80389      226.2086       21.17562      141.5443 3.816435 149.7646 7.069635 -8.220352      8.033985 
1 1 1 16 20 10 o 68.26962 5.230040 47.20414       7.061847      51.87284       9.238212      42.52836       10.68345      71.74149 6.438542 64.79776 8.243690 6.943726       10.46008 
1 1 1 16 20 11 o 161.0115 3.139406 260.4269       10.13795      271.2662       15.43008      249.5876       13.14886      164.3248 4.694993 157.6982 4.168995 6.626602       6.278812 
1 1 1 16 20 12 o 101.0048 3.075441 102.4421       6.200370      105.7010       8.303054      99.25409       9.209873      102.6226 4.045434 99.38703 4.633337 3.235527       6.150882 
1 1 1 16 20 13 f 155.3662 2.717641 242.3614       8.473083      230.8136       10.76138      253.9091       13.09927      151.7024 3.546874 159.0300 4.118492 -7.327591      5.435282 
1 1 1 16 20 14 o 109.4936 2.742906 120.4368       6.003421      128.0172       8.579351      112.8564       8.395153      112.9510 3.797821 106.0363 3.958622 6.914673       5.485812 
1 1 1 16 20 15 o 29.11762 6.565068 8.529759       4.305970      8.664365       5.937534      8.395153       6.237917      29.20211 9.152234 29.03314 9.414725 0.1689720      13.13014 
1 1 1 16 20 16 o 103.4881 2.843037 107.7555       5.886526      99.82085       8.040927      115.6902       8.600604      99.67108 4.033731 107.3051 4.007548 -7.633980      5.686074 
1 1 1 16 20 17 o 73.81618 3.455839 54.88376       5.102978      53.58021       7.091603      56.18023       7.339560      72.94455 4.860954 74.68781 4.913493 -1.743263      6.911677 
1 1 1 16 20 18 o 69.45145 3.270306 48.59979       4.549677      51.19273       6.745878      45.99977       6.106854      71.29736 4.730805 67.60553 4.516534 3.691826       6.540611 
1 1 1 16 20 19 o 64.91515 3.877912 42.68422       5.095185      46.56654       8.303054      38.80191       5.904946      67.78867 6.124220 62.04161 4.758859 5.747059       7.755825 
1 1 1 16 20 20 f 25.43081 6.694058 5.310555       4.599977      6.023257       7.417490      4.597852       5.440201      27.22673 10.15710 23.63488 8.722093 3.591848       13.38812 
1 1 1 16 20 21 o 92.06516 3.710428 85.65182       6.847895      86.92703       11.73196      84.44745       7.063264      92.50330 6.341374 91.62701 3.854357 0.8762970      7.420856 
1 1 1 16 20 22 o 50.00834 5.962492 26.57403       5.491918      19.47534       8.905238      33.67979       6.428492      42.35251 10.54205 57.66416 5.574079 -15.31165      11.92498 
1 1 1 16 20 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 20 24 o 30.73288 7.142948 9.911241       5.244668      14.23988       8.579351      5.579766       6.036717      36.26390 10.92969 25.20185 9.199386 11.06205       14.28590 
1 1 1 16 20 25 o 26.43855 6.790669 4.944285       5.117147      1.102351       8.451830      8.784801       5.775299      23.94453 10.15515 28.93256 9.018071 -4.988031      13.58134 
1 1 1 16 20 26 o 103.9874 3.040236 109.5266       6.349145      113.7065       10.10961      105.3468       7.686701      105.8225 4.776681 102.1523 3.762372 3.670166       6.080471 
1 1 1 16 20 27 o 28.94807 6.281612 7.530843       4.640359      1.278755       7.254546      13.78647       5.790176      22.35154 9.440359 35.54461 8.289404 -13.19307      12.56322 
1 1 1 16 20 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 20 29 o 112.5582 2.840526 128.7965       6.355521      122.8455       9.847479      134.7475       8.040927      109.7350 4.486938 115.3814 3.484499 -5.646454      5.681051 
1 1 1 16 20 30 o 62.08843 3.875313 40.26840       4.858562      47.77090       7.644195      32.77298       5.997045      67.86112 5.632234 56.31573 5.324484 11.54539       7.750625 
1 1 1 16 20 31 o 57.83397 4.226492 35.33757       4.903194      36.76156       7.672533      33.91359       6.108272      58.70031 6.535343 56.96762 5.361178 1.732693       8.452984 
1 1 1 16 20 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 20 33 o 28.71759 6.604145 10.08127       4.594310      15.40883       7.219123      4.755837       5.686034      34.98697 9.882318 22.44822 8.763488 12.53875       13.20829 
1 1 1 16 20 34 o 43.49382 4.992613 21.52276       4.135942      18.92983       6.334976      24.12278       5.319765      39.73450 8.247364 47.25314 5.629006 -7.518642      9.985226 
1 1 1 16 20 35 o 19.37925 5.707864 2.596476       3.761879      1.341808       5.877316      3.851852       4.697035      18.79178 8.224586 19.96672 7.916755 -1.174936      11.41573 
1 1 1 16 20 36 o 26.46567 5.915088 8.969000       3.887275      5.447286       6.038843      12.49000       4.897527      21.78018 8.844339 31.15117 7.856892 -9.370991      11.83018 
1 1 1 16 21 0  o 151.6642 3.521622 230.6011       10.66928      230.6011       10.66928      230.6011       10.66928      151.6642 3.521622 151.6642 3.521622 0.000000       0.000000 
1 1 1 16 21 1  o 131.6167 2.554876 173.5707       6.726042      171.2328       9.450747      175.9086       9.571183      130.7301 3.614601 132.5032 3.611680 -1.773087      5.109752 
1 1 1 16 21 2  o 233.9219 2.573020 548.3417       12.03660      556.4180       17.17996      540.1945       16.86824      235.6516 3.645203 232.1923 3.632385 3.459290       5.146040 
1 1 1 16 21 3  o 38.95205 5.805951 15.96142       4.388151      13.54560       6.121023      18.37724       6.289635      35.88794 8.622648 42.01615 7.777287 -6.128204      11.61190 
1 1 1 16 21 4  o 72.76839 3.847167 53.28266       5.622273      49.12404       7.254546      57.44127       8.593520      69.93980 5.186279 75.59696 5.683774 -5.657158      7.694334 
1 1 1 16 21 5  o 125.5393 2.941667 158.0556       7.389152      157.4180       10.03876      158.6932       10.83931      125.2992 4.005917 125.7794 4.308858 -0.4802094     5.883335 
1 1 1 16 21 6  o 78.44597 3.980286 61.90452       6.237210      59.77208       8.983169      64.02987       8.657280      77.08094 5.827101 79.81100 5.423614 -2.730064      7.960571 
1 1 1 16 21 7  o 148.5610 3.096300 221.5329       9.188620      216.7154       13.51017      226.3504       12.46167      146.9179 4.597867 150.2042 4.148243 -3.286285      6.192601 
1 1 1 16 21 8  o 192.1767 3.149705 370.9453       12.07910      356.6346       17.79631      385.2561       16.33690      188.4204 4.722500 195.9330 4.169000 -7.512619      6.299410 
1 1 1 16 21 9  o 198.2033 3.341089 394.7493       13.23388      396.5913       16.10311      392.9073       21.00560      198.7924 4.050232 197.6141 5.314802 1.178329       6.682178 
1 1 1 16 21 10 o 42.18851 6.795709 19.48951       6.221623      31.63946       10.06710      7.339560       7.311223      55.73193 9.031717 28.64510 10.15651 27.08683       13.59142 
1 1 1 16 21 11 o 49.65226 5.709037 25.89391       5.398402      32.86508       7.693786      18.92275       7.573349      57.02468 6.746015 42.27983 9.212149 14.74484       11.41807 
1 1 1 16 21 12 o 110.9225 3.048839 123.9082       6.692744      136.7312       8.862731      111.0852       10.03168      116.7322 3.796180 105.1127 4.771866 11.61951       6.097679 
1 1 1 16 21 13 o 73.38002 3.796344 54.47995       5.618731      47.40959       6.991002      61.55029       8.798972      68.62517 5.093614 78.13487 5.630630 -9.509705      7.592687 
1 1 1 16 21 14 o 150.3828 2.779435 227.2005       8.331393      235.6311       10.86765      218.8407       12.63170      153.2240 3.546329 147.5416 4.280723 5.682327       5.558870 
1 1 1 16 21 15 o 108.0013 3.117424 117.7447       6.800429      103.7173       8.324308      131.7720       10.75430      101.5874 4.097116 114.4153 4.699677 -12.82787      6.234848 
1 1 1 16 21 16 o 110.8547 2.825837 123.4832       6.269090      120.7910       8.501422      126.1753       9.216957      109.6616 3.876208 112.0478 4.112958 -2.386230      5.651673 
1 1 1 16 21 17 o 85.27066 3.167591 73.18307       5.402653      73.11222       7.431659      73.32476       7.842561      85.22435 4.360056 85.31697 4.596132 -0.9262085E-01 6.335181 
1 1 1 16 21 18 o 70.48693 3.651107 50.15130       5.148319      48.67772       7.155363      51.61780       7.403321      69.45510 5.151071 71.51876 5.175789 -2.063660      7.302214 
1 1 1 16 21 19 o 152.4171 2.619464 233.5057       7.984251      230.7427       11.16520      236.2687       11.42024      151.5195 3.684410 153.3147 3.724445 -1.795166      5.238928 
1 1 1 16 21 20 o 110.6306 3.134221 123.4123       6.869856      116.8237       11.04476      130.0009       8.175533      107.5308 5.135627 113.7305 3.594259 -6.199631      6.268441 
1 1 1 16 21 21 o 18.21850 6.046609 -6.865606      5.557096      -6.658030      9.160281      -7.073183      6.288218      20.59224 9.502450 15.84476 7.479932 4.747478       12.09322 
1 1 1 16 21 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 21 23 o 152.7005 3.040461 235.7019       9.231127      222.0997       13.98484      249.3042       12.05785      148.1349 4.720306 157.2662 3.833579 -9.131332      6.080923 
1 1 1 16 21 24 o 53.88548 5.726233 30.95226       5.722165      23.61270       8.813140      38.29182       7.297054      46.52300 9.781279 61.24796 5.956976 -14.72496      11.45247 
1 1 1 16 21 25 o 46.09286 6.299862 23.20888       5.499711      13.99192       9.089437      32.43292       6.191869      35.80655 11.34015 56.37918 5.491272 -20.57264      12.59972 
1 1 1 16 21 26 o 72.26880 3.757981 53.53770       5.497586      59.57371       8.848563      47.49461       6.523424      76.21185 5.805241 68.32576 4.773766 7.886086       7.515961 
1 1 1 16 21 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 21 28 o 51.36659 4.814990 27.58003       4.934367      27.33916       7.729208      27.81382       6.138735      50.87360 7.596483 51.85959 5.918612 -0.9859886     9.629980 
1 1 1 16 21 29 o 41.38440 5.633468 18.66770       4.562429      18.44808       7.012255      18.89441       5.839059      40.45503 8.907175 42.31377 6.899716 -1.858738      11.26694 
1 1 1 16 21 30 o 48.88789 5.501005 27.52335       4.745918      15.39466       7.275800      39.65913       6.093394      35.95574 9.836451 61.82005 4.928331 -25.86431      11.00201 
1 1 1 16 21 31 o 23.51505 6.762129 4.439867       5.020798      5.622273       7.977167      3.257461       6.100478      25.35016 10.21743 21.67994 8.860573 3.670216       13.52426 
1 1 1 16 21 32 o 23.25779 6.477394 4.884067       4.899652      12.24205       7.580434      -2.472497      6.212414      29.72951 10.36126 16.78606 7.776300 12.94345       12.95479 
1 1 1 16 21 33 o 25.54352 6.510465 7.842561       4.288967      9.712874       6.457538      5.967289       5.645652      27.75638 9.573679 23.33066 8.825492 4.425724       13.02093 
1 1 1 16 21 34 o 21.51338 6.009782 4.704828       3.855394      4.412238       5.808597      4.997419       5.071097      21.44229 8.687144 21.58446 8.306832 -0.1421700     12.01956 
1 1 1 16 21 35 o 25.45934 6.157136 8.721042       3.829182      11.40607       5.903528      6.039551       4.879108      28.70226 9.144163 22.21642 8.247764 6.485836       12.31427 
1 1 1 16 21 36 o 31.02484 6.006149 13.90691       3.981499      18.88733       6.218790      8.933578       4.974040      36.91398 8.579028 25.13570 8.408065 11.77828       12.01230 
1 1 1 16 22 0  o 283.7877 4.589848 807.6351       26.03560      807.6351       26.03560      807.6351       26.03560      283.7877 4.589848 283.7877 4.589848 0.000000       0.000000 
1 1 1 16 22 1  o 28.46742 6.855605 4.732458       5.580475      -4.185533      8.345562      13.65187       7.410406      20.89308 9.426619 36.04176 9.956712 -15.14868      13.71121 
1 1 1 16 22 2  o 116.9680 3.289152 137.3688       7.700871      138.4315       11.42733      136.3770       10.31506      117.3815 4.867600 116.5545 4.424992 0.8269882      6.578304 
1 1 1 16 22 3  o 181.7126 2.820930 331.2720       10.25838      327.3047       13.99192      335.2394       14.99793      180.6413 3.872847 182.7839 4.102638 -2.142624      5.641860 
1 1 1 16 22 4  o 172.9090 2.809855 299.9585       9.719957      293.6533       13.20554      306.3346       14.27530      171.0977 3.859066 174.7204 4.085186 -3.622711      5.619709 
1 1 1 16 22 5  f 36.17811 5.743538 13.80064       4.383191      21.72822       6.266964      5.870940       6.130233      46.38599 6.755234 25.97023 9.290843 20.41576       11.48708 
1 1 1 16 22 6  o 69.59297 3.533281 48.86192       4.906737      43.19431       6.779883      54.53662       7.091603      65.52711 5.173342 73.65883 4.813817 -8.131714      7.066562 
1 1 1 16 22 7  o 82.92775 3.157199 69.09531       5.235459      70.44845       7.360813      67.73508       7.445828      83.74792 4.394625 82.10757 4.534191 1.640350       6.314397 
1 1 1 16 22 8  o 41.70782 5.728224 18.29931       4.617689      16.35815       6.097645      20.23338       6.936451      39.46123 8.005113 43.95441 8.195633 -4.493179      11.45645 
1 1 1 16 22 9  o 31.87836 6.461808 10.57718       4.377523      12.70963       6.230125      8.451830       6.150779      34.67200 8.931639 29.08471 9.340541 5.587296       12.92362 
1 1 1 16 22 10 o 25.29108 6.582615 4.473873       4.674365      9.309056       7.011548      -0.3632941     6.184076      30.61992 9.982715 19.96224 8.583047 10.65767       13.16523 
1 1 1 16 22 11 o 131.1495 2.877647 172.7914       7.559181      177.4672       11.47692      168.1156       9.847479      132.8881 4.318264 129.4109 3.804735 3.477264       5.755294 
1 1 1 16 22 12 o 36.72145 6.959063 14.34615       5.298511      10.76138       7.367898      17.93091       7.615856      32.41574 10.20233 41.02716 9.467133 -8.611416      13.91813 
1 1 1 16 22 13 o 160.3517 2.754698 258.3015       8.841478      261.1353       13.21263      255.4677       11.74613      161.1926 4.098397 159.5107 3.681926 1.681931       5.509395 
1 1 1 16 22 14 o 52.11260 6.714428 29.02527       6.528384      38.95776       8.012589      19.08569       10.30797      62.03720 6.457892 42.18800 11.77412 19.84920       13.42886 
1 1 1 16 22 15 o 96.18532 3.351698 93.23225       6.466748      88.27309       8.373900      98.26226       9.861650      93.64688 4.470998 98.72376 4.994567 -5.076881      6.703396 
1 1 1 16 22 16 o 110.2648 3.100712 122.4913       6.859938      116.4695       8.848563      128.5132       10.48509      107.5980 4.111862 112.9317 4.642225 -5.333694      6.201425 
1 1 1 16 22 17 o 134.4782 2.893012 181.8596       7.785885      179.0258       10.10252      184.7642       11.85948      133.4729 3.784484 135.4834 4.376728 -2.010529      5.786023 
1 1 1 16 22 18 o 42.29617 6.421923 19.11403       5.289301      20.56635       6.808222      17.65462       8.097604      44.15176 8.004606 40.44058 10.04443 3.711174       12.84385 
1 1 1 16 22 19 o 44.18436 6.449286 20.73638       5.584017      26.13479       7.367898      15.33798       8.388069      50.59694 7.280972 37.77177 10.64709 12.82517       12.89857 
1 1 1 16 22 20 o 46.24554 7.142799 22.87591       6.572307      27.42417       8.380984      18.32765       10.12378      51.57060 8.125738 40.92047 11.74950 10.65014       14.28560 
1 1 1 16 22 21 o 90.45453 6.635424 86.00604       11.96575      81.96787       17.59794      90.04422       16.21646      88.03626 9.994713 92.87279 8.730470 -4.836525      13.27085 
1 1 1 16 22 22 o 70.10184 4.356749 50.29299       6.188326      55.29466       10.14503      45.29132       7.091603      73.41431 6.909436 66.78937 5.308931 6.624947       8.713498 
1 1 1 16 22 23 o 80.03524 3.916676 65.45387       6.172740      57.38460       9.358648      73.53729       8.048012      74.88319 6.248832 85.18729 4.723716 -10.30411      7.833351 
1 1 1 16 22 24 o 69.13294 4.313300 49.14530       5.884400      43.60521       8.883986      54.68539       7.715039      65.00636 6.833167 73.25953 5.265554 -8.253174      8.626600 
1 1 1 16 22 25 o 20.18690 6.255955 -0.7934660     4.886900      2.242958       7.906322      -3.829890      5.743419      23.89968 9.961386 16.47413 7.570912 7.425550       12.51191 
1 1 1 16 22 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 22 27 o 145.8944 2.763792 216.2195       7.991336      201.9088       12.40499      230.5302       10.08127      140.7723 4.406048 151.0165 3.337803 -10.24422      5.527584 
1 1 1 16 22 28 o 22.09006 6.437234 2.658111       4.614855      3.141984       7.261631      2.174238       5.700912      23.44169 9.638262 20.73842 8.535563 2.703272       12.87447 
1 1 1 16 22 29 o 36.87235 6.803282 16.18104       5.134150      19.81540       7.608772      12.53960       6.899612      41.13194 9.443427 32.61276 9.795932 8.519180       13.60656 
1 1 1 16 22 30 o 21.79271 6.533602 2.055219       4.959870      3.970164       7.693786      0.1397775      6.260589      24.09157 9.915790 19.49386 8.510518 4.597708       13.06720 
1 1 1 16 22 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 22 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 22 33 f 30.66697 5.778401 7.183701       5.750503      -5.229791      10.03876      19.60286       5.608813      19.76042 9.383806 41.57352 6.745655 -21.81310      11.55680 
1 1 1 16 22 34 o 28.30762 5.933426 10.24421       3.949619      6.292469       6.032466      14.19737       5.099436      22.91088 9.007217 33.70436 7.726076 -10.79349      11.86685 
1 1 1 16 22 35 o 14.45245 4.863821 -3.617355      3.853978      -2.593642      5.919114      -4.641068      4.935784      15.63116 7.343241 13.27373 6.379954 2.357430       9.727641 
1 1 1 16 23 0  o 161.9535 4.931286 263.7566       15.94017      263.7566       15.94017      263.7566       15.94017      161.9535 4.931286 161.9535 4.931286 0.000000       0.000000 
1 1 1 16 23 1  o 53.73504 5.461321 29.74081       5.936826      37.14413       9.472000      22.34457       7.155363      60.51620 7.826004 46.95388 7.619565 13.56232       10.92264 
1 1 1 16 23 2  o 121.3505 3.080182 148.2081       7.445828      134.8892       10.68345      161.5270       10.36465      115.8547 4.610712 126.8464 4.085512 -10.99170      6.160363 
1 1 1 16 23 3  o 108.8769 3.215818 119.2324       6.987460      112.9272       10.13086      125.4668       9.620775      105.9840 4.779428 111.7697 4.303837 -5.785698      6.431636 
1 1 1 16 23 4  o 63.95522 4.252954 41.26023       5.450828      42.49294       8.359732      40.02753       7.000920      64.87103 6.443347 63.03941 5.552813 1.831619       8.505907 
1 1 1 16 23 5  o 88.41821 3.440746 78.63815       6.045219      74.24575       9.323226      83.10139       7.693786      85.86807 5.428808 90.96835 4.228826 -5.100273      6.881492 
1 1 1 16 23 6  o 32.34401 6.896790 10.64095       4.928699      9.578268       7.743378      11.70362       6.097645      31.36717 10.49075 33.32084 8.955832 -1.953665      13.79358 
1 1 1 16 23 7  o 83.00862 3.211720 69.26533       5.328974      66.92744       7.608772      71.62447       7.459997      81.58981 4.662820 84.42742 4.417994 -2.837608      6.423439 
1 1 1 16 23 8  o 160.9552 2.784515 260.4977       9.018591      241.0862       11.30689      279.9093       14.04860      154.9966 3.647463 166.9138 4.208338 -11.91722      5.569030 
1 1 1 16 23 9  o 67.32381 4.220351 45.88642       5.717206      50.13005       8.855647      41.64280       7.233293      70.40630 6.288959 64.24133 5.629782 6.164978       8.440702 
1 1 1 16 23 10 o 59.52890 4.457601 35.89725       5.331808      38.37683       8.210957      33.42476       6.803263      61.54249 6.670965 57.51530 5.914307 4.027187       8.915201 
1 1 1 16 23 11 o 147.2459 2.596862 217.7072       7.644195      222.3830       10.87473      213.0314       10.75430      148.8304 3.653399 145.6615 3.691538 3.168900       5.193725 
1 1 1 16 23 12 o 59.29485 4.284082 35.66346       5.047719      39.97794       7.075308      31.35607       7.197870      62.93545 5.621083 55.65424 6.466596 7.281208       8.568164 
1 1 1 16 23 13 o 67.62345 4.088521 46.24065       5.536551      47.40251       8.317224      45.07879       7.311223      68.43467 6.076763 66.81223 5.471470 1.622437       8.177043 
1 1 1 16 23 14 o 91.29639 3.498707 84.09322       6.376066      81.96787       9.549930      86.21858       8.451830      90.08392 5.300574 92.50885 4.568120 -2.424934      6.997414 
1 1 1 16 23 15 o 104.9337 3.262341 110.8727       6.850729      112.3605       10.44258      109.4558       8.876901      105.5649 4.946047 104.3026 4.255360 1.262314       6.524682 
1 1 1 16 23 16 o 98.69324 3.430338 98.33311       6.754380      95.42845       10.19462      101.1669       8.862731      97.17824 5.245321 100.2082 4.422157 -3.029999      6.860676 
1 1 1 16 23 17 f 105.0743 3.400279 111.4395       7.162447      116.8945       10.80389      106.0552       9.408240      107.5875 5.020978 102.5611 4.586650 5.026382       6.800558 
1 1 1 16 23 18 o 68.98209 4.825683 48.53603       6.675033      50.45594       10.16628      46.60905       8.650196      70.26826 7.233909 67.69593 6.389008 2.572327       9.651365 
1 1 1 16 23 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 23 20 o 22.96633 7.149254 -1.676905      6.447619      -5.565597      7.941744      2.211787       10.15920      19.22821 8.863436 26.70445 11.21993 -7.476242      14.29851 
1 1 1 16 23 21 o 208.8115 3.023283 440.3736       12.61753      443.2783       16.26605      437.5398       19.29114      209.6757 3.878860 207.9473 4.638469 1.728363       6.046565 
1 1 1 16 23 22 o 43.47922 7.198755 21.16854       6.307346      26.24105       10.47800      16.10311       7.026425      48.56725 11.03513 38.39119 9.247389 10.17605       14.39751 
1 1 1 16 23 23 o 64.06622 4.857485 42.57795       6.150070      36.71197       8.947746      48.44393       8.437660      59.42785 7.528244 68.70458 6.140537 -9.276737      9.714971 
1 1 1 16 23 24 o 48.73516 6.451611 25.97893       6.057263      26.12062       8.735210      25.83724       8.395153      48.80598 9.283639 48.66434 8.961427 0.1416397      12.90322 
1 1 1 16 23 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 23 26 o 21.79610 6.410989 1.100934       4.864230      -1.852602      7.736294      4.054470       5.893611      20.63453 9.200717 22.95767 8.930282 -2.323139      12.82198 
1 1 1 16 23 27 o 123.7167 3.004154 156.4261       7.353730      145.1618       11.52651      167.6905       9.124859      118.8736 4.848220 128.5598 3.548877 -9.686188      6.008308 
1 1 1 16 23 28 o 20.92836 6.138614 -0.3083891     4.813930      -6.205329      7.672533      5.588267       5.813555      17.80423 8.363048 24.05248 8.988314 -6.248257      12.27723 
1 1 1 16 23 29 o 70.88414 4.145255 52.85759       5.882275      53.94152       9.139028      51.78074       7.410406      71.26517 6.411988 70.50310 5.255376 0.7620773      8.290510 
1 1 1 16 23 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 23 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 23 32 o 22.05337 6.126795 3.839100       4.313055      -0.3116480     6.475249      7.991336       5.698077      18.55815 8.342010 25.54859 8.975597 -6.990446      12.25359 
1 1 1 16 23 33 o 19.76932 6.015272 2.600018       4.309512      2.267754       6.313014      2.932282       5.868815      19.69904 8.573258 19.83960 8.439977 -0.1405525     12.03054 
1 1 1 16 23 34 o 23.98766 6.505503 7.906322       4.387442      8.140111       6.537593      7.665448       5.853229      24.20194 9.407330 23.77337 8.988237 0.4285641      13.01101 
1 1 1 16 24 0  o 165.9382 3.645690 276.2253       12.08619      276.2253       12.08619      276.2253       12.08619      165.9382 3.645690 165.9382 3.645690 0.000000       0.000000 
1 1 1 16 24 1  o 155.2769 2.783629 242.8573       8.713958      270.8411       13.63770      214.9443       10.85348      164.2051 4.152640 146.3486 3.708091 17.85649       5.567258 
1 1 1 16 24 2  o 76.38374 3.457972 59.02112       5.261672      50.51970       7.233293      67.51546       7.644195      70.83430 5.105784 81.93319 4.664896 -11.09888      6.915944 
1 1 1 16 24 3  o 50.82499 4.899780 26.28356       4.927282      29.84707       6.782717      22.72005       7.148279      54.34756 6.240130 47.30241 7.555934 7.045151       9.799560 
1 1 1 16 24 4  f 65.48326 4.100524 43.32891       5.370772      40.60137       7.360813      46.04937       7.828392      63.42224 5.803023 67.54428 5.795007 -4.122044      8.201048 
1 1 1 16 24 5  o 75.23796 4.024816 57.58296       6.091977      67.67840       9.415324      47.48753       7.729208      81.87776 5.749622 68.59817 5.633685 13.27959       8.049632 
1 1 1 16 24 6  o 79.43605 3.886720 63.76067       6.191869      68.76233       9.323226      58.76608       8.154280      82.53450 5.648078 76.33759 5.340934 6.196907       7.773439 
1 1 1 16 24 7  o 75.04823 4.002067 57.05870       6.034592      63.78191       9.216957      50.34258       7.792970      79.46478 5.799398 70.63169 5.516624 8.833092       8.004133 
1 1 1 16 24 8  o 84.01064 3.783134 71.27025       6.305930      66.55196       9.719957      75.94603       8.033843      81.14912 5.988949 86.87215 4.623946 -5.723038      7.566267 
1 1 1 16 24 9  o 61.32688 4.784134 38.28473       5.739168      33.02802       8.919409      43.54145       7.226208      56.95918 7.829648 65.69458 5.499851 -8.735397      9.568268 
1 1 1 16 24 10 o 92.01083 3.707412 86.36028       6.605605      67.74924       9.925409      104.9926       8.721042      81.84420 6.063600 102.1775 4.267596 -20.33325      7.414824 
1 1 1 16 24 11 o 86.81996 4.011680 76.37110       6.949912      69.90294       9.762465      82.81801       9.897071      83.10770 5.873382 90.53222 5.466050 -7.424515      8.023360 
1 1 1 16 24 12 o 66.09779 4.013534 44.75999       5.242543      54.91918       7.658363      34.60078       7.155363      73.75792 5.191554 58.43765 6.122221 15.32027       8.027067 
1 1 1 16 24 13 o 90.36236 3.277737 82.25125       5.924782      83.17223       8.494337      81.33026       8.260548      90.86278 4.674267 89.86194 4.596244 1.000839       6.555473 
1 1 1 16 24 14 o 23.48801 6.667749 2.908195       4.785592      3.606019       6.838685      2.211078       6.695578      24.21443 9.567843 22.76160 9.289345 1.452829       13.33550 
1 1 1 16 24 15 o 36.93682 6.939774 14.66495       5.236876      13.07094       7.374983      16.25897       7.431659      35.00345 10.02107 38.87020 9.603122 -3.866749      13.87955 
1 1 1 16 24 16 o 61.57076 4.778502 38.97902       5.824891      31.33482       8.026759      46.61613       8.444746      55.39417 7.245129 67.74734 6.232529 -12.35316      9.557004 
1 1 1 16 24 17 o 78.29005 4.899046 63.11597       7.502505      52.77257       11.28564      73.46645       9.889987      71.56680 7.884687 85.01332 5.816728 -13.44653      9.798093 
1 1 1 16 24 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 24 19 o 63.73083 5.379437 42.69839       6.541844      30.58386       9.656199      54.81292       8.827310      54.14470 8.917030 73.31697 6.019963 -19.17227      10.75887 
1 1 1 16 24 20 o 48.77553 6.402112 25.70263       6.161405      32.29123       9.564099      19.12111       7.771716      55.65993 8.591548 41.89112 9.493863 13.76882       12.80422 
1 1 1 16 24 21 o 88.53496 4.308796 80.76351       7.417490      67.57214       11.52651      93.94070       9.323226      80.87836 7.125832 96.19157 4.846176 -15.31321      8.617593 
1 1 1 16 24 22 o 32.89737 7.415853 11.66820       5.506087      12.81589       7.984251      10.52051       7.587519      34.23946 10.58955 31.55528 10.38464 2.684185       14.83171 
1 1 1 16 24 23 o 24.59118 6.760136 4.550386       4.795510      5.776008       6.774216      3.324764       6.789802      25.76894 9.688109 23.41342 9.430709 2.355522       13.52027 
1 1 1 16 24 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 24 25 o 69.85657 4.471596 51.10062       6.099061      42.60629       9.195704      59.60205       8.012589      63.58693 7.230813 76.12621 5.262702 -12.53927      8.943192 
1 1 1 16 24 26 o 45.47134 6.158737 24.29281       5.581183      36.89617       8.820225      11.69654       6.838685      58.84230 7.494800 32.10039 9.774873 26.74191       12.31747 
1 1 1 16 24 27 o 34.91425 6.808143 14.11236       5.248919      9.195704       8.069265      19.02901       6.714706      29.02258 10.63183 40.80592 8.506905 -11.78334      13.61629 
1 1 1 16 24 28 o 24.05612 6.794384 2.493750       5.562055      11.27147       8.572267      -6.286801      7.084518      31.19317 11.00387 16.91907 7.973042 14.27411       13.58877 
1 1 1 16 24 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 24 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 24 31 o 17.98140 5.665321 -2.685741      4.525590      -9.259464      6.611272      3.890817       6.181242      14.43567 7.039335 21.52713 8.878695 -7.091457      11.33064 
1 1 1 16 24 32 o 26.80058 6.875169 9.698705       4.899652      13.70854       7.396237      5.686742       6.428492      30.90286 10.25290 22.69829 9.162412 8.204563       13.75034 
1 1 1 16 24 33 o 17.80868 5.676188 0.6910238      4.270547      3.086725       6.691327      -1.704535      5.307721      20.09435 8.785322 15.52301 7.189891 4.571336       11.35238 
1 1 1 16 25 0  o 117.7338 4.008748 139.4233       9.415324      139.4233       9.415324      139.4233       9.415324      117.7338 4.008748 117.7338 4.008748 0.000000       0.000000 
1 1 1 16 25 1  o 43.12657 5.712630 19.48951       4.774965      23.52768       6.660863      15.44425       6.842936      48.16468 6.914676 38.08846 9.095263 10.07622       11.42526 
1 1 1 16 25 2  o 26.65724 6.036956 4.620522       4.546844      13.75813       6.532634      -4.517797      6.326474      35.96277 9.076382 17.35170 7.962327 18.61107       12.07391 
1 1 1 16 25 3  o 35.83120 5.446412 12.98592       4.726081      -1.253960      6.520590      27.23289       6.843644      19.80884 8.666409 51.85355 6.599012 -32.04472      10.89282 
1 1 1 16 25 4  o 56.82854 4.476447 32.68088       5.085975      32.10704       7.197870      33.24764       7.190785      56.32644 6.389424 57.33065 6.271328 -1.004208      8.952893 
1 1 1 16 25 5  o 31.38577 6.591940 10.01042       4.655237      14.37449       6.649529      5.651320       6.517048      36.74992 9.086475 26.02162 9.552522 10.72830       13.18388 
1 1 1 16 25 6  o 92.78185 3.211315 86.64365       5.957372      84.37660       8.338477      88.91070       8.515590      91.56630 4.553246 93.99739 4.529695 -2.431091      6.422630 
1 1 1 16 25 7  o 74.84169 3.830404 56.97369       5.739877      47.26791       7.516674      66.67240       8.678535      68.41171 5.493703 81.27167 5.339213 -12.85995      7.660808 
1 1 1 16 25 8  o 74.08444 3.864230 55.67014       5.705162      48.98944       7.920490      62.34376       8.218040      69.59241 5.690628 78.57647 5.229327 -8.984055      7.728461 
1 1 1 16 25 9  o 120.8918 3.088472 147.1454       7.459997      149.6959       10.09544      144.5950       10.98809      121.9811 4.138116 119.8025 4.585916 2.178566       6.176943 
1 1 1 16 25 10 o 52.74551 5.969571 29.07486       6.002712      24.63287       9.082352      33.51685       7.849646      48.04860 9.790731 57.44243 6.832620 -9.393829      11.93914 
1 1 1 16 25 11 f 42.92045 7.191249 19.80123       6.108272      19.09278       9.294888      20.50259       7.927575      42.02934 10.94938 43.81155 9.325624 -1.782215      14.38250 
1 1 1 16 25 12 o 67.57976 4.696686 46.47443       6.366147      47.96218       9.982086      44.98669       7.906322      68.54582 7.281323 66.61370 5.934457 1.932121       9.393373 
1 1 1 16 25 13 o 141.4980 3.209527 202.0504       9.018591      189.5109       13.80064      214.5192       11.61861      136.9836 5.037335 146.0126 3.978634 -9.029007      6.419055 
1 1 1 16 25 14 o 105.2411 3.774086 112.0771       7.892153      105.9135       12.12869      118.3115       10.10252      102.1876 5.934524 108.2947 4.664367 -6.107071      7.548172 
1 1 1 16 25 15 o 92.87109 4.516569 88.13139       8.451830      96.20776       13.29056      80.05505       10.44966      97.00197 6.850662 88.74021 5.887784 8.261757       9.033137 
1 1 1 16 25 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 25 17 o 55.99230 5.823073 33.55228       6.245002      24.13695       8.388069      42.97469       9.252379      47.33300 9.188612 64.65161 7.155568 -17.31861      11.64615 
1 1 1 16 25 18 o 98.36043 3.422224 98.04973       6.727458      100.3168       9.294888      95.71184       9.727042      99.55976 4.667994 97.16109 5.005627 2.398674       6.844449 
1 1 1 16 25 19 o 53.94323 5.268872 30.12337       5.656987      32.29832       7.750463      27.95551       8.246379      56.01248 6.918514 51.87398 7.948473 4.138504       10.53774 
1 1 1 16 25 20 o 34.39403 7.184995 12.94341       5.286468      12.61044       7.481250      13.27639       7.467082      33.99939 10.19807 34.78867 10.12403 -0.7892761     14.36999 
1 1 1 16 25 21 o 31.49886 7.764195 10.18754       6.041677      11.11561       9.238212      9.252379       7.785885      32.79056 11.43727 30.20716 10.50332 2.583401       15.52839 
1 1 1 16 25 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 25 23 o 69.61404 4.905774 50.75348       6.797595      49.16656       10.54885      52.33333       8.572267      68.14368 7.740150 71.08440 6.029640 -2.940720      9.811548 
1 1 1 16 25 24 o 55.29829 5.692647 33.09887       5.966581      30.56261       9.826226      35.64221       6.769965      51.96451 9.812968 58.63206 5.773263 -6.667545      11.38529 
1 1 1 16 25 25 o 78.10007 3.984030 63.33559       6.223041      63.86693       9.889987      62.81134       7.552096      78.04297 6.336245 78.15716 4.831353 -0.1141891     7.968060 
1 1 1 16 25 26 o 62.30423 5.010621 41.97577       6.309471      45.69514       10.43549      38.26348       7.098687      64.36697 8.106249 60.24148 5.891859 4.125492       10.02124 
1 1 1 16 25 27 o 67.02103 5.247127 49.29408       7.029259      52.43252       10.10252      46.14855       9.776634      69.25936 7.293254 64.78269 7.545715 4.476669       10.49425 
1 1 1 16 25 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 25 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 25 30 o 23.94662 6.614267 4.302428       5.225540      -1.715162      8.083434      10.32214       6.626149      19.57446 8.989846 28.31879 9.704473 -8.744331      13.22853 
1 1 1 16 25 31 o 65.87875 4.759268 50.18672       6.050887      41.24606       9.167366      59.13447       7.899237      58.39159 7.849903 73.36591 5.383452 -14.97433      9.518537 
1 1 1 16 25 32 o 21.25104 5.806584 2.126064       4.392401      13.26222       6.778466      -9.004422      5.588267      29.89944 9.815392 12.60263 6.206753 17.29681       11.61317 
1 1 1 16 26 0  o 32.64061 11.44806 14.16904       6.758630      14.16904       6.758630      14.16904       6.758630      32.64061 11.44806 32.64061 11.44806 0.000000       0.000000 
1 1 1 16 26 1  o 126.2346 2.809659 160.2518       7.091603      159.1891       10.01751      161.3145       10.04585      125.8147 3.981055 126.6545 3.965845 -0.8398056     5.619317 
1 1 1 16 26 2  o 119.5509 2.882989 143.8157       6.886859      137.2980       9.734127      150.4043       9.748297      116.8107 4.166625 122.2912 3.985692 -5.480446      5.765978 
1 1 1 16 26 3  o 73.48083 3.785766 54.55079       5.564889      54.79166       8.012589      54.30991       7.722124      73.63076 5.441061 73.33089 5.265260 0.2998657      7.571533 
1 1 1 16 26 4  o 59.33487 4.379891 35.76265       5.187992      39.10654       7.452912      32.41875       7.219123      62.13987 5.996885 56.52988 6.385229 5.609989       8.759782 
1 1 1 16 26 5  o 75.63171 3.813607 58.19223       5.741293      68.04679       8.395153      48.33767       7.828392      82.12026 5.111500 69.14316 5.661003 12.97710       7.627213 
1 1 1 16 26 6  o 172.3026 2.906930 298.6124       10.03168      304.8468       15.29548      292.3781       12.98592      174.0317 4.394450 170.5736 3.806545 3.458130       5.813861 
1 1 1 16 26 7  f 133.8462 2.932079 180.2301       7.849646      176.1920       11.10144      184.2683       11.09435      132.3374 4.194370 135.3549 4.098246 -3.017532      5.864159 
1 1 1 16 26 8  o 36.06368 7.530926 13.72979       5.904237      13.89274       9.521592      13.56685       6.988169      36.50796 11.61113 35.61940 9.593798 0.8885651      15.06185 
1 1 1 16 26 9  o 30.74066 7.041957 8.636027       5.557804      16.83282       8.465999      0.4322973      7.204955      39.47494 10.52691 22.00638 9.356321 17.46856       14.08391 
1 1 1 16 26 10 o 38.97139 7.221932 16.08185       6.000587      22.13203       7.913406      10.03168       9.018591      45.59660 8.997956 32.34618 11.29876 13.25042       14.44386 
1 1 1 16 26 11 o 83.90796 4.004236 71.41194       6.732417      64.95794       8.969000      77.92970       10.04585      80.10320 5.598403 87.71272 5.726562 -7.609512      8.008471 
1 1 1 16 26 12 o 54.40147 6.301447 33.64437       6.406529      14.78539       8.239295      52.49628       9.812057      37.06149 10.58622 71.74144 6.838487 -34.67995      12.60289 
1 1 1 16 26 13 o 27.82884 11.96270 0.000000       0.000000      ?              ?             0.6989586      12.00826      ?        ?        27.82884 11.96270 ?              ?        
1 1 1 16 26 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 26 15 o 108.0410 4.479415 119.9409       9.571183      137.3688       13.24805      102.4421       13.80772      116.1709 5.701963 99.91101 6.910012 16.25993       8.958831 
1 1 1 16 26 16 o 47.79498 7.118136 24.79581       6.712580      17.08786       10.31506      32.51085       8.593520      39.46863 12.00225 56.12133 7.656199 -16.65270      14.23627 
1 1 1 16 26 17 o 57.44483 5.947555 35.53594       6.662281      45.84391       10.37173      25.22088       8.366816      66.50647 7.797538 48.38319 8.982874 18.12328       11.89511 
1 1 1 16 26 18 o 44.29868 7.285401 21.77072       6.358355      22.87591       9.656199      20.66554       8.274716      45.27062 10.80051 43.32674 9.780458 1.943874       14.57080 
1 1 1 16 26 19 o 64.86106 5.066549 44.29241       6.592144      55.10338       10.24421      33.48143       8.295970      72.94350 7.022019 56.77863 7.305540 16.16487       10.13310 
1 1 1 16 26 20 o 28.98513 7.143062 6.019006       5.936826      -2.398109      8.919409      14.43825       7.835476      22.04788 9.853734 35.92237 10.34395 -13.87450      14.28612 
1 1 1 16 26 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 26 22 o 69.42641 4.304326 50.17964       5.943910      42.72673       8.210957      57.63256       8.600604      64.11555 6.403249 74.73727 5.753893 -10.62172      8.608652 
1 1 1 16 26 23 o 42.87724 7.164933 21.38816       6.106854      18.05844       7.594603      24.71080       9.564099      39.69267 9.647422 46.06179 10.59586 -6.369122      14.32987 
1 1 1 16 26 24 o 43.84449 7.583262 22.96801       6.706913      17.82465       9.691620      28.11137       9.273635      38.28531 11.63220 49.40367 9.732186 -11.11836      15.16652 
1 1 1 16 26 25 o 63.90614 5.699666 45.02211       7.318307      49.13822       11.14395      40.90601       9.479085      66.61087 8.364961 61.20142 7.744171 5.409451       11.39933 
1 1 1 16 26 26 f 65.75846 15.69355 0.000000       0.000000      ?              ?             73.18307       20.38216      ?        ?        65.75846 15.69355 ?              ?        
1 1 1 16 26 27 o 28.02715 8.314483 8.487252       10.78264      6.563805       20.43175      10.40716       6.910239      28.15680 13.37874 27.89751 9.875819 0.2592907      16.62897 
1 1 1 16 26 28 o 46.65629 10.02160 0.000000       0.000000      ?              ?             28.24597       9.082352      ?        ?        46.65629 10.02160 ?              ?        
1 1 1 16 26 29 o 16.88028 5.522999 -4.093434      4.682866      -8.288886      7.374983      0.9989170E-01  5.769631      15.78463 7.633667 17.97593 7.983808 -2.191304      11.04600 
1 1 1 16 26 30 o 28.16833 6.807922 10.82514       4.691368      10.25838       7.268716      11.39190       5.937534      27.23285 10.07548 29.10381 9.158376 -1.870951      13.61584 
1 1 1 16 26 31 o 23.95993 6.376678 6.672907       4.700578      13.77939       6.908822      -0.4364772     6.375357      30.36897 9.909320 17.55088 8.028292 12.81809       12.75336 
1 1 1 16 27 0  o 50.27409 7.939403 26.94242       7.509589      26.94242       7.509589      26.94242       7.509589      50.27409 7.939403 50.27409 7.939403 0.000000       0.000000 
1 1 1 16 27 1  o 20.97468 6.420314 -1.270962      5.082433      2.145900       7.417490      -4.687117      6.950621      23.67700 9.739111 18.27237 8.368479 5.404631       12.84063 
1 1 1 16 27 2  o 60.85725 4.539603 37.61879       5.527341      38.23514       7.970083      37.00244       7.658363      61.34464 6.496153 60.36988 6.342868 0.9747581      9.079206 
1 1 1 16 27 3  o 76.66753 4.112271 59.63747       6.330016      64.05112       9.656199      55.21673       8.189702      79.46560 6.075709 73.86946 5.543362 5.596138       8.224543 
1 1 1 16 27 4  o 80.29872 3.765709 65.20590       6.045219      66.88493       8.572267      63.53395       8.529759      81.33978 5.269418 79.25767 5.381031 2.082108       7.531419 
1 1 1 16 27 5  o 107.5741 3.259635 116.6820       7.015798      120.0117       10.08835      113.4231       9.748297      109.0898 4.623877 106.0584 4.595720 3.031357       6.519270 
1 1 1 16 27 6  o 104.2181 3.511300 109.6683       7.318307      108.6057       9.982086      110.7310       10.71179      103.7438 4.810932 104.6923 5.115842 -0.9485626     7.022600 
1 1 1 16 27 7  o 76.59576 4.157938 59.48161       6.366856      57.38460       8.983169      61.57863       9.025676      75.22932 5.970523 77.96220 5.788494 -2.732880      8.315877 
1 1 1 16 27 8  o 23.46307 6.825595 -0.5613064     5.700203      7.134109       8.239295      -8.260548      7.877984      28.97280 10.72552 17.95333 8.445009 11.01946       13.65119 
1 1 1 16 27 9  o 23.06202 7.087836 -1.474288      6.214540      -4.877691      8.961915      1.929114       8.614774      21.18667 9.636767 24.93736 10.39627 -3.750687      14.17567 
1 1 1 16 27 10 o 110.4006 4.250461 124.0499       9.372816      125.8210       12.48292      122.3496       13.99192      111.2996 5.607801 109.5016 6.388915 1.798042       8.500922 
1 1 1 16 27 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 27 12 o 116.7613 3.647890 138.4315       8.515590      140.3443       11.91616      136.4478       12.17120      117.6142 5.065782 115.9083 5.250357 1.705864       7.295779 
1 1 1 16 27 13 o 83.53703 4.119785 71.05771       6.885443      71.97870       9.918325      70.17215       9.549930      84.04851 5.900358 83.02557 5.751199 1.022942       8.239570 
1 1 1 16 27 14 o 41.67453 6.956227 19.17071       5.795135      24.64704       8.522675      13.69437       7.856731      47.81248 9.242460 35.53659 10.39872 12.27589       13.91245 
1 1 1 16 27 15 f 114.3763 3.403824 132.6930       7.792970      131.0636       10.42841      134.2516       11.57610      113.7629 4.583398 114.9897 5.033541 -1.226799      6.807648 
1 1 1 16 27 16 o 47.61207 6.497974 25.26339       5.974374      36.51360       8.345562      14.00609       8.551013      59.46513 7.017190 35.75901 10.93863 23.70613       12.99595 
1 1 1 16 27 17 o 98.95785 3.754148 99.96254       7.389152      106.7637       9.833311      93.23225       11.02351      102.4882 4.797288 95.42747 5.775858 7.060760       7.508296 
1 1 1 16 27 18 o 49.02830 6.169293 26.38983       5.985001      18.74563       7.282885      34.03402       9.500339      41.25876 9.071716 56.79783 8.363293 -15.53907      12.33859 
1 1 1 16 27 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 27 20 o 78.81556 5.648504 67.36668       9.103605      86.07689       14.99793      48.65647       10.32214      89.76795 8.353720 67.86317 7.605114 21.90479       11.29701 
1 1 1 16 27 21 o 23.13857 7.280995 -2.044592      6.933618      -5.112897      10.52759      1.024421       9.032760      22.34353 10.26064 23.93361 10.33300 -1.590076      14.56199 
1 1 1 16 27 22 o 45.32965 7.869029 24.29990       7.127024      22.03285       10.52759      26.55986       9.599521      42.73841 11.88949 47.92090 10.31148 -5.182491      15.73806 
1 1 1 16 27 23 o 26.16979 7.673678 4.748044       6.613398      3.816430       9.493254      5.680366       9.202788      25.62094 10.80912 26.71863 10.89515 -1.097683      15.34736 
1 1 1 16 27 24 o 23.02193 7.197249 -0.4180574     6.613398      3.819264       10.03168      -4.655945      8.621859      26.16626 11.07881 19.87761 9.190298 6.288656       14.39450 
1 1 1 16 27 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 27 26 o 55.98018 5.405763 35.64221       6.048761      29.03235       7.941744      42.25206       9.124859      50.57086 7.852095 61.38950 7.431938 -10.81864      10.81153 
1 1 1 16 27 27 o 24.17829 7.195773 4.613438       6.395194      3.224164       11.07310      6.002712       6.398736      24.61613 10.99092 23.74044 9.290650 0.8756886      14.39155 
1 1 1 16 27 28 o 25.03432 6.617471 3.270214       6.072140      -4.785592      10.66220      11.32814       5.819932      20.43630 9.688670 29.63234 9.016281 -9.196039      13.23494 
1 1 1 16 27 29 o 42.51923 7.610823 26.67321       8.579351      21.77781       15.81264      31.57570       6.670074      32.47741 13.83613 52.56105 6.345073 -20.08364      15.22165 
1 1 1 16 27 30 o 24.70512 7.354557 7.289969       7.920490      5.899278       14.67204      8.678535       5.990668      24.45537 11.50972 24.95487 9.158848 -0.4995003     14.70911 
1 1 1 16 28 0  o 16.08275 11.03443 -5.506087      10.81806      -5.506087      10.81806      -5.506087      10.81806      16.08275 11.03443 16.08275 11.03443 0.000000       0.000000 
1 1 1 16 28 1  o 127.4857 3.466173 164.7150       8.905238      183.4182       13.87857      145.9411       11.15812      134.6974 5.151759 120.2740 4.638622 14.42336       6.932346 
1 1 1 16 28 2  o 37.39060 7.338980 15.00501       5.881567      9.620775       8.118857      20.38216       8.515590      31.34511 10.74209 43.43610 10.00250 -12.09099      14.67796 
1 1 1 16 28 3  o 75.84951 4.369546 58.51812       6.615522      55.04670       9.401155      61.99661       9.316141      73.55321 6.390718 78.14581 5.960742 -4.592606      8.739092 
1 1 1 16 28 4  o 82.84778 4.291660 69.93128       7.098687      62.81134       9.833311      77.07955       10.23713      78.56953 6.257712 87.12602 5.874897 -8.556488      8.583320 
1 1 1 16 28 5  f 29.17757 7.930418 6.563097       6.527675      6.184784       9.018591      6.941411       9.443663      28.66700 11.06839 29.68814 11.36031 -1.021141      15.86084 
1 1 1 16 28 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 28 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 28 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 28 9  f 29.70183 7.741015 6.394486       6.597811      14.20446       9.705790      -1.412653      8.940661      36.43814 11.73649 22.96552 10.09693 13.47262       15.48203 
1 1 1 16 28 10 o 69.74487 4.980977 50.12296       6.927242      44.23573       9.599521      56.01020       9.989170      65.56151 7.321004 73.92822 6.755992 -8.366714      9.961954 
1 1 1 16 28 11 o 91.05960 3.915722 84.37660       7.127024      88.91070       10.15211      79.84251       10.00334      93.53791 5.426737 88.58130 5.646417 4.956612       7.831443 
1 1 1 16 28 12 o 52.74742 6.048803 30.03835       6.022548      21.16146       8.522675      38.91526       8.508506      43.96233 9.927289 61.53251 6.913829 -17.57018      12.09761 
1 1 1 16 28 13 o 153.9822 3.227995 240.2360       9.953747      244.2033       15.07585      236.2687       12.99301      155.1210 4.859385 152.8434 4.250432 2.277618       6.455989 
1 1 1 16 28 14 o 50.02740 6.179022 26.92825       5.982875      31.95826       8.551013      21.89116       8.373900      55.42671 7.713802 44.62809 9.654974 10.79862       12.35804 
1 1 1 16 28 15 o 44.29401 6.656470 21.58652       5.720748      19.91458       7.778800      23.25847       8.388069      42.54201 9.393933 46.04601 9.433367 -3.503998      13.31294 
1 1 1 16 28 16 o 28.98686 7.458846 7.948828       5.644236      6.512089       8.048012      9.386987       7.913406      27.62000 10.51102 30.35373 10.58565 -2.733732      14.91769 
1 1 1 16 28 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 28 18 o 72.59148 5.143242 55.48595       7.452912      56.54862       9.960832      54.42327       11.09435      73.52915 6.773390 71.65380 7.741638 1.875351       10.28648 
1 1 1 16 28 19 o 54.43602 6.538612 32.94301       6.992419      25.76639       8.905238      40.11962       10.78264      47.89364 9.635569 60.97839 8.841358 -13.08475      13.07722 
1 1 1 16 28 20 o 36.98257 7.181687 15.38049       6.151486      25.12170       8.643111      5.642818       8.756464      47.07064 9.513863 26.89451 10.76071 20.17614       14.36337 
1 1 1 16 28 21 f 79.90912 4.297565 67.05496       6.888985      63.33559       8.961915      70.77434       10.46383      77.88573 5.753246 81.93250 6.385643 -4.046776      8.595131 
1 1 1 16 28 22 o 35.01105 7.671711 15.04043       5.982875      11.75322       7.594603      18.32765       9.245295      31.58388 10.38949 38.43823 11.29066 -6.854351      15.34342 
1 1 1 16 28 23 o 66.96383 5.577143 49.80416       7.467082      44.12238       10.09544      55.48595       11.00934      63.03173 8.008219 70.89592 7.764439 -7.864185      11.15429 
1 1 1 16 28 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 28 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 28 26 o 24.59011 7.068440 4.737417       5.889359      12.51126       8.969000      -3.039967      7.637110      30.59369 11.20875 18.58652 8.614828 12.00717       14.13688 
1 1 1 16 28 27 o 24.80526 7.198813 6.828767       5.822765      6.088435       9.117774      7.566265       7.247461      24.56849 10.48783 25.04202 9.863932 -0.4735260     14.39763 
1 1 1 16 28 28 o 18.33509 6.196387 -7.318307      6.757213      -0.5141234     8.600604      -14.11944      10.42133      19.81570 9.168279 16.85449 8.338077 2.961214       12.39277 
1 1 1 16 28 29 o 27.24485 7.004570 10.67637       5.472082      16.76197       7.474166      4.595727       7.998421      32.83740 10.26385 21.65230 9.534635 11.18510       14.00914 
1 1 1 16 29 0  o 12.84508 9.178659 -11.37065      9.642029      -11.37065      9.642029      -11.37065      9.642029      12.84508 9.178659 12.84508 9.178659 0.000000       0.000000 
1 1 1 16 29 1  o 49.09432 7.320096 26.36149       7.112856      33.59478       10.08835      19.12820       10.03168      56.69572 8.896927 41.49292 11.62669 15.20280       14.64019 
1 1 1 16 29 2  o 52.65920 6.734846 30.59095       6.780592      19.02193       9.316141      42.15997       9.861650      41.45723 11.03704 63.86118 7.721161 -22.40395      13.46969 
1 1 1 16 29 3  o 98.49362 4.022827 99.11240       7.913406      87.35210       10.83223      110.8727       11.53359      92.57928 5.850244 104.4080 5.523332 -11.82867      8.045654 
1 1 1 16 29 4  o 27.74993 7.540625 2.975497       6.689201      12.99301       9.812057      -7.044137      9.096521      35.29166 11.80923 20.20819 9.380096 15.08347       15.08125 
1 1 1 16 29 5  o 17.27345 5.852777 -11.51234      5.856771      -8.048012      8.352647      -14.97667      8.210957      18.66843 8.760837 15.87846 7.763230 2.789968       11.70555 
1 1 1 16 29 6  o 50.27823 6.489211 27.26831       6.300971      20.25464       8.791886      34.28198       9.032760      42.95978 10.34176 57.59667 7.841391 -14.63689      12.97842 
1 1 1 16 29 7  o 36.42748 7.824344 14.37449       6.201787      15.19629       8.940661      13.55268       8.600604      37.35690 11.13703 35.49807 10.99309 1.858829       15.64869 
1 1 1 16 29 8  o 44.05944 7.097937 21.29606       6.128817      23.18763       8.862731      19.40449       8.473083      46.08395 9.900589 42.03493 10.17355 4.049019       14.19587 
1 1 1 16 29 9  o 119.2802 3.722284 144.7367       8.905238      138.7149       11.54776      150.6877       13.55268      116.9284 4.937965 121.6320 5.571184 -4.703598      7.444568 
1 1 1 16 29 10 o 29.09117 6.841116 5.291427       5.795844      -5.910613      8.310139      16.49276       8.083434      19.54413 9.030970 38.63821 10.27838 -19.09408      13.68223 
1 1 1 16 29 11 o 26.55772 7.087975 4.236542       5.652737      10.97392       8.062181      -2.498001      7.927575      32.31321 10.70454 20.80223 9.293571 11.51097       14.17595 
1 1 1 16 29 12 o 29.23972 7.484977 8.019674       5.683908      6.233667       8.062181      9.804973       8.012589      27.49401 10.50357 30.98544 10.66652 -3.491430      14.96995 
1 1 1 16 29 13 o 95.83784 3.894230 94.22409       7.509589      84.02238       9.592437      104.4258       11.54776      90.71766 5.286974 100.9580 5.719092 -10.24036      7.788460 
1 1 1 16 29 14 o 68.95415 5.175611 49.66956       7.134109      50.51261       9.769550      48.81941       10.39299      69.66275 7.012033 68.24554 7.614408 1.417206       10.35122 
1 1 1 16 29 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 29 16 o 52.68631 6.734681 30.69013       6.860647      33.59478       8.954830      27.79256       10.39299      56.22496 7.963394 49.14765 10.86315 7.077309       13.46936 
1 1 1 16 29 17 o 69.61667 5.027338 51.57529       6.943536      63.34267       10.35048      39.80790       9.259464      77.87474 6.645595 61.35860 7.545368 16.51614       10.05468 
1 1 1 16 29 18 o 29.69805 7.475214 9.209873       5.637151      10.76847       7.771716      7.658363       8.168448      31.17568 10.50994 28.22042 10.63280 2.955265       14.95043 
1 1 1 16 29 19 o 69.78127 4.630771 51.74532       6.407947      61.45819       9.330310      42.03244       8.784801      76.62945 6.087940 62.93308 6.979479 13.69637       9.261541 
1 1 1 16 29 20 o 17.40784 5.844856 -8.480167      5.576932      -13.95650      7.459997      -2.995334      8.295970      14.61463 7.198070 20.20105 9.210709 -5.586417      11.68971 
1 1 1 16 29 21 o 58.65545 5.612714 37.69672       6.580809      32.43292       8.827310      42.96052       9.762465      54.43480 8.108150 62.87611 7.763255 -8.441315      11.22543 
1 1 1 16 29 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 29 23 o 26.25708 7.625552 5.698786       6.884734      -2.731790      9.153197      14.12653       10.28672      20.45586 9.462080 32.05831 11.96099 -11.60245      15.25110 
1 1 1 16 29 24 o 50.51553 12.21876 36.74031       12.22788      36.74031       12.22788      ?              ?             50.51553 12.21876 ?        ?        ?              ?        
1 1 1 16 29 25 o 25.76775 7.576262 6.364022       6.819557      8.062181       7.608772      4.663030       11.32106      26.10999 10.14884 25.42550 11.25167 0.6844883      15.15252 
1 1 1 16 29 26 o 21.91075 6.831516 2.188408       6.243586      4.368313       6.679992      0.8402239E-02  10.54885      21.85610 9.135931 21.96539 10.15939 -0.1092930     13.66303 
1 1 1 16 29 27 o 20.10948 6.292502 1.625897       5.249628      4.218830       6.325057      -0.9670368     8.380984      20.94646 8.829315 19.27250 8.968028 1.673958       12.58500 
1 1 1 16 29 28 o 27.94359 5.932231 10.61261       4.405862      19.95709       6.519173      1.263170       5.929033      38.00771 8.751361 17.87948 8.011190 20.12823       11.86446 
1 1 1 16 30 0  o 12.81812 8.921471 -5.844728      7.792970      -5.844728      7.792970      -5.844728      7.792970      12.81812 8.921471 12.81812 8.921471 0.000000       0.000000 
1 1 1 16 30 1  f 44.85463 6.759301 22.19580       6.098353      31.60404       8.898154      12.79464       8.338477      55.17579 8.063459 34.53347 10.85049 20.64232       13.51860 
1 1 1 16 30 2  o 26.40563 7.235856 4.094143       5.777424      -1.013795      8.210957      9.202788       8.125941      22.20477 9.719769 30.60650 10.72178 -8.401728      14.47171 
1 1 1 16 30 3  o 83.21969 4.094627 70.69640       6.814599      67.41627       9.514507      73.96236       9.755382      81.27415 5.853342 85.16523 5.727327 -3.891083      8.189255 
1 1 1 16 30 4  o 73.73016 4.426606 55.67723       6.526966      55.13881       9.082352      56.20856       9.379901      73.39610 6.187218 74.06424 6.332274 -0.6681442     8.853212 
1 1 1 16 30 5  o 64.26032 5.228255 42.74798       6.701954      44.88750       9.224042      40.60137       9.727042      65.98645 6.989346 62.53419 7.777380 3.452259       10.45651 
1 1 1 16 30 6  o 50.98882 6.188175 28.10428       6.065056      35.12504       8.763549      21.08352       8.388069      58.20002 7.528820 43.77762 9.822978 14.42240       12.37635 
1 1 1 16 30 7  o 39.22515 7.357911 17.08786       5.905654      14.64370       8.352647      19.53910       8.352647      36.44296 10.74043 42.00734 10.05975 -5.564384      14.71582 
1 1 1 16 30 8  o 29.20815 7.490716 7.127024       6.002712      12.82298       8.551013      1.435323       8.430575      34.40754 11.00957 24.00875 10.16035 10.39879       14.98143 
1 1 1 16 30 9  o 18.26273 6.087345 -8.012589      5.758296      -6.795470      8.069265      -9.224042      8.218040      18.68143 8.734169 17.84402 8.481588 0.8374119      12.17469 
1 1 1 16 30 10 o 21.39188 6.888247 -5.960205      6.687077      0.1592600      9.535762      -12.07910      9.379901      24.38591 10.57364 18.39785 8.831193 5.988064       13.77649 
1 1 1 16 30 11 o 87.72380 4.598414 79.62997       8.055097      82.39294       11.14395      76.93786       11.63986      89.34499 6.236470 86.10261 6.759298 3.242386       9.196829 
1 1 1 16 30 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 30 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 30 14 o 26.36099 7.283426 5.099436       5.705871      8.324308       8.026759      1.872438       8.111773      29.08837 10.60888 23.63360 9.982231 5.454765       14.56685 
1 1 1 16 30 15 o 23.14947 6.755876 0.1131397      5.640693      7.389152       7.686701      -7.169532      8.253463      27.78492 10.34486 18.51402 8.692027 9.270901       13.51175 
1 1 1 16 30 16 o 23.50926 6.984541 1.550801       5.748378      5.846144       8.154280      -2.744542      8.104689      26.56947 10.46372 20.44905 9.254505 6.120424       13.96908 
1 1 1 16 30 17 o 27.79580 6.804947 4.974748       5.720040      16.11019       8.076350      -6.161405      8.104689      36.98398 10.45459 18.60762 8.713823 18.37636       13.60989 
1 1 1 16 30 18 o 20.42379 6.536717 -2.235874      5.760421      -3.063345      7.927575      -1.408402      8.359732      19.70605 8.990088 21.14152 9.491734 -1.435472      13.07343 
1 1 1 16 30 19 o 29.75301 7.765380 9.535762       6.157863      7.289969       8.281801      11.78864       9.117774      27.49687 10.60870 32.00914 11.34284 -4.512266      15.53076 
1 1 1 16 30 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 30 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 30 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 30 23 o 27.08326 7.690062 8.019674       7.169532      -6.649529      7.000920      22.69171       12.51834      16.10581 7.706404 38.06071 13.31013 -21.95490      15.38012 
1 1 1 16 30 24 o 42.77216 6.684988 23.74730       5.589684      24.32115       7.268716      23.18054       8.494337      44.30882 8.505777 41.23550 10.31542 3.073311       13.36998 
1 1 1 16 30 25 o 16.67615 5.603564 -7.015089      5.489793      -1.242624      6.546094      -12.78755      8.813140      17.62613 8.092905 15.72618 7.752716 1.899947       11.20713 
1 1 1 16 30 26 o 17.14381 5.740333 -3.249668      5.280091      -3.007378      6.507838      -3.491959      8.317224      16.32470 7.677949 17.96291 8.535501 -1.638212      11.48067 
1 1 1 16 30 27 o 22.36031 6.047394 -1.941866      5.540093      16.84698       7.367898      -20.72930      8.274716      31.94271 10.21946 12.77791 6.468895 19.16480       12.09479 
1 1 1 16 31 0  o 28.13041 13.36598 12.29872       8.501422      12.29872       8.501422      12.29872       8.501422      28.13041 13.36598 28.13041 13.36598 0.000000       0.000000 
1 1 1 16 31 1  o 34.94040 7.420313 13.11344       5.921240      19.06444       8.458915      7.162447       8.288886      41.34630 10.26405 28.53450 10.71883 12.81180       14.84063 
1 1 1 16 31 2  o 54.91319 5.959228 32.44709       6.272632      25.32006       8.756464      39.56703       8.983169      48.09492 9.439775 61.73146 7.276006 -13.63653      11.91846 
1 1 1 16 31 3  f 54.65960 6.152784 32.39042       6.412906      40.31091       9.153197      24.46284       8.990252      62.27191 7.349379 47.04729 9.869836 15.22462       12.30557 
1 1 1 16 31 4  o 71.08870 4.767599 52.27666       6.767131      54.87667       9.479085      49.67664       9.663282      72.94051 6.497819 69.23689 6.978421 3.703621       9.535198 
1 1 1 16 31 5  o 32.39203 8.054063 10.76138       6.495794      11.69654       9.528677      9.833311       8.827310      33.44930 11.62060 31.33476 11.15497 2.114546       16.10813 
1 1 1 16 31 6  o 47.85677 8.649435 26.32607       8.522675      22.01868       13.31889      30.63345       10.63386      43.36979 13.72644 52.34374 10.52786 -8.973957      17.29887 
1 1 1 16 31 7  o 31.70306 8.094315 6.597811       7.707955      -3.613104      12.01534      16.81156       9.656199      24.99748 11.29292 38.40863 11.59921 -13.41115      16.18863 
1 1 1 16 31 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 31 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 31 10 o 70.07660 5.297503 51.88701       7.417490      52.46794       9.875818      51.29899       11.06602      70.71772 6.982563 69.43549 7.968560 1.282234       10.59501 
1 1 1 16 31 11 o 47.27910 6.636567 25.97184       6.259880      11.67529       8.543928      40.26131       9.153197      32.70197 11.01972 61.85623 7.398767 -29.15426      13.27313 
1 1 1 16 31 12 o 61.55040 5.402401 40.72889       6.477375      50.76057       9.160281      30.69721       9.160281      69.69955 6.571263 53.40124 8.576843 16.29832       10.80480 
1 1 1 16 31 13 o 32.51436 7.763066 11.85948       6.001295      12.10744       8.274716      11.61152       8.692703      32.72652 10.84471 32.30219 11.11094 0.4243279      15.52613 
1 1 1 16 31 14 o 55.45060 6.084874 34.23948       6.347020      42.86134       8.742295      25.61053       9.202788      63.72966 6.858890 47.17155 10.05278 16.55811       12.16975 
1 1 1 16 31 15 o 32.46781 7.719089 12.27038       5.931159      11.76738       8.076350      12.76630       8.692703      31.91346 10.71394 33.02216 11.11525 -1.108698      15.43818 
1 1 1 16 31 16 o 27.00291 7.603645 6.125983       6.315140      2.738166       9.075267      9.514507       8.784801      24.43948 10.44902 29.56633 11.04897 -5.126852      15.20729 
1 1 1 16 31 17 o 38.12281 8.567964 18.32765       7.474166      12.97884       9.330310      23.67646       11.67529      33.19823 11.50231 43.04739 12.70185 -9.849159      17.13593 
1 1 1 16 31 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 31 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 31 20 o 34.91309 10.47684 18.83773       13.19846      14.96250       13.97775      22.72005       22.39416      33.07912 13.44793 36.74706 16.06891 -3.667942      20.95368 
1 1 1 16 31 21 o 24.70083 6.931718 5.450119       5.489084      10.32923       7.403321      0.5686034      8.104689      28.42971 10.20617 20.97195 9.382375 7.457756       13.86344 
1 1 1 16 31 22 o 14.22179 4.960998 -12.08619      5.067555      -12.05785      6.779883      -12.12161      7.530843      13.72504 6.774253 14.71854 7.249518 -0.9935017     9.921996 
1 1 1 16 31 23 o 17.41074 5.757048 -3.555720      5.038509      -7.927575      6.700537      0.8140112      7.523758      14.83485 7.196974 19.98663 8.987656 -5.151772      11.51410 
1 1 1 16 31 24 f 31.68089 7.205071 15.10419       5.386359      9.975000       7.197870      20.23338       8.012589      26.40529 9.972024 36.95649 10.40245 -10.55120      14.41014 
1 1 1 16 31 25 o 21.28947 6.322378 2.065845       5.361563      9.939578       6.773507      -5.809304      8.310139      25.76447 9.687369 16.81446 8.126791 8.950005       12.64476 
1 1 1 16 32 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 32 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 32 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 32 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 32 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 32 5  o 30.65313 8.107189 9.252379       6.730292      7.353730       8.664365      11.15103       10.30089      28.52341 10.89111 32.78285 12.01206 -4.259441      16.21438 
1 1 1 16 32 6  o 24.12141 7.164700 1.552218       6.022548      -2.996042      8.196787      6.099770       8.827310      20.61370 9.319141 27.62913 10.88509 -7.015430      14.32940 
1 1 1 16 32 7  o 51.00841 6.255408 28.33099       6.235793      26.91408       8.912323      29.74789       8.728126      49.18477 9.396207 52.83205 8.260257 -3.647285      12.51082 
1 1 1 16 32 8  o 43.31200 7.681683 21.74947       6.688493      23.52060       8.876901      19.97834       10.00334      45.45103 10.03409 41.17296 11.63400 4.278072       15.36337 
1 1 1 16 32 9  o 36.96440 7.748788 15.96850       6.142985      15.01918       8.593520      16.92491       8.784801      35.92881 10.96082 37.99999 10.95607 -2.071178      15.49758 
1 1 1 16 32 10 o 54.44404 5.849901 31.99368       6.371107      30.98060       8.883986      33.01385       9.131943      53.56974 8.291982 55.31834 8.253994 -1.748600      11.69980 
1 1 1 16 32 11 o 71.93418 4.774114 54.83417       6.823808      46.67280       9.486169      62.99553       9.812057      66.32649 7.151117 77.54187 6.326941 -11.21538      9.548228 
1 1 1 16 32 12 o 50.33202 6.631084 29.52827       6.457538      19.20613       8.706873      39.85041       9.542846      40.05733 10.67262 60.60672 7.872762 -20.54939      13.26217 
1 1 1 16 32 13 o 49.91707 7.606562 30.15171       7.396237      28.17513       9.557014      32.13537       11.28564      48.70805 10.14488 51.12609 11.33669 -2.418037      15.21312 
1 1 1 16 32 14 o 30.48413 8.269374 8.997337       7.417490      12.92216       9.436578      5.078891       11.44858      33.03359 11.55583 27.93468 11.83186 5.098917       16.53875 
1 1 1 16 32 15 o 32.24949 8.018683 8.324308       7.934660      21.43067       10.19462      -4.788426      12.17120      41.05389 11.79143 23.44509 10.87011 17.60880       16.03737 
1 1 1 16 32 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 32 17 o 28.11201 8.974631 10.91724       12.95758      14.78539       11.95158      7.051930       22.99634      29.27003 12.22662 26.95400 13.14100 2.316023       17.94926 
1 1 1 16 32 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 32 19 o 21.22670 6.588868 1.179572       5.501128      -3.311303      7.289969      5.670448       8.239295      17.96284 8.360679 24.49056 10.18586 -6.527718      13.17774 
1 1 1 16 32 20 o 42.73906 6.862870 23.55602       5.744127      25.04377       7.785885      22.07536       8.451830      44.86595 8.994022 40.61217 10.36839 4.253773       13.72574 
1 1 1 16 32 21 o 28.68134 7.264326 11.33523       5.332517      12.35540       7.240376      10.31506       7.828392      29.81544 10.14431 27.54724 10.40070 2.268196       14.52865 
1 1 1 16 32 22 o 42.30646 6.817162 24.63287       5.664072      27.36749       7.856731      21.89116       8.161365      45.70591 8.912844 38.90700 10.31775 6.798908       13.63432 
1 1 1 16 32 23 o 18.53905 6.017569 -0.6086309E-01 5.117147      0.3022964      6.925116      -0.4240084     7.537927      18.47067 8.420023 18.60744 8.599287 -0.1367722     12.03514 
1 1 1 16 32 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 33 0  o 24.83416 14.18213 9.769550       10.90307      9.769550       10.90307      9.769550       10.90307      24.83416 14.18213 24.83416 14.18213 0.000000       0.000000 
1 1 1 16 33 1  f 29.24019 8.203453 5.626524       7.736294      -3.832016      10.01042      15.08294       11.79572      22.27227 10.14506 36.20811 12.89435 -13.93584      16.40691 
1 1 1 16 33 2  o 54.70201 7.153548 34.15446       7.545012      41.45860       10.48509      26.85741       10.86057      61.89781 8.469675 47.50621 11.53072 14.39160       14.30710 
1 1 1 16 33 3  o 53.80594 6.954851 32.61003       7.247461      35.40133       9.500339      29.81165       10.94558      57.27108 8.294185 50.34079 11.16630 6.930286       13.90970 
1 1 1 16 33 4  o 31.82537 8.224843 10.98809       6.993836      5.606688       8.253463      16.37232       11.29272      26.45188 10.49234 37.19887 12.66897 -10.74699      16.44969 
1 1 1 16 33 5  f 26.42632 7.746362 4.267714       6.738085      4.567389       10.45675      3.967330       8.501422      27.50091 11.45875 25.35173 10.42696 2.149179       15.49272 
1 1 1 16 33 6  o 57.70197 6.516707 37.12288       7.190785      31.74572       10.64803      42.49294       9.670367      52.36437 10.53754 63.03955 7.670079 -10.67518      13.03341 
1 1 1 16 33 7  o 21.48472 6.775112 -2.192658      6.054429      -5.945328      8.883986      1.560011       8.232210      19.77413 9.213728 23.19531 9.935582 -3.421181      13.55022 
1 1 1 16 33 8  o 41.53169 7.659124 20.80014       6.513506      24.79581       9.181536      16.81156       9.238212      45.86053 10.26784 37.20285 11.36751 8.657684       15.31825 
1 1 1 16 33 9  o 35.20461 8.580493 15.45133       7.396237      12.25622       9.131943      18.64645       11.63986      32.28395 11.36058 38.12525 12.86222 -5.841297      17.16099 
1 1 1 16 33 10 o 32.73369 8.689355 12.54668       7.842561      7.481250       9.854564      17.61920       12.19954      28.40639 11.39473 37.06099 13.12172 -8.654591      17.37871 
1 1 1 16 33 11 o 31.44449 8.571382 10.27963       7.764632      12.15703       10.09544      8.395153       11.78864      32.55372 11.89523 30.33527 12.34414 2.218456       17.14276 
1 1 1 16 33 12 o 39.66898 8.467942 19.05735       8.331393      29.52827       10.75430      8.586436       12.72379      48.83372 11.23742 30.50424 12.67062 18.32948       16.93588 
1 1 1 16 33 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 33 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 33 15 o 26.12461 7.595603 6.511380       6.392360      5.486251       8.310139      7.537927       9.712874      24.97693 10.29699 27.27228 11.16892 -2.295345      15.19121 
1 1 1 16 33 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 33 17 o 42.72727 7.117230 23.57019       5.994919      24.44867       8.175533      22.69171       8.770633      44.06991 9.544888 41.38463 10.56007 2.685280       14.23446 
1 1 1 16 33 18 o 37.53205 7.168686 18.96525       5.530175      16.53526       7.403321      21.39524       8.218040      35.11637 10.03614 39.94773 10.23895 -4.831356      14.33737 
1 1 1 16 33 19 o 19.39975 6.201547 -0.4643193     5.252461      -4.473165      7.119940      3.545093       7.722124      16.83640 7.951423 21.96310 9.519012 -5.126698      12.40309 
1 1 1 16 33 20 o 23.50443 6.829557 5.841185       5.443744      -0.4454745E-01 7.268716      11.72488       8.104689      18.93272 8.629505 28.07614 10.58787 -9.143423      13.65911 
1 1 1 16 33 21 o 58.77213 5.036498 41.88367       5.938951      36.95993       7.800055      46.80741       8.954830      55.42716 7.036310 62.11711 7.208023 -6.689945      10.07300 
1 1 1 16 33 22 o 32.79168 6.564503 16.36524       5.158946      24.19363       7.054055      8.536844       7.530843      41.76711 8.728156 23.81624 9.807654 17.95087       13.12901 
1 1 1 16 34 0  o 26.69762 13.71233 12.12869       9.224042      12.12869       9.224042      12.12869       9.224042      26.69762 13.71233 26.69762 13.71233 0.000000       0.000000 
1 1 1 16 34 1  o 49.56922 6.972771 28.87649       6.671490      28.45851       9.146112      29.30157       9.712874      49.38823 9.602045 49.75020 10.11330 -0.3619690     13.94554 
1 1 1 16 34 2  o 20.73595 6.716623 -3.943951      6.369689      -8.005506      8.721042      0.1173905      9.280719      18.43174 8.749732 23.04016 10.19285 -4.608418      13.43325 
1 1 1 16 34 3  f 42.90826 8.251693 23.16637       7.275800      24.68954       10.52051      21.64320       10.05293      44.32491 11.69614 41.49162 11.64311 2.833286       16.50339 
1 1 1 16 34 4  o 28.09020 7.717888 5.953829       6.816014      -1.419737      9.989170      13.32598       9.273635      22.91041 10.32626 33.27000 11.47307 -10.35959      15.43578 
1 1 1 16 34 5  o 42.59747 9.704464 24.41325       9.493254      22.41541       11.70362      26.41817       14.94833      41.53532 12.81590 43.65963 14.57598 -2.124306      19.40893 
1 1 1 16 34 6  o 30.64348 9.037342 7.679617       9.429493      -0.4318014     11.51234      15.79847       14.94125      25.01796 11.18759 36.26899 14.19620 -11.25103      18.07468 
1 1 1 16 34 7  o 33.29728 9.294067 10.69762       9.656199      16.25188       12.19245      5.139817       14.97667      36.29316 13.09089 30.30140 13.19649 5.991760       18.58813 
1 1 1 16 34 8  o 32.46086 9.360447 12.65295       9.727042      5.407613       11.03768      19.90041       16.01101      27.27068 11.58710 37.65105 14.70411 -10.38037      18.72089 
1 1 1 16 34 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 34 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 34 11 o 26.31039 12.95229 0.000000       0.000000      ?              ?             12.13578       23.64812      ?        ?        26.31039 12.95229 ?              ?        
1 1 1 16 34 12 o 29.83406 7.896974 10.36465       6.620482      14.50909       8.997337      6.226583       9.712874      33.26114 11.30835 26.40697 11.02588 6.854164       15.79395 
1 1 1 16 34 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 34 14 o 26.54345 7.317787 7.800055       5.834808      11.68237       8.076350      3.909945       8.423491      29.74397 10.66179 23.34293 10.02628 6.401035       14.63557 
1 1 1 16 34 15 o 28.01866 7.378393 9.486169       5.775299      13.27639       7.899237      5.698077       8.423491      31.42949 10.59582 24.60782 10.27090 6.821672       14.75679 
1 1 1 16 34 16 o 24.38638 6.981386 5.660530       5.623690      10.71888       7.750463      0.6019714      8.154280      28.15526 10.40656 20.61750 9.309277 7.537758       13.96277 
1 1 1 16 34 17 o 49.19882 6.170595 30.54136       5.952412      27.91300       8.125941      33.16971       8.699788      46.55862 9.049500 51.83902 8.391157 -5.280403      12.34119 
1 1 1 16 34 18 o 25.39533 7.052565 8.402238       5.465705      12.00117       7.502505      4.804720       7.948828      28.44647 10.26814 22.34419 9.670577 6.102282       14.10513 
1 1 1 16 34 19 o 19.04622 6.092789 0.2721871      5.141943      3.866021       6.995961      -3.321930      7.537927      20.84381 9.047524 17.24862 8.162758 3.595196       12.18558 
1 1 1 16 34 20 o 23.40421 6.764665 7.750463       5.156112      10.47800       7.141194      5.027174       7.445828      25.61530 9.857682 21.19313 9.266544 4.422171       13.52933 
1 1 1 16 35 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 35 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 35 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 35 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 35 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 35 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 35 6  o 30.22274 9.675673 23.07428       13.11344      13.76522       13.09927      32.38333       22.72005      28.02602 12.27226 32.41946 14.96216 -4.393442      19.35135 
1 1 1 16 35 7  o 22.16928 7.093559 -0.4767881     6.803971      -3.022964      9.705790      2.069388       9.542846      20.95180 9.711368 23.38676 10.34232 -2.434963      14.18712 
1 1 1 16 35 8  o 22.93055 7.231020 -0.2901110     6.936451      6.770674       10.41424      -7.353730      9.160281      27.11860 11.37533 18.74250 8.930429 8.376099       14.46204 
1 1 1 16 35 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 35 10 o 19.95354 6.624868 -6.869856      6.995253      3.093101       10.15211      -16.83282      9.627860      23.89769 10.60511 16.00939 7.942745 7.888296       13.24974 
1 1 1 16 35 11 o 36.87548 6.961713 16.71946       6.966206      -2.307427      9.372816      35.74848       10.30797      20.76662 9.594014 52.98434 10.09042 -32.21772      13.92343 
1 1 1 16 35 12 o 28.41629 7.641390 10.42841       6.277591      3.679699       7.693786      17.17996       9.925409      22.56446 9.633277 34.26811 11.86437 -11.70365      15.28278 
1 1 1 16 35 13 o 23.35898 7.023821 3.749835       6.091268      7.948828       7.743378      -0.4515672     9.408240      25.58436 10.15831 21.13360 9.702835 4.450762       14.04764 
1 1 1 16 35 14 o 21.02546 6.503120 -0.8905239     5.913447      7.346645       7.481250      -9.131943      9.160281      24.73594 9.925815 17.31497 8.404791 7.420973       13.00624 
1 1 1 16 35 15 o 18.62350 6.129976 -5.529466      6.071432      3.455119       7.863815      -14.51618      9.252379      21.57391 9.477325 15.67309 7.777320 5.900812       12.25995 
1 1 1 16 35 16 f 20.04981 6.335308 0.7792970      5.462872      5.660530       7.339560      -4.102644      8.090520      22.51999 9.502727 17.57963 8.381092 4.940367       12.67062 
1 1 1 16 35 17 o 19.36283 6.183431 0.8465998      5.242543      -4.593602      7.012255      6.286801       7.792970      16.03525 7.682230 22.69042 9.691368 -6.655167      12.36686 
1 1 1 16 35 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 36 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 36 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 36 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 36 3  o 25.16028 7.327164 0.7615856      7.247461      -13.35432      10.77555      14.87749       9.705790      18.09490 8.857708 32.22567 11.67434 -14.13077      14.65433 
1 1 1 16 36 4  o 31.56207 8.229122 13.92108       6.983918      13.41808       10.88890      14.42408       8.749379      30.89993 12.11411 32.22421 11.14101 -1.324282      16.45824 
1 1 1 16 36 5  f 21.49222 6.959161 -0.8317224     6.767131      0.2191242      10.47800      -1.882357      8.565183      22.84477 10.39872 20.13968 9.251287 2.705093       13.91832 
1 1 1 16 36 6  o 35.63377 8.109624 18.00176       6.725333      12.33415       8.643111      23.66937       10.30797      30.46568 11.01869 40.80187 11.90179 -10.33619      16.21925 
1 1 1 16 36 7  o 26.40156 6.970427 6.008380       5.828433      -3.895777      8.182618      15.91183       8.303054      18.71459 8.762428 34.08854 10.84284 -15.37394      13.94085 
1 1 1 16 36 8  o 19.44814 6.318203 -2.296092      5.709413      -6.939286      7.856731      2.347809       8.288886      16.90955 8.108459 21.98672 9.691835 -5.077168      12.63641 
1 1 1 16 36 9  o 24.39566 7.140357 6.087018       5.788759      2.827431       8.118857      9.344479       8.253463      21.93160 9.632152 26.85971 10.54327 -4.928108      14.28071 
1 1 1 16 36 10 o 44.47742 6.900034 26.54569       6.011921      32.02202       8.777717      21.06936       8.218040      50.05692 9.104129 38.89793 10.37096 11.15899       13.80007 
1 1 1 16 36 11 o 21.83333 6.740651 3.435991       5.596061      1.796634       7.814223      5.075349       8.012589      20.69604 9.237020 22.97062 9.819519 -2.274584      13.48130 
1 1 1 16 36 12 o 29.14037 7.466832 12.57502       6.004128      19.32656       8.813140      5.824891       8.154280      35.08918 11.17193 23.19156 9.909706 11.89762       14.93366 
1 1 1 16 36 13 o 19.92562 6.450400 0.7870899      5.789468      2.292550       8.388069      -0.7183701     7.984251      20.85798 9.428539 18.99325 8.805301 1.864733       12.90080 
1 1 1 16 36 14 o 21.04384 6.396809 0.2692117E-01  5.699495      -12.05785      7.962997      12.10744       8.154280      14.62421 7.247768 27.46347 10.54260 -12.83926      12.79362 
1 1 1 16 36 15 o 21.37891 6.676101 5.073223       5.610230      4.758671       8.012589      5.387776       7.849646      21.20372 9.414080 21.55411 9.468705 -0.3503952     13.35220 
1 1 1 16 37 0  o 46.77312 10.76777 28.06886       8.756464      28.06886       8.756464      28.06886       8.756464      46.77312 10.76777 46.77312 10.76777 0.000000       0.000000 
1 1 1 16 37 1  o 19.49552 6.339042 -1.134940      5.665489      -2.922364      7.842561      0.6525549      8.182618      18.40738 8.607811 20.58366 9.308029 -2.176281      12.67808 
1 1 1 16 37 2  o 28.42047 7.394064 10.20879       6.090560      17.04535       8.402238      3.372939       8.820225      34.21296 10.90995 22.62798 9.983069 11.58498       14.78813 
1 1 1 16 37 3  f 26.16742 7.358284 8.777717       5.756171      9.252379       8.246379      8.310139       8.033843      26.57980 10.50525 25.75504 10.30617 0.8247604      14.71657 
1 1 1 16 37 4  o 49.08743 7.253880 34.15446       7.219123      48.80524       10.74721      19.50368       9.649114      62.75035 8.563469 35.42451 11.71077 27.32584       14.50776 
1 1 1 16 37 5  o 32.87194 7.847968 16.21646       6.359063      19.00776       8.345562      13.41808       9.599521      36.07772 10.76088 29.66617 11.42654 6.411552       15.69594 
1 1 1 16 37 6  o 33.53932 7.375277 15.35215       7.018632      0.8784802E-01  9.875818      30.61929       9.975000      21.23390 9.824462 45.84473 11.00267 -24.61083      14.75055 
1 1 1 16 37 7  o 24.37285 7.274458 4.894693       6.765006      -3.323347      10.05293      13.11344       9.054014      19.77473 9.390518 28.97096 11.11257 -9.196232      14.54892 
1 1 1 16 37 8  o 18.73033 6.370312 -9.734127      7.559181      -19.91458      11.70362      0.4519214      9.585353      16.62754 8.313748 20.83312 9.654278 -4.205582      12.74062 
1 1 1 16 37 9  o 20.88805 6.594196 -0.7112856     6.313014      -9.649114      9.649114      8.225125       8.140111      17.13391 8.386043 24.64218 10.17880 -7.508263      13.18839 
1 1 1 16 37 10 o 25.63372 7.294806 8.636027       6.314431      2.629065       9.486169      14.63661       8.331393      21.40014 9.790708 29.86731 10.81660 -8.467169      14.58961 
1 1 1 16 37 11 o 22.47044 6.925224 5.156112       6.155029      12.82298       9.238212      -2.510045      8.140111      27.10674 10.96646 17.83413 8.460000 9.272612       13.85045 
1 1 1 16 37 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 16 38 0  o 22.74169 12.46603 10.62678       8.005506      10.62678       8.005506      10.62678       8.005506      22.74169 12.46603 22.74169 12.46603 0.000000       0.000000 
1 1 1 16 38 1  f 22.96405 6.699089 5.387067       5.395568      12.00826       7.778800      -1.234832      7.474166      27.77891 10.39390 18.14919 8.454460 9.629721       13.39818 
1 1 1 16 38 2  o 17.64770 5.899626 -3.208578      5.543635      -0.3378606     7.814223      -6.079224      7.863815      18.86408 8.732229 16.43133 7.935396 2.432749       11.79925 
1 1 1 16 38 3  o 16.83890 5.732476 -6.758630      5.921240      -11.06602      8.876901      -2.453368      7.835476      15.85587 7.808756 17.82193 8.394548 -1.966059      11.46495 
1 1 1 16 38 4  o 26.37227 6.870386 5.788051       6.392360      -11.66820      8.827310      23.24430       9.252379      15.58197 7.700161 37.16256 11.38052 -21.58059      13.74077 
1 1 1 16 38 5  o 22.99654 6.961294 7.036344       5.713664      5.622273       7.459997      8.451830       8.657280      21.89935 9.421789 24.09373 10.25029 -2.194384      13.92259 
1 1 1 16 38 6  o 21.27710 6.597617 3.340350       5.800803      9.415324       7.771716      -2.731790      8.614774      24.56787 10.01422 17.98634 8.592418 6.581530       13.19523 
1 1 1 16 38 7  o 18.38702 6.028993 0.1435323      5.352353      -3.077514      7.608772      3.364437       7.530843      16.82840 8.047807 19.94564 8.979300 -3.117241      12.05799 
1 1 1 17 0  1  o 1013.845 10.47369 10293.80       212.3230      10293.80       212.3230      10293.80       212.3230      1013.845 10.47369 1013.845 10.47369 0.000000       0.000000 
1 1 1 17 0  2  o 853.3237 8.873122 7289.969       151.3961      7289.969       151.3961      7289.969       151.3961      853.3237 8.873122 853.3237 8.873122 0.000000       0.000000 
1 1 1 17 0  3  o 145.8942 2.789578 213.1023       8.133026      213.1023       8.133026      213.1023       8.133026      145.8942 2.789578 145.8942 2.789578 0.000000       0.000000 
1 1 1 17 0  4  o 226.6976 3.115477 514.2651       14.11944      514.2651       14.11944      514.2651       14.11944      226.6976 3.115477 226.6976 3.115477 0.000000       0.000000 
1 1 1 17 0  5  o 164.4702 2.825415 270.7703       9.287803      270.7703       9.287803      270.7703       9.287803      164.4702 2.825415 164.4702 2.825415 0.000000       0.000000 
1 1 1 17 0  6  o 257.1092 3.325698 661.4814       17.09494      661.4814       17.09494      661.4814       17.09494      257.1092 3.325698 257.1092 3.325698 0.000000       0.000000 
1 1 1 17 0  7  o 166.4766 2.900006 277.4297       9.649114      277.4297       9.649114      277.4297       9.649114      166.4766 2.900006 166.4766 2.900006 0.000000       0.000000 
1 1 1 17 0  8  f 42.56349 8.042425 19.87207       6.154321      19.87207       6.154321      19.87207       6.154321      42.56349 8.042425 42.56349 8.042425 0.000000       0.000000 
1 1 1 17 0  9  o 320.0742 3.874721 1025.130       24.79581      1025.130       24.79581      1025.130       24.79581      320.0742 3.874721 320.0742 3.874721 0.000000       0.000000 
1 1 1 17 0  10 o 231.5722 3.273400 536.6522       15.15378      536.6522       15.15378      536.6522       15.15378      231.5722 3.273400 231.5722 3.273400 0.000000       0.000000 
1 1 1 17 0  11 o 208.8290 3.256874 436.4771       13.59519      436.4771       13.59519      436.4771       13.59519      208.8290 3.256874 208.8290 3.256874 0.000000       0.000000 
1 1 1 17 0  12 o 624.5656 6.671459 3904.986       83.31393      3904.986       83.31393      3904.986       83.31393      624.5656 6.671459 624.5656 6.671459 0.000000       0.000000 
1 1 1 17 0  13 o 102.1822 3.395798 104.7800       6.922991      104.7800       6.922991      104.7800       6.922991      102.1822 3.395798 102.1822 3.395798 0.000000       0.000000 
1 1 1 17 0  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 0  15 o 107.6466 3.072069 116.1861       6.602063      116.1861       6.602063      116.1861       6.602063      107.6466 3.072069 107.6466 3.072069 0.000000       0.000000 
1 1 1 17 0  16 o 244.1682 3.281463 596.6581       16.01810      596.6581       16.01810      596.6581       16.01810      244.1682 3.281463 244.1682 3.281463 0.000000       0.000000 
1 1 1 17 0  17 o 386.1115 5.125807 1492.708       39.56703      1492.708       39.56703      1492.708       39.56703      386.1115 5.125807 386.1115 5.125807 0.000000       0.000000 
1 1 1 17 0  18 o 203.9702 3.595636 416.6405       14.65787      416.6405       14.65787      416.6405       14.65787      203.9702 3.595636 203.9702 3.595636 0.000000       0.000000 
1 1 1 17 0  19 o 166.7667 2.958800 278.4924       9.861650      278.4924       9.861650      278.4924       9.861650      166.7667 2.958800 166.7667 2.958800 0.000000       0.000000 
1 1 1 17 0  20 o 84.02656 4.680316 71.34109       7.814223      71.34109       7.814223      71.34109       7.814223      84.02656 4.680316 84.02656 4.680316 0.000000       0.000000 
1 1 1 17 0  21 o 95.48284 3.196835 91.53197       6.089851      91.53197       6.089851      91.53197       6.089851      95.48284 3.196835 95.48284 3.196835 0.000000       0.000000 
1 1 1 17 0  22 o 75.71756 3.649827 57.78133       5.499711      57.78133       5.499711      57.78133       5.499711      75.71756 3.649827 75.71756 3.649827 0.000000       0.000000 
1 1 1 17 0  23 o 134.2142 2.916806 180.5135       7.821308      180.5135       7.821308      180.5135       7.821308      134.2142 2.916806 134.2142 2.916806 0.000000       0.000000 
1 1 1 17 0  24 o 178.9299 2.973351 320.7161       10.63386      320.7161       10.63386      320.7161       10.63386      178.9299 2.973351 178.9299 2.973351 0.000000       0.000000 
1 1 1 17 0  25 o 228.4828 3.205965 522.9791       14.64370      522.9791       14.64370      522.9791       14.64370      228.4828 3.205965 228.4828 3.205965 0.000000       0.000000 
1 1 1 17 0  26 o 10.49557 7.072524 -1.465078      4.125315      -1.465078      4.125315      -1.465078      4.125315      10.49557 7.072524 10.49557 7.072524 0.000000       0.000000 
1 1 1 17 0  27 o 144.6259 2.956556 209.7017       8.543928      209.7017       8.543928      209.7017       8.543928      144.6259 2.956556 144.6259 2.956556 0.000000       0.000000 
1 1 1 17 0  28 o 43.10418 5.436538 18.87316       4.732458      18.87316       4.732458      18.87316       4.732458      43.10418 5.436538 43.10418 5.436538 0.000000       0.000000 
1 1 1 17 0  29 o 15.65671 8.998618 3.247543       4.421447      3.247543       4.421447      3.247543       4.421447      15.65671 8.998618 15.65671 8.998618 0.000000       0.000000 
1 1 1 17 0  30 o 28.71931 9.755335 10.79680       5.009462      10.79680       5.009462      10.79680       5.009462      28.71931 9.755335 28.71931 9.755335 0.000000       0.000000 
1 1 1 17 0  31 o 49.92519 6.154932 26.25522       5.992085      26.25522       5.992085      26.25522       5.992085      49.92519 6.154932 49.92519 6.154932 0.000000       0.000000 
1 1 1 17 0  32 o 223.4186 3.386743 501.0880       15.12545      501.0880       15.12545      501.0880       15.12545      223.4186 3.386743 223.4186 3.386743 0.000000       0.000000 
1 1 1 17 0  33 o 105.3422 3.465001 111.7228       7.282885      111.7228       7.282885      111.7228       7.282885      105.3422 3.465001 105.3422 3.465001 0.000000       0.000000 
1 1 1 17 0  34 o 86.66055 3.707298 75.87518       6.400154      75.87518       6.400154      75.87518       6.400154      86.66055 3.707298 86.66055 3.707298 0.000000       0.000000 
1 1 1 17 0  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 0  36 o 111.0196 3.334489 124.2624       7.389152      124.2624       7.389152      124.2624       7.389152      111.0196 3.334489 111.0196 3.334489 0.000000       0.000000 
1 1 1 17 0  37 f 11.46968 7.733201 -1.472871      4.944285      -1.472871      4.944285      -1.472871      4.944285      11.46968 7.733201 11.46968 7.733201 0.000000       0.000000 
1 1 1 17 0  38 o 49.66367 5.665451 26.16313       5.501836      26.16313       5.501836      26.16313       5.501836      49.66367 5.665451 49.66367 5.665451 0.000000       0.000000 
1 1 1 17 0  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 0  40 o 10.21840 7.088807 -2.515712      4.684991      -2.515712      4.684991      -2.515712      4.684991      10.21840 7.088807 10.21840 7.088807 0.000000       0.000000 
1 1 1 17 0  41 o 11.05582 7.394410 -0.4622648     4.349185      -0.4622648     4.349185      -0.4622648     4.349185      11.05582 7.394410 11.05582 7.394410 0.000000       0.000000 
1 1 1 17 0  42 o 9.865999 6.843087 -2.028297      4.362646      -2.028297      4.362646      -2.028297      4.362646      9.865999 6.843087 9.865999 6.843087 0.000000       0.000000 
1 1 1 17 1  0  o 189.0713 2.926108 357.7682       11.05893      357.7682       11.05893      357.7682       11.05893      189.0713 2.926108 189.0713 2.926108 0.000000       0.000000 
1 1 1 17 1  1  o 176.4693 2.034550 311.5771       7.183701      321.1412       10.35756      301.9422       9.953747      179.1886 2.890130 173.7500 2.864388 5.438553       4.069099 
1 1 1 17 1  2  o 352.7482 2.889275 1244.750       20.38216      1245.458       28.79148      1244.041       28.86232      352.8488 4.079861 352.6476 4.092233 0.2011414      5.778550 
1 1 1 17 1  3  o 320.0712 2.690840 1025.130       17.22955      1025.130       24.34949      1024.421       24.37074      320.1265 3.803103 320.0158 3.807741 0.1107483      5.381680 
1 1 1 17 1  4  f 503.7934 3.861590 2539.800       38.90817      2538.383       54.96169      2541.217       55.08921      503.6532 5.456303 503.9337 5.465919 -0.2804565     7.723180 
1 1 1 17 1  5  f 284.9543 2.494608 811.8857       14.21863      811.1773       20.07044      813.3027       20.14128      284.7680 3.523998 285.1407 3.531816 -0.3726196     4.989217 
1 1 1 17 1  6  f 203.0924 2.131157 412.5315       8.657280      413.0982       12.27038      412.0356       12.21371      203.2231 3.018944 202.9617 3.008870 0.2613831      4.262314 
1 1 1 17 1  7  o 220.0218 2.209040 484.2268       9.719957      476.3630       13.58811      492.1615       13.90691      218.2274 3.113290 221.8162 3.134782 -3.588791      4.418080 
1 1 1 17 1  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 1  9  o 455.2148 3.570729 2073.638       32.51085      2089.933       46.32566      2057.344       45.62430      457.0022 5.068429 453.4273 5.031048 3.574829       7.141458 
1 1 1 17 1  10 o 478.7407 3.728264 2293.967       35.69889      2273.422       50.07337      2313.804       50.89518      476.6347 5.252804 480.8466 5.292246 -4.211914      7.456528 
1 1 1 17 1  11 o 651.1336 4.891143 4245.751       63.69690      4225.207       89.68999      4265.588       90.46929      649.5869 6.903617 652.6803 6.930598 -3.093384      9.782286 
1 1 1 17 1  12 o 652.3389 4.899276 4262.046       63.93069      4201.828       89.19408      4322.973       91.60282      647.7099 6.885342 656.9679 6.971635 -9.257996      9.798553 
1 1 1 17 1  13 o 320.5147 2.750310 1027.964       17.63337      1046.383       25.33423      1009.544       24.53369      323.3853 3.917036 317.6442 3.861819 5.741089       5.500619 
1 1 1 17 1  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 1  15 o 516.6271 4.682781 2675.114       48.14639      2732.499       52.92843      2617.021       80.48012      522.4218 5.065680 510.8325 7.877350 11.58926       9.365562 
1 1 1 17 1  16 o 462.3925 4.168332 2141.650       38.54686      2133.148       54.32409      2150.151       54.70665      461.4760 5.885906 463.3091 5.903904 -1.833130      8.336664 
1 1 1 17 1  17 o 305.3264 2.731408 933.0310       16.67695      933.7395       20.48134      932.3226       26.32607      305.4742 3.352385 305.1787 4.313222 0.2955322      5.462817 
1 1 1 17 1  18 o 279.7042 2.591013 782.8392       14.49492      783.5477       17.81048      782.8392       22.86882      279.8047 3.182662 279.6038 4.089506 0.2009583      5.182026 
1 1 1 17 1  19 o 180.4687 2.269813 326.2421       8.225125      309.1684       10.48509      343.3157       12.67420      175.7554 2.982862 185.1819 3.422096 -9.426422      4.539627 
1 1 1 17 1  20 o 108.9529 2.321862 118.9491       5.040634      110.8019       7.353730      127.1671       6.891819      105.1938 3.495325 112.7121 3.057267 -7.518303      4.643724 
1 1 1 17 1  21 o 94.33564 2.275692 89.12323       4.288259      93.58647       6.019006      84.73083       6.108980      96.68336 3.112741 91.98792 3.320534 4.695450       4.551385 
1 1 1 17 1  22 o 321.5985 2.748820 1036.465       17.68296      1055.593       25.44050      1017.337       24.56911      324.5609 3.919219 318.6360 3.855356 5.924866       5.497640 
1 1 1 17 1  23 o 292.4614 2.582572 857.2267       15.10419      847.3083       21.20396      867.1450       21.52276      290.7705 3.646168 294.1523 3.658439 -3.381836      5.165145 
1 1 1 17 1  24 o 26.83274 5.298873 7.410406       3.094517      4.200410       4.257087      10.61969       4.493001      21.87253 7.750589 31.79294 7.227765 -9.920410      10.59775 
1 1 1 17 1  25 o 155.5703 2.082505 242.5739       6.479500      250.2960       9.337394      234.8518       8.990252      158.0462 2.954008 153.0944 2.936180 4.951813       4.165011 
1 1 1 17 1  26 o 126.2718 2.097965 159.8267       5.297802      156.2845       7.474166      163.3690       7.509589      124.8698 2.992784 127.6737 2.940930 -2.803917      4.195929 
1 1 1 17 1  27 o 97.56454 2.279118 95.57014       4.445535      89.83168       6.184076      101.3086       6.388110      94.62860 3.267551 100.5005 3.178149 -5.871880      4.558237 
1 1 1 17 1  28 o 148.6822 2.113453 221.6746       6.284676      219.1950       8.876901      224.2250       8.898154      147.8369 3.002261 149.5274 2.975426 -1.690506      4.226906 
1 1 1 17 1  29 o 36.03110 4.818146 13.60227       3.344601      13.72979       4.672948      13.47475       4.785592      36.22173 6.702664 35.84047 6.923324 0.3812637      9.636292 
1 1 1 17 1  30 o 306.3516 2.726728 943.6578       16.70529      942.9493       23.64812      945.0746       23.60561      306.1766 3.861843 306.5267 3.850499 -0.3500977     5.453455 
1 1 1 17 1  31 o 145.5010 2.486567 213.5274       7.190785      236.1270       9.967916      190.9278       10.36465      153.2834 3.251466 137.7185 3.762983 15.56490       4.973135 
1 1 1 17 1  32 o 123.7585 2.365440 154.1591       5.856062      161.4562       8.409323      146.9329       8.147196      126.6802 3.319116 120.8368 3.371156 5.843338       4.730879 
1 1 1 17 1  33 o 22.11139 5.752667 3.793759       3.479915      6.407238       4.991751      1.180989       4.850770      25.31086 8.423020 18.91191 7.837438 6.398954       11.50533 
1 1 1 17 1  34 o 67.55431 3.051990 46.24773       4.122481      45.06462       5.836935      47.43085       5.822765      66.67755 4.376987 68.43108 4.254475 -1.753525      6.103980 
1 1 1 17 1  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 1  36 o 77.13136 2.809820 60.48053       4.328640      56.75408       6.108272      64.21407       6.135192      74.71606 4.087656 79.54665 3.856349 -4.830589      5.619640 
1 1 1 17 1  37 o 29.94735 5.593851 10.02459       3.445201      7.913406       4.836601      12.13578       4.907445      26.81388 8.231649 33.08082 7.576582 -6.266937      11.18770 
1 1 1 17 1  38 o 38.77939 4.908093 16.52110       3.665530      20.50259       5.212788      12.54668       5.154695      44.18538 5.898770 33.37340 7.846148 10.81199       9.816187 
1 1 1 17 1  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 1  40 o 19.12399 5.502489 2.753752       3.313429      3.614521       4.787717      1.892983       4.581558      20.14618 7.991265 18.10180 7.566321 2.044374       11.00498 
1 1 1 17 1  41 f 41.97636 4.210381 19.92166       3.382857      23.89608       4.796218      15.94725       4.772131      46.95635 5.107103 36.99638 6.695275 9.959972       8.420761 
1 1 1 17 1  42 f 50.33026 3.486859 27.96259       3.485583      24.47701       4.927990      31.44818       4.929408      46.86826 5.257278 53.79225 4.581894 -6.923988      6.973717 
1 1 1 17 2  0  o 574.9197 6.135769 3307.761       70.53346      3307.761       70.53346      3307.761       70.53346      574.9197 6.135769 574.9197 6.135769 0.000000       0.000000 
1 1 1 17 2  1  o 485.4190 3.737360 2357.728       36.28690      2342.850       51.02978      2372.605       51.59655      483.8882 5.272891 486.9499 5.297932 -3.061737      7.474721 
1 1 1 17 2  2  o 99.00907 2.142623 98.04973       4.242918      97.05790       5.963038      99.04156       6.037426      98.50832 3.026668 99.50983 3.033583 -1.001511      4.285247 
1 1 1 17 2  3  o 262.3812 2.382221 688.6151       12.50417      678.3426       17.49167      698.9586       17.86716      260.4176 3.358390 264.3448 3.379516 -3.927216      4.764442 
1 1 1 17 2  4  o 314.2055 2.660955 987.5818       16.71946      984.7480       23.59144      990.4156       23.70480      313.7548 3.759535 314.6562 3.766778 -0.9013977     5.321909 
1 1 1 17 2  5  o 364.3789 2.963026 1328.347       21.59361      1315.595       30.30048      1341.099       30.77514      362.6303 4.177875 366.1275 4.202791 -3.497131      5.926052 
1 1 1 17 2  6  o 274.1828 2.451926 751.6674       13.44641      757.3350       19.08569      746.7082       18.94400      275.1514 3.468216 273.2142 3.466877 1.937225       4.903851 
1 1 1 17 2  7  o 157.8408 2.070096 249.2334       6.535468      249.4459       9.238212      248.9500       9.245295      157.9194 2.924977 157.7623 2.930136 0.1571198      4.140192 
1 1 1 17 2  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 2  9  f 213.3064 2.437398 455.1094       10.39299      458.6517       13.63770      451.6380       15.68512      214.1330 3.184398 212.4798 3.690969 1.653275       4.874796 
1 1 1 17 2  10 o 478.5224 3.732879 2291.842       35.72723      2294.675       50.56929      2288.299       50.47719      478.8552 5.280228 478.1895 5.277948 0.6656494      7.465758 
1 1 1 17 2  11 o 309.6498 2.726788 959.2438       16.88949      953.5761       23.73314      964.9113       24.03068      308.7355 3.843604 310.5641 3.868876 -1.828674      5.453576 
1 1 1 17 2  12 o 128.8070 2.450215 166.0611       6.287509      173.4290       8.274716      158.6932       9.472000      131.6705 3.142206 125.9434 3.760419 5.727081       4.900430 
1 1 1 17 2  13 o 211.9759 2.414281 449.6544       10.26547      435.2019       12.97175      464.1068       15.91183      208.5765 3.109591 215.3754 3.693976 -6.798874      4.828562 
1 1 1 17 2  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 2  15 o 290.4418 3.052709 844.4745       17.84590      820.3871       18.41975      868.5620       30.56969      286.3549 3.216244 294.5287 5.189596 -8.173767      6.105418 
1 1 1 17 2  16 o 266.9026 2.812988 713.4109       15.01209      722.6208       21.40941      703.2801       21.06227      268.7126 3.983701 265.0927 3.972623 3.619843       5.625977 
1 1 1 17 2  17 o 119.9913 2.233766 144.4533       5.288592      159.4725       6.773507      129.4341       8.125941      126.2559 2.682453 113.7267 3.572576 12.52919       4.467533 
1 1 1 17 2  18 o 202.8472 2.351715 412.0356       9.514507      429.5343       12.82298      394.5368       14.06277      207.1691 3.094810 198.5253 3.541808 8.643768       4.703430 
1 1 1 17 2  19 o 246.7132 2.760197 609.6228       13.60936      610.7563       14.67204      608.4184       22.93258      247.0276 2.969716 246.3988 4.653550 0.6287689      5.520393 
1 1 1 17 2  20 o 208.6390 2.503173 435.9104       10.44966      430.2428       14.42408      441.5780       15.11836      207.2874 3.479246 209.9906 3.599771 -2.703201      5.006346 
1 1 1 17 2  21 o 116.1193 2.173460 135.0309       5.049136      133.8265       7.183701      136.1644       7.091603      115.6151 3.106731 116.6235 3.040383 -1.008415      4.346919 
1 1 1 17 2  22 o 144.7970 2.236676 209.9143       6.478083      209.4184       8.494337      210.4810       9.783719      144.6274 2.936627 144.9665 3.374476 -0.3390503     4.473351 
1 1 1 17 2  23 o 77.01727 2.833771 59.92085       4.269130      49.54203       6.402987      70.30676       5.647069      70.26468 4.556334 83.76987 3.370585 -13.50520      5.667541 
1 1 1 17 2  24 o 69.67696 2.646819 48.73440       3.684657      51.73824       5.242543      45.73765       5.178782      71.82871 3.649336 67.52522 3.834703 4.303497       5.293638 
1 1 1 17 2  25 f 130.5489 2.067386 170.8077       5.397694      171.4453       7.722124      170.0993       7.545012      130.8036 2.951801 130.2941 2.895377 0.5094604      4.134772 
1 1 1 17 2  26 o 151.0279 2.090535 228.6174       6.315140      227.9798       8.954830      229.2550       8.905238      150.8158 2.968797 151.2399 2.944077 -0.4241180     4.181070 
1 1 1 17 2  27 o 32.82499 5.065838 11.36357       3.233374      11.62569       4.583683      11.09435       4.562429      33.22063 7.105710 32.42934 7.222172 0.7912827      10.13168 
1 1 1 17 2  28 o 146.4162 2.117926 215.0151       6.203912      216.0069       8.883986      214.0233       8.657280      146.7493 3.026926 146.0831 2.963135 0.6661682      4.235853 
1 1 1 17 2  29 o 45.26406 3.926477 20.71513       3.552886      21.89116       5.095185      19.54619       4.953495      46.55257 5.472507 43.97556 5.632101 2.577015       7.852954 
1 1 1 17 2  30 o 142.1724 2.227035 203.0423       6.333559      192.9823       8.756464      213.1023       9.153197      138.6467 3.157832 145.6981 3.141151 -7.051392      4.454070 
1 1 1 17 2  31 o 120.5508 2.479737 146.5787       5.978625      130.8510       8.104689      162.3772       8.791886      114.0420 3.553379 127.0595 3.459751 -13.01756      4.959474 
1 1 1 17 2  32 o 134.8224 2.320634 182.9931       6.254921      194.6117       9.011506      171.4453       8.678535      139.1031 3.239147 130.5416 3.324049 8.561447       4.641268 
1 1 1 17 2  33 o 82.92810 2.689694 69.39285       4.458995      67.84134       6.368274      70.91602       6.243586      81.99405 3.883375 83.86215 3.722528 -1.868103      5.379389 
1 1 1 17 2  34 o 16.58589 5.219372 -1.569929      3.489125      -2.224539      4.912405      -0.9153197     4.956328      16.03462 7.233543 17.13716 7.526170 -1.102541      10.43874 
1 1 1 17 2  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 2  36 o 47.92985 3.954500 23.80398       3.778173      26.96367       5.480583      20.64428       5.201453      51.18651 5.353542 44.67319 5.821671 6.513313       7.908999 
1 1 1 17 2  37 o 81.01517 2.788317 66.95577       4.518506      68.76942       6.494378      65.13506       6.284676      82.11024 3.954670 79.92011 3.931849 2.190125       5.576634 
1 1 1 17 2  38 o 30.34915 5.768224 10.44258       3.652069      13.16303       5.177365      7.722124       5.152570      34.24733 7.740153 26.45097 8.554512 7.796362       11.53645 
1 1 1 17 2  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 2  40 o 76.34212 2.782233 60.70015       4.255670      65.07838       6.332850      56.32192       5.688159      79.04530 4.005836 73.63894 3.862195 5.406364       5.564466 
1 1 1 17 2  41 o 71.73444 2.808666 54.09029       4.029674      54.32409       5.922657      53.85650       5.465705      71.75041 4.127264 71.71847 3.810529 0.3194427E-01  5.617333 
1 1 1 17 2  42 o 16.05080 4.993071 0.7545011      3.110812      1.516795       4.677907      -0.7219125E-02 4.102644      17.07800 7.405394 15.02360 6.699489 2.054405       9.986141 
1 1 1 17 3  0  o 372.8099 4.261729 1390.691       31.76698      1390.691       31.76698      1390.691       31.76698      372.8099 4.261729 372.8099 4.261729 0.000000       0.000000 
1 1 1 17 3  1  o 498.6811 3.831353 2488.791       38.21389      2477.456       53.84941      2499.418       54.23198      497.5812 5.411119 499.7810 5.425575 -2.199738      7.662707 
1 1 1 17 3  2  o 129.6327 2.026131 168.1864       5.252461      159.6142       7.268716      176.7587       7.587519      126.3268 2.876949 132.9385 2.853770 -6.611702      4.052263 
1 1 1 17 3  3  o 525.9125 4.012085 2767.921       42.20247      2771.463       59.79333      2764.379       59.56663      526.2485 5.681092 525.5765 5.666789 0.6719971      8.024170 
1 1 1 17 3  4  o 301.4114 2.593798 908.9437       15.64262      885.5648       21.62903      932.3226       22.59961      297.5353 3.634700 305.2874 3.701367 -7.752045      5.187597 
1 1 1 17 3  5  o 182.9619 2.251463 335.0977       8.274716      353.5883       12.88674      316.6071       10.39299      188.0097 3.427147 177.9141 2.920788 10.09557       4.502925 
1 1 1 17 3  6  o 250.3534 2.343106 626.9798       11.73196      638.5276       16.77614      615.5029       16.40774      252.6517 3.320013 248.0550 3.307279 4.596695       4.686212 
1 1 1 17 3  7  o 693.8257 5.173140 4821.723       71.76617      4876.274       102.5838      4766.464       100.4585      697.7715 7.350818 689.8800 7.280865 7.891479       10.34628 
1 1 1 17 3  8  o 324.9859 2.781112 1056.302       18.07969      1071.888       25.85140      1041.424       25.27756      327.3278 3.948856 322.6440 3.917253 4.683807       5.562223 
1 1 1 17 3  9  o 154.3440 2.161668 238.3940       6.673616      247.1080       9.599521      229.6092       9.273635      157.1777 3.053716 151.5102 3.060399 5.667465       4.323335 
1 1 1 17 3  10 o 259.7224 2.575774 674.8712       13.40391      664.0319       16.17395      685.6396       21.38816      257.6549 3.138686 261.7899 4.084985 -4.135040      5.151549 
1 1 1 17 3  11 o 340.9152 3.138868 1162.569       21.40941      1156.193       27.82090      1169.654       32.55336      339.9437 4.091987 341.8867 4.760841 -1.942963      6.277736 
1 1 1 17 3  12 o 277.8540 2.633811 772.9209       14.69329      750.2504       17.48459      794.8829       23.61978      273.8581 3.192272 281.8499 4.190135 -7.991852      5.267621 
1 1 1 17 3  13 o 173.6111 2.325149 301.5171       8.062181      306.1220       10.64095      296.9830       12.12161      174.9318 3.041455 172.2903 3.517787 2.641525       4.650298 
1 1 1 17 3  14 o 699.8123 5.409872 4910.279       75.87518      4837.309       91.24860      4983.250       121.2161      694.8489 6.566074 704.7756 8.599624 -9.926758      10.81974 
1 1 1 17 3  15 o 268.7204 2.530706 722.6208       13.55977      741.0406       17.01701      704.2719       21.11895      272.1582 3.126309 265.2826 3.980463 6.875580       5.061412 
1 1 1 17 3  16 o 347.0765 3.121232 1205.785       21.66446      1207.202       28.36641      1204.368       32.75172      347.3045 4.083795 346.8484 4.721331 0.4561157      6.242464 
1 1 1 17 3  17 o 179.9230 2.279795 323.9041       8.196787      327.1630       10.81097      320.7161       12.32706      180.8264 2.989324 179.0197 3.442935 1.806686       4.559590 
1 1 1 17 3  18 o 299.7619 3.097048 900.4422       18.56144      901.1507       19.90041      899.0253       31.33482      300.0466 3.316220 299.4772 5.231587 0.5694275      6.194096 
1 1 1 17 3  19 o 370.0382 3.127511 1372.271       23.03177      1433.906       29.44325      1311.344       35.42967      378.3840 3.890658 361.6924 4.897763 16.69162       6.255022 
1 1 1 17 3  20 f 289.3943 2.669107 838.8069       15.45133      835.9731       18.71730      841.6407       24.59744      288.9652 3.238676 289.8233 4.243524 -0.8581238     5.338213 
1 1 1 17 3  21 o 272.5754 2.574324 744.5828       14.01318      753.7927       17.31456      734.6645       22.03285      274.3828 3.155184 270.7679 4.068585 3.614838       5.148648 
1 1 1 17 3  22 o 429.1701 3.528218 1848.351       30.32882      1827.097       36.62696      1869.604       48.34475      426.8967 4.289908 431.4435 5.602675 -4.546753      7.056436 
1 1 1 17 3  23 o 83.29040 2.435489 69.56287       4.056595      73.60814       5.855353      65.53887       5.616605      85.70888 3.415839 80.87192 3.472532 4.836960       4.870979 
1 1 1 17 3  24 o 140.1115 2.097825 196.7370       5.880858      188.4482       8.133026      205.0968       8.494337      137.1467 2.965082 143.0764 2.968462 -5.929642      4.195650 
1 1 1 17 3  25 f 102.5429 2.206211 105.7719       4.522048      118.4531       6.648112      93.09056       6.131650      108.7168 3.057536 96.36891 3.181343 12.34791       4.412422 
1 1 1 17 3  26 o 144.4391 2.087857 209.1350       6.030342      212.8898       8.621859      205.3802       8.437660      145.7352 2.958056 143.1430 2.947284 2.592209       4.175713 
1 1 1 17 3  27 o 184.6842 2.150966 342.0405       7.941744      347.3539       11.34231      336.7271       11.12978      186.1179 3.047077 183.2505 3.036766 2.867416       4.301933 
1 1 1 17 3  28 o 19.50304 5.437912 1.990041       3.196534      3.852561       4.613438      0.1276630      4.424990      21.75326 8.031169 17.25281 7.333748 4.500448       10.87582 
1 1 1 17 3  29 o 157.0115 2.160981 247.3205       6.785551      245.6911       9.663282      248.9500       9.528677      156.4891 3.087526 157.5340 3.024325 -1.044861      4.321962 
1 1 1 17 3  30 o 185.1670 2.248986 344.2367       8.324308      340.2694       11.78155      348.2041       11.77447      184.0955 3.199848 186.2385 3.161126 -2.142990      4.497972 
1 1 1 17 3  31 f 188.7074 4.390847 363.7191       16.40066      396.8038       21.35274      330.7053       24.88791      197.7394 5.399211 179.6754 6.925798 18.06400       8.781694 
1 1 1 17 3  32 f 125.9131 2.348344 159.5433       5.913447      165.1401       8.508506      153.9466       8.218040      128.1225 3.320459 123.7038 3.321661 4.418655       4.696688 
1 1 1 17 3  33 o 173.0848 2.241805 301.4463       7.757547      294.0075       10.90307      308.9558       11.04476      170.9326 3.189290 175.2370 3.151379 -4.304382      4.483611 
1 1 1 17 3  34 o 129.3752 2.280670 168.6115       5.902112      167.7614       8.338477      169.5325       8.352647      129.0338 3.231122 129.7166 3.219576 -0.6828308     4.561340 
1 1 1 17 3  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 3  36 o 47.89811 3.924028 23.68354       3.759045      23.74730       5.378566      23.62687       5.253170      47.94263 5.609377 47.85358 5.488794 0.8905029E-01  7.848055 
1 1 1 17 3  37 f 55.41858 3.516438 31.72447       3.896485      32.24164       5.479167      31.21438       5.542218      55.89245 4.901526 54.94471 5.043451 0.9477425      7.032877 
1 1 1 17 3  38 o 24.68531 5.686160 5.785926       3.654194      10.98100       5.199328      0.5895736      5.136983      31.06761 8.233631 18.30300 7.844550 12.76462       11.37232 
1 1 1 17 3  39 o 56.15693 3.815721 34.46618       4.288259      37.10162       6.277591      31.83074       5.842602      58.31938 5.382080 53.99447 5.410371 4.324909       7.631441 
1 1 1 17 3  40 o 59.41967 3.263027 37.24331       3.858937      34.96918       5.693118      39.51744       5.211371      57.36550 4.962145 61.47385 4.238690 -4.108349      6.526053 
1 1 1 17 3  41 o 49.04253 3.692407 26.21980       3.603894      24.83123       5.343143      27.61545       4.837308      47.40648 5.635457 50.67859 4.772537 -3.272114      7.384814 
1 1 1 17 3  42 o 26.77056 5.568859 9.415324       3.229832      8.423491       4.825974      10.40716       4.293218      25.02243 8.281976 28.51870 7.446989 -3.496269      11.13772 
1 1 1 17 4  0  o 557.9146 5.988120 3115.063       66.79992      3115.063       66.79992      3115.063       66.79992      557.9146 5.988120 557.9146 5.988120 0.000000       0.000000 
1 1 1 17 4  1  o 561.6925 4.260253 3158.278       47.87009      3213.537       68.80483      3102.311       66.56612      566.6351 6.071354 556.7499 5.978100 9.885193       8.520506 
1 1 1 17 4  2  o 345.7876 2.856095 1196.575       19.75872      1179.572       27.58711      1212.870       28.28139      343.3820 4.016972 348.1933 4.061163 -4.811310      5.712190 
1 1 1 17 4  3  o 547.9471 4.168350 3005.253       45.68097      3047.051       65.38302      2963.454       63.82442      551.7554 5.925001 544.1388 5.864718 7.616577       8.336699 
1 1 1 17 4  4  o 142.0785 2.054705 201.9088       5.839059      201.6962       8.239295      202.1213       8.274716      142.0037 2.901084 142.1532 2.910493 -0.1494598     4.109411 
1 1 1 17 4  5  o 324.7538 2.747513 1055.593       17.84590      1079.681       25.73097      1030.797       24.74622      328.5142 3.916265 320.9933 3.854631 7.520844       5.495026 
1 1 1 17 4  6  f 304.2318 2.639500 925.9465       16.06060      932.3226       22.86882      919.5704       22.55711      305.2788 3.745564 303.1847 3.720027 2.094147       5.279001 
1 1 1 17 4  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 4  8  o 370.4379 3.153409 1372.980       23.34349      1382.898       28.81982      1363.061       36.72614      371.7997 3.875719 369.0760 4.975417 2.723633       6.306819 
1 1 1 17 4  9  o 350.8608 3.045878 1231.289       21.39524      1221.371       25.98601      1241.916       33.99860      349.4189 3.718461 352.3026 4.825199 -2.883667      6.091756 
1 1 1 17 4  10 o 291.2086 2.729462 848.7253       15.90474      846.5999       19.45408      850.1422       25.15712      290.9194 3.343552 291.4977 4.315149 -0.5783081     5.458924 
1 1 1 17 4  11 o 413.9822 3.445354 1715.162       28.56478      1696.742       34.50869      1733.582       45.53220      411.8000 4.189981 416.1644 5.470458 -4.364410      6.890708 
1 1 1 17 4  12 o 323.6531 2.882210 1047.800       18.66062      1044.258       22.72005      1052.051       29.62037      323.0767 3.516200 324.2296 4.567809 -1.152832      5.764420 
1 1 1 17 4  13 o 269.7228 2.581664 728.2885       13.94941      717.6617       16.81865      738.2068       22.26664      267.8385 3.139699 271.6071 4.099054 -3.768555      5.163328 
1 1 1 17 4  14 o 136.6937 2.532816 186.9604       6.922991      187.1021       7.431659      186.8187       11.68237      136.7623 2.716998 136.6250 4.275342 0.1373749      5.065632 
1 1 1 17 4  15 o 123.3706 2.202451 152.3171       5.444452      149.9792       6.623316      154.5842       8.643111      122.4449 2.704612 124.2964 3.476815 -1.851547      4.404902 
1 1 1 17 4  16 o 228.4686 2.461895 522.2707       11.25021      521.2788       14.66495      523.3334       17.06660      228.2545 3.212412 228.6826 3.731504 -0.4281158     4.923790 
1 1 1 17 4  17 o 144.1290 2.247954 207.9306       6.463206      216.7154       8.728126      199.2166       9.535762      147.1686 2.965349 141.0894 3.379333 6.079208       4.495908 
1 1 1 17 4  18 o 145.2271 2.515060 211.2603       7.374983      201.9796       7.474166      220.5410       12.72379      142.0741 2.630377 148.3801 4.287567 -6.306046      5.030120 
1 1 1 17 4  19 o 230.7213 2.370891 532.8975       10.94558      531.4097       13.29764      534.4560       17.38541      230.4258 2.885450 231.0168 3.762801 -0.5910950     4.741782 
1 1 1 17 4  20 o 209.6221 2.291232 440.0194       9.627860      430.9512       11.44150      449.0168       15.50093      207.5044 2.756928 211.7397 3.660373 -4.235275      4.582465 
1 1 1 17 4  21 o 189.8664 2.215298 360.9562       8.423491      356.7763       10.20879      365.1360       13.40391      188.7973 2.703637 190.9355 3.510061 -2.138184      4.430596 
1 1 1 17 4  22 o 171.7787 2.159299 295.7078       7.374983      311.0103       9.394071      280.3344       11.37065      176.2647 2.664762 167.2927 3.398430 8.971970       4.318597 
1 1 1 17 4  23 o 199.5167 2.233590 398.8584       8.940661      388.5858       10.78972      409.1309       14.26113      196.9918 2.738622 202.0416 3.529256 -5.049835      4.467180 
1 1 1 17 4  24 o 179.9751 2.292686 324.9668       8.225125      344.8743       11.34231      305.0593       11.92324      185.5161 3.056961 174.4341 3.417693 11.08203       4.585372 
1 1 1 17 4  25 o 150.9861 2.088754 228.4757       6.307346      226.7754       8.969000      230.1051       8.869816      150.4330 2.981061 151.5391 2.926577 -1.106125      4.177509 
1 1 1 17 4  26 o 143.7973 2.099844 207.2930       6.040968      205.5219       8.522675      209.0641       8.558097      143.1822 2.976165 144.4124 2.963076 -1.230225      4.199687 
1 1 1 17 4  27 o 107.7774 2.244408 116.4695       4.837308      115.9736       6.880484      117.0362       6.802555      107.5291 3.199360 108.0257 3.148581 -0.4966431     4.488816 
1 1 1 17 4  28 o 114.9863 2.202918 132.6930       5.064722      138.0064       7.247461      127.4505       7.078850      117.2766 3.089900 112.6959 3.140686 4.580719       4.405836 
1 1 1 17 4  29 o 122.5315 2.224967 150.6877       5.453662      153.9466       7.849646      147.4288       7.573349      123.8536 3.168922 121.2094 3.124076 2.644119       4.449935 
1 1 1 17 4  30 o 35.26265 5.344942 13.17720       3.654903      13.55977       5.094476      12.80172       5.241126      35.81459 7.364820 34.71071 7.748099 1.103878       10.68988 
1 1 1 17 4  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 4  32 o 27.43288 5.494334 7.197870       3.718663      14.13361       5.401237      0.2532715      5.112897      36.36887 7.665424 18.49689 7.873505 17.87199       10.98867 
1 1 1 17 4  33 o 139.1832 2.255619 194.9659       6.281133      200.2793       9.089437      189.7234       8.671450      141.0582 3.221874 137.3083 3.157658 3.749969       4.511239 
1 1 1 17 4  34 o 90.54005 2.563179 82.95970       4.622647      74.38744       6.530509      91.60282       6.544678      85.78748 3.806213 95.29263 3.433990 -9.505150      5.126358 
1 1 1 17 4  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 4  36 o 83.41105 2.702513 70.73891       4.502919      67.77758       6.452579      73.67899       6.281842      81.62424 3.952612 85.19785 3.686620 -3.573608      5.405026 
1 1 1 17 4  37 o 94.22789 2.599032 90.46929       4.896819      88.27309       6.915198      92.73634       6.935743      93.04640 3.715994 95.40937 3.634728 -2.362968      5.198063 
1 1 1 17 4  38 o 54.98066 3.878839 31.68196       4.264880      30.93809       6.011213      32.42584       6.050887      54.31284 5.533879 55.64848 5.436705 -1.335640      7.757679 
1 1 1 17 4  39 o 33.02395 5.734061 13.00009       3.767547      12.90799       5.576932      13.09219       5.066138      32.67702 8.466654 33.37088 7.735218 -0.6938591     11.46812 
1 1 1 17 4  40 o 27.35300 5.745914 9.068183       3.402694      10.93141       5.114314      7.197870       4.488750      29.98874 8.265905 24.71726 7.983541 5.271471       11.49183 
1 1 1 17 4  41 o 15.77808 5.045975 -1.663445      3.538717      -5.264505      4.900361      1.937616       5.105812      13.23475 6.360194 18.32142 7.835522 -5.086673      10.09195 
1 1 1 17 4  42 o 25.18443 5.536723 7.892153       3.618063      13.43933       4.941452      2.339308       5.287176      32.11740 7.766746 18.25145 7.892962 13.86595       11.07345 
1 1 1 17 5  0  o 276.7763 3.516958 766.5449       19.46117      766.5449       19.46117      766.5449       19.46117      276.7763 3.516958 276.7763 3.516958 0.000000       0.000000 
1 1 1 17 5  1  o 614.5273 4.622077 3780.299       56.80367      3778.882       80.33842      3782.424       80.33842      614.3832 6.538137 614.6714 6.535072 -0.2881470     9.244155 
1 1 1 17 5  2  o 419.4126 3.324312 1760.503       27.88466      1743.500       39.12779      1776.797       39.74414      417.4298 4.686751 421.3954 4.715777 -3.965668      6.648623 
1 1 1 17 5  3  o 309.9962 2.667601 961.3691       16.53526      969.1620       23.47809      953.5761       23.30098      311.2527 3.771549 308.7397 3.773564 2.512970       5.335201 
1 1 1 17 5  4  o 447.5390 3.636276 2004.919       32.62420      1969.496       39.16322      2039.633       52.18456      443.6680 4.413572 451.4100 5.780173 -7.741974      7.272552 
1 1 1 17 5  5  o 363.3758 3.088860 1321.263       22.39416      1347.475       27.99093      1295.050       34.96918      367.0041 3.813436 359.7475 4.860240 7.256561       6.177720 
1 1 1 17 5  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 5  7  o 269.9506 2.590200 728.9969       13.99192      726.1631       17.03118      731.8307       22.20288      269.4383 3.160498 270.4630 4.104607 -1.024689      5.180400 
1 1 1 17 5  8  o 336.6532 2.961288 1133.523       19.95000      1127.147       24.29281      1140.607       31.66071      335.6733 3.618520 337.6330 4.688628 -1.959656      5.922577 
1 1 1 17 5  9  o 343.9817 3.025765 1183.823       20.83557      1174.613       25.25630      1193.033       33.14846      342.6650 3.685277 345.2983 4.799974 -2.633301      6.051530 
1 1 1 17 5  10 o 435.7712 3.595971 1900.068       31.34899      1895.109       38.24931      1905.735       49.68372      435.2042 4.394410 436.3383 5.693258 -1.134064      7.191942 
1 1 1 17 5  11 o 445.4533 3.648249 1986.499       32.53919      1969.496       39.46785      2002.793       51.73824      443.6388 4.448197 447.2679 5.783808 -3.629150      7.296499 
1 1 1 17 5  12 o 165.3735 2.388969 273.6749       7.885069      282.5306       10.47800      264.8193       11.78155      168.0552 3.117429 162.6918 3.620820 5.363358       4.777939 
1 1 1 17 5  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 5  14 o 54.69229 3.997996 29.98876       4.303136      32.07161       4.664447      27.91300       7.233293      56.60946 4.119848 52.77513 6.852937 3.834328       7.995993 
1 1 1 17 5  15 o 200.6568 2.355004 403.0382       9.486169      385.4686       11.94450      420.6078       14.74288      196.2899 3.042565 205.0237 3.595410 -8.733719      4.710008 
1 1 1 17 5  16 f 112.9075 2.252728 127.5922       5.109354      123.1289       6.157863      132.0554       8.154280      110.9398 2.775318 114.8752 3.549190 -3.935463      4.505456 
1 1 1 17 5  17 o 238.9011 2.678718 571.4372       12.80172      584.1185       18.34890      558.7559       17.85299      241.5516 3.798133 236.2506 3.778399 5.300949       5.357436 
1 1 1 17 5  18 o 204.7039 2.590360 419.5451       10.61261      417.7032       11.30689      421.4579       17.96634      204.3026 2.767191 205.1052 4.379785 -0.8025970     5.180721 
1 1 1 17 5  19 f 24.17563 5.756534 5.444452       3.358061      5.443744       3.927657      5.444452       5.447286      23.47444 7.456517 24.87683 8.772177 -1.402386      11.51307 
1 1 1 17 5  20 o 160.0952 2.185701 256.6012       6.986751      259.7893       8.494337      253.4132       11.09435      161.1142 2.636124 159.0762 3.487120 2.037979       4.371402 
1 1 1 17 5  21 f 28.26994 5.617379 8.409323       3.402694      5.394860       4.107604      11.42733       5.426032      23.52976 7.640743 33.01012 8.236433 -9.480368      11.23476 
1 1 1 17 5  22 o 84.87787 2.520628 72.40377       4.215288      80.12590       5.334641      64.64622       6.528384      89.45302 2.981812 80.30273 4.064858 9.150291       5.041257 
1 1 1 17 5  23 o 142.8594 2.157923 204.4592       6.156446      206.6554       7.587519      202.2630       9.698705      143.6588 2.640813 142.0600 3.413595 1.598770       4.315845 
1 1 1 17 5  24 o 88.39520 2.407182 78.49645       4.212454      84.58914       5.327558      72.33293       6.526966      91.88442 2.899054 84.90598 3.843643 6.978439       4.814364 
1 1 1 17 5  25 o 152.7518 2.170857 233.8599       6.636776      232.4430       8.019674      235.2768       10.57718      152.3346 2.632257 153.1691 3.452782 -0.8344574     4.341713 
1 1 1 17 5  26 o 87.28632 2.447419 76.58364       4.269839      82.39294       6.157863      70.73891       5.916281      90.61810 3.397701 83.95454 3.523503 6.663559       4.894838 
1 1 1 17 5  27 o 155.6984 2.301918 243.1406       7.169532      242.5739       9.450747      243.7783       10.78264      155.5368 3.038106 155.8600 3.459078 -0.3231201     4.603837 
1 1 1 17 5  28 o 84.85886 2.501101 72.33293       4.245043      72.47462       6.006254      72.19124       5.999878      84.94215 3.535497 84.77557 3.538683 0.1665726      5.002202 
1 1 1 17 5  29 o 137.5979 2.211501 190.0776       6.083476      187.0313       8.692703      193.0531       8.515590      136.4986 3.184174 138.6972 3.069849 -2.198654      4.423001 
1 1 1 17 5  30 o 93.60700 2.577570 88.13139       4.823848      92.02789       6.879775      84.23491       6.763589      95.68407 3.595047 91.52994 3.694741 4.154129       5.155141 
1 1 1 17 5  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 5  32 o 127.3940 2.340552 163.2981       5.966581      167.9739       8.600604      158.6224       8.267632      129.2141 3.328044 125.5739 3.291938 3.640198       4.681104 
1 1 1 17 5  33 o 95.01762 2.535820 91.10690       4.825265      97.19958       7.134109      85.08506       6.500753      98.16801 3.633622 91.86723 3.538124 6.300781       5.071640 
1 1 1 17 5  34 o 66.51789 3.112526 44.94418       4.145151      47.45919       6.091268      42.42209       5.623690      68.37149 4.454538 64.66429 4.348374 3.707199       6.225051 
1 1 1 17 5  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 5  36 o 61.87343 3.316340 39.24823       4.105478      39.69455       5.995627      38.80899       5.608813      62.17917 4.821251 61.56769 4.554997 0.6114807      6.632681 
1 1 1 17 5  37 o 69.92454 3.050463 50.71098       4.254253      60.27508       6.353395      41.15396       5.659113      76.64818 4.144519 63.20090 4.477083 13.44728       6.100927 
1 1 1 17 5  38 o 62.49566 4.432552 42.44335       5.534425      42.01119       6.823099      42.88259       8.713958      62.79738 5.432630 62.19394 7.005471 0.6034393      8.865105 
1 1 1 17 5  39 o 120.9608 2.658473 150.7585       6.435576      147.8539       8.600604      153.6632       9.578268      119.9567 3.584878 121.9650 3.926647 -2.008247      5.316946 
1 1 1 17 5  40 o 41.76228 4.887667 19.96417       3.990001      16.46442       5.292135      23.45684       5.972957      37.59049 7.299694 45.93407 6.501662 -8.343582      9.775333 
1 1 1 17 5  41 o 88.81700 3.293546 85.01421       5.771049      90.25676       7.051930      79.70082       9.139028      92.63745 3.806198 84.99655 5.376117 7.640900       6.587092 
1 1 1 17 5  42 o 64.73991 3.882653 47.72839       4.908154      52.11371       6.028925      43.34308       7.750463      69.19418 4.356525 60.28565 6.428115 8.908531       7.765306 
1 1 1 17 6  0  o 177.0569 3.510186 313.9150       12.41916      313.9150       12.41916      313.9150       12.41916      177.0569 3.510186 177.0569 3.510186 0.000000       0.000000 
1 1 1 17 6  1  o 157.3308 2.177692 247.6039       6.864190      244.8410       8.225125      250.3669       10.98809      156.4587 2.628529 158.2030 3.472781 -1.744247      4.355385 
1 1 1 17 6  2  f 312.4373 2.788069 976.2466       17.42792      975.5381       21.31023      977.6635       27.57294      312.2845 3.411989 312.5900 4.410401 -0.3054504     5.576137 
1 1 1 17 6  3  o 142.1340 2.207751 202.0504       6.265547      204.8134       7.665448      199.3583       9.911241      143.0984 2.678383 141.1696 3.510402 1.928848       4.415502 
1 1 1 17 6  4  o 481.0964 3.876680 2316.637       37.37791      2281.215       44.96543      2352.060       59.71540      477.4715 4.708704 484.7214 6.159766 -7.249878      7.753361 
1 1 1 17 6  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 6  6  o 229.7679 2.543151 528.5050       11.73905      499.8128       14.74288      557.1973       18.27806      223.5326 3.297703 236.0032 3.872417 -12.47061      5.086301 
1 1 1 17 6  7  o 619.5360 4.843419 3842.643       60.09089      3806.512       72.75800      3879.482       95.64099      616.6920 5.899055 622.3801 7.683488 -5.688110      9.686838 
1 1 1 17 6  8  o 495.0382 3.987570 2452.660       39.47493      2454.077       48.41560      2451.243       62.36501      495.2322 4.888172 494.8443 6.301478 0.3879089      7.975140 
1 1 1 17 6  9  o 326.2609 2.936046 1064.803       19.09986      1092.433       23.95984      1037.882       29.75498      330.4579 3.625248 322.0640 4.619420 8.393951       5.872092 
1 1 1 17 6  10 o 188.7368 2.378957 356.3513       8.983169      354.3676       10.97392      358.3349       14.23280      188.2202 2.915180 189.2534 3.760249 -1.033112      4.757915 
1 1 1 17 6  11 o 69.50590 3.306868 48.65647       4.471748      56.42110       5.557804      40.89892       7.007296      75.09499 3.700516 63.91681 5.481576 11.17818       6.613735 
1 1 1 17 6  12 o 87.28825 2.862079 76.22942       4.981833      78.85069       6.472415      73.67899       7.573349      88.77396 3.645447 85.80255 4.413243 2.971413       5.724159 
1 1 1 17 6  13 o 217.2653 2.340974 472.2540       10.15920      477.4256       12.49709      467.1531       16.01810      218.4604 2.860265 216.0703 3.706687 2.390137       4.681948 
1 1 1 17 6  14 o 115.0405 2.274287 132.4096       5.227666      133.4723       6.417156      131.3470       8.253463      115.5092 2.777768 114.5717 3.601877 0.9375305      4.548573 
1 1 1 17 6  15 o 181.6491 2.294756 330.1385       8.352647      323.3374       10.84640      337.0105       12.69546      179.7748 3.016662 183.5234 3.458811 -3.748581      4.589512 
1 1 1 17 6  16 o 362.6380 3.238546 1317.012       23.53477      1283.006       30.05961      1351.018       36.23022      357.9934 4.198347 367.2825 4.932201 -9.289093      6.477092 
1 1 1 17 6  17 f 28.76443 5.829184 8.331393       3.628690      10.06001       4.609187      6.601354       5.604562      31.02144 7.500687 26.50743 8.925091 4.514006       11.65837 
1 1 1 17 6  18 o 125.8464 2.228810 158.6224       5.645652      150.9711       6.644569      166.2736       9.131943      122.8258 2.704876 128.8670 3.543166 -6.041222      4.457620 
1 1 1 17 6  19 o 311.9758 3.187594 975.5381       19.79414      996.7917       21.65737      954.2846       33.14137      315.5187 3.432026 308.4328 5.372544 7.085907       6.375189 
1 1 1 17 6  20 o 182.7322 2.230764 334.3184       8.147196      336.0187       9.840395      332.6181       12.98592      183.2274 2.685295 182.2369 3.562922 0.9904938      4.461527 
1 1 1 17 6  21 o 155.4331 2.227046 241.9363       6.910239      245.9036       8.841478      237.9690       10.62678      156.7284 2.820638 154.1379 3.447165 2.590439       4.454093 
1 1 1 17 6  22 o 114.3898 2.230788 131.0636       5.107938      130.0717       6.210997      132.0554       8.111773      113.9804 2.724589 114.7993 3.533025 -0.8188400     4.461575 
1 1 1 17 6  23 o 106.7560 2.251835 114.2733       4.786300      118.1698       5.878733      110.3059       7.552096      108.6245 2.705989 104.8875 3.600093 3.736969       4.503670 
1 1 1 17 6  24 o 46.09455 3.762706 21.42358       3.419697      23.23722       4.143026      19.60995       5.441618      48.10117 4.306574 44.08793 6.171324 4.013241       7.525412 
1 1 1 17 6  25 o 166.4250 2.187167 277.6422       7.268716      280.7594       8.848563      274.5251       11.53359      167.4129 2.642737 165.4372 3.485792 1.975662       4.374335 
1 1 1 17 6  26 o 105.5888 2.307793 111.8645       4.852895      114.9817       5.901403      108.7474       7.707955      107.1083 2.754877 104.0693 3.703282 3.039055       4.615587 
1 1 1 17 6  27 o 78.24370 2.851722 61.68490       4.420739      68.03971       5.926199      55.33009       6.562388      82.32394 3.599317 74.16345 4.424274 8.160484       5.703444 
1 1 1 17 6  28 o 88.01631 2.677680 77.85885       4.726081      74.31659       6.129525      81.47195       7.197870      86.01881 3.562898 90.01381 3.998204 -3.994995      5.355359 
1 1 1 17 6  29 o 201.2362 2.279549 406.6513       9.174451      414.0192       13.22680      399.2834       12.72379      203.0509 3.257015 199.4215 3.190176 3.629395       4.559097 
1 1 1 17 6  30 o 95.69432 2.601487 92.09874       4.978999      92.87803       7.071766      91.31944       7.010839      96.09914 3.679412 95.28951 3.678705 0.8096313      5.202974 
1 1 1 17 6  31 o 80.87360 3.165099 66.16940       5.120689      67.81301       7.367898      64.52578       7.112856      81.87333 4.499572 79.87386 4.452556 1.999474       6.330197 
1 1 1 17 6  32 o 118.9917 2.407435 142.6822       5.722874      133.7557       8.033843      151.5378       8.154280      115.2615 3.485052 122.7220 3.322257 -7.460533      4.814871 
1 1 1 17 6  33 o 81.69208 2.760509 67.43044       4.507170      65.96394       6.520590      68.89693       6.223749      80.77495 4.036270 82.60920 3.766983 -1.834251      5.521018 
1 1 1 17 6  34 f 108.9933 2.439221 120.0117       5.311971      115.7610       7.651280      124.1916       7.367898      107.0398 3.574034 110.9468 3.320463 -3.907028      4.878442 
1 1 1 17 6  35 o 88.51768 2.845110 79.62997       5.037092      78.77983       6.969748      80.40928       7.275800      88.08754 3.956149 88.94784 4.089925 -0.8602982     5.690220 
1 1 1 17 6  36 f 63.20974 3.577288 41.98285       4.437033      29.95334       5.960205      54.01236       6.575140      53.78240 5.541037 72.63708 4.526022 -18.85468      7.154576 
1 1 1 17 6  37 o 20.49926 6.253335 1.175321       4.716872      -1.756961      5.343852      4.106895       7.771716      16.73506 7.547288 24.26346 9.972726 -7.528402      12.50667 
1 1 1 17 6  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 6  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 6  40 o 46.36216 5.165875 24.96584       4.507879      28.67104       5.699495      21.26772       6.986042      51.33765 5.550989 41.38667 8.713874 9.950985       10.33175 
1 1 1 17 6  41 o 24.57415 6.115016 7.000920       4.223081      10.78972       5.124940      3.209286       6.712580      28.62869 8.405322 20.51962 8.883933 8.109072       12.23003 
1 1 1 17 6  42 o 45.43309 4.144472 24.25739       3.747001      27.65796       5.437367      20.86390       5.157529      48.96859 5.551893 41.89759 6.154922 7.070992       8.288943 
1 1 1 17 7  0  o 709.7250 7.493411 5042.760       106.3386      5042.760       106.3386      5042.760       106.3386      709.7250 7.493411 709.7250 7.493411 0.000000       0.000000 
1 1 1 17 7  1  o 335.2774 2.855999 1124.313       19.14945      1138.482       27.36041      1110.852       26.80782      337.3361 4.055364 333.2188 4.022555 4.117249       5.711998 
1 1 1 17 7  2  o 114.2272 6.626972 0.000000       0.000000      ?              ?             130.6385       15.13961      ?        ?        114.2272 6.626972 ?              ?        
1 1 1 17 7  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 7  4  o 342.2859 2.912453 1171.779       19.93583      1168.946       28.11845      1175.322       28.27431      341.8207 4.113041 342.7512 4.124612 -0.9305115     5.824906 
1 1 1 17 7  5  o 504.7019 3.924565 2549.010       39.61662      2575.222       56.57696      2523.505       55.47178      507.2596 5.576726 502.1442 5.523491 5.115417       7.849129 
1 1 1 17 7  6  o 57.70772 3.921024 33.72939       4.589351      26.41817       5.476333      41.04061       7.367898      51.37980 5.329266 64.03563 5.752968 -12.65583      7.842048 
1 1 1 17 7  7  o 352.3198 3.086476 1241.916       21.74238      1246.875       26.70863      1236.957       34.30323      353.0451 3.782609 351.5945 4.878238 1.450592       6.172952 
1 1 1 17 7  8  o 531.3320 4.242443 2826.014       45.07879      2827.431       55.21673      2824.597       71.27025      531.5330 5.194103 531.1310 6.709291 0.4019775      8.484886 
1 1 1 17 7  9  o 90.13820 2.950889 81.25941       5.317639      81.61364       6.396611      80.97604       8.494337      90.32202 3.541003 89.95437 4.721470 0.3676529      5.901778 
1 1 1 17 7  10 o 415.5435 3.458466 1728.622       28.72772      1737.124       35.35883      1719.412       45.27715      416.6525 4.243204 414.4344 5.462523 2.218109       6.916932 
1 1 1 17 7  11 o 204.3588 2.349702 417.8448       9.599521      419.8285       11.71779      415.7903       15.20337      204.8642 2.859894 203.8535 3.728996 1.010651       4.699404 
1 1 1 17 7  12 o 278.9113 3.136478 778.5886       17.47751      782.8392       20.07044      774.3378       28.62145      279.7141 3.587671 278.1085 5.145734 1.605530       6.272955 
1 1 1 17 7  13 o 72.84987 3.063809 53.14805       4.485208      50.61179       5.551428      55.68431       7.046261      71.11668 3.903042 74.58307 4.723767 -3.466393      6.127619 
1 1 1 17 7  14 o 121.2638 2.560724 147.4288       6.090560      160.4643       6.784134      134.3933       10.11669      126.6527 2.678244 115.8750 4.365346 10.77764       5.121449 
1 1 1 17 7  15 o 101.1031 2.508482 102.3004       5.090226      97.97889       6.503587      106.6928       7.828392      98.95486 3.286139 103.2514 3.790939 -4.296509      5.016964 
1 1 1 17 7  16 o 131.6532 2.480308 173.4998       6.531926      170.2410       9.238212      176.7587       9.231127      130.4155 3.541838 132.8909 3.473196 -2.475433      4.960616 
1 1 1 17 7  17 o 179.4245 2.225146 322.2039       7.977167      324.9668       9.769550      319.5117       12.61044      180.2056 2.710668 178.6434 3.529501 1.562195       4.450292 
1 1 1 17 7  18 o 263.5597 2.548493 695.5579       13.45350      686.7731       16.20229      704.4136       21.48734      261.9349 3.092808 265.1845 4.051394 -3.249573      5.096985 
1 1 1 17 7  19 o 91.75186 2.833472 84.37660       5.127774      89.47746       5.554970      79.34660       8.621859      94.54603 2.937707 88.95770 4.846044 5.588326       5.666945 
1 1 1 17 7  20 o 80.98019 2.625342 65.94269       4.315888      57.97969       4.983958      73.89152       7.048388      76.09238 3.274939 85.86800 4.104199 -9.775612      5.250683 
1 1 1 17 7  21 o 151.6603 2.179736 230.4594       6.564514      243.2115       8.210957      217.7781       10.24421      155.8750 2.633828 147.4456 3.473894 8.429306       4.359471 
1 1 1 17 7  22 o 146.8860 2.159181 216.0778       6.344185      215.5819       7.807138      216.6445       10.00334      146.7347 2.660290 147.0373 3.401634 -0.3025360     4.318362 
1 1 1 17 7  23 o 145.4070 2.181599 211.9688       6.308763      221.2495       7.870899      202.6881       9.861650      148.6313 2.647794 142.1827 3.467950 6.448608       4.363197 
1 1 1 17 7  24 f 150.6697 2.175878 227.4839       6.552470      228.2632       7.948828      226.7754       10.42133      150.9609 2.632745 150.3786 3.465030 0.5823059      4.351757 
1 1 1 17 7  25 o 86.28191 2.542570 74.74166       4.358396      78.14223       5.319056      71.34109       6.905280      88.29033 3.012253 84.27348 4.096947 4.016853       5.085139 
1 1 1 17 7  26 o 162.6205 2.204000 265.2444       7.183701      260.2852       8.657280      270.2035       11.46984      161.1606 2.685918 164.0805 3.495185 -2.919952      4.408001 
1 1 1 17 7  27 o 139.1013 2.187512 194.1158       6.075682      196.3828       7.488335      191.8487       9.571183      139.9695 2.674989 138.2330 3.461974 1.736450       4.375023 
1 1 1 17 7  28 o 66.08353 2.929438 44.00194       3.907111      40.26840       4.694910      47.74257       6.247128      63.31033 3.707855 68.85673 4.536324 -5.546398      5.858875 
1 1 1 17 7  29 o 207.5481 2.493695 433.0766       10.32923      450.4336       14.10528      415.6487       15.09711      211.7724 3.330290 203.3238 3.712578 8.448654       4.987391 
1 1 1 17 7  30 o 55.79534 4.003507 31.68196       4.441284      28.35932       6.369689      35.00460       6.191869      52.80611 6.031205 58.78457 5.266576 -5.978455      8.007013 
1 1 1 17 7  31 o 70.01703 3.328411 49.90334       4.650986      57.28542       6.850020      42.51419       6.293886      75.25489 4.551213 64.77916 4.857955 10.47573       6.656822 
1 1 1 17 7  32 o 64.14454 3.256579 41.88367       4.172073      48.11096       6.171323      35.66346       5.615897      68.95849 4.474666 59.33059 4.732716 9.627895       6.513159 
1 1 1 17 7  33 o 47.16135 4.432479 22.95384       4.183408      19.87207       5.580475      26.04269       6.233667      43.96200 6.346931 50.36071 6.189019 -6.398716      8.864958 
1 1 1 17 7  34 o 46.98746 5.600169 23.60561       5.143360      23.83232       7.736294      23.37891       6.777050      46.68975 8.607780 47.28517 7.166147 -0.5954170     11.20034 
1 1 1 17 7  35 o 54.03723 5.654532 30.09503       6.111105      30.09503       6.111105      ?              ?             54.03723 5.654532 ?        ?        ?              ?        
1 1 1 17 7  36 o 36.99266 6.195073 15.98976       4.687826      9.500339       5.400528      22.47918       7.665448      29.21265 8.644812 44.77268 8.875977 -15.56003      12.39015 
1 1 1 17 7  37 o 78.87851 3.714815 64.85876       5.778132      69.05988       6.825224      60.66473       9.323226      82.02673 4.160366 75.73028 6.155547 6.296455       7.429630 
1 1 1 17 7  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 7  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 7  40 f 81.83617 2.996653 70.62556       4.867773      70.10130       8.267632      71.12856       5.145485      80.54385 5.132380 83.12850 3.094898 -2.584656      5.993306 
1 1 1 17 7  41 o 21.19144 5.835227 5.257421       3.725748      5.950287       6.419281      4.563846       3.783841      22.46433 9.119845 19.91855 7.282030 2.545776       11.67045 
1 1 1 17 8  0  o 407.7130 4.686892 1663.445       38.20681      1663.445       38.20681      1663.445       38.20681      407.7130 4.686892 407.7130 4.686892 0.000000       0.000000 
1 1 1 17 8  1  o 558.3616 4.281785 3120.730       47.81341      3133.482       67.86259      3107.978       67.38085      559.5015 6.064559 557.2216 6.046145 2.279968       8.563571 
1 1 1 17 8  2  o 205.8055 2.327516 423.7959       9.585353      435.4145       13.77939      412.1064       13.31889      208.6359 3.302258 202.9752 3.280916 5.660629       4.655031 
1 1 1 17 8  3  o 227.4179 2.387251 517.3115       10.86057      520.3578       15.45133      514.3360       15.26005      228.0794 3.387270 226.7563 3.364857 1.323120       4.774501 
1 1 1 17 8  4  o 110.6069 2.563947 122.4913       5.666197      130.9927       8.104689      114.0607       7.920490      114.4335 3.541221 106.7803 3.708780 7.653275       5.127893 
1 1 1 17 8  5  o 398.6492 3.268756 1590.474       26.06394      1603.935       37.19372      1576.305       36.52069      400.3799 4.644804 396.9185 4.600527 3.461395       6.537511 
1 1 1 17 8  6  o 505.4373 3.946905 2556.802       39.90000      2560.345       56.55571      2553.260       56.29358      505.7867 5.590865 505.0879 5.572652 0.6988831      7.893809 
1 1 1 17 8  7  o 331.6631 2.906045 1100.934       19.27697      1088.182       27.09828      1112.978       27.42417      329.7950 4.108352 333.5312 4.111185 -3.736176      5.812091 
1 1 1 17 8  8  o 378.3388 3.408296 1432.490       25.79473      1431.781       33.75773      1433.198       39.00027      378.2658 4.462171 378.4118 5.153152 -0.1460571     6.816593 
1 1 1 17 8  9  o 144.0367 2.324266 207.5764       6.695578      212.5355       9.542846      202.6172       9.394071      145.7578 3.273529 142.3157 3.300435 3.442108       4.648533 
1 1 1 17 8  10 o 349.4042 2.959172 1222.079       20.67971      1238.374       29.52827      1205.076       28.96151      351.7843 4.196929 347.0240 4.172839 4.760223       5.918344 
1 1 1 17 8  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 8  12 o 146.2139 2.174839 214.0233       6.360480      223.6582       9.181536      204.3175       8.806056      149.5194 3.070348 142.9083 3.081017 6.611176       4.349679 
1 1 1 17 8  13 o 392.0496 3.769925 1538.757       29.58495      1532.381       31.36316      1545.842       50.17255      391.3073 4.007485 392.7920 6.386658 -1.484650      7.539850 
1 1 1 17 8  14 o 189.9480 2.237776 360.9562       8.494337      362.9398       10.38590      359.0434       13.44641      190.4732 2.726342 189.4228 3.549314 1.050476       4.475552 
1 1 1 17 8  15 o 295.2303 2.703226 872.1042       15.94725      880.6056       19.61703      864.3112       25.13587      296.6442 3.306492 293.8163 4.277480 2.827850       5.406452 
1 1 1 17 8  16 o 233.0261 2.387442 543.5242       11.12978      543.9493       13.61644      543.1700       17.59794      233.1392 2.920239 232.9129 3.777794 0.2262573      4.774885 
1 1 1 17 8  17 o 229.7624 2.766237 528.7175       12.66003      538.8484       13.63061      518.6575       21.33148      232.0319 2.937228 227.4929 4.688385 4.539032       5.532474 
1 1 1 17 8  18 o 256.8906 2.805334 661.1981       14.41699      641.2905       19.82248      681.1055       20.94892      253.0280 3.917053 260.7533 4.017000 -7.725296      5.610668 
1 1 1 17 8  19 f 113.9279 2.308625 129.9301       5.253878      131.2053       6.277591      128.7257       8.423491      114.4929 2.741477 113.3628 3.715279 1.130035       4.617249 
1 1 1 17 8  20 o 174.8369 2.216469 306.1220       7.757547      303.6424       9.358648      308.5307       12.37665      174.1693 2.686653 175.5045 3.526022 -1.335190      4.432937 
1 1 1 17 8  21 o 190.8868 2.236400 364.9944       8.522675      369.7410       10.44966      360.1769       13.46767      192.1761 2.718773 189.5974 3.551649 2.578674       4.472799 
1 1 1 17 8  22 o 98.10617 2.440373 96.49113       4.775673      99.18325       6.153612      93.79901       7.304138      99.49755 3.092344 96.71478 3.776123 2.782768       4.880747 
1 1 1 17 8  23 o 101.7428 2.342964 103.7882       4.779924      101.5920       5.778841      105.9844       7.615856      100.6981 2.869391 102.7875 3.704662 -2.089432      4.685928 
1 1 1 17 8  24 o 175.0347 2.238950 307.1139       7.828392      310.3727       9.592437      303.8550       12.36957      176.0177 2.724850 174.0517 3.553419 1.966064       4.477900 
1 1 1 17 8  25 o 137.6489 2.204681 190.0068       6.070015      189.7234       7.311223      190.2902       9.691620      137.5993 2.656708 137.6986 3.519144 -0.9925842E-01 4.409362 
1 1 1 17 8  26 o 213.1976 2.359622 456.1721       10.10961      439.8069       11.94450      472.5373       16.31564      209.4659 2.851180 216.9293 3.760591 -7.463409      4.719245 
1 1 1 17 8  27 o 81.47212 2.871072 66.96286       4.653111      74.31659       6.534760      59.62330       6.626149      85.98413 3.799980 76.96012 4.304924 9.024010       5.742144 
1 1 1 17 8  28 o 122.2615 2.301909 150.0501       5.649195      145.7994       6.767839      154.3716       9.046929      120.5754 2.806476 123.9476 3.649498 -3.372154      4.603818 
1 1 1 17 8  29 o 121.2067 2.412242 147.5705       5.822765      151.6087       7.056888      143.6032       9.266549      122.9309 2.870266 119.4825 3.877785 3.448402       4.824484 
1 1 1 17 8  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 8  31 o 82.29767 2.862906 68.37976       4.715455      72.61631       6.893944      64.17865       6.435576      84.83562 4.063119 79.75973 4.034352 5.075890       5.725813 
1 1 1 17 8  32 o 97.68196 2.985592 96.49113       5.780967      91.74451       9.273635      101.3086       6.910948      95.08182 4.876660 100.2821 3.445754 -5.200279      5.971184 
1 1 1 17 8  33 o 75.88144 3.393672 58.58896       5.186575      61.39443       8.551013      55.78349       5.872357      77.49749 5.516962 74.26540 3.953629 3.232094       6.787345 
1 1 1 17 8  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 8  35 o 56.19295 4.490499 33.11303       4.832349      27.06994       7.750463      39.16322       5.776008      50.50332 7.673220 61.88258 4.666909 -11.37925      8.980999 
1 1 1 17 8  36 o 83.39381 3.299460 71.55363       5.507504      72.47462       8.905238      70.55471       6.482334      83.60661 5.325679 83.18103 3.896522 0.4255753      6.598919 
1 1 1 17 8  37 o 34.80884 6.359669 14.70746       4.774257      22.44375       7.906322      6.964081       5.352353      44.10614 9.257913 25.51155 8.721961 18.59459       12.71934 
1 1 1 17 8  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 8  39 o 54.65207 4.537271 33.06344       4.929408      34.26073       8.735210      31.86616       4.570931      54.08278 8.075778 55.22136 4.138734 -1.138580      9.074542 
1 1 1 17 8  40 o 42.41173 5.210478 23.53477       4.768589      36.92451       8.664365      10.15211       3.987167      55.60904 7.790428 29.21441 6.921385 26.39463       10.42096 
1 1 1 17 8  41 o 49.66139 5.311004 30.09503       4.570222      23.63395       8.005506      36.55611       4.405153      40.52399 9.939561 58.79878 3.745956 -18.27479      10.62201 
1 1 1 17 9  0  o 397.9606 4.630832 1584.807       36.84658      1584.807       36.84658      1584.807       36.84658      397.9606 4.630832 397.9606 4.630832 0.000000       0.000000 
1 1 1 17 9  1  o 602.5796 4.588957 3635.066       55.31592      3596.810       77.43378      3673.323       78.99238      599.4117 6.459147 605.7475 6.520239 -6.335754      9.177914 
1 1 1 17 9  2  o 117.6570 2.570383 138.5023       6.047344      144.2408       8.621859      132.8347       8.480167      120.0803 3.590039 115.2338 3.679550 4.846512       5.140766 
1 1 1 17 9  3  o 354.4764 3.028161 1257.502       21.46609      1250.417       30.26506      1263.878       30.45634      353.5276 4.280437 355.4252 4.284494 -1.897583      6.056322 
1 1 1 17 9  4  o 440.6371 3.546494 1942.575       31.25689      1944.700       44.22865      1941.158       44.17197      440.8380 5.016429 440.4364 5.014569 0.4015808      7.092987 
1 1 1 17 9  5  o 149.4471 2.688988 223.4457       8.040927      226.2795       12.22788      220.6119       10.45675      150.3904 4.065378 148.5038 3.520700 1.886597       5.377976 
1 1 1 17 9  6  o 22.54369 6.395222 1.683281       4.548261      -1.511128      6.461080      4.876983       6.402987      19.72483 8.628235 25.36256 9.441875 -5.637732      12.79044 
1 1 1 17 9  7  o 236.7206 2.459072 560.5979       11.63986      559.8186       16.52818      561.3772       16.40066      236.5556 3.493508 236.8856 3.461726 -0.3299713     4.918144 
1 1 1 17 9  8  o 489.7170 3.839265 2400.943       37.60462      2433.532       53.82816      2368.354       52.53170      493.0378 5.458827 486.3961 5.400095 6.641632       7.678530 
1 1 1 17 9  9  o 271.8236 2.564426 738.9152       13.94233      735.3730       19.63828      743.1660       19.79414      271.1075 3.621863 272.5398 3.631423 -1.432312      5.128852 
1 1 1 17 9  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 9  11 o 240.1577 2.399380 577.1049       11.52651      573.4917       16.30856      580.6470       16.28731      239.4128 3.405950 240.9027 3.380475 -1.489883      4.798761 
1 1 1 17 9  12 o 104.9936 2.382768 110.3059       5.003795      108.1806       7.038468      112.4313       7.112856      103.9818 3.384473 106.0054 3.354949 -2.023674      4.765537 
1 1 1 17 9  13 o 142.0986 2.161953 202.0504       6.145111      202.0504       8.657280      201.9796       8.721042      142.1113 3.045950 142.0859 3.068933 0.2543640E-01  4.323906 
1 1 1 17 9  14 o 78.38464 2.956360 61.51487       4.640359      62.59880       7.091603      60.42385       5.988543      79.07137 4.484304 77.69792 3.853734 1.373451       5.912720 
1 1 1 17 9  15 o 177.8810 2.728095 316.8196       9.734127      321.4246       16.18812      312.2147       10.80389      179.1335 4.518451 176.6284 3.058368 2.505173       5.456191 
1 1 1 17 9  16 o 346.8308 3.030778 1205.076       21.04102      1214.995       33.53102      1195.158       25.44050      348.1775 4.815220 345.4841 3.681863 2.693359       6.061555 
1 1 1 17 9  17 o 248.0384 2.627943 616.2114       13.05677      628.3967       19.95709      603.9551       16.83990      250.4719 3.983898 245.6050 3.428249 4.866882       5.255885 
1 1 1 17 9  18 o 390.4472 3.788565 1529.547       29.61329      1538.757       50.15838      1520.338       31.49777      391.3457 6.408450 389.5486 4.042854 1.797089       7.577130 
1 1 1 17 9  19 o 79.58672 2.773003 63.54104       4.450494      67.90510       7.148279      59.17698       5.303470      82.30535 4.342535 76.86810 3.449721 5.437256       5.546007 
1 1 1 17 9  20 o 90.99436 3.170085 83.31393       5.584017      73.04137       9.464915      93.65733       5.930449      85.27691 5.549519 96.71181 3.066042 -11.43491      6.340171 
1 1 1 17 9  21 o 120.4190 2.528631 146.2244       6.267673      168.8949       10.74721      123.5540       6.449036      129.7650 4.141029 111.0730 2.903063 18.69205       5.057262 
1 1 1 17 9  22 o 138.2507 2.491369 191.8487       6.979667      205.3802       11.76030      178.3882       7.516674      143.0526 4.110483 133.4488 2.816313 9.603729       4.982739 
1 1 1 17 9  23 o 88.35487 2.675416 78.35477       4.702703      75.37926       7.410406      81.33026       5.793010      86.63561 4.276766 90.07413 3.215690 -3.438522      5.350831 
1 1 1 17 9  24 o 194.4997 2.346429 379.3759       9.124859      379.5885       14.50201      379.1634       11.08727      194.4819 3.728370 194.5175 2.849942 -0.3561401E-01 4.692858 
1 1 1 17 9  25 o 87.23515 2.656455 76.44194       4.613438      73.82067       7.254546      79.06322       5.700912      85.68960 4.233038 88.78072 3.210670 -3.091118      5.312910 
1 1 1 17 9  26 o 30.94654 5.729047 10.08835       3.627982      9.982086       5.707288      10.19462       4.480958      30.83213 8.811928 31.06096 7.323787 -0.2288284     11.45809 
1 1 1 17 9  27 o 117.7104 2.799797 139.8484       6.447619      121.6412       10.13795      158.1264       7.970083      109.8898 4.612776 125.5311 3.174546 -15.64121      5.599593 
1 1 1 17 9  28 o 171.7118 2.568480 296.3454       8.820225      295.7078       12.67420      297.0538       12.27038      171.5014 3.695072 171.9222 3.568586 -0.4208221     5.136961 
1 1 1 17 9  29 o 99.16766 2.993505 99.11240       5.935409      98.89986       8.657280      99.25409       8.125941      99.05493 4.369939 99.28039 4.092421 -0.2254562     5.987009 
1 1 1 17 9  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 9  31 o 38.93029 5.229576 16.29439       4.005587      10.93850       5.124940      21.65029       6.157863      31.89697 8.032574 45.96360 6.698629 -14.06663      10.45915 
1 1 1 17 9  32 o 84.41734 3.012208 72.12038       5.092351      72.82884       8.430575      71.41194       5.708704      84.64852 4.979754 84.18617 3.390524 0.4623489      6.024417 
1 1 1 17 9  33 o 139.4463 2.654883 196.7370       7.452912      207.2930       12.06493      186.1811       8.763549      142.9918 4.218750 135.9007 3.224248 7.091171       5.309767 
1 1 1 17 9  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 9  35 o 93.94624 3.635900 91.31944       6.544678      77.71716       10.99517      104.9217       7.098687      86.16891 6.380011 101.7236 3.489204 -15.55466      7.271801 
1 1 1 17 9  36 o 42.83704 6.187656 20.73638       5.169573      17.13745       8.784801      24.34240       5.455787      37.47475 11.00532 48.19933 5.659609 -10.72458      12.37531 
1 1 1 17 9  37 o 34.68388 7.136245 14.99793       5.447994      17.75380       9.372816      12.24205       5.553554      37.07318 11.47501 32.29459 8.486936 4.778595       14.27249 
1 1 1 17 9  38 o 83.01851 3.730078 73.18307       6.232251      77.15040       10.71179      69.26533       6.375357      84.16553 6.363526 81.87150 3.893515 2.294029       7.460156 
1 1 1 17 9  39 o 55.80807 4.560472 34.35283       4.974040      33.92776       8.869816      34.77081       4.501503      53.75800 8.249763 57.85814 3.890121 -4.100136      9.120945 
1 1 1 17 9  40 o 40.06991 5.851283 19.98542       4.648860      19.70913       8.345562      20.25464       4.102644      36.76188 10.70454 43.37794 4.728951 -6.616070      11.70257 
1 1 1 17 9  41 o 17.81550 5.182179 0.2660236      3.761171      -4.248586      6.583642      4.780632       3.639317      15.68418 7.497132 19.94682 7.156321 -4.262637      10.36436 
1 1 1 17 10 0  o 113.4774 4.050570 129.2924       9.167366      129.2924       9.167366      129.2924       9.167366      113.4774 4.050570 113.4774 4.050570 0.000000       0.000000 
1 1 1 17 10 1  o 475.9749 3.779932 2267.046       35.98935      2250.043       50.50553      2284.757       51.27065      474.1545 5.325851 477.7953 5.365337 -3.640808      7.559864 
1 1 1 17 10 2  o 123.1418 2.681083 151.7504       6.604896      146.3661       9.209873      157.1346       9.464915      120.9563 3.807107 125.3273 3.776078 -4.370987      5.362166 
1 1 1 17 10 3  o 243.9282 2.774040 595.3121       13.54560      603.0341       20.76472      587.5899       17.40666      245.5011 4.229049 242.3552 3.591146 3.145828       5.548079 
1 1 1 17 10 4  o 272.6094 2.637411 743.1660       14.38157      733.9561       20.16962      753.0842       20.50259      270.8562 3.723308 274.3625 3.736406 -3.506348      5.274822 
1 1 1 17 10 5  o 287.0936 2.684530 824.6379       15.41591      828.8886       21.87699      820.3871       21.72113      287.8334 3.800287 286.3539 3.792708 1.479584       5.369061 
1 1 1 17 10 6  o 173.4939 2.343915 301.0920       8.133026      298.3290       11.48400      303.9258       11.51943      172.6875 3.325082 174.3003 3.304477 -1.612747      4.687829 
1 1 1 17 10 7  o 262.0477 2.542495 687.0565       13.32598      673.9502       18.63228      700.2337       19.05735      259.5417 3.589459 264.5538 3.601792 -5.012115      5.084990 
1 1 1 17 10 8  o 451.2384 3.723368 2038.924       33.48852      1976.581       51.85158      2101.268       42.39376      444.2802 5.835461 458.1967 4.626153 -13.91656      7.446737 
1 1 1 17 10 9  o 178.3030 2.401663 318.0949       8.551013      313.7733       13.40391      322.4164       10.61969      177.0809 3.784686 179.5251 2.957717 -2.444275      4.803326 
1 1 1 17 10 10 o 125.4686 2.407158 157.5597       6.067182      163.2273       9.656199      151.8921       7.346645      127.7181 3.780278 123.2191 2.981131 4.499008       4.814316 
1 1 1 17 10 11 o 293.1992 2.727830 860.0605       15.94017      837.3900       24.87374      883.4393       19.95709      289.2505 4.299690 297.1478 3.358108 -7.897369      5.455659 
1 1 1 17 10 12 o 114.8358 2.422288 132.0554       5.591810      138.0773       8.869816      125.9627       6.812472      117.4644 3.775533 112.2073 3.035665 5.257156       4.844576 
1 1 1 17 10 13 o 217.8026 2.376217 474.7335       10.34340      471.9706       16.36524      477.4256       12.65295      217.1583 3.768042 218.4469 2.896115 -1.288605      4.752434 
1 1 1 17 10 14 o 234.6523 2.446038 551.1755       11.46275      546.1454       18.10803      556.1346       14.06985      233.5612 3.876506 235.7435 2.984144 -2.182297      4.892077 
1 1 1 17 10 15 o 119.1702 2.766636 142.2571       6.543260      137.6522       11.15103      146.8620       6.846478      117.1996 4.757284 121.1408 2.825835 -3.941238      5.533271 
1 1 1 17 10 16 o 273.1654 2.765049 747.4167       15.12545      760.8772       23.20888      733.9561       19.41158      275.5916 4.210739 270.7393 3.584921 4.852234       5.530097 
1 1 1 17 10 17 f 245.8965 2.499262 605.5846       12.25622      590.2820       19.12111      620.8871       15.33090      242.7480 3.938469 249.0450 3.077937 -6.296951      4.998524 
1 1 1 17 10 18 o 64.33588 3.193989 41.84825       4.157195      49.49244       6.594978      34.20405       5.062596      70.25528 4.693582 58.41648 4.333192 11.83880       6.387978 
1 1 1 17 10 19 o 253.2667 2.539154 642.5658       12.85840      642.1407       20.33965      642.9908       15.74180      253.1270 4.017677 253.4063 3.106039 -0.2792816     5.078308 
1 1 1 17 10 20 o 216.4162 2.507710 469.3493       10.83931      463.3275       16.39357      475.3003       14.19737      215.0023 3.812418 217.8301 3.258818 -2.827820      5.015419 
1 1 1 17 10 21 o 248.9418 2.938089 621.8790       14.57994      607.4974       23.38599      636.3314       17.39958      245.9247 4.754706 251.9588 3.452861 -6.034119      5.876178 
1 1 1 17 10 22 o 91.49738 2.610085 84.02238       4.762213      82.25125       7.495420      85.72267       5.880150      90.51511 4.140425 92.47965 3.179159 -1.964539      5.220169 
1 1 1 17 10 23 o 139.0244 2.646232 194.5409       7.183701      172.3663       11.73905      216.7154       8.281801      130.9751 4.481403 147.0736 2.815529 -16.09850      5.292464 
1 1 1 17 10 24 o 122.5944 2.496303 151.0419       6.091977      140.6277       8.997337      161.3853       8.210957      118.3417 3.801425 126.8472 3.236554 -8.505531      4.992606 
1 1 1 17 10 25 o 136.6348 2.459087 187.5272       6.691327      177.2546       9.989170      197.7289       8.905238      132.8611 3.759254 140.4085 3.171189 -7.547455      4.918173 
1 1 1 17 10 26 o 152.0913 2.407840 232.3013       7.325392      232.5847       11.15103      231.9471       9.500339      152.1466 3.664569 152.0360 3.124372 0.1105652      4.815679 
1 1 1 17 10 27 o 115.8307 2.555134 134.8892       5.885109      125.8210       8.763549      144.0283       7.863815      111.8730 3.916738 119.7884 3.282378 -7.915352      5.110268 
1 1 1 17 10 28 o 107.0787 2.598153 115.3360       5.515297      108.1806       8.636027      122.5622       6.864897      103.6582 4.165625 110.4992 3.106311 -6.840950      5.196307 
1 1 1 17 10 29 o 150.4353 2.841840 228.1215       8.522675      225.2168       14.28239      230.9553       9.301972      149.2445 4.784895 151.6260 3.067407 -2.381439      5.683679 
1 1 1 17 10 30 f 162.6272 2.807489 266.8029       9.174451      273.9583       15.63553      259.7184       9.613690      164.4932 4.752636 160.7611 2.990055 3.732117       5.614978 
1 1 1 17 10 31 o 78.38559 3.359267 62.28000       5.208537      59.50287       8.706873      65.05712       5.722874      76.41223 5.697303 80.35896 3.560819 -3.946724      6.718533 
1 1 1 17 10 32 o 222.2959 2.863878 499.8128       12.75213      506.1888       21.74238      493.5075       13.34015      223.1427 4.871857 221.4491 3.012012 1.693558       5.727757 
1 1 1 17 10 33 o 50.27516 7.925663 29.08903       8.664365      35.72723       16.57777      22.45792       5.039217      53.74759 14.90915 46.80274 5.383464 6.944843       15.85133 
1 1 1 17 10 34 o 109.8576 5.005117 126.4586       10.99517      131.0636       20.87099      121.8537       6.933618      109.8487 9.499882 109.8664 3.155476 -0.1774597E-01 10.01023 
1 1 1 17 10 35 o 34.63450 8.575222 15.33798       8.182618      22.86174       15.50093      7.807138       5.264505      42.41682 14.81325 26.85218 8.643223 15.56464       17.15044 
1 1 1 17 10 36 o 22.48373 8.358491 0.000000       0.000000      ?              ?             4.808262       5.014421      ?        ?        22.48373 8.358491 ?              ?        
1 1 1 17 10 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 10 38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 10 39 o 55.59222 4.391750 34.70705       5.061180      40.96976       9.146112      28.44434       4.335016      59.13122 7.733742 52.05321 4.164024 7.078011       8.783500 
1 1 1 17 10 40 o 20.09449 5.810498 3.173155       4.214580      1.778214       7.516674      4.568805       3.820680      20.16280 9.027601 20.02619 7.317783 0.1366024      11.62100 
1 1 1 17 10 41 o 23.89443 6.223135 8.225125       4.451202      9.167366       8.048012      7.289969       3.802261      24.23163 10.07185 23.55723 7.312151 0.6743965      12.44627 
1 1 1 17 11 0  o 59.53609 5.836508 36.47818       6.827350      36.47818       6.827350      36.47818       6.827350      59.53609 5.836508 59.53609 5.836508 0.000000       0.000000 
1 1 1 17 11 1  o 401.9671 3.313427 1616.687       26.63779      1632.981       37.98718      1601.101       37.35666      403.9474 4.701997 399.9869 4.669736 3.960449       6.626855 
1 1 1 17 11 2  o 487.7834 3.845056 2381.815       37.51252      2393.859       53.33225      2369.771       52.76549      489.0153 5.453025 486.5516 5.422394 2.463654       7.690113 
1 1 1 17 11 3  o 237.5874 2.487939 564.8486       11.82406      583.5517       17.03118      546.2163       16.40774      241.5140 3.525919 233.6608 3.511018 7.853241       4.975877 
1 1 1 17 11 4  o 172.2922 2.581759 297.2664       8.947746      315.2610       14.02026      279.2717       11.11561      177.5045 3.949270 167.0799 3.326436 10.42459       5.163517 
1 1 1 17 11 5  o 106.2473 2.767640 112.9272       5.897153      115.1943       9.394071      110.7310       7.127024      107.2890 4.377930 105.2056 3.387191 2.083412       5.535280 
1 1 1 17 11 6  o 528.8138 4.242147 2800.510       44.83791      2789.175       70.77434      2811.845       55.08213      527.6479 6.706588 529.9797 5.196626 -2.331848      8.484294 
1 1 1 17 11 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 11 8  o 294.2468 2.785274 866.4365       16.40774      873.5211       26.17021      859.3521       19.80123      295.4225 4.429286 293.0712 3.378228 2.351257       5.570548 
1 1 1 17 11 9  o 274.4618 2.658709 753.7927       14.58702      751.6674       23.06719      755.9181       17.86716      274.0519 4.208544 274.8717 3.250090 -0.8197632     5.317417 
1 1 1 17 11 10 o 166.0152 2.704861 276.0836       9.124859      294.7159       15.87640      257.5222       8.997337      171.5855 4.626382 160.4450 2.803870 11.14056       5.409723 
1 1 1 17 11 11 o 359.3399 3.119773 1292.216       22.45792      1307.094       35.82641      1278.047       27.07702      361.3121 4.957819 357.3677 3.788399 3.944458       6.239547 
1 1 1 17 11 12 o 338.1604 3.120095 1144.858       21.09061      1137.774       31.85199      1151.943       27.65796      337.0855 4.724616 339.2354 4.076515 -2.149841      6.240190 
1 1 1 17 11 13 o 86.21194 2.682103 74.45828       4.655945      78.85069       7.445828      70.09422       5.594644      88.73766 4.195416 83.68622 3.342632 5.051437       5.364206 
1 1 1 17 11 14 o 163.9853 2.277759 269.2117       7.459997      267.5114       11.83114      270.8411       9.103605      163.4572 3.619034 164.5134 2.766829 -1.056137      4.555518 
1 1 1 17 11 15 o 106.4560 2.459936 113.4940       5.259546      116.9654       8.458915      110.0226       6.251379      108.0672 3.913728 104.8447 2.981256 3.222504       4.919873 
1 1 1 17 11 16 o 101.0664 3.274693 102.9380       6.493669      118.5948       8.522675      87.35210       9.797889      108.8104 3.916296 93.32240 5.249484 15.48801       6.549386 
1 1 1 17 11 17 o 196.4841 2.339976 386.7438       9.146112      368.6783       14.17612      404.8802       11.55485      191.8521 3.694545 201.1162 2.872679 -9.264191      4.679952 
1 1 1 17 11 18 o 118.4727 2.380853 140.7694       5.690285      150.3335       9.195704      131.1344       6.706913      122.4965 3.753456 114.4490 2.930089 8.047501       4.761707 
1 1 1 17 11 19 o 289.9238 3.136713 843.0576       18.12928      831.7224       30.49885      854.3929       19.61703      287.7935 5.298739 292.0542 3.358457 -4.260742      6.273426 
1 1 1 17 11 20 o 39.64335 5.229143 16.47150       3.947494      11.56902       5.951704      21.37399       5.187992      33.18889 8.815375 46.09781 5.627158 -12.90891      10.45829 
1 1 1 17 11 21 o 127.6620 2.589004 163.5107       6.616231      167.1238       9.691620      159.8267       9.004422      129.0772 3.754196 126.2468 3.566199 2.830399       5.178008 
1 1 1 17 11 22 o 68.61356 3.236042 47.63630       4.459704      55.49303       6.838685      39.77956       5.727124      74.30901 4.601518 62.91811 4.551252 11.39090       6.472084 
1 1 1 17 11 23 o 120.2056 2.487217 145.0909       6.012630      153.6632       9.386987      136.5187       7.509589      123.7280 3.793395 116.6831 3.217942 7.044937       4.974435 
1 1 1 17 11 24 o 188.1560 2.481073 355.3594       9.351563      361.5229       14.46659      349.1959       11.85240      189.7255 3.812505 186.5865 3.176114 3.139008       4.962146 
1 1 1 17 11 25 o 69.54459 3.683219 49.13113       4.899652      40.50927       8.118857      57.75299       5.483417      63.24644 6.418430 75.84273 3.614992 -12.59628      7.366438 
1 1 1 17 11 26 o 27.32114 6.272082 7.686701       4.104061      11.60444       6.896070      3.768255       4.450494      33.20264 9.750749 21.43963 7.891700 11.76301       12.54416 
1 1 1 17 11 27 o 182.4839 2.712267 335.0977       9.982086      348.4874       17.04535      321.6371       10.38590      185.9186 4.584089 179.0493 2.900292 6.869339       5.424534 
1 1 1 17 11 28 o 168.4287 2.758112 285.5061       9.323226      291.4571       15.81264      279.4842       9.897071      169.9769 4.651410 166.8805 2.965317 3.096420       5.516223 
1 1 1 17 11 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 11 30 o 34.77505 5.384603 12.01534       4.353436      1.006001       6.952037      23.03177       5.242543      21.95032 9.254723 47.59979 5.506897 -25.64948      10.76921 
1 1 1 17 11 31 o 21.14970 5.711631 1.670529       3.907111      8.593520       6.342061      -5.251753      4.565263      28.87681 9.494171 13.42258 6.352293 15.45422       11.42326 
1 1 1 17 11 32 o 36.18328 5.688298 13.93525       4.203953      8.777717       6.805388      19.09278       4.937909      29.19245 9.834864 43.17411 5.718600 -13.98165      11.37660 
1 1 1 17 11 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 11 34 o 141.2426 4.593081 208.2140       12.56793      196.8788       23.13803      219.5492       9.833311      135.1781 8.558353 147.3072 3.337690 -12.12907      9.186163 
1 1 1 17 11 35 o 33.89588 6.926039 7.000920       8.048012      -3.084599      15.35215      17.08786       4.828099      27.38293 12.49762 40.40882 5.974065 -13.02589      13.85208 
1 1 1 17 11 36 o 39.74836 7.636165 15.82681       8.813140      9.564099       16.91074      22.08244       4.977582      33.46095 14.28345 46.03577 5.406211 -12.57483      15.27233 
1 1 1 17 11 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 11 38 o 32.50071 5.977138 6.803263       7.112856      -5.401237      13.59519      19.00776       4.210329      22.78838 10.86437 42.21304 4.987000 -19.42466      11.95428 
1 1 1 17 11 39 o 24.55499 5.936027 3.881608       5.156821      -2.225247      9.457831      9.989170       4.119648      20.26348 9.466843 28.84650 7.164115 -8.583023      11.87205 
1 1 1 17 11 40 o 17.27705 5.687451 -0.2522797     4.944285      -0.1407694     9.089437      -0.3637192     3.886566      20.10143 9.348202 14.45267 6.480702 5.648758       11.37490 
1 1 1 17 12 0  o 44.14999 7.768904 21.06227       6.269798      21.06227       6.269798      21.06227       6.269798      44.14999 7.768904 44.14999 7.768904 0.000000       0.000000 
1 1 1 17 12 1  o 316.3915 2.938732 1001.751       18.56852      989.7072       29.23072      1013.794       22.90425      314.4627 4.647725 318.3204 3.597671 -3.857758      5.877464 
1 1 1 17 12 2  o 320.1129 2.962303 1025.838       18.92983      1011.669       29.82582      1039.299       23.32932      317.9283 4.690652 322.2976 3.619220 -4.369263      5.924607 
1 1 1 17 12 3  f 132.2420 2.530757 174.9876       6.675741      171.5162       10.53468      178.4590       8.203872      130.9211 4.023293 133.5629 3.071163 -2.641846      5.061515 
1 1 1 17 12 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 12 5  o 106.9739 2.764534 114.5566       5.900695      112.2896       9.337394      116.7529       7.212039      105.9218 4.407681 108.0259 3.338105 -2.104103      5.529068 
1 1 1 17 12 6  o 393.3190 3.356863 1548.676       26.46067      1572.054       42.34417      1525.297       31.73864      396.2342 5.343325 390.4038 4.064848 5.830414       6.713726 
1 1 1 17 12 7  o 284.6405 2.845213 810.4688       16.20229      816.1365       24.76748      805.5097       20.90641      285.5558 4.336714 283.7252 3.684271 1.830597       5.690426 
1 1 1 17 12 8  o 339.9308 3.022592 1156.193       20.57344      1166.112       32.81549      1146.983       24.81706      341.2975 4.807461 338.5641 3.665047 2.733429       6.045184 
1 1 1 17 12 9  o 102.5384 2.590920 105.2051       5.337476      108.8182       8.593520      101.6628       6.334267      104.2729 4.120687 100.8038 3.141879 3.469116       5.181840 
1 1 1 17 12 10 o 142.5697 2.341109 203.5382       6.628983      192.1321       10.32214      214.9443       8.317224      138.5608 3.724769 146.5785 2.837122 -8.017685      4.682218 
1 1 1 17 12 11 o 285.6615 2.716084 816.8449       15.55760      831.0139       24.95876      802.6758       18.56852      288.1033 4.331563 283.2197 3.278112 4.883606       5.432169 
1 1 1 17 12 12 o 317.2976 2.882910 1008.127       18.28514      1003.168       28.88358      1013.086       22.42250      316.4637 4.563490 318.1315 3.524093 -1.667816      5.765819 
1 1 1 17 12 13 o 360.4662 3.134860 1301.426       22.60670      1307.094       35.89725      1296.467       27.50210      361.1159 4.970323 359.8164 3.821685 1.299500       6.269720 
1 1 1 17 12 14 o 197.5001 2.772794 390.7112       10.97392      394.1826       18.84482      387.1689       11.25021      198.3151 4.751231 196.6851 2.859956 1.629974       5.545588 
1 1 1 17 12 15 o 84.57899 2.788997 71.69532       4.731040      73.04137       7.644195      70.28550       5.575515      85.37170 4.477007 83.78627 3.327225 1.585434       5.577994 
1 1 1 17 12 16 o 101.3018 2.582021 102.7963       5.216331      100.4585       8.154280      105.1342       6.509255      100.1301 4.071843 102.4734 3.176070 -2.343323      5.164042 
1 1 1 17 12 17 o 130.4804 2.459633 170.5244       6.414322      168.6824       9.691620      172.3663       8.402238      129.7600 3.734439 131.2008 3.202053 -1.440781      4.919266 
1 1 1 17 12 18 o 95.90971 2.705828 92.45296       5.221998      101.7337       8.062181      83.10139       6.636776      100.7467 4.001213 91.07271 3.643669 9.674019       5.411657 
1 1 1 17 12 19 o 298.2627 3.310066 893.3577       19.71621      886.9816       32.18496      899.0253       22.79089      297.0649 5.417161 299.4604 3.805326 -2.395569      6.620131 
1 1 1 17 12 20 o 39.11458 5.121263 15.93308       3.836974      12.30581       5.795844      19.56035       5.028590      34.15249 8.507028 44.07667 5.704368 -9.924175      10.24253 
1 1 1 17 12 21 o 152.3600 2.724556 232.9389       8.260548      226.9171       13.51017      239.0316       9.514507      150.2842 4.494876 154.4358 3.080409 -4.151581      5.449113 
1 1 1 17 12 22 o 127.1610 2.682984 162.3063       6.833017      163.3690       11.49109      161.1728       7.389152      127.4996 4.506322 126.8223 2.913192 0.6773529      5.365969 
1 1 1 17 12 23 o 122.5441 3.122224 151.0419       7.594603      147.6413       13.34015      154.4425       7.275800      120.9696 5.513842 124.1186 2.930986 -3.149010      6.244448 
1 1 1 17 12 24 o 67.38180 3.543714 45.73765       4.753003      44.78124       7.948828      46.70114       5.209246      66.57128 5.970164 68.19231 3.819526 -1.621033      7.087428 
1 1 1 17 12 25 o 208.3648 2.789353 436.5480       11.63278      439.4526       19.77997      433.7142       12.25622      208.7945 4.736709 207.9351 2.947126 0.8594360      5.578706 
1 1 1 17 12 26 o 68.98434 3.658553 48.03303       5.039926      47.87717       8.444746      48.18889       5.505378      68.74152 6.142391 69.22717 3.976313 -0.4856567     7.317105 
1 1 1 17 12 27 o 120.7856 2.589119 146.8620       6.183367      135.6685       9.712874      158.0556       7.658363      116.0797 4.183711 125.4916 3.051346 -9.411926      5.178237 
1 1 1 17 12 28 o 37.88956 6.326149 15.70638       4.798344      19.90749       7.559181      11.51234       5.909905      43.02162 9.068847 32.75749 8.822509 10.26413       12.65230 
1 1 1 17 12 29 o 153.1370 2.568870 236.1978       7.863815      235.7019       12.51126      236.7646       9.528677      152.8140 4.093623 153.4600 3.104613 -0.6459656     5.137739 
1 1 1 17 12 30 o 133.6858 2.532348 180.0884       6.799012      185.4727       11.05893      174.7042       7.913406      135.5384 4.079630 131.8332 3.001295 3.705231       5.064696 
1 1 1 17 12 31 o 19.02021 5.776055 0.5183742E-01  4.046677      3.397027       6.728167      -3.293592      4.497252      23.56359 9.430598 14.47683 6.671960 9.086757       11.55211 
1 1 1 17 12 32 o 43.69304 5.014427 20.12712       4.497252      24.43450       7.502505      15.82681       4.958454      48.24462 7.775483 39.14146 6.334019 9.103165       10.02885 
1 1 1 17 12 33 o 127.3922 2.828111 164.7859       7.197870      164.7150       12.07910      164.9276       7.821308      126.9439 4.757656 127.8404 3.059011 -0.8965912     5.656221 
1 1 1 17 12 34 o 57.62286 4.398273 34.83458       4.853603      29.36533       8.005506      40.30382       5.494752      52.45185 7.631289 62.79386 4.375230 -10.34201      8.796545 
1 1 1 17 12 35 o 39.80697 7.190710 18.39141       6.440535      17.63337       11.67529      19.14945       5.449411      37.18119 12.86829 42.43274 6.421234 -5.251545      14.38142 
1 1 1 17 12 36 o 108.3447 4.268824 127.0254       8.997337      123.4832       16.25897      130.6385       7.715039      103.9267 7.822322 112.7626 3.420922 -8.835869      8.537648 
1 1 1 17 12 37 o 30.05541 7.486481 11.88782       5.998462      16.01810       10.91016      7.764632       4.988917      34.25754 12.38073 25.85329 8.420635 8.404247       14.97296 
1 1 1 17 12 38 o 30.90379 7.052504 14.34615       5.582600      24.43450       10.37173      4.254253       4.123898      41.39972 11.89428 20.40787 7.581378 20.99184       14.10501 
1 1 1 17 12 39 o 20.18770 6.260605 3.209286       5.175949      4.454036       9.571183      1.963828       3.938284      23.37473 10.34468 17.00067 7.054663 6.374058       12.52121 
1 1 1 17 12 40 o 54.11005 5.517501 37.13704       5.814972      42.26623       10.35756      32.00077       5.285758      54.41579 9.881463 53.80432 4.912021 0.6114693      11.03500 
1 1 1 17 13 0  f 19.79167 10.81696 5.565597       6.013339      5.565597       6.013339      5.565597       6.013339      19.79167 10.81696 19.79167 10.81696 0.000000       0.000000 
1 1 1 17 13 1  o 486.6611 3.842093 2371.188       37.39917      2362.687       52.73715      2380.398       53.03470      485.7531 5.428390 487.5691 5.438685 -1.815979      7.684186 
1 1 1 17 13 2  f 186.6799 2.356728 348.7000       8.798972      355.2177       12.58210      342.1822       12.30581      188.4245 3.338765 184.9352 3.327059 3.489319       4.713456 
1 1 1 17 13 3  o 70.04710 3.589218 49.47119       4.869897      41.18938       7.729208      57.75299       5.925491      64.12540 6.026636 75.96881 3.899950 -11.84341      7.178436 
1 1 1 17 13 4  o 171.5905 2.425861 294.6451       8.295970      286.8521       13.16303      302.4380       10.09544      169.3075 3.887315 173.8734 2.903101 -4.565811      4.851723 
1 1 1 17 13 5  f 229.4240 2.496614 526.6630       11.44858      524.8919       18.24263      528.4341       13.84315      229.0199 3.982761 229.8280 3.011632 -0.8080902     4.993227 
1 1 1 17 13 6  o 162.4223 2.361167 263.9691       7.651280      259.3642       12.15703      268.5741       9.294888      160.9935 3.775628 163.8511 2.836383 -2.857574      4.722334 
1 1 1 17 13 7  o 266.6724 2.641735 711.9940       14.02734      686.2064       21.86282      737.4984       17.58377      261.8447 4.174769 271.5001 3.238263 -9.655457      5.283469 
1 1 1 17 13 8  o 204.7589 2.417163 419.5451       9.925409      426.6297       15.96850      412.4607       11.78155      206.4705 3.867018 203.0472 2.901186 3.423355       4.834326 
1 1 1 17 13 9  o 317.0747 2.905384 1006.002       18.40558      1000.334       29.11737      1012.378       22.53585      316.0862 4.605922 318.0631 3.542670 -1.976898      5.810768 
1 1 1 17 13 10 o 188.4075 2.367629 355.2177       8.919409      355.3594       14.21154      355.1469       10.78972      188.4158 3.771324 188.3992 2.863525 0.1660156E-01  4.735257 
1 1 1 17 13 11 o 103.4499 2.647343 107.1888       5.458621      103.0089       8.303054      111.3686       7.084518      101.4198 4.093408 105.4799 3.358231 -4.060074      5.294686 
1 1 1 17 13 12 o 233.4269 2.497562 545.5079       11.66820      549.2626       18.66062      541.8239       14.02026      234.1845 3.984171 232.6694 3.012915 1.515121       4.995125 
1 1 1 17 13 13 o 29.60397 6.112508 8.976085       3.894360      9.436578       6.248545      8.522675       4.649569      30.55105 9.351747 28.65689 7.873744 1.894159       12.22502 
1 1 1 17 13 14 o 180.1370 2.466771 324.8960       8.891070      328.0132       13.68020      321.8496       11.37065      180.9705 3.779677 179.3035 3.170784 1.667053       4.933542 
1 1 1 17 13 15 o 79.24743 3.339331 63.02387       5.288592      59.29033       7.360813      66.75741       7.601687      76.89520 4.786264 81.59966 4.657917 -4.704468      6.678661 
1 1 1 17 13 16 o 320.9769 3.064068 1032.923       19.63828      1007.418       29.28031      1058.427       26.17729      316.9605 4.618921 324.9932 4.027359 -8.032684      6.128136 
1 1 1 17 13 17 o 31.67303 6.589272 10.25130       4.544010      10.41424       7.424574      10.08835       5.240418      32.27884 10.25179 31.06722 8.280996 1.211620       13.17854 
1 1 1 17 13 18 o 232.3830 2.956769 541.8947       13.63061      516.4614       21.93367      567.3282       16.20229      226.8116 4.835217 237.9543 3.404497 -11.14270      5.913537 
1 1 1 17 13 19 o 154.1671 2.653856 238.3232       8.168448      236.8354       13.72271      239.8818       8.869816      153.5826 4.467536 154.7517 2.865822 -1.169174      5.307713 
1 1 1 17 13 20 o 171.2705 2.692381 294.3617       9.167366      286.3562       15.43716      302.3672       9.882903      168.8154 4.572204 173.7256 2.844401 -4.910217      5.384762 
1 1 1 17 13 21 o 54.42432 4.091437 30.93809       4.649569      42.27332       8.012589      19.60286       4.723248      64.72362 6.189850 44.12502 5.352120 20.59860       8.182875 
1 1 1 17 13 22 o 163.3159 2.691978 267.8656       8.735210      259.4350       14.55868      276.2962       9.649114      160.6070 4.532393 166.0247 2.905926 -5.417709      5.383957 
1 1 1 17 13 23 o 203.1224 2.693523 414.3734       10.88890      404.9510       18.01593      423.8667       12.24205      200.6347 4.489733 205.6100 2.977006 -4.975296      5.387047 
1 1 1 17 13 24 o 137.1835 2.403776 188.9441       6.593561      189.1566       10.45675      188.6607       8.040927      137.2069 3.810577 137.1601 2.931220 0.4678345E-01  4.807551 
1 1 1 17 13 25 o 30.21269 5.993115 9.819141       3.936867      14.14070       6.344894      5.497586       4.663030      36.41632 8.797400 24.00907 8.140973 12.40725       11.98623 
1 1 1 17 13 26 o 77.56304 3.013630 60.67181       4.710496      65.00045       7.502505      56.34317       5.698786      80.27773 4.672843 74.84836 3.806888 5.429367       6.027260 
1 1 1 17 13 27 o 155.2003 2.536741 242.2197       7.920490      251.7838       12.87257      232.7264       9.224042      158.1358 4.070100 152.2649 3.028945 5.870834       5.073482 
1 1 1 17 13 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 13 29 o 75.64577 3.494827 58.13556       5.183742      51.92243       8.260548      64.34867       6.269798      71.40871 5.783992 79.88284 3.924371 -8.474136      6.989653 
1 1 1 17 13 30 o 98.08148 3.036603 97.34127       5.920532      94.64915       9.776634      100.0334       6.677866      96.50204 5.065506 99.66091 3.350294 -3.158867      6.073205 
1 1 1 17 13 31 o 129.7601 2.787543 170.6660       7.091603      154.8676       11.61152      186.3937       8.147196      123.4431 4.703189 136.0772 2.993593 -12.63410      5.575087 
1 1 1 17 13 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 13 33 o 34.59507 6.185362 13.33306       4.315888      13.21263       6.712580      13.46058       5.428158      34.23292 9.484234 34.95722 7.942552 -0.7242966     12.37072 
1 1 1 17 13 34 o 36.22495 5.879171 14.80664       4.210329      16.92491       6.633943      12.68837       5.187284      38.68607 8.774137 33.76382 7.827715 4.922256       11.75834 
1 1 1 17 13 35 o 25.07813 6.333722 5.666906       4.349185      1.542299       6.458955      9.790804       5.826308      20.88688 8.868889 29.26938 9.044720 -8.382498      12.66744 
1 1 1 17 13 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 13 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 13 38 o 51.90659 5.159843 32.27706       5.728541      42.22372       10.49926      22.32332       4.583683      58.26531 9.009869 45.54788 5.031720 12.71743       10.31969 
1 1 1 17 13 39 o 26.49302 6.256863 8.118857       5.285050      5.864564       9.819141      10.37882       3.920572      23.72749 10.49225 29.25855 6.819530 -5.531063      12.51373 
1 1 1 17 13 40 o 42.03771 6.135889 24.85249       5.230500      29.50702       9.627860      20.19796       4.084224      41.53800 11.29378 42.53743 4.800742 -0.9994278     12.27178 
1 1 1 17 14 0  o 36.24132 9.555727 15.59302       5.970123      15.59302       5.970123      15.59302       5.970123      36.24132 9.555727 36.24132 9.555727 0.000000       0.000000 
1 1 1 17 14 1  o 413.1519 3.375024 1708.786       27.88466      1707.369       39.43951      1710.203       39.43951      412.9804 4.774985 413.3234 4.771024 -0.3429565     6.750048 
1 1 1 17 14 2  f 74.59044 3.277475 55.70557       4.886192      57.54045       6.867023      53.87776       6.953454      75.81851 4.528593 73.36236 4.739116 2.456154       6.554950 
1 1 1 17 14 3  o 566.1111 4.363627 3210.703       49.40743      3186.616       69.38577      3234.791       70.35635      563.9908 6.151321 568.2314 6.190818 -4.240601      8.727255 
1 1 1 17 14 4  o 158.5364 2.524182 251.5004       8.012589      248.9500       10.35756      254.0508       12.22079      157.7401 3.283111 159.3327 3.834992 -1.592606      5.048364 
1 1 1 17 14 5  o 241.1827 2.470074 582.1348       11.91616      593.0450       17.07369      571.1538       16.62736      243.4498 3.506613 238.9155 3.479759 4.534363       4.940147 
1 1 1 17 14 6  o 50.32716 4.326370 25.43342       4.405862      27.69338       7.183701      23.16637       5.105103      52.55902 6.833938 48.09531 5.307278 4.463703       8.652740 
1 1 1 17 14 7  o 242.8991 2.558050 590.4237       12.43333      593.5409       19.87207      587.3774       14.95542      243.5075 4.080381 242.2907 3.086255 1.216827       5.116100 
1 1 1 17 14 8  f 360.6039 3.160961 1302.134       22.78381      1297.884       36.09562      1306.385       27.82090      359.9517 5.013954 361.2561 3.850579 -1.304382      6.321921 
1 1 1 17 14 9  o 171.9690 2.367322 296.1328       8.104689      285.5769       12.75213      306.6179       10.00334      168.8915 3.775244 175.0465 2.857338 -6.154999      4.734644 
1 1 1 17 14 10 o 250.1936 2.579981 626.8381       12.95758      644.6202       20.88516      609.1268       15.35215      253.6935 4.116219 246.6936 3.111582 6.999832       5.159961 
1 1 1 17 14 11 o 379.4228 3.645205 1443.116       27.65796      1421.863       39.02861      1465.078       39.20572      376.5776 5.182014 382.2680 5.128041 -5.690399      7.290410 
1 1 1 17 14 12 o 193.3674 3.181187 374.8418       12.30581      361.8772       17.04535      387.7357       17.75380      190.0325 4.484852 196.7023 4.512861 -6.669830      6.362374 
1 1 1 17 14 13 o 246.8269 3.066303 610.5438       15.09002      600.9796       24.77456      620.1078       17.24372      244.8003 5.060157 248.8535 3.464633 -4.053162      6.132607 
1 1 1 17 14 14 o 170.3578 2.827089 290.8903       9.691620      300.0293       16.23771      281.6805       10.57718      172.9831 4.693439 167.7325 3.152992 5.250610       5.654178 
1 1 1 17 14 15 o 169.1879 3.295880 287.0647       11.15103      284.1600       15.86224      289.9693       15.67804      168.3266 4.711742 170.0491 4.609857 -1.722443      6.591760 
1 1 1 17 14 16 o 176.3550 2.750725 311.6479       9.698705      311.0811       16.40774      312.2856       10.33631      176.1020 4.658591 176.6080 2.926343 -0.5059662     5.501450 
1 1 1 17 14 17 o 132.4713 2.734002 175.9794       7.268716      179.3800       12.31998      172.5080       7.729208      133.6955 4.607477 131.2471 2.944525 2.448380       5.468004 
1 1 1 17 14 18 o 125.8749 2.767774 158.9766       6.983918      161.0311       11.86657      156.8512       7.374983      126.6188 4.685942 125.1311 2.946903 1.487762       5.535548 
1 1 1 17 14 19 o 22.86775 5.287407 0.9408240      3.863188      -7.729208      6.226583      9.613690       4.573764      15.51558 7.378586 30.21992 7.575167 -14.70434      10.57481 
1 1 1 17 14 20 f 127.0321 2.446613 161.9521       6.254212      169.3908       10.08127      154.4425       7.403321      129.9196 3.879812 124.1447 2.981732 5.774910       4.893227 
1 1 1 17 14 21 o 59.22752 3.770452 35.45092       4.406570      31.56153       6.706913      39.34032       5.717206      55.90909 5.998052 62.54596 4.570405 -6.636864      7.540904 
1 1 1 17 14 22 o 86.03482 2.912418 74.45828       5.027174      77.22124       7.743378      71.62447       6.410071      87.62012 4.418722 84.44952 3.795209 3.170601       5.824836 
1 1 1 17 14 23 f 71.92042 3.224813 52.66631       4.714746      63.88819       7.615856      41.43734       5.557804      79.65250 4.780677 64.18834 4.329294 15.46416       6.449625 
1 1 1 17 14 24 o 131.9495 2.716535 174.9876       7.141194      171.9413       11.85240      178.1048       7.970083      130.6532 4.535826 133.2459 2.990743 -2.592712      5.433071 
1 1 1 17 14 25 o 170.7048 2.680025 292.9448       9.117774      288.5524       15.14670      297.4081       10.15920      169.2348 4.475055 172.1748 2.950257 -2.940018      5.360050 
1 1 1 17 14 26 o 126.7421 2.796579 161.7395       7.023591      154.0174       11.46984      169.3908       8.111773      123.5823 4.640565 129.9018 3.122271 -6.319504      5.593158 
1 1 1 17 14 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 14 28 o 47.46338 5.509482 23.86066       4.873440      18.92983       7.800055      28.79148       5.847561      41.70782 9.551700 53.21894 5.493872 -11.51112      11.01896 
1 1 1 17 14 29 o 142.2364 2.604620 203.9633       7.410406      203.5382       11.31397      204.3175       9.564099      142.0049 3.983658 142.4679 3.356581 -0.4630127     5.209239 
1 1 1 17 14 30 o 54.27189 4.206071 30.20838       4.583683      31.94409       7.056180      28.46559       5.851812      55.75005 6.328406 52.79372 5.542148 2.956333       8.412142 
1 1 1 17 14 31 o 107.0344 2.883808 116.1861       6.171323      116.1152       9.479085      116.1861       7.906322      106.8849 4.434250 107.1840 3.688200 -0.2991333     5.767616 
1 1 1 17 14 32 o 158.4849 2.620684 254.5467       8.295970      252.4922       12.79464      256.6012       10.57010      157.6364 4.058277 159.3334 3.316976 -1.697021      5.241368 
1 1 1 17 14 33 o 142.5214 2.618392 206.5845       7.509589      218.9825       11.90199      194.1158       9.160281      146.5905 4.059604 138.4523 3.308100 8.138260       5.236784 
1 1 1 17 14 34 o 86.03811 3.062999 76.44194       5.147611      66.02062       8.033843      86.85619       6.436285      79.72853 5.038249 92.34769 3.484811 -12.61916      6.125998 
1 1 1 17 14 35 o 51.37405 4.606106 28.53644       4.765755      30.61929       7.622942      26.45359       5.718623      52.82326 7.215515 49.92485 5.727231 2.898415       9.212212 
1 1 1 17 14 36 o 17.39006 5.559821 -1.520337      4.206078      -2.527756      6.570890      -0.5135567     5.252461      17.66753 8.110365 17.11259 7.607130 0.5549374      11.11964 
1 1 1 17 14 37 o 35.55855 5.248069 15.06877       4.026840      4.842268       6.135900      25.29173       5.216331      22.56966 9.016994 48.54744 5.372405 -25.97779      10.49614 
1 1 1 17 14 38 o 20.35637 5.990188 1.063386       5.088809      -2.838766      9.316141      4.964830       4.106186      19.75287 9.266613 20.95986 7.593371 -1.206987      11.98038 
1 1 1 17 14 39 o 34.68307 6.143095 15.94725       5.331100      12.75922       9.847479      19.13528       4.079974      27.64573 11.27128 41.72041 4.889662 -14.07468      12.28619 
1 1 1 17 15 0  f 166.1185 3.327339 276.3670       11.04476      276.3670       11.04476      276.3670       11.04476      166.1185 3.327339 166.1185 3.327339 0.000000       0.000000 
1 1 1 17 15 1  o 267.9728 2.817187 718.3701       15.11128      725.4547       23.00343      711.9940       19.59578      269.2103 4.272390 266.7353 3.673263 2.475067       5.634375 
1 1 1 17 15 2  o 641.2686 4.874501 4123.189       62.52087      4067.222       87.28126      4179.157       89.54830      636.9262 6.851757 645.6109 6.935161 -8.684692      9.749002 
1 1 1 17 15 3  o 162.0388 2.363453 262.7648       7.658363      257.0263       10.69762      268.5032       10.96683      160.2694 3.337387 163.8083 3.347461 -3.538849      4.726907 
1 1 1 17 15 4  o 110.8908 2.556007 123.0581       5.666197      126.8129       8.097604      119.3741       7.934660      112.5670 3.596794 109.2147 3.632598 3.352295       5.112015 
1 1 1 17 15 5  o 188.3643 2.336346 355.0760       8.806056      351.9588       12.38374      358.1932       12.51126      187.5376 3.301668 189.1911 3.306514 -1.653458      4.672691 
1 1 1 17 15 6  o 328.8091 2.894329 1082.514       19.03610      1083.223       26.92825      1081.806       26.90700      328.9167 4.093476 328.7015 4.092923 0.2151489      5.788658 
1 1 1 17 15 7  o 112.0998 2.539781 125.8919       5.693118      119.1616       7.877984      132.6222       8.225125      109.1005 3.610424 115.0991 3.573064 -5.998520      5.079561 
1 1 1 17 15 8  o 348.1026 3.251782 1214.286       22.72713      1263.170       35.58553      1166.112       28.28139      354.9949 5.012118 341.2103 4.144276 13.78461       6.503565 
1 1 1 17 15 9  o 234.3489 3.039719 550.3962       14.35323      571.4372       24.12987      529.3552       15.54343      238.7492 5.053391 229.9487 3.379762 8.800583       6.079437 
1 1 1 17 15 10 o 122.6468 3.152712 150.8294       7.771716      157.0638       12.50417      144.5242       9.245295      125.1660 4.995035 120.1276 3.848115 5.038467       6.305423 
1 1 1 17 15 11 o 259.8689 3.157139 676.7840       16.35107      664.1735       26.77948      689.4653       18.77397      257.3415 5.203101 262.3963 3.577408 -5.054779      6.314278 
1 1 1 17 15 12 o 156.0358 2.874870 244.1325       9.068183      257.8056       15.33798      230.4594       9.684536      160.3518 4.782603 151.7198 3.191587 8.632065       5.749741 
1 1 1 17 15 13 o 118.8718 4.335399 141.9737       10.20879      138.9982       19.10695      144.9492       7.212039      117.4158 8.136446 120.3278 2.996831 -2.911972      8.670798 
1 1 1 17 15 14 o 97.00650 3.131263 94.57832       6.214540      103.7882       10.86057      85.36844       6.040260      101.6837 5.340368 92.32932 3.271041 9.354362       6.262527 
1 1 1 17 15 15 o 163.1658 2.387790 267.0155       7.877984      286.9938       12.83715      247.1080       9.117774      169.2315 3.792778 157.1002 2.901897 12.13123       4.775580 
1 1 1 17 15 16 o 273.6631 2.730957 750.9589       14.99793      770.7955       24.13695      731.1223       17.81756      277.1841 4.353957 270.1422 3.297812 7.041901       5.461915 
1 1 1 17 15 17 o 102.4588 2.648058 105.2759       5.425323      105.0634       8.636027      105.4885       6.565931      102.3163 4.220259 102.6014 3.199728 -0.2850876     5.296116 
1 1 1 17 15 18 o 121.8729 2.545590 148.9874       6.226583      152.3171       10.10252      145.6577       7.275800      123.1817 4.100659 120.5641 3.017400 2.617622       5.091179 
1 1 1 17 15 19 o 91.76832 2.926394 84.73083       5.333225      77.71716       7.962997      91.67366       7.091603      87.94516 4.527252 95.59148 3.709328 -7.646317      5.852787 
1 1 1 17 15 20 o 69.66974 3.614166 49.24448       5.194368      57.61130       8.933578      40.87058       5.305595      75.55470 5.911994 63.78479 4.158982 11.76991       7.228333 
1 1 1 17 15 21 o 152.3475 2.689576 233.1515       8.168448      228.9008       13.47475      237.3313       9.224042      150.8457 4.466402 153.8492 2.997754 -3.003464      5.379152 
1 1 1 17 15 22 o 178.7102 2.804688 320.9286       9.975000      311.2937       15.98267      330.5636       11.94450      175.8975 4.543178 181.5229 3.290080 -5.625366      5.609375 
1 1 1 17 15 23 o 217.8797 2.808674 477.4256       12.19954      470.3411       20.27589      484.5102       13.56685      216.0197 4.693065 219.7397 3.087028 -3.720032      5.617348 
1 1 1 17 15 24 o 87.73801 3.436354 77.78800       5.944619      70.34927       9.266549      85.22675       7.452912      83.42280 5.553967 92.05322 4.048154 -8.630424      6.872707 
1 1 1 17 15 25 o 98.28088 3.272064 97.62466       6.337809      88.76900       10.03168      106.4095       7.743378      93.69218 5.353529 102.8696 3.763686 -9.177414      6.544128 
1 1 1 17 15 26 o 63.11382 4.503614 40.98394       5.490501      32.48960       8.373900      49.48536       7.105771      56.29284 7.437801 69.93481 5.080283 -13.64196      9.007228 
1 1 1 17 15 27 o 51.53097 5.669934 28.39475       5.421782      20.77181       8.182618      36.01769       7.112856      43.65133 9.631107 59.41061 5.986183 -15.75929      11.33987 
1 1 1 17 15 28 o 26.30937 6.565840 6.015463       4.484500      3.408362       6.867732      8.621859       5.768923      23.87877 9.539712 28.73997 9.024129 -4.861210      13.13168 
1 1 1 17 15 29 o 20.30502 6.099603 0.5519548      4.342809      0.1354560E-02  6.592852      1.102351       5.654862      20.55295 8.850065 20.05708 8.396247 0.4958725      12.19921 
1 1 1 17 15 30 o 39.53548 5.587204 16.66279       4.330057      15.75597       6.823099      17.56252       5.333225      37.80973 9.115931 41.26125 6.462753 -3.451519      11.17441 
1 1 1 17 15 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 15 32 o 115.6871 2.685098 135.9519       6.170615      129.5050       9.691620      142.3280       7.637110      112.7146 4.299185 118.6596 3.218076 -5.944946      5.370196 
1 1 1 17 15 33 f 71.90063 3.336245 53.14805       4.772131      51.39109       7.523758      54.90501       5.868815      70.43682 5.340785 73.36443 3.999768 -2.927612      6.672490 
1 1 1 17 15 34 o 19.33718 5.772586 0.1669821      4.114688      5.672574       6.549637      -5.338893      4.982541      24.73765 9.462318 13.93672 6.614797 10.80092       11.54517 
1 1 1 17 15 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 15 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 15 37 f 20.55270 5.853150 3.587600       3.802969      2.458328       5.958079      4.716872       4.727499      19.93890 8.493721 21.16650 8.055693 -1.227594      11.70630 
1 1 1 17 15 38 o 19.93614 5.562937 2.709120       3.720080      -1.697451      5.703745      7.112856       4.776382      16.22323 7.490884 23.64905 8.226283 -7.425816      11.12587 
1 1 1 17 15 39 o 39.54590 6.062293 21.62195       5.272298      15.66387       9.634944      27.58003       4.281174      28.72942 11.35517 50.36238 4.250369 -21.63296      12.12459 
1 1 1 17 16 0  o 174.6278 3.335478 305.4136       11.63986      305.4136       11.63986      305.4136       11.63986      174.6278 3.335478 174.6278 3.335478 0.000000       0.000000 
1 1 1 17 16 1  o 224.4526 2.467251 504.3468       11.08019      489.3277       15.38757      519.4368       15.94017      221.1028 3.479733 227.8025 3.498681 -6.699707      4.934502 
1 1 1 17 16 2  o 97.39288 2.729991 95.00338       5.316930      94.72000       7.530843      95.21592       7.509589      97.26543 3.871284 97.52035 3.850268 -0.2549210     5.459982 
1 1 1 17 16 3  o 230.7193 2.695809 532.9683       12.44041      532.1182       16.23063      533.8184       18.85899      230.5562 3.519886 230.8825 4.084110 -0.3262482     5.391618 
1 1 1 17 16 4  o 144.3006 2.625653 208.7099       7.545012      194.8951       11.11561      222.5247       10.20170      139.5063 3.983909 149.0950 3.421211 -9.588638      5.251306 
1 1 1 17 16 5  o 36.77097 6.114075 14.02734       4.820306      6.134484       6.584351      21.91241       7.040594      26.85493 9.626678 46.68701 7.540205 -19.83209      12.22815 
1 1 1 17 16 6  o 57.97252 4.433975 33.75773       5.140526      35.47926       7.396237      32.03619       7.141194      59.45345 6.220191 56.49159 6.320581 2.961853       8.867949 
1 1 1 17 16 7  o 167.1407 2.695465 279.7676       9.011506      273.1082       12.66712      286.4979       12.81589      165.1393 3.835283 169.1420 3.788500 -4.002731      5.390930 
1 1 1 17 16 8  o 142.8381 2.746088 204.3884       7.842561      210.4810       11.25730      198.2957       10.93141      144.9676 3.882695 140.7086 3.884414 4.258972       5.492176 
1 1 1 17 16 9  o 160.4605 2.695944 257.9473       8.657280      247.5331       12.01534      268.4324       12.45458      157.2089 3.821458 163.7122 3.803804 -6.503326      5.391889 
1 1 1 17 16 10 o 21.69279 6.347199 -0.2135982     4.873440      -4.090600      8.097604      3.663404       5.428158      20.64494 9.301659 22.74065 8.638686 -2.095709      12.69440 
1 1 1 17 16 11 o 333.2843 3.042230 1112.978       20.24047      1096.683       31.89450      1129.981       24.92334      330.6967 4.822319 335.8719 3.710243 -5.175262      6.084461 
1 1 1 17 16 12 o 205.0730 2.477281 421.3163       10.20170      434.2810       16.46442      408.3516       12.05785      208.1847 3.954282 201.9613 2.985188 6.223373       4.954563 
1 1 1 17 16 13 o 102.9912 2.695369 106.3386       5.598895      112.5022       9.167366      100.2459       6.433450      105.9307 4.327059 100.0518 3.215061 5.878906       5.390738 
1 1 1 17 16 14 o 99.01996 3.075913 98.33311       6.091977      98.97072       8.678535      97.69550       8.551013      99.33981 4.368105 98.70011 4.331815 0.6396942      6.151826 
1 1 1 17 16 15 o 43.38807 4.988154 19.93583       4.295343      27.09828       7.013672      12.78047       4.959870      51.84475 6.764111 34.93139 7.333043 16.91336       9.976308 
1 1 1 17 16 16 o 170.4069 2.420263 291.1737       8.218040      283.4516       12.91508      298.8250       10.17337      168.1033 3.841410 172.7104 2.945211 -4.607010      4.840526 
1 1 1 17 16 17 o 119.8696 2.525809 144.0991       6.077100      147.9956       9.705790      140.2735       7.311223      121.4315 3.996407 118.3078 3.089916 3.123688       5.051619 
1 1 1 17 16 18 o 28.30616 6.676880 7.828392       4.538342      8.919409       7.622942      6.733834       4.932950      30.57857 10.40887 26.03375 8.365308 4.544811       13.35376 
1 1 1 17 16 19 o 57.74816 4.216734 33.72230       4.945702      36.48527       8.402238      30.95934       5.219164      60.01673 6.999913 55.47960 4.703679 4.537136       8.433468 
1 1 1 17 16 20 o 109.2243 3.505035 120.2951       7.495420      112.0771       13.19137      128.5132       7.112856      105.2516 6.266591 113.1971 3.141802 -7.945488      7.010070 
1 1 1 17 16 21 o 24.76927 6.435161 4.896110       4.427115      9.379901       7.233293      0.4150819      5.107938      30.75365 10.13934 18.78489 7.927104 11.96876       12.87032 
1 1 1 17 16 22 o 144.4467 2.846739 209.9143       8.196787      205.2385       13.09219      214.5192       9.861650      142.7257 4.586485 146.1677 3.373403 -3.441940      5.693478 
1 1 1 17 16 23 o 77.15086 3.383929 59.98461       5.220581      60.09089       8.026759      59.88543       6.680700      77.16266 5.201194 77.13905 4.330297 0.2360535E-01  6.767857 
1 1 1 17 16 24 o 49.18648 5.517732 25.71680       4.979708      17.93800       7.679617      33.49560       6.341352      40.84169 9.560746 57.53126 5.511223 -16.68957      11.03546 
1 1 1 17 16 25 o 171.2733 2.713277 295.2119       9.280719      288.4107       14.05568      302.0130       12.10744      169.2090 4.153351 173.3376 3.492445 -4.128662      5.426554 
1 1 1 17 16 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 16 27 o 112.3218 2.820513 127.3088       6.366856      132.3388       10.15920      122.2788       7.672533      114.4267 4.439174 110.2170 3.480649 4.209671       5.641027 
1 1 1 17 16 28 o 50.32856 4.426476 26.02852       4.495126      28.81273       7.084518      23.24430       5.532300      52.94276 6.690734 47.71436 5.797312 5.228401       8.852951 
1 1 1 17 16 29 o 121.6641 2.682492 149.5542       6.514922      147.9247       10.27255      151.1836       8.019674      120.8423 4.250394 122.4859 3.273713 -1.643593      5.364983 
1 1 1 17 16 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 16 31 o 88.09830 3.009205 79.70082       5.389193      94.72000       8.721042      64.65331       6.335684      96.38722 4.523962 79.80938 3.969260 16.57784       6.018410 
1 1 1 17 16 32 f 89.59160 2.958709 82.10956       5.364397      90.89436       8.671450      73.39561       6.320807      94.18979 4.603179 84.99341 3.718410 9.196381       5.917418 
1 1 1 17 16 33 o 49.33447 4.794237 26.51026       4.410112      21.29606       6.803263      31.72447       5.613063      43.44424 8.130920 55.22471 5.082022 -11.78047      9.588473 
1 1 1 17 16 34 o 61.92637 4.397990 42.35833       5.514588      50.84558       8.791886      33.87108       6.662989      67.98388 6.466155 55.86885 5.963062 12.11502       8.795980 
1 1 1 17 16 35 o 31.92283 6.325851 12.26330       4.352728      10.69054       6.911656      13.83606       5.292843      29.45701 9.911350 34.38864 7.863251 -4.931627      12.65170 
1 1 1 17 16 36 o 66.09401 3.348239 46.22648       4.449785      49.13113       7.008713      43.31474       5.484125      67.83771 5.165795 64.35032 4.261148 3.487389       6.696478 
1 1 1 17 16 37 o 24.16393 5.929533 6.894653       3.691742      4.784175       5.686034      9.004422       4.710496      21.58108 8.656049 26.74677 8.106185 -5.165697      11.85907 
1 1 1 17 16 38 o 26.21485 6.103736 9.231127       3.882316      7.127024       5.879441      11.34231       5.071097      23.30837 8.950758 29.12133 8.300982 -5.812962      12.20747 
1 1 1 17 17 0  o 21.27817 11.75269 6.389527       7.176617      6.389527       7.176617      6.389527       7.176617      21.27817 11.75269 21.27817 11.75269 0.000000       0.000000 
1 1 1 17 17 1  o 214.0406 4.034762 458.8643       17.27205      458.8643       17.27205      ?              ?             214.0406 4.034762 ?        ?        ?              ?        
1 1 1 17 17 2  o 186.0789 2.777612 346.7872       10.33631      349.9043       14.80664      343.6700       14.43116      186.9128 3.960841 185.2449 3.895158 1.667923       5.555224 
1 1 1 17 17 3  o 103.7509 3.124962 108.0389       6.467456      98.26226       9.096521      117.8864       9.195704      99.02337 4.593118 108.4785 4.238491 -9.455147      6.249923 
1 1 1 17 17 4  o 224.0831 2.864409 503.0008       12.83715      503.0008       18.30639      502.9299       18.00176      224.0879 4.084645 224.0784 4.016845 0.9567261E-02  5.728819 
1 1 1 17 17 5  o 185.7132 2.754577 345.9370       10.24421      372.2914       15.16087      319.5826       13.78647      192.7948 3.931866 178.6315 3.858913 14.16330       5.509154 
1 1 1 17 17 6  o 91.77217 2.832702 84.37660       5.195077      80.40928       7.346645      88.41478       7.346645      89.59137 4.100085 93.95298 3.909745 -4.361610      5.665405 
1 1 1 17 17 7  o 108.2614 2.602380 117.6030       5.630774      126.9546       8.097604      108.1806       7.821308      112.5940 3.595931 103.9289 3.762817 8.665077       5.204759 
1 1 1 17 17 8  o 54.10743 3.953633 29.42200       4.264880      31.70322       5.961622      27.14787       6.100478      56.21444 5.302572 52.00042 5.865797 4.214012       7.907265 
1 1 1 17 17 9  o 275.4060 2.670250 759.4603       14.70746      766.5449       20.85682      753.0842       20.74347      276.6266 3.769851 274.1854 3.782745 2.441162       5.340500 
1 1 1 17 17 10 o 163.9633 2.526537 269.3534       8.303054      260.4269       10.80389      278.2799       12.61044      161.2618 3.349798 166.6648 3.783175 -5.402969      5.053074 
1 1 1 17 17 11 o 226.1253 2.675775 512.3524       12.10036      510.0853       18.25680      514.5485       15.87640      225.6015 4.046250 226.6490 3.502420 -1.047531      5.351551 
1 1 1 17 17 12 o 123.7714 2.585060 153.5215       6.368981      149.1291       10.24421      157.9139       7.573349      121.9621 4.199753 125.5808 3.015329 -3.618713      5.170120 
1 1 1 17 17 13 o 118.4163 2.580283 140.6277       6.162114      149.1999       10.03168      132.1263       7.162447      121.9782 4.112079 114.8545 3.118052 7.123642       5.160566 
1 1 1 17 17 14 o 105.9756 2.873198 112.7147       6.111105      119.0199       9.358648      106.4803       7.863815      108.9047 4.296713 103.0464 3.815668 5.858376       5.746396 
1 1 1 17 17 15 o 148.0826 2.732384 220.1160       8.012589      209.2767       13.19846      230.9553       9.089437      144.3394 4.572021 151.8257 2.993379 -7.486282      5.464768 
1 1 1 17 17 16 o 55.43183 4.575975 31.03019       5.077474      31.31357       8.437660      30.73972       5.654153      55.58791 7.589475 55.27575 5.114498 0.3121643      9.151951 
1 1 1 17 17 17 o 106.6269 3.112368 114.4150       6.551762      104.7092       10.29380      124.1208       8.111773      102.0197 5.045007 111.2341 3.646262 -9.214363      6.224735 
1 1 1 17 17 18 o 152.5676 2.892341 233.8599       8.834394      236.1978       14.35323      231.4512       10.31506      153.2355 4.683389 151.8997 3.395353 1.335861       5.784683 
1 1 1 17 17 19 o 121.0831 2.755183 147.2871       6.683534      149.6959       10.42841      144.8784       8.359732      122.0178 4.273316 120.1483 3.478920 1.869415       5.510365 
1 1 1 17 17 20 o 121.2041 2.772652 147.7830       6.675033      137.3688       10.08835      158.1264       8.742295      116.8840 4.315539 125.5242 3.482315 -8.640152      5.545304 
1 1 1 17 17 21 o 58.96780 4.122989 35.63512       4.908154      43.51311       7.757547      27.75714       6.016881      65.55724 5.916622 52.37837 5.743670 13.17886       8.245978 
1 1 1 17 17 22 f 65.81482 3.785014 44.07278       5.024340      51.76657       7.856731      36.38609       6.262005      71.58472 5.487715 60.04493 5.214433 11.53979       7.570029 
1 1 1 17 17 23 o 76.46507 3.431054 59.06362       5.195786      55.54262       8.281801      62.57755       6.276175      74.07067 5.590473 78.85948 3.979340 -4.788811      6.862109 
1 1 1 17 17 24 o 81.83879 3.702108 67.82717       6.136609      72.97054       10.26547      62.69798       6.726750      84.78870 6.053557 78.88888 4.263433 5.899826       7.404216 
1 1 1 17 17 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 17 26 o 64.95007 4.122242 43.08095       5.246794      38.29182       8.331393      47.87009       6.380316      61.11306 6.816376 68.78706 4.637730 -7.674000      8.244485 
1 1 1 17 17 27 o 84.44799 3.252015 72.26208       5.433117      66.96286       8.487252      77.64632       6.788385      81.17046 5.228043 87.72552 3.869105 -6.555069      6.504030 
1 1 1 17 17 28 o 106.6156 2.828786 114.9817       6.010505      112.0062       9.436578      117.8864       7.445828      105.0999 4.489338 108.1312 3.442959 -3.031349      5.657572 
1 1 1 17 17 29 o 75.04785 3.369233 57.83092       5.119273      67.98303       8.147196      47.67172       6.200370      81.62344 4.990720 68.47226 4.527651 13.15118       6.738465 
1 1 1 17 17 30 o 38.87329 6.041816 17.23663       4.684283      23.30806       7.509589      11.15812       5.605979      46.05606 8.469632 31.69052 8.618555 14.36554       12.08363 
1 1 1 17 17 31 o 83.82756 3.161858 71.97870       5.246085      66.74324       8.147196      77.15040       6.612689      80.53148 5.058392 87.12363 3.795003 -6.592155      6.323715 
1 1 1 17 17 32 o 22.50548 6.165304 3.767547       4.125315      1.842683       6.463206      5.691702       5.128483      21.21681 8.933376 23.79415 8.499332 -2.577343      12.33061 
1 1 1 17 17 33 o 31.63169 6.389542 11.42733       4.330766      9.946663       6.636776      12.90799       5.565597      29.59088 9.712264 33.67251 8.305233 -4.081625      12.77908 
1 1 1 17 17 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 17 35 o 31.11700 7.652532 12.72379       6.312305      19.41866       8.912323      6.031050       8.940661      37.24540 11.12253 24.98860 10.51353 12.25680       15.30506 
1 1 1 17 17 36 o 23.22268 6.137073 6.349853       3.877357      8.154280       6.159988      4.544010       4.711204      25.56363 9.296614 20.88173 8.014215 4.681902       12.27415 
1 1 1 17 17 37 o 41.04569 5.033902 20.22630       3.987875      19.31948       6.183367      21.12603       5.037092      38.84190 8.212787 43.24949 5.823297 -4.407585      10.06780 
1 1 1 17 17 38 o 21.47110 5.911358 5.574099       3.881608      2.895442       5.846144      8.253463       5.107229      18.83263 8.222902 24.10957 8.494734 -5.276937      11.82272 
1 1 1 17 18 0  o 345.1966 6.129447 1195.158       42.28749      1195.158       42.28749      1195.158       42.28749      345.1966 6.129447 345.1966 6.129447 0.000000       0.000000 
1 1 1 17 18 1  o 256.0181 3.727507 657.4432       19.08569      652.5549       26.87158      662.3315       27.11245      255.0669 5.267555 256.9693 5.275425 -1.902451      7.455015 
1 1 1 17 18 2  o 211.4477 3.202171 448.0957       13.52434      454.8261       17.26497      441.4363       20.81431      213.0746 4.051390 209.8207 4.960023 3.253922       6.404342 
1 1 1 17 18 3  o 115.4331 3.017474 133.6140       6.961247      140.7694       9.897071      126.4586       9.790804      118.5312 4.174882 112.3350 4.357861 6.196182       6.034947 
1 1 1 17 18 4  o 201.2658 2.655387 405.7303       10.69054      405.8012       13.87857      405.6595       16.25897      201.3088 3.447085 201.2228 4.040041 0.8599854E-01  5.310775 
1 1 1 17 18 5  o 250.9552 2.797374 631.2305       13.99901      658.4351       18.76689      604.0260       20.77889      256.3986 3.659709 245.5117 4.231751 10.88689       5.594747 
1 1 1 17 18 6  o 86.64306 3.239270 75.52096       5.547885      84.65999       7.410406      66.41027       8.253463      91.92038 4.030883 81.36574 5.071830 10.55464       6.478539 
1 1 1 17 18 7  o 38.43087 5.647062 15.45133       4.201119      16.74072       5.967289      14.16195       5.914155      40.10772 7.714334 36.75402 8.249016 3.353695       11.29412 
1 1 1 17 18 8  o 122.2295 2.490893 149.6959       6.089851      144.0283       8.458915      155.3635       8.763549      119.9145 3.527060 124.5444 3.518243 -4.629860      4.981786 
1 1 1 17 18 9  o 30.13854 6.251582 9.323226       4.026131      10.35756       5.648486      8.288886       5.737751      31.53244 8.684864 28.74463 8.994567 2.787804       12.50316 
1 1 1 17 18 10 o 31.81572 6.170153 10.56302       4.054470      9.379901       5.618731      11.74613       5.846852      30.16726 8.783024 33.46418 8.668427 -3.296925      12.34031 
1 1 1 17 18 11 o 159.3420 2.824395 254.6176       8.997337      262.9773       12.84423      246.2578       12.61044      161.9615 3.965212 156.7225 4.023174 5.238907       5.648791 
1 1 1 17 18 12 f 94.71909 3.374514 90.25676       6.463914      97.90804       10.50634      82.60548       7.530843      98.69330 5.322722 90.74489 4.149458 7.948410       6.749027 
1 1 1 17 18 13 o 165.8012 2.582172 275.6586       8.565183      277.5714       12.85840      273.7458       11.32106      166.3492 3.864881 165.2532 3.425367 1.096008       5.164344 
1 1 1 17 18 14 f 144.2730 2.914063 208.9933       8.451830      215.2276       13.86440      202.7589       9.656199      146.3371 4.737145 142.2090 3.395073 4.128113       5.828127 
1 1 1 17 18 15 o 156.2202 2.902747 245.0535       9.054014      242.2905       14.57994      247.7456       10.73304      155.2558 4.695456 157.1846 3.414153 -1.928757      5.805493 
1 1 1 17 18 16 o 157.9679 2.797916 250.5794       8.848563      258.0181       13.08510      243.0698       11.91616      160.3055 4.081302 155.6302 3.828356 4.675293       5.595831 
1 1 1 17 18 17 o 68.12111 3.789647 46.77907       5.156821      46.30441       8.055097      47.25373       6.438409      67.71246 5.948018 68.52975 4.697529 -0.8172989     7.579294 
1 1 1 17 18 18 o 127.9141 2.638595 164.5025       6.811056      175.8377       11.00226      153.1673       8.026759      132.2621 4.159262 123.5660 3.247964 8.696121       5.277190 
1 1 1 17 18 19 o 39.72672 5.417837 17.05243       4.426406      3.433157       6.939286      30.67596       5.497586      24.27080 9.622828 55.18263 4.981265 -30.91183      10.83567 
1 1 1 17 18 20 o 108.1737 2.825934 117.7447       6.152195      122.8455       10.02459      112.6438       7.134109      110.4287 4.538944 105.9187 3.367729 4.509987       5.651868 
1 1 1 17 18 21 o 73.66976 3.478247 54.77749       5.167447      58.27724       8.395153      51.27774       6.031758      75.94689 5.526989 71.39263 4.224357 4.554260       6.956493 
1 1 1 17 18 22 o 120.3336 2.899811 145.7994       6.976125      145.5160       10.84640      146.0119       8.777717      120.1472 4.513794 120.5199 3.641604 -0.3727264     5.799623 
1 1 1 17 18 23 o 60.23581 4.463045 37.57628       5.431700      47.78507       8.685618      27.36749       6.529091      68.57193 6.333218 51.89970 6.290106 16.67223       8.926090 
1 1 1 17 18 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 18 25 o 68.50282 4.320136 48.60688       5.700912      36.50652       8.444746      60.70723       7.658363      59.60757 7.083618 77.39808 4.947386 -17.79051      8.640271 
1 1 1 17 18 26 o 27.09746 6.563928 6.481626       4.573056      3.600352       7.311223      9.365732       5.496169      24.54391 9.827486 29.65101 8.704087 -5.107105      13.12786 
1 1 1 17 18 27 o 20.31577 6.201312 -0.8451830E-01 4.603519      0.6874108E-01  6.912364      -0.2378272     6.082059      21.05010 9.063035 19.58145 8.466786 1.468655       12.40262 
1 1 1 17 18 28 o 80.39586 3.368404 65.77267       5.415406      65.94978       8.607689      65.59555       6.571599      80.31956 5.358402 80.47217 4.083150 -0.1526108     6.736809 
1 1 1 17 18 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 18 30 o 25.04648 6.497967 5.846852       4.335725      5.667614       6.891819      6.026091       5.261672      25.49811 9.719960 24.59484 8.626511 0.9032631      12.99593 
1 1 1 17 18 31 o 39.04940 5.721045 16.98867       4.349894      18.20012       6.789093      15.78431       5.440201      40.18172 8.693848 37.91708 7.438981 2.264641       11.44209 
1 1 1 17 18 32 o 25.81380 6.408120 6.614814       4.311637      4.014796       6.643153      9.216957       5.498294      23.17716 9.331305 28.45044 8.785371 -5.273283      12.81624 
1 1 1 17 18 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 18 34 o 62.14703 10.53419 60.04837       13.09927      73.82067       20.58052      46.26899       16.20938      69.24134 15.27162 55.05272 14.51394 14.18862       21.06838 
1 1 1 17 18 35 o 64.53981 3.532973 44.39867       4.534091      42.95343       7.033509      45.83683       5.724998      62.99557 5.582542 66.08405 4.331604 -3.088474      7.065945 
1 1 1 17 18 36 o 48.23623 4.805008 27.41000       4.189075      19.29823       6.318681      35.52177       5.500420      39.08886 8.329625 57.38359 4.792676 -18.29473      9.610016 
1 1 1 17 18 37 o 46.81057 4.464786 25.75931       4.217413      28.66396       6.720373      22.85465       5.097310      48.81691 6.883244 44.80423 5.688426 4.012680       8.929571 
1 1 1 17 19 0  o 270.4525 3.803897 732.5391       20.56635      732.5391       20.56635      732.5391       20.56635      270.4525 3.803897 270.4525 3.803897 0.000000       0.000000 
1 1 1 17 19 1  o 159.2044 2.437011 253.8383       7.757547      247.7456       10.83223      260.0018       11.11561      157.2828 3.443551 161.1259 3.449355 -3.843109      4.874022 
1 1 1 17 19 2  o 119.8723 2.784981 144.0991       6.704788      152.5297       10.33631      135.6685       8.543928      123.3666 4.189268 116.3781 3.670764 6.988495       5.569962 
1 1 1 17 19 3  o 236.5846 2.736417 560.8104       12.95758      566.9739       19.63120      554.6469       16.91783      237.8538 4.126737 235.3154 3.594713 2.538330       5.472834 
1 1 1 17 19 4  o 157.7015 2.809624 249.4459       8.869816      235.2060       12.00117      263.6149       13.07094      153.2117 3.916533 162.1913 4.029482 -8.979553      5.619248 
1 1 1 17 19 5  o 95.52124 3.459657 91.60282       6.620482      95.07423       9.826226      88.06055       8.869816      97.34132 5.047305 93.70116 4.733034 3.640160       6.919313 
1 1 1 17 19 6  o 164.8744 2.810940 272.5414       9.266549      281.9638       13.11344      263.0482       13.09219      167.7422 3.908807 162.0065 4.040638 5.735794       5.621880 
1 1 1 17 19 7  o 135.4428 3.096919 184.6934       8.444746      207.4347       13.11344      161.8812       10.65512      143.8125 4.559216 127.0731 4.192515 16.73941       6.193839 
1 1 1 17 19 8  o 23.18921 6.585118 2.607811       4.671531      1.775380       6.185493      3.439533       7.003046      21.86056 8.926198 24.51785 9.683909 -2.657288      13.17024 
1 1 1 17 19 9  o 86.95700 4.649720 76.15857       8.055097      76.86702       7.700871      75.45012       14.15487      87.53305 4.398837 86.38096 8.193279 1.152092       9.299440 
1 1 1 17 19 10 o 146.1439 3.255354 214.5900       9.429493      226.9879       11.50526      202.1921       14.94833      150.4577 3.823418 141.8301 5.269801 8.627594       6.510709 
1 1 1 17 19 11 o 88.53831 3.932416 78.92152       6.956288      79.34660       8.239295      78.42561       11.20771      88.88170 4.634978 88.19494 6.353940 0.6867599      7.864831 
1 1 1 17 19 12 o 161.2912 3.109992 261.4896       10.08127      276.6504       15.69221      246.3287       12.66003      165.9171 4.728930 156.6652 4.040473 9.251907       6.219984 
1 1 1 17 19 13 o 166.4582 3.090579 278.3507       10.22296      287.6314       11.81698      269.1408       16.69112      169.3569 3.488780 163.5595 5.102464 5.797409       6.181159 
1 1 1 17 19 14 o 50.73020 4.498023 26.05686       4.554636      23.31515       6.308055      28.79148       6.570890      48.04132 6.565240 53.41908 6.150321 -5.377762      8.996045 
1 1 1 17 19 15 o 229.0091 2.646665 526.5214       12.05785      505.1261       18.81648      547.9875       15.09002      224.2411 4.195592 233.7771 3.227438 -9.536072      5.293331 
1 1 1 17 19 16 o 38.76163 5.933340 15.60719       4.595727      15.35923       7.615856      15.85515       5.151153      37.94933 9.922729 39.57394 6.508264 -1.624615      11.86668 
1 1 1 17 19 17 o 129.1836 2.710012 167.6197       6.963373      161.9521       11.16520      173.3582       8.324308      126.8968 4.399323 131.4703 3.165851 -4.573532      5.420024 
1 1 1 17 19 18 o 37.69887 6.258351 15.27422       4.744502      18.24263       7.856731      12.29872       5.323307      41.32284 9.668414 34.07489 7.949188 7.247948       12.51670 
1 1 1 17 19 19 o 89.71078 3.228405 81.11773       5.785926      80.55096       9.301972      81.61364       6.879775      89.31664 5.207301 90.10493 3.817647 -0.7882843     6.456811 
1 1 1 17 19 20 o 149.5244 2.664794 224.6501       7.948828      220.4702       12.71671      228.9008       9.528677      148.0128 4.295815 151.0361 3.154437 -3.023315      5.329588 
1 1 1 17 19 21 o 102.2637 3.402211 105.7719       7.082392      115.4068       12.10744      96.13691       7.353730      106.7509 5.670884 97.77643 3.760482 8.974495       6.804421 
1 1 1 17 19 22 o 120.8596 2.935809 147.0746       7.071766      143.8157       11.25021      150.4043       8.572267      119.3849 4.711739 122.3342 3.503627 -2.949219      5.871617 
1 1 1 17 19 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 19 24 o 58.43892 4.800473 35.01168       5.582600      34.23948       9.018591      35.79099       6.583642      57.55194 7.835175 59.32589 5.548709 -1.773941      9.600945 
1 1 1 17 19 25 f 100.6767 3.103454 102.4421       6.236501      101.2378       9.904156      103.7173       7.580434      99.91650 4.956216 101.4369 3.736526 -1.520409      6.206908 
1 1 1 17 19 26 o 75.97578 3.460110 58.94318       5.324723      67.17540       8.536844      50.71098       6.368981      81.21622 5.255628 70.73535 4.501979 10.48087       6.920219 
1 1 1 17 19 27 o 131.3954 2.741367 174.7751       7.141194      164.5025       11.16520      184.9768       8.919409      127.3378 4.384087 135.4529 3.292438 -8.115112      5.482733 
1 1 1 17 19 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 19 29 o 92.42703 3.097626 87.06872       5.717206      86.21858       8.976085      87.84802       7.080976      91.78459 4.889756 93.06947 3.804134 -1.284882      6.195252 
1 1 1 17 19 30 o 24.18820 6.380658 4.143026       4.543301      0.2911737      7.226208      7.991336       5.504670      21.20005 9.198575 27.17635 8.845192 -5.976294      12.76132 
1 1 1 17 19 31 o 64.12196 3.823097 43.01011       4.910988      44.11529       7.672533      41.89784       6.133776      64.66248 5.932755 63.58144 4.823558 1.081032       7.646195 
1 1 1 17 19 32 o 18.79566 5.884982 -3.395609      4.971206      -10.67637      7.771716      3.882316       6.205329      15.71704 7.658423 21.87428 8.937594 -6.157237      11.76996 
1 1 1 17 19 33 o 23.08660 6.353317 4.584392       4.570222      10.64095       7.212039      -1.469329      5.620148      29.19788 10.11302 16.97532 7.693199 12.22256       12.70663 
1 1 1 17 19 34 o 80.05225 3.220417 67.51546       5.110063      63.80317       7.934660      71.19940       6.445494      77.31460 5.131411 82.78989 3.892682 -5.475296      6.440835 
1 1 1 17 19 35 o 46.26100 4.383113 24.46993       4.082807      31.12937       6.468165      17.81048       4.984667      52.72871 6.133438 39.79329 6.263200 12.93542       8.766227 
1 1 1 17 19 36 o 51.22426 4.330608 30.22255       4.454745      32.94301       6.783425      27.49501       5.775299      53.26999 6.367023 49.17852 5.871770 4.091473       8.661216 
1 1 1 17 20 0  o 163.6373 3.466988 268.3615       11.33523      268.3615       11.33523      268.3615       11.33523      163.6373 3.466988 163.6373 3.466988 0.000000       0.000000 
1 1 1 17 20 1  o 262.4604 2.650087 690.3154       13.91399      676.0756       19.36907      704.5553       19.97834      259.7558 3.728323 265.1650 3.767153 -5.409180      5.300173 
1 1 1 17 20 2  o 141.4304 2.477937 200.5627       7.010130      188.5190       9.649114      212.6064       10.17337      137.1793 3.516972 145.6816 3.491645 -8.502304      4.955873 
1 1 1 17 20 3  o 20.99070 6.023656 1.544425       4.018339      3.455828       5.713664      -0.3669072     5.650611      22.84971 8.812502 19.13169 8.214472 3.718014       12.04731 
1 1 1 17 20 4  f 150.2353 2.667490 226.2086       8.019674      223.0206       10.35048      229.3967       12.26330      149.2017 3.468619 151.2688 4.053480 -2.067047      5.334981 
1 1 1 17 20 5  o 76.28780 3.656790 58.53937       5.545760      63.22224       7.488335      53.85650       8.182618      79.37127 4.717283 73.20433 5.588889 6.166939       7.313579 
1 1 1 17 20 6  o 47.32250 5.908149 23.22305       5.421073      19.17779       7.622942      27.26122       7.715039      42.67573 9.193939 51.96927 7.422695 -9.293541      11.81630 
1 1 1 17 20 7  o 91.32449 4.131409 84.37660       7.431659      96.84536       9.996255      71.90786       10.99517      98.17739 5.090915 84.47160 6.508206 13.70579       8.262817 
1 1 1 17 20 8  o 147.0175 3.146224 217.4239       9.301972      236.8354       14.31781      198.0123       11.87365      153.5656 4.661789 140.4694 4.226418 13.09618       6.292447 
1 1 1 17 20 9  o 81.39288 5.598440 67.49420       8.791886      77.71716       10.05293      57.24999       14.42408      87.85339 5.721425 74.93239 9.624729 12.92100       11.19688 
1 1 1 17 20 10 o 156.2041 3.296455 245.1952       10.32214      251.3587       16.23771      239.1025       12.75922      158.0749 5.136082 154.3333 4.133658 3.741669       6.592910 
1 1 1 17 20 11 o 26.07707 6.814094 4.566680       5.017964      -0.3677573     6.939286      9.500339       7.247461      21.16105 9.095042 30.99309 10.14927 -9.832043      13.62819 
1 1 1 17 20 12 o 215.3854 2.753627 465.7361       11.83114      483.5892       15.87640      447.8832       17.54835      219.5681 3.615372 211.2027 4.154387 8.365402       5.507254 
1 1 1 17 20 13 o 82.74606 3.497316 68.88985       5.779550      69.66206       7.382068      68.11765       8.898154      83.25933 4.433177 82.23280 5.410344 1.026527       6.994632 
1 1 1 17 20 14 o 142.1763 2.765908 203.1840       7.899237      191.6362       9.911241      214.7317       12.31289      138.1816 3.586310 146.1710 4.211812 -7.989410      5.531815 
1 1 1 17 20 15 o 55.54176 4.628088 31.24981       5.113605      32.44001       6.414322      30.06669       7.970083      56.68535 5.657831 54.39817 7.325690 2.287186       9.256176 
1 1 1 17 20 16 o 21.01126 6.195229 -0.9677451     4.722539      4.327223       6.206746      -6.262714      7.119940      24.26389 9.231583 17.75863 8.264462 6.505255       12.39046 
1 1 1 17 20 17 o 23.86404 6.532261 3.457245       4.610604      1.832056       7.488335      5.083141       5.377857      23.56242 9.749600 24.16567 8.696381 -0.6032524     13.06452 
1 1 1 17 20 18 o 99.53215 3.068378 99.82085       6.031050      92.16957       9.606606      107.5430       7.289969      95.58501 5.025164 103.4793 3.522429 -7.894279      6.136756 
1 1 1 17 20 19 o 181.0472 2.650163 329.5009       9.620775      335.2394       15.54343      323.6916       11.33523      182.5014 4.258442 179.5930 3.155810 2.908356       5.300326 
1 1 1 17 20 20 o 62.51352 4.453321 39.70872       5.503962      37.52669       9.018591      41.89784       6.307346      60.60181 7.440859 64.42523 4.895090 -3.823418      8.906643 
1 1 1 17 20 21 o 87.54634 4.484352 79.62997       7.219123      56.03853       11.76738      103.1506       8.352647      73.88833 7.962953 101.2044 4.126625 -27.31602      8.968703 
1 1 1 17 20 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 20 23 o 73.00655 4.088237 54.27449       5.955245      53.75023       9.514507      54.79875       7.169532      72.46400 6.564990 73.54909 4.873978 -1.085091      8.176475 
1 1 1 17 20 24 o 83.21355 3.572670 70.45553       6.014756      77.64632       9.727042      63.25766       7.082392      87.34516 5.568164 79.08195 4.477882 8.263214       7.145339 
1 1 1 17 20 25 o 58.78427 5.015959 35.79099       5.713664      31.67488       9.542846      39.90000       6.285384      54.92271 8.687524 62.64583 5.016603 -7.723125      10.03192 
1 1 1 17 20 26 o 120.7706 2.902265 147.7830       7.059014      156.1428       11.34231      139.4942       8.402238      123.9927 4.573784 117.5485 3.573944 6.444130       5.804531 
1 1 1 17 20 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 20 28 o 78.86383 3.495682 63.88110       5.421782      55.96769       8.274716      71.76617       7.003754      73.70838 5.613145 84.01927 4.167945 -10.31089      6.991364 
1 1 1 17 20 29 o 61.68451 4.102735 39.57412       4.994585      36.48527       7.835476      42.65588       6.196828      58.91394 6.649935 64.45509 4.807090 -5.541145      8.205470 
1 1 1 17 20 30 o 22.95033 6.434274 4.245751       4.404445      4.569514       6.784843      3.921989       5.617314      23.82726 9.493625 22.07339 8.687382 1.753874       12.86855 
1 1 1 17 20 31 o 29.49067 6.239299 9.124859       4.908154      20.12003       7.785885      -1.875272      5.979333      41.31376 9.597809 17.66759 7.974802 23.64617       12.47860 
1 1 1 17 20 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 20 33 o 18.74451 5.904497 -0.1713036     4.531257      2.254294       6.574432      -2.596476      6.237917      20.54552 8.842176 16.94351 7.827405 3.602011       11.80899 
1 1 1 17 20 34 o 64.82350 3.544800 45.91476       4.642484      57.15081       7.382068      34.68580       5.633609      72.82436 5.068406 56.82264 4.957187 16.00172       7.089601 
1 1 1 17 20 35 o 27.67254 5.845426 9.670367       3.875940      6.083476       6.118898      13.25513       4.757962      22.64366 9.017682 32.70141 7.440257 -10.05775      11.69085 
1 1 1 17 20 36 o 23.63591 6.090583 7.856731       3.921989      12.36957       6.192576      3.341059       4.815347      28.64467 9.381614 18.62715 7.769565 10.01752       12.18117 
1 1 1 17 21 0  o 8.941122 6.592802 -15.82681      6.945662      -15.82681      6.945662      -15.82681      6.945662      8.941122 6.592802 8.941122 6.592802 0.000000       0.000000 
1 1 1 17 21 1  o 133.4173 2.905020 178.6007       7.757547      173.3582       10.56302      183.8432       11.36357      131.4679 4.017337 135.3667 4.197328 -3.898773      5.810040 
1 1 1 17 21 2  o 130.0116 2.901206 169.6742       7.559181      159.9684       10.10961      179.4508       11.23604      126.2872 4.002625 133.7360 4.200830 -7.448799      5.802412 
1 1 1 17 21 3  o 27.60915 6.924340 6.769256       4.813221      6.200370       6.429908      7.339560       7.162447      26.65729 9.517361 28.56101 10.06011 -1.903723      13.84868 
1 1 1 17 21 4  o 85.75362 3.456050 74.17490       5.887234      83.17223       8.267632      65.14922       8.388069      91.01084 4.542114 80.49638 5.210215 10.51446       6.912101 
1 1 1 17 21 5  o 72.36513 3.934286 53.19056       5.603854      63.38519       7.849646      42.99594       7.998421      79.41325 4.942278 65.31701 6.122770 14.09624       7.868572 
1 1 1 17 21 6  o 168.5946 2.613410 285.1519       8.798972      294.1492       11.95867      276.1545       12.90799      171.2819 3.490931 165.9073 3.890121 5.374573       5.226820 
1 1 1 17 21 7  o 67.20148 3.558415 45.50386       4.782050      41.46568       6.542552      49.54911       6.976125      64.20658 5.094923 70.19637 4.969007 -5.989792      7.116830 
1 1 1 17 21 8  o 87.56773 3.031958 77.15040       5.300636      83.88069       7.587519      70.42719       7.403321      91.40405 4.150537 83.73141 4.420874 7.672638       6.063917 
1 1 1 17 21 9  o 137.2701 2.786921 189.0858       7.658363      190.5735       11.59027      187.6689       10.00334      137.7624 4.206615 136.7777 3.656787 0.9847107      5.573841 
1 1 1 17 21 10 o 165.8624 3.104924 276.3670       10.28672      274.3834       16.83990      278.3507       11.80989      165.1352 5.098822 166.5896 3.544606 -1.454422      6.209848 
1 1 1 17 21 11 o 20.55714 6.099206 -1.778922      4.697035      -7.877984      6.912364      4.317306       6.360480      16.64168 7.852075 24.47260 9.335213 -7.830919      12.19841 
1 1 1 17 21 12 o 205.7342 2.964138 425.3544       12.19245      431.9431       17.27205      418.8367       17.22246      207.3253 4.165447 204.1430 4.218235 3.182327       5.928276 
1 1 1 17 21 13 o 103.8261 3.099095 108.6057       6.398736      99.46662       9.337394      117.7447       8.756464      99.40610 4.696590 108.2461 4.044701 -8.840042      6.198190 
1 1 1 17 21 14 o 163.5661 2.971558 268.9991       9.719957      275.0210       13.70854      262.9065       13.77939      165.4199 4.143559 161.7123 4.260464 3.707626       5.943117 
1 1 1 17 21 15 o 20.93423 6.344083 -0.1317012     4.769298      0.3171030      6.133776      -0.5805054     7.304138      20.37926 8.647540 21.48919 9.284914 -1.109928      12.68817 
1 1 1 17 21 16 o 115.3724 3.072197 134.2516       7.029259      145.7994       9.266549      122.7038       10.57010      120.4274 3.847360 110.3175 4.790762 10.10986       6.144395 
1 1 1 17 21 17 o 101.3959 3.236977 103.5757       6.560972      104.4966       8.636027      102.5838       9.875818      101.9153 4.236865 100.8766 4.895002 1.038742       6.473953 
1 1 1 17 21 18 o 120.6028 3.055812 146.5787       7.396237      151.6087       11.59735      141.4778       9.181536      122.6027 4.729650 118.6029 3.870705 3.999786       6.111624 
1 1 1 17 21 19 o 106.2025 3.438521 114.1316       7.197870      101.5211       11.03768      126.8129       9.238212      100.1649 5.509753 112.2402 4.115377 -12.07524      6.877042 
1 1 1 17 21 20 o 90.48964 4.026379 83.24309       7.197870      75.02505       10.96683      91.46112       9.330310      85.84751 6.387392 95.13177 4.903887 -9.284264      8.052757 
1 1 1 17 21 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 21 22 o 150.1374 2.930384 227.5547       8.756464      221.1078       13.98484      234.0016       10.54885      147.7994 4.731021 152.4754 3.459197 -4.676010      5.860769 
1 1 1 17 21 23 o 22.44131 6.583606 0.1298592E-01  5.248210      -4.879108      8.125941      4.905321       6.642444      19.84745 9.072534 25.03517 9.542778 -5.187716      13.16721 
1 1 1 17 21 24 o 35.57047 6.827229 13.92108       5.027174      15.00501       7.948828      12.83006       6.153612      36.85431 10.35687 34.28662 8.898280 2.567692       13.65446 
1 1 1 17 21 25 o 70.12216 4.370016 50.59763       6.028925      47.35291       10.01751      53.84941       6.708330      67.43733 7.427272 72.80700 4.606926 -5.369667      8.740031 
1 1 1 17 21 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 21 27 o 81.47861 3.466877 67.97595       5.678241      71.55363       8.954830      64.37701       6.983918      83.45058 5.365350 79.50663 4.392035 3.943947       6.933754 
1 1 1 17 21 28 o 29.21228 6.548494 8.926493       4.570931      5.877316       7.162447      11.97283       5.683908      25.78921 9.886219 32.63536 8.590329 -6.846146      13.09699 
1 1 1 17 21 29 o 57.28814 4.364661 34.64329       4.967664      33.46726       7.792970      35.82641       6.166365      55.89577 6.970983 58.68050 5.254186 -2.784721      8.729322 
1 1 1 17 21 30 o 36.79870 6.424883 16.24480       4.957746      23.88191       7.835476      8.600604       6.074266      45.77202 8.876011 27.82538 9.291553 17.94664       12.84977 
1 1 1 17 21 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 21 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 21 33 o 23.27924 6.233431 5.938243       4.038175      5.271589       6.151486      6.605605       5.232625      22.74964 9.047393 23.80884 8.577142 -1.059206      12.46686 
1 1 1 17 21 34 o 20.90223 5.996233 4.414363       3.928365      4.859979       5.951704      3.968747       5.127774      21.59783 8.776934 20.20664 8.172190 1.391188       11.99247 
1 1 1 17 21 35 o 21.32782 6.022012 5.413989       3.934033      5.385650       6.177700      5.442327       4.872732      21.51987 8.876000 21.13577 8.140954 0.3840981      12.04402 
1 1 1 17 22 0  o 186.1985 4.873760 348.3457       18.12220      348.3457       18.12220      348.3457       18.12220      186.1985 4.873760 186.1985 4.873760 0.000000       0.000000 
1 1 1 17 22 1  o 173.9258 3.132497 304.0675       10.83931      287.7731       16.42900      320.3619       14.14778      169.1843 4.855354 178.6673 3.959253 -9.482986      6.264994 
1 1 1 17 22 2  o 151.1671 2.903324 229.5384       8.763549      216.8571       12.47583      242.2905       12.31289      146.9571 4.244720 155.3771 3.962261 -8.420013      5.806648 
1 1 1 17 22 3  o 77.01167 3.776052 60.04837       5.761838      50.85976       8.154280      69.23699       8.147196      71.04572 5.738755 82.97762 4.909273 -11.93189      7.552104 
1 1 1 17 22 4  o 32.49555 6.780743 11.05185       4.790551      14.24696       7.403321      7.849646       6.085601      36.69944 9.870140 28.29166 9.300228 8.407778       13.56149 
1 1 1 17 22 5  o 46.83238 5.522224 22.76964       4.942160      18.92983       7.410406      26.61653       6.541135      42.31740 9.022715 51.34737 6.369494 -9.029964      11.04445 
1 1 1 17 22 6  o 50.55879 4.479604 25.82307       4.518506      24.26447       6.507129      27.38875       6.269798      49.00509 6.639239 52.11250 6.015638 -3.107407      8.959208 
1 1 1 17 22 7  o 92.17603 2.963078 85.29759       5.464289      83.31393       7.552096      87.35210       7.899237      91.08949 4.145427 93.26257 4.234945 -2.173073      5.926156 
1 1 1 17 22 8  o 106.2839 2.955753 113.4940       6.291760      109.4558       8.345562      117.5322       9.422408      104.4124 3.996442 108.1554 4.355957 -3.743034      5.911507 
1 1 1 17 22 9  o 118.4255 2.837530 141.0527       6.742336      130.6385       8.806056      151.4670       10.21588      114.0669 3.860038 122.7841 4.160097 -8.717148      5.675060 
1 1 1 17 22 10 f 66.08464 3.843443 44.05153       5.078182      43.90984       7.226208      44.18614       7.141194      65.97675 5.476329 66.19254 5.394259 -0.2157822     7.686886 
1 1 1 17 22 11 o 142.5738 2.615861 204.1758       7.459997      198.7916       10.40007      209.4892       10.69762      140.7063 3.695668 144.4414 3.703101 -3.735138      5.231722 
1 1 1 17 22 12 o 80.85404 3.764863 65.98520       6.046636      70.17923       7.856731      61.78408       9.195704      83.50172 4.704532 78.20636 5.879128 5.295364       7.529726 
1 1 1 17 22 13 o 114.3283 3.055418 131.6304       7.012255      141.0527       10.63386      122.2079       9.139028      118.3994 4.490674 110.2571 4.144415 8.142250       6.110837 
1 1 1 17 22 14 o 28.33281 6.785320 7.339560       4.863521      12.35540       7.339560      2.317346       6.387401      34.21165 10.06334 22.45398 9.104478 11.75767       13.57064 
1 1 1 17 22 15 o 46.88490 5.754217 23.34349       5.252461      30.24380       8.019674      16.44317       6.784134      54.49140 7.358661 39.27840 8.848397 15.21300       11.50843 
1 1 1 17 22 16 o 111.7380 3.137679 125.7502       7.032093      130.4968       10.78972      121.0744       9.018591      113.7754 4.741675 109.7005 4.110552 4.074936       6.275358 
1 1 1 17 22 17 o 77.58687 3.894606 60.96227       6.063639      64.12905       9.280719      57.79550       7.807138      79.54749 5.833445 75.62624 5.161660 3.921257       7.789212 
1 1 1 17 22 18 o 47.29836 6.393608 23.81107       5.837643      24.37074       8.791886      23.24430       7.679617      47.73556 9.546339 46.86116 8.507663 0.8743973      12.78722 
1 1 1 17 22 19 o 138.9058 3.097181 194.8242       8.600604      198.7207       12.23496      190.8569       12.10036      140.3138 4.359856 137.4977 4.400203 2.816147       6.194363 
1 1 1 17 22 20 o 124.1873 3.974416 156.9929       9.875818      158.6224       16.23063      155.4343       11.26438      124.4343 6.521770 123.9403 4.544278 0.4939651      7.948833 
1 1 1 17 22 21 o 141.9312 3.121320 203.6090       8.841478      198.2248       13.30472      208.9933       11.64695      139.9354 4.753881 143.9270 4.046131 -3.991592      6.242641 
1 1 1 17 22 22 o 108.6514 3.356268 119.7283       7.325392      126.0336       11.40607      113.4231       9.195704      111.3967 5.119576 105.9062 4.341437 5.490456       6.712535 
1 1 1 17 22 23 o 71.13707 4.574647 52.26957       6.511380      59.19114       9.691620      45.34800       8.699788      75.89329 6.385032 66.38086 6.552934 9.512428       9.149294 
1 1 1 17 22 24 o 53.97976 5.643182 30.61929       6.091268      33.75773       8.919409      27.48793       8.295970      56.78934 7.853065 51.17017 8.106256 5.619175       11.28636 
1 1 1 17 22 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 22 26 o 127.3646 2.888901 164.7859       7.332476      160.3226       11.54776      169.3200       9.025676      125.3554 4.606010 129.3737 3.488219 -4.018326      5.777802 
1 1 1 17 22 27 o 126.7042 2.900669 164.2191       7.445828      182.6389       12.11453      145.7994       8.671450      133.5647 4.535079 119.8437 3.617816 13.72096       5.801339 
1 1 1 17 22 28 o 22.06976 6.447516 2.823889       4.678616      5.485542       7.374983      0.1627314      5.758296      25.25319 9.949311 18.88634 8.203235 6.366850       12.89503 
1 1 1 17 22 29 o 47.92550 5.472872 25.20671       5.077474      24.02360       7.778800      26.39691       6.528384      45.98409 8.772781 49.86690 6.545808 -3.882805      10.94574 
1 1 1 17 22 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 22 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 22 32 o 26.49701 6.134913 7.488335       4.354145      1.599684       6.561680      13.37557       5.724998      20.11005 8.746117 32.88396 8.605468 -12.77390      12.26983 
1 1 1 17 22 33 o 20.03609 5.975957 3.087433       4.116105      3.035007       6.234376      3.139858       5.376441      20.35083 8.679401 19.72135 8.216826 0.6294785      11.95191 
1 1 1 17 22 34 o 17.67799 5.561301 0.8919408E-01  4.155069      -3.076098      6.225874      3.254627       5.503253      15.94363 7.501934 19.41235 8.211776 -3.468724      11.12260 
1 1 1 17 23 0  o 260.8806 3.826791 682.2391       19.95709      682.2391       19.95709      682.2391       19.95709      260.8806 3.826791 260.8806 3.826791 0.000000       0.000000 
1 1 1 17 23 1  o 164.6617 2.533760 272.0455       8.345562      280.1219       11.90199      263.9691       11.69654      167.1096 3.561134 162.2137 3.605286 4.895828       5.067520 
1 1 1 17 23 2  o 79.62478 3.480793 63.79608       5.552136      61.84784       7.332476      65.74432       8.338477      78.43197 4.674418 80.81759 5.158826 -2.385620      6.961585 
1 1 1 17 23 3  o 79.06709 3.490379 62.92469       5.504670      65.46803       7.389152      60.38135       8.161365      80.69937 4.578197 77.43482 5.269828 3.264549       6.980758 
1 1 1 17 23 4  f 105.6920 2.956517 112.2188       6.251379      111.2269       8.494337      113.2106       9.174451      105.2413 4.035646 106.1428 4.321751 -0.9014206     5.913034 
1 1 1 17 23 5  o 204.8476 2.919013 421.7413       11.95158      404.5968       16.94617      438.8859       16.85407      200.6603 4.222601 209.0349 4.031401 -8.374573      5.838027 
1 1 1 17 23 6  o 95.34341 3.404307 91.53197       6.499337      94.72000       9.571183      88.34394       8.791886      96.98857 4.934181 93.69827 4.691596 3.290306       6.808613 
1 1 1 17 23 7  o 21.71298 6.493550 0.6172740      4.875566      2.007752       7.537927      -0.7736292     6.185493      23.81379 9.810403 19.61217 8.510039 4.201612       12.98710 
1 1 1 17 23 8  o 37.12933 6.682409 14.87040       5.081016      19.48242       7.757547      10.25838       6.563097      42.78363 9.324870 31.47503 9.574192 11.30860       13.36482 
1 1 1 17 23 9  o 127.6452 3.019429 163.7941       7.722124      167.1238       11.89491      160.5352       9.847479      128.8712 4.615037 126.4193 3.894770 2.451904       6.038858 
1 1 1 17 23 10 o 78.85219 4.782921 63.60480       7.289969      51.29191       11.28564      75.87518       9.224042      70.95916 7.952205 86.74522 5.316744 -15.78606      9.565843 
1 1 1 17 23 11 o 127.2070 2.978220 162.8022       7.594603      156.5679       9.960832      169.0366       11.46275      124.8075 3.990479 129.6066 4.422132 -4.799141      5.956440 
1 1 1 17 23 12 o 16.43723 5.444458 -6.159280      4.488042      -6.317265      6.308763      -6.000587      6.385275      16.28756 7.638187 16.58689 7.760578 -0.2993298     10.88892 
1 1 1 17 23 13 o 63.29800 4.047248 40.53761       5.122815      38.49018       7.127024      42.59212       7.360813      61.68934 5.776545 64.90665 5.670309 -3.217304      8.094497 
1 1 1 17 23 14 o 39.23385 6.434686 16.49276       4.973331      13.80772       6.997378      19.18487       7.068224      35.94217 9.563832 42.52553 8.611262 -6.583363      12.86937 
1 1 1 17 23 15 o 41.10440 6.283662 17.90258       5.132025      22.23122       7.212039      13.57394       7.304138      46.60241 7.737839 35.60639 9.902700 10.99602       12.56732 
1 1 1 17 23 16 o 56.24115 4.819340 32.28415       5.392735      35.59970       7.552096      28.97568       7.700871      59.19550 6.378944 53.28680 7.225872 5.908707       9.638680 
1 1 1 17 23 17 o 49.80154 6.649990 26.63779       6.422115      30.18713       9.882903      23.09553       8.196787      53.12107 9.659030 46.48201 9.142899 6.639069       13.29998 
1 1 1 17 23 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 23 19 o 27.83750 7.638116 5.375024       6.257754      9.592437       9.365732      1.156193       8.303054      31.84205 11.47464 23.83294 10.08444 8.009113       15.27623 
1 1 1 17 23 20 o 38.59379 7.132430 16.59194       5.993503      25.88683       9.280719      7.297054       7.587519      48.81882 9.850504 28.36875 10.31764 20.45007       14.26486 
1 1 1 17 23 21 o 74.83122 4.967750 58.72357       7.863815      73.18307       14.12653      44.24281       6.919449      83.71027 8.437752 65.95217 5.245808 17.75809       9.935500 
1 1 1 17 23 22 o 26.76438 6.746358 2.604977       5.800803      -5.850394      9.854564      11.05893       6.124566      21.63606 9.932178 31.89270 9.132645 -10.25664      13.49272 
1 1 1 17 23 23 f 61.72318 4.853894 39.97794       5.802220      30.81765       8.536844      49.13822       7.863815      54.21533 7.873091 69.23103 5.679400 -15.01570      9.707788 
1 1 1 17 23 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 23 25 o 61.38133 4.767319 39.46785       5.890777      44.00903       9.103605      34.91959       7.474166      64.81859 7.022373 57.94408 6.449466 6.874512       9.534638 
1 1 1 17 23 26 o 22.62221 6.711318 2.228081       5.139817      2.935824       7.927575      1.520337       6.541135      23.98932 9.985232 21.25511 8.970077 2.734215       13.42264 
1 1 1 17 23 27 o 32.14736 6.784498 11.34231       5.190118      5.535842       7.892153      17.14453       6.738793      25.69537 10.23871 38.59935 8.904298 -12.90398      13.56900 
1 1 1 17 23 28 o 47.53744 5.961802 25.78056       5.553554      33.63729       8.628942      17.93091       6.997378      55.64479 7.753595 39.43009 9.058370 16.21470       11.92360 
1 1 1 17 23 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 23 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 23 31 o 23.10482 6.225837 3.590434       4.638234      -3.382857      6.765715      10.56302       6.345603      17.30066 8.053235 28.90898 9.496821 -11.60832      12.45167 
1 1 1 17 23 32 o 37.23752 5.984290 17.90258       4.707662      9.868733       6.707621      25.92933       6.608438      27.17177 9.718752 47.30327 6.985181 -20.13150      11.96858 
1 1 1 17 23 33 o 19.28275 6.021118 2.118979       4.558887      3.389233       6.942828      0.8487253      5.910613      20.60151 8.978442 17.96398 8.025149 2.637535       12.04224 
1 1 1 17 24 0  o 18.74605 10.88037 4.559595       6.554596      4.559595       6.554596      4.559595       6.554596      18.74605 10.88037 18.74605 10.88037 0.000000       0.000000 
1 1 1 17 24 1  o 90.86691 3.061845 83.10139       5.562055      79.62997       7.778800      86.50197       7.955913      88.98196 4.370999 92.75185 4.288817 -3.769882      6.123690 
1 1 1 17 24 2  o 120.6284 2.956066 146.3661       7.155363      153.6632       10.96683      139.0691       9.195704      123.5976 4.436507 117.6591 3.907774 5.938507       5.912131 
1 1 1 17 24 3  o 26.16661 6.458050 5.758296       4.379649      9.422408       6.150070      2.091350       6.236501      30.24416 9.281839 22.08907 8.981819 8.155083       12.91610 
1 1 1 17 24 4  o 27.46816 6.487985 6.939993       4.369022      3.610979       6.273340      10.26547       6.083476      23.59982 9.206616 31.33651 9.144070 -7.736692      12.97597 
1 1 1 17 24 5  f 88.98195 3.159922 79.70082       5.625107      83.95154       8.147196      75.45012       7.757547      91.35764 4.458957 86.60626 4.478629 4.751373       6.319843 
1 1 1 17 24 6  o 165.2660 2.750302 274.3834       9.082352      276.9338       12.26330      271.7621       13.41099      166.0811 3.691962 164.4509 4.077506 1.630142       5.500604 
1 1 1 17 24 7  o 110.6238 3.022864 123.0581       6.689201      121.0744       9.188620      125.0417       9.727042      109.7446 4.186367 111.5031 4.361783 -1.758514      6.045727 
1 1 1 17 24 8  o 88.26860 3.474611 78.92152       6.079933      89.83168       8.529759      67.96886       8.671450      94.46635 4.514708 82.07084 5.282906 12.39552       6.949222 
1 1 1 17 24 9  o 94.43941 3.398220 90.32761       6.376066      102.5130       9.054014      78.14223       8.983169      100.8878 4.487169 87.99099 5.104596 12.89683       6.796440 
1 1 1 17 24 10 o 134.5222 3.217386 182.2846       8.664365      183.7015       13.02134      180.8677       11.42024      134.9848 4.823264 134.0595 4.259392 0.9252319      6.434772 
1 1 1 17 24 11 o 55.72662 5.989572 31.81657       6.659447      33.20514       9.124859      30.43509       9.705790      57.01074 8.002754 54.44250 8.913799 2.568245       11.97914 
1 1 1 17 24 12 o 92.91187 3.654681 87.49380       6.861355      97.34127       10.88890      77.57547       8.345562      98.10972 5.549350 87.71401 4.757257 10.39571       7.309363 
1 1 1 17 24 13 o 97.03382 3.532726 95.21592       6.902445      103.0797       10.78972      87.42295       8.607689      100.9599 5.343568 93.10777 4.622434 7.852112       7.065452 
1 1 1 17 24 14 o 46.49973 6.650499 22.77672       6.078516      21.86282       9.479085      23.69771       7.608772      44.90466 10.69325 48.09480 7.910183 -3.190136      13.30100 
1 1 1 17 24 15 o 52.99519 6.457033 29.60620       6.582225      26.82199       10.29380      32.38333       8.203872      49.71878 10.66001 56.27161 7.289529 -6.552837      12.91407 
1 1 1 17 24 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 24 17 o 37.86084 7.779502 15.70638       6.245002      16.32981       8.721042      15.08294       8.940661      38.53519 10.85445 37.18649 11.14736 1.348701       15.55900 
1 1 1 17 24 18 o 45.41459 6.248808 22.30915       5.525216      15.44425       7.665448      29.18113       7.962997      37.61276 10.01071 53.21641 7.481712 -15.60365      12.49762 
1 1 1 17 24 19 o 19.55609 6.223348 -3.270922      5.149736      -5.718623      7.075308      -0.8239294     7.488335      17.77957 8.260414 21.33262 9.310520 -3.553051      12.44670 
1 1 1 17 24 20 f 31.41214 7.163702 10.31506       5.214913      7.481250       7.233293      13.14178       7.509589      28.14237 10.08975 34.68191 10.17209 -6.539545      14.32740 
1 1 1 17 24 21 o 132.3394 3.239520 177.7505       8.565183      176.6170       13.25513      178.9549       10.85348      131.7006 5.032297 132.9782 4.080926 -1.277542      6.479041 
1 1 1 17 24 22 o 28.86747 8.309816 0.9606607      9.790804      -5.924074      18.59686      7.842561       6.135900      30.11098 13.74784 27.62396 9.338589 2.487017       16.61963 
1 1 1 17 24 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 24 24 o 131.5247 3.738570 178.1756       10.00334      192.0613       17.69713      164.2900       9.323226      135.7261 6.519429 127.3234 3.661238 8.402672       7.477140 
1 1 1 17 24 25 o 49.33521 5.421127 26.07811       5.396986      28.72064       8.600604      23.43558       6.526966      51.55263 8.341578 47.11779 6.926223 4.434837       10.84225 
1 1 1 17 24 26 o 72.31703 4.042601 55.04670       5.916281      61.07563       9.557014      49.02486       6.974707      75.93009 6.293298 68.70398 5.075912 7.226112       8.085202 
1 1 1 17 24 27 o 102.9299 3.358403 109.4558       6.947078      114.5566       11.02351      104.3549       8.451830      104.9704 5.250772 100.8894 4.188661 4.080971       6.716806 
1 1 1 17 24 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 24 29 o 27.83831 13.28801 -3.402694      20.49551      -3.402694      20.49551      ?              ?             27.83831 13.28801 ?        ?        ?              ?        
1 1 1 17 24 30 o 19.86400 6.369502 -0.9521592     5.514588      -1.735707      8.140111      -0.1683990     7.445828      19.80063 9.063339 19.92736 8.951989 -0.1267242     12.73900 
1 1 1 17 24 31 o 26.81626 6.366087 7.481250       5.180908      20.67971       8.225125      -5.714372      6.303804      38.40603 10.43710 15.22648 7.292131 23.17955       12.73217 
1 1 1 17 24 32 f 44.19322 5.903366 25.59636       5.108645      33.29723       7.764632      17.89549       6.644569      52.29173 7.424341 36.09471 9.180309 16.19701       11.80673 
1 1 1 17 24 33 o 45.16901 5.566694 26.93534       4.946410      30.19422       7.991336      23.67646       5.832684      46.29572 8.950175 44.04230 6.621684 2.253414       11.13339 
1 1 1 17 25 0  f 132.3153 3.953879 175.9794       10.44258      175.9794       10.44258      175.9794       10.44258      132.3153 3.953879 132.3153 3.953879 0.000000       0.000000 
1 1 1 17 25 1  o 137.2574 3.139245 189.6525       8.600604      182.8514       12.75922      196.4537       11.52651      134.7359 4.734900 139.7789 4.123123 -5.043030      6.278489 
1 1 1 17 25 2  o 117.6950 2.914398 139.2816       6.862064      142.8239       9.868733      135.8102       9.535762      119.1735 4.140490 116.2165 4.102585 2.957016       5.828796 
1 1 1 17 25 3  f 69.36330 3.884385 48.62104       5.386359      46.82866       7.537927      50.41343       7.700871      68.07885 5.536174 70.64774 5.450189 -2.568893      7.768770 
1 1 1 17 25 4  o 89.39095 3.319125 80.90520       5.890777      69.71873       8.324308      92.09874       8.338477      83.13251 5.006650 95.64939 4.358877 -12.51688      6.638249 
1 1 1 17 25 5  o 57.15724 4.561389 33.30432       5.173115      28.82690       7.367898      37.78173       7.261631      53.23438 6.920245 61.08010 5.944350 -7.845726      9.122778 
1 1 1 17 25 6  o 80.00714 3.530419 64.80917       5.627941      72.47462       8.076350      57.12955       7.842561      84.79174 4.762463 75.22254 5.212906 9.569199       7.060839 
1 1 1 17 25 7  o 64.88414 4.288292 42.72673       5.568431      38.63188       7.537927      46.82158       8.196787      61.76276 6.102324 68.00552 6.026561 -6.242756      8.576584 
1 1 1 17 25 8  o 51.40252 5.218424 27.70046       5.073932      20.68679       7.254546      34.71414       7.091603      44.24991 8.500517 58.55513 6.055492 -14.30521      10.43685 
1 1 1 17 25 9  o 60.88333 4.751064 37.72506       5.805762      40.38884       8.820225      35.06128       7.552096      62.99345 7.000906 58.77321 6.424778 4.220245       9.502129 
1 1 1 17 25 10 o 58.22109 4.934944 34.65746       5.755462      30.71138       7.672533      38.60354       8.579351      54.89430 6.988460 61.54788 6.969656 -6.653580      9.869887 
1 1 1 17 25 11 o 28.43961 6.630272 5.717914       5.241126      14.74288       7.374983      -3.308470      7.445828      37.03600 9.801918 19.84323 8.931092 17.19277       13.26054 
1 1 1 17 25 12 o 80.44553 4.006826 65.90726       6.399445      75.94603       9.124859      55.88268       8.969000      86.67191 5.264023 74.21915 6.042241 12.45277       8.013652 
1 1 1 17 25 13 o 59.18406 5.425428 36.04602       6.419991      32.04327       8.721042      40.04878       9.422408      55.86168 7.805925 62.50645 7.537149 -6.644775      10.85086 
1 1 1 17 25 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 25 15 o 86.13396 4.818962 76.51279       8.359732      86.50197       12.95758      66.50237       10.56302      91.70465 7.064845 80.56328 6.555726 11.14137       9.637924 
1 1 1 17 25 16 o 45.37015 7.309500 22.49334       6.542552      22.03993       10.33631      22.95384       8.019674      44.53778 11.52026 46.20251 8.999939 -1.664734      14.61900 
1 1 1 17 25 17 o 45.41221 6.908396 22.13912       6.209579      19.24155       9.613690      25.04377       7.863815      41.66144 11.26679 49.16298 7.997699 -7.501541      13.81679 
1 1 1 17 25 18 o 34.24319 7.505587 12.50417       5.762547      10.95267       8.784801      14.05568       7.459997      32.67863 11.17398 35.80776 10.02385 -3.129131      15.01117 
1 1 1 17 25 19 o 73.42735 4.559645 55.52136       6.641027      51.63196       10.10961      59.41077       8.614774      70.61398 7.158361 76.24073 5.649719 -5.626755      9.119290 
1 1 1 17 25 20 o 43.85835 6.839900 21.26772       5.869523      20.69388       9.046929      21.83448       7.481250      42.89520 10.59420 44.82151 8.654467 -1.926304      13.67980 
1 1 1 17 25 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 25 22 o 19.43870 6.197260 -3.082474      5.170281      -6.262714      7.040594      0.9783719E-01  7.573349      17.19014 8.062822 21.68727 9.413556 -4.497135      12.39452 
1 1 1 17 25 23 o 36.49485 6.827898 14.73580       5.448702      9.592437       8.678535      19.88624       6.592144      30.44162 11.03816 42.54807 8.039886 -12.10645      13.65580 
1 1 1 17 25 24 o 28.35783 8.045485 7.707955       7.219123      12.44041       12.90799      2.979748       6.480209      34.31778 13.24348 22.39787 9.139452 11.91991       16.09097 
1 1 1 17 25 25 o 25.04451 7.530861 2.102685       7.212039      -1.052051      12.63878      5.258129       6.943536      25.53006 11.55525 24.55896 9.660836 0.9710999      15.06172 
1 1 1 17 25 26 o 63.08141 6.440837 0.000000       0.000000      ?              ?             42.28040       8.125941      ?        ?        63.08141 6.440837 ?              ?        
1 1 1 17 25 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 25 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 25 29 o 22.89917 6.702332 4.728208       5.083850      8.543928       8.288886      0.9153197      5.887943      26.90108 10.56385 18.89727 8.251676 8.003815       13.40466 
1 1 1 17 25 30 o 34.97277 6.729690 16.36524       4.949244      15.49384       7.828392      17.23663       6.061513      32.90181 10.53475 37.04374 8.376991 -4.141922      13.45938 
1 1 1 17 25 31 o 17.99308 5.796744 -0.7828392     4.712621      -4.072889      6.826642      2.507919       6.498628      16.27191 7.732424 19.71425 8.638205 -3.442339      11.59349 
1 1 1 17 25 32 o 17.94582 5.708300 1.338265       4.317306      3.541550       6.381733      -0.8650196     5.817098      19.62440 8.579769 16.26724 7.531686 3.357162       11.41660 
1 1 1 17 26 0  o 54.80101 7.031227 31.73155       7.502505      31.73155       7.502505      31.73155       7.502505      54.80101 7.031227 54.80101 7.031227 0.000000       0.000000 
1 1 1 17 26 1  o 35.77016 6.613567 13.64478       4.978291      19.00068       7.148279      8.281801       6.927242      42.29986 8.746454 29.24046 9.922529 13.05940       13.22713 
1 1 1 17 26 2  o 19.64515 6.136398 -1.852602      4.741668      -1.045675      6.889693      -2.659528      6.515631      20.50079 8.939193 18.78952 8.409064 1.711275       12.27280 
1 1 1 17 26 3  o 116.7200 2.970399 137.0854       6.934327      134.8892       9.826226      139.2816       9.783719      115.7776 4.243577 117.6624 4.157540 -1.884720      5.940798 
1 1 1 17 26 4  o 75.45225 3.699951 57.49794       5.583308      57.75299       7.849646      57.23582       7.941744      75.62796 5.189646 75.27654 5.275046 0.3514252      7.399901 
1 1 1 17 26 5  o 108.5627 3.103251 118.7365       6.736668      121.7829       9.634944      115.6902       9.422408      109.9569 4.381235 107.1685 4.396071 2.788422       6.206502 
1 1 1 17 26 6  o 38.48918 7.101816 15.90474       5.581892      18.33473       7.566265      13.47475       8.203872      41.33396 9.367493 35.64440 10.67676 5.689564       14.20363 
1 1 1 17 26 7  o 196.6929 2.928962 389.7193       11.55485      371.6538       15.03335      407.7848       17.54835      192.2034 3.910790 201.1823 4.361306 -8.978882      5.857924 
1 1 1 17 26 8  o 122.7331 3.488212 152.0338       8.551013      150.7585       13.34015      153.3798       10.70471      122.0729 5.464008 123.3933 4.337637 -1.320374      6.976423 
1 1 1 17 26 9  o 78.75806 4.421172 63.01678       6.941411      60.55138       10.37882      65.47511       9.224042      77.12370 6.728683 80.39242 5.736886 -3.268715      8.842343 
1 1 1 17 26 10 o 80.62628 4.631052 66.46694       7.360813      75.30843       9.847479      57.63964       10.94558      86.18063 5.713279 75.07194 7.290061 11.10869       9.262103 
1 1 1 17 26 11 o 37.36147 7.375441 13.85732       6.709747      26.06394       9.500339      1.650693       9.479085      49.04770 10.03113 25.67523 10.81503 23.37247       14.75088 
1 1 1 17 26 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 26 13 o 79.14113 4.562050 64.53996       7.176617      75.30843       10.42841      53.77149       9.861650      85.89330 6.070561 72.38897 6.811569 13.50433       9.124100 
1 1 1 17 26 14 f 29.80794 7.620478 7.998421       5.924782      10.17337       8.083434      5.826308       8.664365      31.69067 10.71865 27.92521 10.83500 3.765457       15.24096 
1 1 1 17 26 15 o 35.73067 7.561557 13.87857       5.841893      12.12869       7.807138      15.62845       8.692703      33.69250 10.48176 37.76884 10.90143 -4.076332      15.12311 
1 1 1 17 26 16 o 23.18528 6.909191 1.263878       5.489793      2.377564       7.545012      0.1505460      7.977167      23.74669 9.803730 22.62387 9.738303 1.122822       13.81838 
1 1 1 17 26 17 o 35.04356 6.789967 13.05677       5.561347      3.357353       7.502505      22.76256       8.210957      24.42697 9.882545 45.66015 9.313964 -21.23318      13.57993 
1 1 1 17 26 18 o 87.86876 3.758352 78.85069       6.606313      78.07139       9.011506      79.55913       9.663282      87.50914 5.148894 88.22839 5.476289 -0.7192459     7.516705 
1 1 1 17 26 19 o 39.63555 6.871833 17.67587       5.462872      13.88566       7.495420      21.46609       7.948828      35.24364 10.10674 44.02746 9.313551 -8.783825      13.74367 
1 1 1 17 26 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 26 21 o 48.47055 6.959544 26.44650       6.615522      33.51685       9.351563      19.37616       9.358648      56.04477 8.342940 40.89633 11.14165 15.14844       13.91909 
1 1 1 17 26 22 f 56.93214 5.971807 35.15338       6.790511      31.91575       9.365732      38.38392       9.840395      54.20737 8.638800 59.65691 8.247490 -5.449535      11.94361 
1 1 1 17 26 23 o 40.63373 7.007123 18.54018       6.807514      4.176323       9.847479      32.90050       9.401155      26.47627 11.08145 54.79118 8.579077 -28.31491      14.01425 
1 1 1 17 26 24 o 23.55519 7.089332 -0.5919823     6.458246      -9.316141      9.316141      8.133026       8.947746      18.68475 8.928274 28.42564 11.01455 -9.740891      14.17866 
1 1 1 17 26 25 f 29.78551 8.219764 9.365732       7.445828      3.440950       10.67637      15.29548       10.38590      25.51323 11.12629 34.05780 12.10222 -8.544563      16.43953 
1 1 1 17 26 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 26 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 26 28 o 16.84446 5.773741 -8.090520      6.131650      -11.25730      10.89599      -4.920906      5.630066      18.85035 9.155240 14.83856 7.037466 4.011789       11.54748 
1 1 1 17 26 29 o 23.00203 6.910461 4.534800       6.011213      3.495501       10.47800      5.573390       5.892194      23.51435 10.58842 22.48970 8.882755 1.024647       13.82092 
1 1 1 17 26 30 o 58.00912 6.217947 44.10112       7.059014      51.22815       12.49709      36.97410       6.575140      58.84085 11.02685 57.17738 5.749774 1.663471       12.43589 
1 1 1 17 26 31 o 38.09171 6.386739 21.17562       5.291427      15.51509       8.551013      26.83615       6.235084      29.27274 10.90855 46.91069 6.645697 -17.63795      12.77348 
1 1 1 17 27 0  o 20.08753 11.54046 5.473498       7.268716      5.473498       7.268716      5.473498       7.268716      20.08753 11.54046 20.08753 11.54046 0.000000       0.000000 
1 1 1 17 27 1  o 58.25588 4.924255 35.05420       5.679658      43.23681       8.409323      26.87158       7.637110      65.22689 6.446209 51.28487 7.445774 13.94202       9.848511 
1 1 1 17 27 2  o 30.38467 7.287535 8.827310       5.391318      5.946036       7.672533      11.70362       7.573349      27.33841 10.30406 33.43093 10.30820 -6.092514      14.57507 
1 1 1 17 27 3  o 41.14446 6.750875 18.20012       5.456496      18.56144       8.005506      17.83882       7.417490      41.51144 9.789952 40.77748 9.298070 0.7339592      13.50175 
1 1 1 17 27 4  o 72.35591 4.212858 53.14097       6.094810      56.14481       8.763549      50.13005       8.473083      74.41684 5.888149 70.29499 6.026805 4.121849       8.425715 
1 1 1 17 27 5  o 70.54100 4.550984 50.77474       6.394486      44.87334       8.947746      56.67614       9.139028      66.37064 6.740742 74.71136 6.116225 -8.340721      9.101968 
1 1 1 17 27 6  o 151.3099 3.211706 231.1678       9.741212      217.4947       12.95050      244.9118       14.55160      146.8589 4.409164 155.7609 4.671133 -8.902054      6.423411 
1 1 1 17 27 7  o 112.5291 3.704535 128.3715       8.324308      135.4560       11.73196      121.2869       11.81698      115.6822 5.070771 109.3760 5.401999 6.306267       7.409070 
1 1 1 17 27 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 27 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 27 10 o 84.42352 4.856288 73.18307       8.189702      74.59997       11.13686      71.76617       12.01534      85.34801 6.524383 83.49903 7.194900 1.848984       9.712577 
1 1 1 17 27 11 o 21.78401 6.830745 -2.434240      5.979333      -0.1727914     8.522675      -4.696327      8.388069      23.21130 10.02928 20.35672 9.276309 2.854588       13.66149 
1 1 1 17 27 12 o 46.25074 6.646957 23.16637       5.933992      21.31731       8.465999      25.02252       8.317224      44.21463 9.831354 48.28686 8.948332 -4.072227      13.29391 
1 1 1 17 27 13 o 45.38526 6.700176 22.43667       5.892902      19.60286       8.529759      25.27047       8.133026      42.21443 10.20159 48.55609 8.688903 -6.341660      13.40035 
1 1 1 17 27 14 o 90.17665 3.674839 82.67632       6.627566      82.25125       9.379901      83.17223       9.365732      89.92015 5.215684 90.43314 5.178263 -0.5129929     7.349678 
1 1 1 17 27 15 o 35.00412 7.346828 13.33306       5.661238      9.386987       7.934660      17.28622       8.076350      30.54104 10.60475 39.46719 10.17068 -8.926149      14.69366 
1 1 1 17 27 16 o 54.44223 5.475364 31.00185       5.950995      28.17513       8.303054      33.82858       8.522675      51.87724 8.002600 57.00723 7.475082 -5.129993      10.95073 
1 1 1 17 27 17 o 81.08228 3.970704 67.45170       6.436993      69.27242       9.103605      65.63097       9.103605      82.20503 5.537134 79.95951 5.692635 2.245522       7.941407 
1 1 1 17 27 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 27 19 o 47.39150 7.345464 25.65304       6.814599      22.77672       8.621859      28.52935       10.55593      44.92458 9.864288 49.85842 10.88665 -4.933842      14.69093 
1 1 1 17 27 20 o 57.19655 6.059904 35.69889       6.978250      28.69938       8.756464      42.70547       10.86765      51.57138 8.489654 62.82172 8.649596 -11.25034      12.11981 
1 1 1 17 27 21 o 37.78392 7.490357 15.95433       6.579392      24.68246       8.628942      7.233293       9.932493      46.57380 9.591959 28.99403 11.50722 17.57977       14.98071 
1 1 1 17 27 22 o 51.19954 6.418012 29.84707       6.370398      33.26181       8.756464      26.42525       9.252379      55.12778 7.941971 47.27130 10.08408 7.856480       12.83602 
1 1 1 17 27 23 f 91.72911 3.991429 88.06055       7.325392      87.77718       10.49926      88.27309       10.20879      91.53460 5.735130 91.92362 5.552866 -0.3890228     7.982859 
1 1 1 17 27 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 27 25 o 28.56282 7.654390 10.08835       6.132358      14.04860       9.259464      6.133776       8.048012      32.14655 11.42669 24.97909 10.18772 7.167463       15.30878 
1 1 1 17 27 26 o 36.66045 8.124129 19.24864       6.980375      13.15595       9.953747      25.34840       9.783719      30.67156 11.68444 42.64934 11.29069 -11.97778      16.24826 
1 1 1 17 27 27 o 16.55222 5.580226 -6.390944      5.151153      -9.571183      7.247461      -3.209286      7.325392      15.17844 7.395915 17.92600 8.357998 -2.747559      11.16045 
1 1 1 17 27 28 o 20.89776 6.477955 1.943992       5.370772      -0.8303055     8.210957      4.718289       6.927242      19.62630 9.033302 22.16921 9.287360 -2.542912      12.95591 
1 1 1 17 27 29 o 20.50790 6.462534 1.340391       5.622982      7.039886       7.913406      -4.358396      7.991336      23.67254 9.922219 17.34326 8.282933 6.329279       12.92507 
1 1 1 17 27 30 o 25.20214 7.982598 14.48075       8.288886      28.23180       14.74288      0.7304138      7.580434      31.84309 13.45393 18.56120 8.595310 13.28190       15.96520 
1 1 1 17 28 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 28 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 28 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 28 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 28 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 28 5  o 48.57018 7.559070 26.18438       7.190785      32.09286       10.24421      20.27589       10.09544      54.46811 9.757039 42.67226 11.54809 11.79585       15.11814 
1 1 1 17 28 6  o 55.48174 5.964136 32.02911       6.614814      30.53427       9.266549      33.51685       9.443663      54.15870 8.554996 56.80478 8.312384 -2.646072      11.92827 
1 1 1 17 28 7  o 76.85963 5.185758 60.81350       7.977167      61.51487       12.56085      60.11213       9.833311      77.04433 8.151703 76.67493 6.412337 0.3694000      10.37152 
1 1 1 17 28 8  o 67.04153 5.357754 46.70114       7.029259      38.19972       10.35048      55.20256       9.514507      60.61697 8.537609 73.46608 6.475443 -12.84911      10.71551 
1 1 1 17 28 9  o 124.4015 3.309192 156.9221       8.246379      169.3908       12.19954      144.3825       11.09435      129.3556 4.715506 119.4475 4.644031 9.908081       6.618385 
1 1 1 17 28 10 o 80.53159 4.220660 66.31109       6.785551      61.11105       9.528677      71.48279       9.663282      77.32349 6.161567 83.73969 5.769835 -6.416199      8.441320 
1 1 1 17 28 11 o 31.76476 7.179020 9.882903       5.607396      3.434574       7.927575      16.32981       7.934660      25.04057 10.14717 38.48894 10.15816 -13.44837      14.35804 
1 1 1 17 28 12 o 50.74409 5.990442 27.61545       5.870231      22.07536       8.125941      33.14846       8.473083      44.95829 9.347539 56.52990 7.494338 -11.57162      11.98088 
1 1 1 17 28 13 o 44.70436 6.289741 22.72713       5.656280      36.25856       8.267632      9.202788       7.722124      59.20850 6.981795 30.20023 10.46412 29.00827       12.57948 
1 1 1 17 28 14 o 80.38969 4.050453 66.21899       6.514214      65.19882       9.124859      67.23916       9.294888      79.77344 5.719234 81.00596 5.737163 -1.232521      8.100906 
1 1 1 17 28 15 o 82.39133 5.017044 70.91602       8.168448      63.52687       12.25622      78.28393       10.80389      77.70025 7.886858 87.08240 6.203257 -9.382149      10.03409 
1 1 1 17 28 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 28 17 o 47.99747 7.112083 25.88683       6.721082      31.41275       9.160281      20.36799       9.840395      54.20146 8.450217 41.79348 11.44206 12.40798       14.22417 
1 1 1 17 28 18 o 41.00116 7.204085 19.40449       6.004128      24.69663       8.501422      14.11236       8.480167      46.91130 9.392777 35.09101 10.92571 11.82030       14.40817 
1 1 1 17 28 19 o 89.74087 3.784914 83.24309       6.794053      82.53463       9.436578      83.88069       9.776634      89.41857 5.276632 90.06316 5.427655 -0.6445923     7.569827 
1 1 1 17 28 20 o 37.25753 7.213363 16.40774       5.537968      15.67804       7.870899      17.13745       7.792970      36.38121 10.33251 38.13386 10.06825 -1.752647      14.42673 
1 1 1 17 28 21 o 34.18174 7.586207 14.11236       5.815681      11.90907       8.055097      16.31564       8.388069      31.77856 10.69984 36.58492 10.75712 -4.806356      15.17241 
1 1 1 17 28 22 o 48.94096 7.100223 28.64271       6.786260      35.61387       8.721042      21.67154       10.40007      56.90810 7.662391 40.97382 11.95577 15.93428       14.20045 
1 1 1 17 28 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 28 24 o 33.52061 8.050033 14.75705       6.575140      17.09494       8.784801      12.41916       9.783719      35.91514 11.10775 31.12608 11.65461 4.789063       16.10007 
1 1 1 17 28 25 o 20.61182 6.601251 -3.360895      6.531217      3.068305       7.183701      -9.790804      10.91016      21.85433 9.318602 19.36932 9.352526 2.485006       13.20250 
1 1 1 17 28 26 o 20.63861 6.326950 2.422197       4.828099      2.237999       6.898195      2.606394       6.755795      20.56708 8.956594 20.71014 8.938713 -0.1430664     12.65390 
1 1 1 17 28 27 o 17.36622 5.809641 -3.933325      5.404778      -5.401237      8.657280      -2.466121      6.468873      17.90036 8.566177 16.83208 7.850370 1.068275       11.61928 
1 1 1 17 28 28 o 29.10109 7.104572 12.85132       5.064722      12.50417       7.587519      13.19846       6.714706      28.38272 10.31814 29.81945 9.769118 -1.436728      14.20914 
1 1 1 17 29 0  o 50.02121 9.963465 28.28139       8.862731      28.28139       8.862731      28.28139       8.862731      50.02121 9.963465 50.02121 9.963465 0.000000       0.000000 
1 1 1 17 29 1  o 34.25006 7.213677 11.85948       5.886526      3.822805       8.260548      19.90041       8.388069      25.83703 10.40408 42.66309 9.995177 -16.82607      14.42735 
1 1 1 17 29 2  o 28.00335 7.497890 6.306637       5.807179      4.490876       8.175533      8.125941       8.253463      26.30254 10.43967 29.70416 10.76507 -3.401615      14.99578 
1 1 1 17 29 3  o 29.43462 7.599821 7.594603       5.935409      4.505753       8.352647      10.67637       8.437660      26.49397 10.54064 32.37526 10.95098 -5.881281      15.19964 
1 1 1 17 29 4  o 77.29211 4.405188 61.34484       6.779883      52.60254       9.351563      70.09422       9.819141      71.67522 6.523569 82.90902 5.921637 -11.23380      8.810376 
1 1 1 17 29 5  o 41.88244 5.971528 19.28406       5.822057      38.53978       8.522675      0.2709828E-01  7.934660      61.23195 6.959337 22.53292 9.705884 38.69902       11.94306 
1 1 1 17 29 6  o 35.34629 7.530740 13.43933       5.917697      17.47751       8.444746      9.401155       8.288886      39.79532 10.46886 30.89727 10.82826 8.898054       15.06148 
1 1 1 17 29 7  o 63.69950 5.030088 42.03953       6.384568      47.79924       9.259464      36.28690       8.791886      68.16623 6.791827 59.23278 7.421471 8.933449       10.06018 
1 1 1 17 29 8  o 92.22002 3.834614 86.64365       7.069641      88.55647       9.861650      84.80168       10.13086      93.26160 5.287090 91.17843 5.555514 2.083168       7.669228 
1 1 1 17 29 9  o 34.39647 7.868058 12.77339       6.204620      10.68345       8.168448      14.87040       9.337394      32.03373 10.77486 36.75920 11.46856 -4.725475      15.73612 
1 1 1 17 29 10 o 42.10551 7.023009 19.68079       5.846852      22.68463       8.175533      16.67695       8.359732      45.53833 9.298203 38.67268 10.52778 6.865650       14.04602 
1 1 1 17 29 11 o 71.42804 5.050964 53.12680       7.219123      47.08371       9.712874      59.16280       10.68345      67.32898 7.212997 75.52709 7.072596 -8.198112      10.10193 
1 1 1 17 29 12 o 31.62197 7.835113 9.649114       6.475249      3.345309       8.742295      15.95433       9.557014      25.62409 10.56215 37.61984 11.57571 -11.99575      15.67023 
1 1 1 17 29 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 29 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 29 15 o 68.49330 5.131280 49.34367       6.978959      45.12130       10.28672      53.56604       9.429493      65.26360 7.880902 71.72300 6.573549 -6.459404      10.26256 
1 1 1 17 29 16 o 27.75727 7.313157 6.775633       5.686742      2.135274       7.856731      11.41316       8.225125      23.39626 9.850175 32.11827 10.81217 -8.722010      14.62631 
1 1 1 17 29 17 o 19.61630 6.297442 -3.962371      5.508921      0.9911241E-01  7.693786      -8.026759      7.885069      21.66959 9.447662 17.56301 8.329034 4.106583       12.59488 
1 1 1 17 29 18 o 33.98270 7.125686 13.04968       5.627233      19.47534       7.785885      6.624024       8.125941      40.97867 9.648581 26.98672 10.48840 13.99195       14.25137 
1 1 1 17 29 19 o 23.22012 7.005920 2.060178       5.788759      3.870272       7.899237      0.2505085      8.465999      24.19158 10.01195 22.24865 9.802685 1.942930       14.01184 
1 1 1 17 29 20 o 57.38615 5.817991 36.18063       6.681408      35.08961       9.103605      37.27165       9.783719      56.63881 8.036543 58.13350 8.414871 -1.494686      11.63598 
1 1 1 17 29 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 29 22 o 23.31914 7.307219 0.4230165      7.233293      5.618022       8.855647      -4.772131      11.43441      24.99872 10.48803 21.63956 10.17757 3.359163       14.61444 
1 1 1 17 29 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 29 24 o 30.88573 7.717265 13.04968       6.076391      8.345562       7.693786      17.75380       9.408240      26.47352 10.22282 35.29795 11.56368 -8.824438      15.43453 
1 1 1 17 29 25 o 24.07298 7.262196 6.315848       6.283259      3.979374       6.658739      8.650196       10.65512      21.56852 9.073816 26.57744 11.34124 -5.008923      14.52439 
1 1 1 17 29 26 o 31.04543 7.279904 14.31073       5.518131      15.64970       6.735251      12.96467       8.742295      33.30396 9.590359 28.78690 10.95505 4.517054       14.55981 
1 1 1 17 29 27 f 20.69548 6.330111 3.326181       5.051261      9.386987       7.686701      -2.732499      6.552470      25.06115 10.05916 16.32981 7.687295 8.731339       12.66022 
1 1 1 17 30 0  o 24.13779 12.64629 9.039845       7.948828      9.039845       7.948828      9.039845       7.948828      24.13779 12.64629 24.13779 12.64629 0.000000       0.000000 
1 1 1 17 30 1  o 68.57652 4.642637 48.50770       6.345603      53.56604       9.032760      43.44935       8.912323      72.25146 6.250919 64.90159 6.866028 7.349876       9.285275 
1 1 1 17 30 2  o 21.21407 6.546664 -2.160069      5.490501      2.887649       7.750463      -7.204955      7.778800      24.33926 9.973938 18.08887 8.482676 6.250387       13.09333 
1 1 1 17 30 3  o 48.82981 6.322598 25.75931       5.990668      30.91683       8.579351      20.60178       8.366816      54.46397 7.876171 43.19565 9.892773 11.26833       12.64520 
1 1 1 17 30 4  o 44.34783 6.947877 21.74947       6.014756      19.12820       8.395153      24.36366       8.614774      41.49038 10.17981 47.20528 9.458514 -5.714897      13.89575 
1 1 1 17 30 5  o 57.91566 5.591093 35.47926       6.441952      27.34624       8.487252      43.60521       9.691620      51.06403 8.310403 64.76730 7.481878 -13.70328      11.18219 
1 1 1 17 30 6  o 57.82391 5.518818 35.08961       6.331434      40.28257       9.018591      29.88958       8.891070      62.29944 7.238099 53.34838 8.333026 8.951057       11.03764 
1 1 1 17 30 7  o 51.70645 7.491665 31.78823       8.104689      51.61780       13.00717      11.95867       9.677451      69.61282 9.342514 33.80008 11.71399 35.81273       14.98333 
1 1 1 17 30 8  o 27.47951 7.636606 4.158612       6.590727      -2.478164      9.245295      10.79680       9.394071      22.46012 10.03521 32.49891 11.51371 -10.03878      15.27321 
1 1 1 17 30 9  o 41.95047 8.062554 20.19088       7.017923      23.37891       9.755382      17.00284       10.08835      45.31050 10.88492 38.59044 11.89696 6.720062       16.12511 
1 1 1 17 30 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 30 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 30 12 o 44.85529 6.882227 22.66337       5.999169      21.96909       8.402238      23.35765       8.565183      44.13460 9.777995 45.57597 9.687673 -1.441376      13.76445 
1 1 1 17 30 13 o 59.77776 5.319702 37.83133       6.339226      34.21114       8.912323      41.45152       9.018591      56.76962 7.849554 62.78591 7.182019 -6.016293      10.63940 
1 1 1 17 30 14 o 85.37788 3.999998 75.59180       6.823808      78.85069       9.663282      72.33293       9.642029      87.28295 5.535607 83.47281 5.775551 3.810143       7.999996 
1 1 1 17 30 15 o 58.59674 5.386983 37.15121       6.174866      46.21231       8.855647      28.09011       8.607689      66.27455 6.681031 50.91893 8.452348 15.35563       10.77397 
1 1 1 17 30 16 o 39.17444 6.563775 17.74672       5.972957      4.446243       8.104689      31.05144       8.777717      25.05999 10.22259 53.28889 8.235974 -28.22889      13.12755 
1 1 1 17 30 17 o 34.36788 7.710452 14.32489       6.040968      11.20062       8.380984      17.44917       8.706873      31.04846 10.88758 37.68730 10.92085 -6.638845      15.42090 
1 1 1 17 30 18 o 22.31250 7.085460 -1.484915      6.594978      -1.586932      9.592437      -1.382898      9.054014      22.55313 10.14467 22.07188 9.894472 0.4812469      14.17092 
1 1 1 17 30 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 30 20 o 46.00848 10.36987 47.65755       14.37449      57.97261       15.60011      37.34958       24.15112      57.95084 13.66581 34.06611 15.60072 23.88474       20.73974 
1 1 1 17 30 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 30 22 o 21.12348 6.466815 -0.9967917E-01 5.469248      6.277591       7.261631      -6.476666      8.182618      24.57373 9.811945 17.67323 8.426417 6.900503       12.93363 
1 1 1 17 30 23 o 36.20349 7.157916 17.87424       5.394152      16.97450       7.176617      18.77397       8.055097      35.61772 9.780337 36.78927 10.45409 -1.171551      14.31583 
1 1 1 17 30 24 o 17.62781 5.735446 -3.375773      4.920906      2.843725       6.871274      -9.592437      7.046970      20.62041 8.958785 14.63522 7.163908 5.985187       11.47089 
1 1 1 17 30 25 o 28.21149 7.365317 12.17829       5.635026      12.09327       6.800429      12.27038       8.990252      28.65479 9.830253 27.76818 10.97077 0.8866119      14.73063 
1 1 1 17 30 26 o 18.49044 5.915932 1.625188       4.684991      1.077555       6.118190      2.172822       7.098687      17.78209 8.044499 19.19878 8.676349 -1.416695      11.83186 
1 1 1 17 31 0  o 47.85261 10.47829 26.72280       8.770633      26.72280       8.770633      26.72280       8.770633      47.85261 10.47829 47.85261 10.47829 0.000000       0.000000 
1 1 1 17 31 1  o 25.25941 7.036495 2.497293       5.780967      9.542846       8.097604      -4.551803      8.253463      30.53612 10.70250 19.98269 9.138137 10.55343       14.07299 
1 1 1 17 31 2  o 28.91311 6.751834 3.917030       6.028925      -10.71888      8.352647      18.55435       8.699788      17.38225 8.341245 40.44398 10.61945 -23.06173      13.50367 
1 1 1 17 31 3  o 64.12521 5.458985 43.27224       7.008005      44.78124       10.40007      41.75615       9.401155      65.13681 7.983252 63.11362 7.447803 2.023190       10.91797 
1 1 1 17 31 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 31 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 31 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 31 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 31 8  o 23.42452 7.198722 -0.2004919     6.395194      -4.134524      8.494337      3.733541       9.564099      20.39573 9.305045 26.45331 10.98647 -6.057579      14.39744 
1 1 1 17 31 9  o 71.05249 4.786475 52.72298       6.799720      54.96877       9.649114      50.47719       9.578268      72.62138 6.643438 69.48360 6.892467 3.137787       9.572950 
1 1 1 17 31 10 o 123.6441 3.411497 156.7804       8.437660      167.9031       12.25622      145.6577       11.59735      128.0592 4.785372 119.2289 4.863482 8.830246       6.822994 
1 1 1 17 31 11 o 30.95946 7.757574 10.30797       6.029633      10.66928       8.508506      9.946663       8.551013      31.29984 10.97063 30.61908 10.97110 0.6807613      15.51515 
1 1 1 17 31 12 o 33.24672 7.467054 12.36248       5.854646      17.60503       8.409323      7.112856       8.147196      38.80983 10.55621 27.68361 10.56380 11.12621       14.93411 
1 1 1 17 31 13 o 36.36022 7.199761 15.31673       5.892902      7.672533       8.274716      22.95384       8.388069      28.09825 10.66826 44.62218 9.671325 -16.52393      14.39952 
1 1 1 17 31 14 o 25.72763 7.241841 4.703412       5.901403      -0.6886151     8.140111      10.09544       8.543928      21.34617 9.481584 30.10908 10.94882 -8.762905      14.48368 
1 1 1 17 31 15 o 23.00104 7.313621 -1.035756      7.052638      -3.094517      8.749379      1.023713       11.06602      20.73152 9.454322 25.27056 11.16118 -4.539038      14.62724 
1 1 1 17 31 16 o 20.44102 6.846751 -7.722124      7.353730      -8.997337      9.153197      -6.439118      11.51943      18.61655 8.884744 22.26548 10.41985 -3.648924      13.69350 
1 1 1 17 31 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 31 18 o 30.57335 9.343193 17.24372       10.95267      10.82514       16.32273      23.65520       14.61536      27.43369 12.66906 33.71301 13.73594 -6.279327      18.68639 
1 1 1 17 31 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 31 20 o 32.56024 7.296169 13.02843       6.303804      2.831682       9.082352      23.23013       8.742295      23.18634 10.18542 41.93414 10.44957 -18.74780      14.59234 
1 1 1 17 31 21 o 23.80301 6.941458 5.674699       5.383525      2.999585       6.928658      8.352647       8.239295      21.29970 9.119053 26.30632 10.46796 -5.006618      13.88292 
1 1 1 17 31 22 o 24.80853 6.888184 6.837976       5.292843      10.88890       7.148279      2.789175       7.807138      28.14809 10.03641 21.46897 9.437097 6.679121       13.77637 
1 1 1 17 31 23 o 40.13765 6.818521 22.67046       5.499003      17.49167       7.637110      27.84216       7.913406      34.33979 10.30447 45.93550 8.932345 -11.59571      13.63704 
1 1 1 17 31 24 o 25.77865 6.688717 8.756464       5.127066      15.36632       7.029259      2.150151       7.467082      31.74015 9.960241 19.81715 8.930248 11.92300       13.37743 
1 1 1 17 32 0  f 41.61780 15.39909 24.88791       11.84531      24.88791       11.84531      24.88791       11.84531      41.61780 15.39909 41.61780 15.39909 0.000000       0.000000 
1 1 1 17 32 1  f 51.55645 8.657048 31.51902       8.933578      39.00735       12.36957      24.03777       12.89382      58.49891 10.97728 44.61399 13.38945 13.88492       17.31410 
1 1 1 17 32 2  o 32.66827 7.994542 9.613690       7.488335      -4.214580      9.018591      23.44267       11.95158      21.06249 9.603485 44.27405 12.78373 -23.21156      15.98908 
1 1 1 17 32 3  o 37.11041 6.428473 12.83006       6.344185      29.01818       8.473083      -3.358061      9.443663      52.21321 8.113926 22.00761 9.973226 30.20560       12.85695 
1 1 1 17 32 4  f 30.31815 7.796329 9.188620       6.193994      11.47692       8.706873      6.901029       8.806056      32.43890 11.12366 28.19741 10.92682 4.241493       15.59266 
1 1 1 17 32 5  o 21.31205 6.741753 -2.303177      5.959496      -5.218455      8.203872      0.6118190      8.650196      19.37135 8.959488 23.25274 10.07633 -3.881395      13.48351 
1 1 1 17 32 6  o 58.38547 5.432880 36.47110       6.314431      40.72889       9.011506      32.20622       8.848563      61.99966 7.267384 54.77128 8.077740 7.228374       10.86576 
1 1 1 17 32 7  o 28.03416 7.549912 7.367898       5.877316      7.212039       8.416408      7.516674       8.203872      27.95863 10.71707 28.10969 10.63716 -0.1510658     15.09982 
1 1 1 17 32 8  o 25.91758 7.567030 3.547926       6.506421      6.661572       8.721042      0.4338559      9.663282      27.69266 10.84450 24.14249 10.55636 3.550169       15.13406 
1 1 1 17 32 9  o 21.33495 6.724854 -1.458702      5.839768      -1.404860      8.295970      -1.512545      8.225125      21.41099 9.537861 21.25891 9.482818 0.1520767      13.44971 
1 1 1 17 32 10 o 50.35915 6.617423 28.83399       6.508547      25.50426       9.139028      32.17080       9.273635      46.66464 10.07850 54.05367 8.578173 -7.389027      13.23485 
1 1 1 17 32 11 o 32.10190 7.480834 7.785885       7.254546      22.78381       9.684536      -7.204955      10.81097      42.98745 11.16608 21.21635 9.958427 21.77110       14.96167 
1 1 1 17 32 12 o 64.16630 6.373684 46.65155       8.210957      38.83024       10.54176      54.46577       12.60336      58.78868 8.965810 69.54391 9.061439 -10.75523      12.74737 
1 1 1 17 32 13 o 21.10905 7.004284 -7.849646      7.630026      -4.247877      9.606606      -11.45567      11.86657      21.25080 9.776753 20.96730 10.03270 0.2835045      14.00857 
1 1 1 17 32 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 32 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 32 16 o 55.62977 6.763984 39.51036       7.169532      22.53585       9.287803      56.47778       10.93141      41.01339 11.06640 70.24615 7.780790 -29.23276      13.52797 
1 1 1 17 32 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 32 18 o 20.87237 6.513771 0.7389152      5.428158      3.338225       7.474166      -1.859686      7.877984      22.29679 9.506132 19.44794 8.907877 2.848858       13.02754 
1 1 1 17 32 19 o 24.78241 6.646240 5.093060       5.332517      -4.881233      6.966206      15.06877       8.076350      16.66176 7.867751 32.90305 10.71394 -16.24130      13.29248 
1 1 1 17 32 20 o 47.23339 6.383296 28.45142       5.828433      32.82966       7.792970      24.06610       8.664365      52.84827 7.372965 41.61852 10.42234 11.22976       12.76659 
1 1 1 17 32 21 o 17.57181 5.851037 -3.090975      5.299220      -5.684617      6.984626      -0.4966247     7.970083      15.86967 7.618368 19.27395 8.882511 -3.404286      11.70207 
1 1 1 17 32 22 o 23.58725 6.737466 6.531217       5.240418      11.56193       7.325392      1.501918       7.495420      27.54806 10.12619 19.62645 8.890107 7.921616       13.47493 
1 1 1 17 32 23 o 21.67296 6.439398 5.291427       5.048427      9.705790       6.830184      0.8784803      7.438744      24.78971 9.619706 18.55621 8.562981 6.233503       12.87880 
1 1 1 17 33 0  o 19.23752 11.99780 3.912071       9.124859      3.912071       9.124859      3.912071       9.124859      19.23752 11.99780 19.23752 11.99780 0.000000       0.000000 
1 1 1 17 33 1  o 51.23811 7.106442 30.20130       7.183701      36.49944       10.82514      23.90316       9.443663      57.36837 9.434767 45.10785 10.62973 12.26052       14.21288 
1 1 1 17 33 2  o 49.85188 7.337811 29.06069       7.105771      33.46726       10.62678      24.66121       9.443663      53.83732 10.23863 45.86644 10.51401 7.970875       14.67562 
1 1 1 17 33 3  o 51.00628 7.568140 30.58386       7.630026      23.61978       10.67637      37.54795       10.91016      43.94192 11.86854 58.07064 9.393867 -14.12872      15.13628 
1 1 1 17 33 4  o 91.41738 4.569917 88.34394       8.352647      83.59731       11.58319      93.09056       12.04368      88.92164 6.513143 93.91312 6.412139 -4.991486      9.139833 
1 1 1 17 33 5  o 23.69411 7.668019 -2.930865      8.133026      2.969121       13.12761      -8.827310      9.599521      28.07622 12.28995 19.31199 9.173396 8.764225       15.33604 
1 1 1 17 33 6  o 49.57972 7.572848 29.58495       7.467082      36.80407       10.34340      22.35874       10.78264      57.21535 9.039005 41.94410 12.15271 15.27125       15.14570 
1 1 1 17 33 7  o 25.37382 8.052930 -0.5054095     8.721042      1.416904       10.03168      -2.427156      14.26822      24.50645 10.73528 26.24119 12.00636 -1.734732      16.10586 
1 1 1 17 33 8  o 41.86063 8.668346 22.24539       7.892153      24.46993       10.10252      20.02793       12.12869      44.49530 11.32152 39.22595 13.12951 5.269356       17.33669 
1 1 1 17 33 9  o 49.99474 8.503592 31.09395       8.416408      30.44217       11.26438      31.73864       12.51834      49.88199 11.51577 50.10748 12.51525 -0.2254906     17.00718 
1 1 1 17 33 10 o 25.65731 7.983811 1.452326       8.083434      3.817847       10.17337      -0.9139028     12.56793      25.94329 11.07662 25.37133 11.50102 0.5719585      15.96762 
1 1 1 17 33 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 33 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 33 13 o 31.77059 7.684164 12.58919       6.913073      22.72713       9.365732      2.451243       10.16628      40.12758 11.23092 23.41360 10.49057 16.71397       15.36833 
1 1 1 17 33 14 o 31.49952 9.833602 10.11669       12.92925      7.835476       21.69988      12.39082       14.05568      31.46960 14.56133 31.52944 13.21993 -0.5983734E-01 19.66720 
1 1 1 17 33 15 o 22.21160 6.917661 2.229498       6.010505      2.745251       7.948828      1.713745       9.018591      22.10502 9.620226 22.31817 9.943207 -0.2131462     13.83532 
1 1 1 17 33 16 o 27.12867 7.086502 7.587519       5.693827      14.30364       7.707955      0.8699788      8.380984      32.78365 10.44901 21.47370 9.575607 11.30996       14.17300 
1 1 1 17 33 17 o 30.13364 6.720165 10.95267       5.425323      19.92166       7.431659      1.974455       7.906322      38.96511 9.588739 21.30217 9.417991 17.66295       13.44033 
1 1 1 17 33 18 o 33.79156 7.338960 16.39357       5.554970      12.19954       7.424574      20.58761       8.260548      29.44023 10.25479 38.14290 10.50146 -8.702671      14.67792 
1 1 1 17 33 19 o 26.21690 7.136926 9.741212       5.301345      7.459997       6.959122      12.02243       7.998421      24.13822 9.615644 28.29557 10.54904 -4.157351      14.27385 
1 1 1 17 33 20 o 49.46497 6.148700 32.45417       5.933992      26.46067       7.934660      38.45476       8.827310      43.80735 9.333506 55.12260 8.006979 -11.31525      12.29740 
1 1 1 17 33 21 o 35.38789 6.217586 18.49059       5.409029      29.62037       7.367898      7.360813       7.920490      47.89656 7.691469 22.87923 9.771122 25.01734       12.43517 
1 1 1 17 34 0  o 33.05148 14.31917 17.30748       9.698705      17.30748       9.698705      17.30748       9.698705      33.05148 14.31917 33.05148 14.31917 0.000000       0.000000 
1 1 1 17 34 1  o 36.94170 7.533844 15.46550       6.912364      27.70755       9.783719      3.228415       9.769550      48.31889 10.42111 25.56451 10.88282 22.75438       15.06769 
1 1 1 17 34 2  o 26.04776 7.984450 2.869230       7.736294      -0.6147945     9.195704      6.352687       12.44041      22.65460 10.06833 29.44093 12.39494 -6.786325      15.96890 
1 1 1 17 34 3  o 36.62664 9.329202 16.01101       9.309056      18.90858       10.63386      13.11344       15.28131      38.68260 12.26731 34.57069 14.05877 4.111916       18.65840 
1 1 1 17 34 4  o 21.78717 7.201114 -7.608772      8.062181      -1.761211      10.16628      -13.45350      12.51126      22.80850 10.34136 20.76585 10.02400 2.042654       14.40223 
1 1 1 17 34 5  o 32.27534 8.589347 10.95267       8.820225      -5.380691      11.54776      27.28956       13.34723      21.88865 10.27727 42.66204 13.76537 -20.77339      17.17869 
1 1 1 17 34 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 34 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 34 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 34 9  o 21.44812 7.206768 -3.433157      8.402238      -8.267632      11.33523      1.400609       12.41916      19.44721 9.415130 23.44902 10.91354 -4.001806      14.41354 
1 1 1 17 34 10 f 24.03345 7.463028 1.607477       7.127024      4.974040       9.216957      -1.759086      10.86765      25.24461 10.65052 22.82230 10.45723 2.422308       14.92606 
1 1 1 17 34 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 34 12 o 24.74713 7.323509 4.319431       6.583642      -5.733500      8.140111      14.37449       10.35048      17.82051 8.456597 31.67376 11.95914 -13.85326      14.64702 
1 1 1 17 34 13 o 35.59161 7.935659 17.38541       6.536885      19.29114       8.189702      15.47259       10.18754      38.17160 10.43299 33.01163 11.96042 5.159977       15.87132 
1 1 1 17 34 14 o 22.59261 6.696782 2.787049       5.518839      8.324308       7.374983      -2.752335      8.210957      26.07784 10.02170 19.10737 8.885552 6.970467       13.39356 
1 1 1 17 34 15 o 30.78818 7.512918 13.55977       5.649195      11.50526       7.608772      15.62136       8.352647      28.82661 10.34700 32.74974 10.89566 -3.923130      15.02584 
1 1 1 17 34 16 o 31.24656 7.360341 14.29656       5.837643      6.582934       7.672533      22.00451       8.798972      23.90545 9.878771 38.58768 10.91368 -14.68224      14.72068 
1 1 1 17 34 17 o 20.38094 6.449975 1.904318       5.464997      -1.700284      7.325392      5.508921       8.111773      17.96813 8.370029 22.79376 9.815870 -4.825628      12.89995 
1 1 1 17 34 18 o 21.07469 6.583919 3.783841       5.449411      3.163237       7.389152      4.404445       8.012589      20.51005 9.081522 21.63932 9.535088 -1.129265      13.16784 
1 1 1 17 34 19 o 26.42854 6.978302 11.20771       5.129191      13.60936       6.877649      8.813140       7.608772      28.97382 9.886943 23.88327 9.850643 5.090551       13.95660 
1 1 1 17 35 0  f 28.25496 16.28135 17.25080       14.51618      17.25080       14.51618      17.25080       14.51618      28.25496 16.28135 28.25496 16.28135 0.000000       0.000000 
1 1 1 17 35 1  o 22.13505 7.556415 -10.07418      10.09544      -5.706579      14.00609      -14.44533      14.53743      23.12532 11.02556 21.14477 10.33609 1.980556       15.11283 
1 1 1 17 35 2  o 22.42285 7.373781 -4.869189      8.501422      -10.86765      13.83606      1.126438       9.882903      21.76153 10.51238 23.08418 10.34313 -1.322649      14.74756 
1 1 1 17 35 3  o 19.64987 6.718028 -10.95975      8.005506      -10.69762      12.34832      -11.22188      10.18754      20.79717 10.01924 18.50257 8.952226 2.294603       13.43606 
1 1 1 17 35 4  o 21.85222 7.058653 -3.538008      7.275800      -9.174451      11.60444      2.099851       8.777717      20.66862 9.897327 23.03581 10.06684 -2.367195      14.11731 
1 1 1 17 35 5  o 18.70109 6.546608 -23.42850      9.408240      -32.97134      14.54451      -13.89274      11.93741      17.92651 9.020464 19.47567 9.490181 -1.549168      13.09322 
1 1 1 17 35 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 35 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 17 35 8  f 32.50208 7.787555 14.50201       6.159280      10.69054       8.529759      18.31348       8.891070      28.75674 10.85684 36.24741 11.16750 -7.490671      15.57511 
1 1 1 17 35 9  o 27.09893 6.790011 5.661238       5.822057      17.93091       8.267632      -6.610563      8.196787      36.55717 10.65750 17.64069 8.416332 18.91647       13.58002 
1 1 1 17 35 10 o 26.35823 7.559597 8.005506       6.215956      9.734127       9.386987      6.273340       8.154280      27.91363 11.15258 24.80284 10.20833 3.110790       15.11919 
1 1 1 17 35 11 o 41.31861 7.400311 24.23614       6.488710      34.13321       9.727042      14.33906       8.593520      51.09425 9.871010 31.54298 11.02822 19.55127       14.80062 
1 1 1 17 35 12 o 36.65333 7.492584 19.73038       6.385275      29.99585       9.670367      9.464915       8.338477      46.52639 10.62186 26.78026 10.57030 19.74613       14.98517 
1 1 1 17 35 13 o 22.85972 7.013524 4.508587       6.003421      7.998421       8.898154      1.020879       8.062181      25.32285 10.56199 20.39659 9.230514 4.926266       14.02705 
1 1 1 17 35 14 f 17.57774 5.992552 -6.733126      6.319390      -3.807220      8.798972      -9.656199      9.075267      18.45298 8.773507 16.70251 8.165066 1.750471       11.98510 
1 1 1 17 35 15 o 27.64930 7.558012 11.91616       6.060097      13.00009       7.870899      10.83223       9.216957      28.81728 10.50583 26.48131 10.86838 2.335968       15.11602 
1 1 1 17 35 16 o 24.35891 7.240047 8.997337       5.996336      6.439827       7.587519      11.55485       9.287803      22.51351 9.587599 26.20430 10.85131 -3.690788      14.48009 
1 1 1 17 36 0  o 11.40496 8.232836 -10.34340      8.451830      -10.34340      8.451830      -10.34340      8.451830      11.40496 8.232836 11.40496 8.232836 0.000000       0.000000 
1 1 1 17 36 1  o 25.80888 6.651353 3.661279       5.745543      17.01701       8.260548      -9.698705      7.984251      35.42170 10.73451 16.19606 7.856988 19.22565       13.30271 
1 1 1 17 36 2  o 18.34332 6.145242 -5.936118      6.045219      -9.719957      8.090520      -2.152985      8.983169      16.30352 7.909113 20.38312 9.407546 -4.079607      12.29048 
1 1 1 17 36 3  o 32.12640 6.933176 11.39190       6.290343      23.86774       8.310139      -1.089599      9.443663      42.99892 9.867043 21.25387 9.742546 21.74506       13.86635 
1 1 1 17 36 4  o 71.30056 6.266251 63.76774       9.117774      84.44745       15.02626      43.12346       10.33631      82.87918 9.065161 59.72194 8.653697 23.15724       12.53250 
1 1 1 17 36 5  o 45.41576 8.157166 29.52827       7.424574      30.42800       10.76847      28.62145       10.23713      45.94141 11.68827 44.89011 11.38164 1.051304       16.31433 
1 1 1 17 36 6  o 25.63074 7.674169 7.219123       6.820973      9.479085       9.918325      4.959870       9.365732      27.22189 11.23952 24.03959 10.45201 3.182301       15.34834 
1 1 1 17 36 7  o 21.06549 6.687173 -0.4461829     6.231542      -5.946744      9.571183      5.054096       7.984251      18.88836 9.031314 23.24262 9.864507 -4.354258      13.37435 
1 1 1 17 36 8  o 27.11723 7.348457 8.147196       6.383151      0.6536176      9.691620      15.63553       8.303054      21.64100 9.898928 32.59346 10.86326 -10.95246      14.69691 
1 1 1 17 36 9  o 25.95588 7.052312 8.260548       5.568431      1.986499       7.693786      14.53743       8.048012      20.66254 9.195363 31.24921 10.69513 -10.58667      14.10462 
1 1 1 17 36 10 o 27.59199 7.417789 11.26438       5.666197      10.08835       7.856731      12.43333       8.168448      26.54045 10.31356 28.64352 10.66419 -2.103069      14.83558 
1 1 1 17 36 11 o 37.01049 7.876742 22.01160       6.427783      16.27314       8.246379      27.74297       9.861650      32.09716 10.82614 41.92382 11.44408 -9.826656      15.75348 
1 1 1 17 36 12 o 39.80655 6.520572 23.18054       5.931867      36.30816       8.395153      10.06001       8.380984      53.78047 7.805020 25.83263 10.44764 27.94784       13.04114 
1 1 1 17 36 13 o 16.24613 5.483076 -6.705496      5.289301      1.180281       7.190785      -14.59411      7.757547      18.86401 8.594140 13.62825 6.811552 5.235759       10.96615 
1 1 1 17 37 0  o 18.84838 11.55069 6.214540       8.161365      6.214540       8.161365      6.214540       8.161365      18.84838 11.55069 18.84838 11.55069 0.000000       0.000000 
1 1 1 17 37 1  o 24.49345 7.161115 7.459997       5.710830      7.183701       8.055097      7.729208       8.097604      24.27740 10.08266 24.70950 10.17183 -0.4321003     14.32223 
1 1 1 17 37 2  o 22.05933 6.699900 1.669112       5.946744      -9.443663      7.729208      12.78755       9.039845      15.40640 7.532342 28.71226 11.08235 -13.30586      13.39980 
1 1 1 17 37 3  o 18.87302 6.172367 -1.088182      5.540093      0.6633943      8.005506      -2.840183      7.665448      19.90916 9.069663 17.83689 8.374585 2.072268       12.34473 
1 1 1 17 37 4  o 19.91303 6.455927 -0.7127025     5.979333      6.852146       9.124859      -8.274716      7.729208      24.09321 10.39353 15.73285 7.660980 8.360363       12.91185 
1 1 1 17 37 5  o 17.84382 5.964115 -3.344601      5.656987      -3.737791      8.026759      -2.952118      7.970083      17.70437 8.399601 17.98328 8.469319 -0.2789116     11.92823 
1 1 1 17 37 6  o 23.42168 7.132301 6.375357       6.097645      6.528384       7.906322      6.221623       9.280719      23.31354 9.851416 23.52982 10.31642 -0.2162838     14.26460 
1 1 1 17 37 7  o 19.12569 6.307837 -2.120396      6.018298      -10.27963      7.821308      6.036717       9.153197      15.04657 7.411439 23.20482 10.20910 -8.158251      12.61567 
1 1 1 17 37 8  o 36.32210 7.961457 22.40125       6.490126      16.59194       8.196787      28.21763       10.06710      31.72900 10.79354 40.91520 11.70635 -9.186203      15.92291 
1 1 1 17 37 9  o 33.07597 8.277795 21.69988       7.729208      6.237210       9.238212      37.16538       12.39082      22.62874 10.07307 43.52320 13.13852 -20.89446      16.55559 
1 1 1 17 38 0  o 22.58493 12.10385 10.80389       7.410406      10.80389       7.410406      10.80389       7.410406      22.58493 12.10385 22.58493 12.10385 0.000000       0.000000 
1 1 1 17 38 1  o 17.81809 5.869883 -0.6456829     5.146902      2.601435       7.367898      -3.892942      7.183701      19.48263 8.820128 16.15355 7.747739 3.329084       11.73977 
1 1 1 17 38 2  o 19.39205 6.223015 2.310261       5.274423      -0.1178155     7.353730      4.738125       7.559181      17.95206 8.371697 20.83204 9.209687 -2.879986      12.44603 
1 1 1 18 0  0  o 124.0339 4.122457 154.3716       10.20170      154.3716       10.20170      154.3716       10.20170      124.0339 4.122457 124.0339 4.122457 0.000000       0.000000 
1 1 1 18 0  1  o 154.1462 2.936908 237.8981       9.046929      237.8981       9.046929      237.8981       9.046929      154.1462 2.936908 154.1462 2.936908 0.000000       0.000000 
1 1 1 18 0  2  o 253.0236 3.369671 640.6530       17.04535      640.6530       17.04535      640.6530       17.04535      253.0236 3.369671 253.0236 3.369671 0.000000       0.000000 
1 1 1 18 0  3  o 115.9833 3.052993 134.8184       7.071057      134.8184       7.071057      134.8184       7.071057      115.9833 3.052993 115.9833 3.052993 0.000000       0.000000 
1 1 1 18 0  4  o 139.0371 3.063105 193.6199       8.508506      193.6199       8.508506      193.6199       8.508506      139.0371 3.063105 139.0371 3.063105 0.000000       0.000000 
1 1 1 18 0  5  o 141.8720 4.396167 201.9088       12.44750      201.9088       12.44750      201.9088       12.44750      141.8720 4.396167 141.8720 4.396167 0.000000       0.000000 
1 1 1 18 0  6  o 334.7768 4.019947 1121.479       26.90700      1121.479       26.90700      1121.479       26.90700      334.7768 4.019947 334.7768 4.019947 0.000000       0.000000 
1 1 1 18 0  7  o 136.6668 3.163286 187.1021       8.636027      187.1021       8.636027      187.1021       8.636027      136.6668 3.163286 136.6668 3.163286 0.000000       0.000000 
1 1 1 18 0  8  o 141.6043 3.172968 200.8461       8.976085      200.8461       8.976085      200.8461       8.976085      141.6043 3.172968 141.6043 3.172968 0.000000       0.000000 
1 1 1 18 0  9  o 93.92944 3.883608 88.69817       7.268716      88.69817       7.268716      88.69817       7.268716      93.92944 3.883608 93.92944 3.883608 0.000000       0.000000 
1 1 1 18 0  10 o 112.7329 3.365592 127.4505       7.573349      127.4505       7.573349      127.4505       7.573349      112.7329 3.365592 112.7329 3.365592 0.000000       0.000000 
1 1 1 18 0  11 o 172.7917 3.627992 299.0375       12.52543      299.0375       12.52543      299.0375       12.52543      172.7917 3.627992 172.7917 3.627992 0.000000       0.000000 
1 1 1 18 0  12 o 584.8690 6.276155 3424.656       73.39561      3424.656       73.39561      3424.656       73.39561      584.8690 6.276155 584.8690 6.276155 0.000000       0.000000 
1 1 1 18 0  13 o 339.2685 4.030408 1151.943       27.33916      1151.943       27.33916      1151.943       27.33916      339.2685 4.030408 339.2685 4.030408 0.000000       0.000000 
1 1 1 18 0  14 o 137.3739 2.947730 189.0149       8.090520      189.0149       8.090520      189.0149       8.090520      137.3739 2.947730 137.3739 2.947730 0.000000       0.000000 
1 1 1 18 0  15 o 349.9422 4.102866 1225.622       28.70647      1225.622       28.70647      1225.622       28.70647      349.9422 4.102866 349.9422 4.102866 0.000000       0.000000 
1 1 1 18 0  16 o 387.8051 4.434089 1505.460       34.38116      1505.460       34.38116      1505.460       34.38116      387.8051 4.434089 387.8051 4.434089 0.000000       0.000000 
1 1 1 18 0  17 o 131.0977 4.358081 172.5788       11.39899      172.5788       11.39899      172.5788       11.39899      131.0977 4.358081 131.0977 4.358081 0.000000       0.000000 
1 1 1 18 0  18 o 173.7079 3.020061 302.1547       10.48509      302.1547       10.48509      302.1547       10.48509      173.7079 3.020061 173.7079 3.020061 0.000000       0.000000 
1 1 1 18 0  19 o 203.7142 3.121114 415.5070       12.70963      415.5070       12.70963      415.5070       12.70963      203.7142 3.121114 203.7142 3.121114 0.000000       0.000000 
1 1 1 18 0  20 o 99.04668 3.217592 98.47480       6.359063      98.47480       6.359063      98.47480       6.359063      99.04668 3.217592 99.04668 3.217592 0.000000       0.000000 
1 1 1 18 0  21 o 273.7205 3.547212 750.2504       19.41158      750.2504       19.41158      750.2504       19.41158      273.7205 3.547212 273.7205 3.547212 0.000000       0.000000 
1 1 1 18 0  22 f 38.37173 6.583854 15.85515       4.647444      15.85515       4.647444      15.85515       4.647444      38.37173 6.583854 38.37173 6.583854 0.000000       0.000000 
1 1 1 18 0  23 o 32.70225 7.960672 12.46875       4.507170      12.46875       4.507170      12.46875       4.507170      32.70225 7.960672 32.70225 7.960672 0.000000       0.000000 
1 1 1 18 0  24 o 247.1906 3.357491 612.1732       16.59194      612.1732       16.59194      612.1732       16.59194      247.1906 3.357491 247.1906 3.357491 0.000000       0.000000 
1 1 1 18 0  25 o 108.8301 3.126775 118.8782       6.793344      118.8782       6.793344      118.8782       6.793344      108.8301 3.126775 108.8301 3.126775 0.000000       0.000000 
1 1 1 18 0  26 o 186.8502 3.071114 349.9043       11.46984      349.9043       11.46984      349.9043       11.46984      186.8502 3.071114 186.8502 3.071114 0.000000       0.000000 
1 1 1 18 0  27 o 15.60565 9.020061 3.171739       4.474581      3.171739       4.474581      3.171739       4.474581      15.60565 9.020061 15.60565 9.020061 0.000000       0.000000 
1 1 1 18 0  28 o 146.0838 3.048522 214.0233       8.898154      214.0233       8.898154      214.0233       8.898154      146.0838 3.048522 146.0838 3.048522 0.000000       0.000000 
1 1 1 18 0  29 o 101.8712 3.386650 104.3549       6.883317      104.3549       6.883317      104.3549       6.883317      101.8712 3.386650 101.8712 3.386650 0.000000       0.000000 
1 1 1 18 0  30 o 151.0069 3.191061 228.8299       9.627860      228.8299       9.627860      228.8299       9.627860      151.0069 3.191061 151.0069 3.191061 0.000000       0.000000 
1 1 1 18 0  31 o 41.43058 8.353720 19.35490       6.140152      19.35490       6.140152      19.35490       6.140152      41.43058 8.353720 41.43058 8.353720 0.000000       0.000000 
1 1 1 18 0  32 o 18.84282 10.17806 5.280091       5.273715      5.280091       5.273715      5.280091       5.273715      18.84282 10.17806 18.84282 10.17806 0.000000       0.000000 
1 1 1 18 0  33 o 75.85147 4.119765 58.36934       6.210997      58.36934       6.210997      58.36934       6.210997      75.85147 4.119765 75.85147 4.119765 0.000000       0.000000 
1 1 1 18 0  34 o 7.189492 5.321044 -12.70254      4.966955      -12.70254      4.966955      -12.70254      4.966955      7.189492 5.321044 7.189492 5.321044 0.000000       0.000000 
1 1 1 18 0  35 f 26.65148 10.43096 10.09544       5.294969      10.09544       5.294969      10.09544       5.294969      26.65148 10.43096 26.65148 10.43096 0.000000       0.000000 
1 1 1 18 0  36 o 56.03452 5.130388 32.64546       5.659113      32.64546       5.659113      32.64546       5.659113      56.03452 5.130388 56.03452 5.130388 0.000000       0.000000 
1 1 1 18 0  37 o 39.18176 7.690698 17.53418       5.374315      17.53418       5.374315      17.53418       5.374315      39.18176 7.690698 39.18176 7.690698 0.000000       0.000000 
1 1 1 18 0  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 0  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 0  40 o 30.98491 8.950113 12.54668       4.806137      12.54668       4.806137      12.54668       4.806137      30.98491 8.950113 30.98491 8.950113 0.000000       0.000000 
1 1 1 18 0  41 o 13.58037 8.326418 2.496584       4.245043      2.496584       4.245043      2.496584       4.245043      13.58037 8.326418 13.58037 8.326418 0.000000       0.000000 
1 1 1 18 0  42 o 54.55437 4.599032 31.92992       4.949244      31.92992       4.949244      31.92992       4.949244      54.55437 4.599032 54.55437 4.599032 0.000000       0.000000 
1 1 1 18 1  0  o 555.7283 5.981082 3090.975       66.45986      3090.975       66.45986      3090.975       66.45986      555.7283 5.981082 555.7283 5.981082 0.000000       0.000000 
1 1 1 18 1  1  o 239.4256 2.309901 573.4209       11.05893      575.2629       15.68512      571.5789       15.60011      239.8100 3.270323 239.0411 3.263060 0.7689209      4.619802 
1 1 1 18 1  2  o 133.6777 2.078006 178.7424       5.557804      179.6634       7.842561      177.8214       7.870899      134.0223 2.925843 133.3332 2.951590 0.6890564      4.156013 
1 1 1 18 1  3  o 302.7163 2.637425 916.7366       15.96850      920.2789       22.61378      913.1944       22.55002      303.3012 3.727941 302.1314 3.731823 1.169800       5.274850 
1 1 1 18 1  4  o 414.3363 3.603347 1717.996       29.85416      1713.745       45.02211      1722.246       39.21989      413.8027 5.440045 414.8699 4.726770 -1.067169      7.206694 
1 1 1 18 1  5  o 248.7458 2.798401 618.9743       13.92108      617.8408       19.50368      620.1786       19.87207      248.5119 3.924093 248.9798 3.990699 -0.4679260     5.596802 
1 1 1 18 1  6  o 264.1388 2.477185 698.1083       13.09219      679.8303       18.12220      716.2448       18.89441      260.6940 3.475760 267.5835 3.530563 -6.889465      4.954370 
1 1 1 18 1  7  o 411.4492 3.312835 1694.617       27.27539      1642.191       37.52669      1746.334       39.58828      405.1276 4.631465 417.7707 4.738040 -12.64313      6.625669 
1 1 1 18 1  8  o 301.9259 2.683506 912.4859       16.20938      885.5648       22.40125      938.6987       23.43558      297.5289 3.764550 306.3229 3.825308 -8.794006      5.367012 
1 1 1 18 1  9  o 67.08775 3.478610 45.06462       4.667280      42.93218       6.475249      47.19706       6.724624      65.49936 4.942987 68.67616 4.895895 -3.176796      6.957220 
1 1 1 18 1  10 o 218.7921 2.313553 478.9843       10.12378      464.3193       14.04860      493.6492       14.58702      215.4422 3.260410 222.1420 3.283266 -6.699753      4.627106 
1 1 1 18 1  11 o 348.4919 2.929467 1214.995       20.42466      1237.665       29.37949      1193.033       28.37349      351.6899 4.176904 345.2940 4.108599 6.395874       5.858934 
1 1 1 18 1  12 o 287.6382 2.604996 828.1802       14.98375      823.2209       21.11895      832.4308       21.26772      286.8383 3.681334 288.4381 3.686705 -1.599823      5.209991 
1 1 1 18 1  13 o 312.6854 2.699125 978.3719       16.88241      976.2466       23.81815      980.4973       23.92442      312.3460 3.812783 313.0248 3.821490 -0.6788025     5.398250 
1 1 1 18 1  14 o 350.1780 3.140560 1227.747       21.99034      1231.998       28.87649      1222.788       33.16971      350.8580 4.115126 349.4980 4.745336 1.359924       6.281121 
1 1 1 18 1  15 o 348.0107 3.734923 1212.870       25.96476      1226.330       33.17680      1199.409       39.95668      349.9899 4.739679 346.0314 5.773563 3.958527       7.469845 
1 1 1 18 1  16 o 193.9420 2.333793 376.4713       9.068183      369.1034       11.66112      383.7683       13.88566      192.0635 3.035746 195.8206 3.545505 -3.757095      4.667586 
1 1 1 18 1  17 o 47.74575 3.764470 22.85465       3.598227      22.65629       4.405862      23.05302       5.690285      47.55315 4.632565 47.93835 5.935003 -0.3851967     7.528939 
1 1 1 18 1  18 o 329.0043 2.880433 1084.640       18.92275      1100.226       23.55602      1068.345       29.61329      331.4879 3.553075 326.5208 4.534670 4.967010       5.760866 
1 1 1 18 1  19 o 124.2380 2.520502 154.7967       6.332850      143.8157       7.190785      165.7069       10.42133      119.8642 2.999555 128.6117 4.051468 -8.747536      5.041004 
1 1 1 18 1  20 o 132.0242 2.272182 174.5625       5.990668      169.4617       8.841478      179.6634       8.083434      130.0849 3.398350 133.9634 3.017030 -3.878540      4.544364 
1 1 1 18 1  21 o 179.1237 2.149207 321.2829       7.700871      315.8278       10.76847      326.7380       11.00934      177.6035 3.031604 180.6439 3.047250 -3.040405      4.298413 
1 1 1 18 1  22 o 176.1978 2.133787 311.0103       7.523758      300.5961       10.46383      321.4246       10.80389      173.2468 3.019922 179.1488 3.015339 -5.902069      4.267575 
1 1 1 18 1  23 o 43.64408 3.844995 19.17779       3.352394      18.32056       4.772840      20.02793       4.709787      42.66430 5.593482 44.62386 5.277207 -1.959568      7.689991 
1 1 1 18 1  24 o 93.86646 2.345814 88.62732       4.395235      79.06322       6.075682      98.12057       6.352687      88.79616 3.421140 98.93676 3.210479 -10.14060      4.691628 
1 1 1 18 1  25 o 188.0241 2.162739 354.3676       8.133026      354.0842       11.49817      354.6509       11.50526      187.9489 3.058856 188.0993 3.058293 -0.1504364     4.325478 
1 1 1 18 1  26 o 70.73203 2.657165 50.25757       3.759754      51.84450       5.421073      48.66355       5.211371      71.85043 3.772471 69.61362 3.743068 2.236816       5.314329 
1 1 1 18 1  27 o 75.73621 2.646544 57.93010       3.998502      66.50945       5.868106      49.34367       5.432408      81.38995 3.604933 70.08247 3.875725 11.30748       5.293088 
1 1 1 18 1  28 o 168.8619 2.164911 286.0728       7.311223      281.9638       10.27255      290.1819       10.40716      167.6487 3.063713 170.0750 3.059578 -2.426315      4.329822 
1 1 1 18 1  29 o 33.61726 5.332487 12.00826       3.503294      13.01426       5.017255      11.00934       4.890443      35.05910 7.386865 32.17541 7.692588 2.883690       10.66497 
1 1 1 18 1  30 o 22.31321 5.924671 3.545093       3.703078      6.034592       5.285050      1.055593       5.187992      25.18564 8.663540 19.44079 8.083933 5.744856       11.84934 
1 1 1 18 1  31 o 106.1334 2.590766 113.6357       5.496169      107.1179       7.693786      120.0826       7.849646      103.0877 3.731669 109.1791 3.594847 -6.091400      5.181533 
1 1 1 18 1  32 o 73.93031 2.890133 55.20965       4.267005      52.17039       6.076391      58.25599       5.991377      71.86754 4.227493 75.99310 3.942053 -4.125557      5.780267 
1 1 1 18 1  33 o 192.0989 2.298053 371.6538       8.827310      376.6838       12.64586      366.6946       12.32706      193.3813 3.269672 190.8165 3.230082 2.564743       4.596105 
1 1 1 18 1  34 o 17.45377 5.375401 -0.6645278     3.550761      0.6414323      5.027883      -1.970204      5.014421      18.54556 7.847302 16.36199 7.348441 2.183561       10.75080 
1 1 1 18 1  35 o 52.19475 3.817908 28.24597       3.939700      22.98217       5.503253      33.50977       5.638568      47.16975 5.833456 57.21975 4.927117 -10.04999      7.635816 
1 1 1 18 1  36 o 64.06701 3.209626 42.10329       4.103353      45.88642       5.861730      38.32724       5.744127      67.00130 4.374341 61.13272 4.698080 5.868587       6.419253 
1 1 1 18 1  37 o 124.3879 2.376735 157.5597       5.913447      163.8649       8.444746      151.1836       8.274716      126.9143 3.326948 121.8616 3.395130 5.052734       4.753471 
1 1 1 18 1  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 1  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 1  40 o 44.63284 3.893290 21.69988       3.456536      19.85082       4.986792      23.54894       4.787717      42.48240 5.869246 46.78329 5.116910 -4.300888      7.786579 
1 1 1 18 1  41 o 24.55439 5.683503 7.743378       3.220622      8.416408       4.668697      7.064682       4.437033      25.48718 8.132995 23.62160 7.941236 1.865582       11.36701 
1 1 1 18 1  42 o 39.38864 4.235242 18.34182       3.336808      19.28406       4.816055      17.39249       4.619106      40.44023 5.954535 38.33705 6.024337 2.103184       8.470485 
1 1 1 18 2  0  o 57.83567 4.497647 34.06236       5.140526      34.06236       5.140526      34.06236       5.140526      57.83567 4.497647 57.83567 4.497647 0.000000       0.000000 
1 1 1 18 2  1  f 244.4885 2.344549 597.9333       11.46275      596.9415       16.23063      598.9251       16.19521      244.2856 3.322061 244.6914 3.309313 -0.4058838     4.689098 
1 1 1 18 2  2  o 272.8229 2.476542 744.5828       13.51726      745.2913       19.12820      743.8744       19.09278      272.9527 3.503940 272.6932 3.500780 0.2594910      4.953085 
1 1 1 18 2  3  o 420.8412 3.346984 1772.546       28.17513      1769.713       39.77248      1774.672       39.90709      420.5471 4.728660 421.1353 4.738036 -0.5882874     6.693968 
1 1 1 18 2  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 2  5  o 24.21925 5.573740 4.007712       3.704495      -2.483832      5.166739      10.49926       5.310555      16.65422 7.469932 31.78427 8.274445 -15.13005      11.14748 
1 1 1 18 2  6  o 720.4791 5.378889 5200.745       77.57547      4997.419       105.5593      5404.070       113.7065      706.4092 7.471542 734.5491 7.739885 -28.13989      10.75778 
1 1 1 18 2  7  o 490.1272 3.819446 2404.485       37.45584      2340.016       51.63196      2468.955       54.27449      483.5596 5.338738 496.6948 5.463566 -13.13516      7.638893 
1 1 1 18 2  8  o 120.0974 2.398780 144.3116       5.761838      139.9192       8.083434      148.7040       8.210957      118.2690 3.417395 121.9258 3.367195 -3.656799      4.797561 
1 1 1 18 2  9  o 322.1323 2.802243 1038.590       18.05135      1023.004       25.22797      1053.468       25.83724      319.7699 3.944707 324.4946 3.981150 -4.724762      5.604487 
1 1 1 18 2  10 o 221.2762 2.310874 489.8235       10.23004      485.0061       14.36032      494.6411       14.56577      220.1883 3.260918 222.3642 3.275205 -2.175964      4.621748 
1 1 1 18 2  11 o 152.9509 2.161726 234.0016       6.612689      237.6856       9.394071      230.3885       9.309056      154.1434 3.047186 151.7584 3.067064 2.384933       4.323451 
1 1 1 18 2  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 2  13 o 395.3361 3.307724 1564.970       26.21272      1535.924       31.41275      1593.308       41.98285      391.7637 4.009145 398.9085 5.262215 -7.144806      6.615448 
1 1 1 18 2  14 o 443.2763 3.621408 1968.079       32.22039      1916.362       38.29890      2019.088       51.82325      437.5642 4.376376 448.9884 5.771112 -11.42422      7.242817 
1 1 1 18 2  15 o 356.0602 3.476257 1269.546       24.63287      1299.301       27.14079      1239.791       41.11854      360.3255 3.766148 351.7949 5.844107 8.530609       6.952514 
1 1 1 18 2  16 o 314.6281 3.119897 991.8326       19.64537      958.5353       26.92117      1024.421       28.61437      309.4054 4.350468 319.8508 4.473081 -10.44537      6.239793 
1 1 1 18 2  17 o 148.3363 2.248734 220.2577       6.664406      224.2959       8.869816      216.2195       9.946663      149.7052 2.962427 146.9674 3.383970 2.737869       4.497468 
1 1 1 18 2  18 o 68.66031 2.859240 47.22540       3.932616      46.63030       4.771423      47.81341       6.252087      68.24446 3.495832 69.07616 4.525503 -0.8316956     5.718481 
1 1 1 18 2  19 o 58.33305 3.455293 34.12612       4.057303      32.86508       4.522757      35.39425       6.736668      57.27869 3.948027 59.38742 5.671797 -2.108738      6.910586 
1 1 1 18 2  20 o 270.7383 2.684726 733.9561       14.53743      731.8307       18.77397      736.7899       22.20996      270.3209 3.472535 271.1558 4.095425 -0.8349304     5.369451 
1 1 1 18 2  21 o 204.5475 2.395378 419.1201       9.790804      425.1419       13.01426      413.0274       14.62953      206.0471 3.158079 203.0479 3.602482 2.999191       4.790756 
1 1 1 18 2  22 o 181.4331 2.142601 329.7135       7.771716      324.0458       10.90307      335.3811       11.08727      179.8735 3.030761 182.9926 3.029431 -3.119095      4.285203 
1 1 1 18 2  23 o 171.8433 2.131541 295.9911       7.325392      306.2637       10.59844      285.6478       10.12378      174.8350 3.030984 168.8515 2.997833 5.983414       4.263082 
1 1 1 18 2  24 o 127.7867 2.162024 163.6524       5.523799      164.1483       7.877984      163.1564       7.750463      127.9784 3.077856 127.5949 3.037136 0.3835144      4.324048 
1 1 1 18 2  25 o 169.1866 2.133446 286.9938       7.219123      277.2880       10.06001      296.6996       10.35756      166.3240 3.024222 172.0492 3.010059 -5.725174      4.266892 
1 1 1 18 2  26 o 194.0137 2.196572 377.5339       8.522675      384.6893       12.28455      370.3786       11.82406      195.8470 3.136262 192.1804 3.076293 3.666672       4.393145 
1 1 1 18 2  27 o 98.58073 2.342078 97.55381       4.617689      97.83719       6.496503      97.19958       6.563805      98.74419 3.289562 98.41728 3.334682 0.3269119      4.684156 
1 1 1 18 2  28 o 93.24451 2.672119 88.34394       5.033550      69.97379       6.167781      106.6928       7.955913      83.45714 3.695179 103.0319 3.860899 -19.57474      5.344239 
1 1 1 18 2  29 o 388.5983 3.216991 1522.463       25.00126      1532.381       35.61387      1512.545       35.10379      389.8515 4.567621 387.3450 4.531333 2.506439       6.433983 
1 1 1 18 2  30 o 116.7945 2.434170 137.1563       5.687451      135.9519       8.040927      138.2898       8.040927      116.2940 3.457154 117.2949 3.427655 -1.000862      4.868340 
1 1 1 18 2  31 f 18.66128 5.696346 -0.8168449     3.979374      1.635815       5.532300      -3.268796      5.720748      20.43398 8.409010 16.88858 7.686481 3.545403       11.39269 
1 1 1 18 2  32 o 38.37368 4.994485 15.47259       3.738500      17.70421       5.346686      13.24096       5.226249      41.58942 6.427940 35.15795 7.645987 6.431469       9.988970 
1 1 1 18 2  33 o 41.67346 5.385375 19.45408       4.222373      30.30757       5.652028      8.600604       6.274049      54.55218 5.180387 28.79474 9.443127 25.75744       10.77075 
1 1 1 18 2  34 o 53.21268 3.775193 29.13154       3.990709      25.07919       5.604562      33.17680       5.683908      49.41714 5.670666 57.00821 4.985167 -7.591072      7.550386 
1 1 1 18 2  35 o 66.11227 3.094061 44.66080       4.075723      39.41825       5.688159      49.90334       5.838351      62.16309 4.575191 70.06145 4.166593 -7.898361      6.188123 
1 1 1 18 2  36 o 43.80363 4.589257 20.58052       3.844768      16.07477       5.408321      25.09336       5.467123      38.38661 7.307644 49.22065 5.553688 -10.83404      9.178514 
1 1 1 18 2  37 o 23.93735 6.006624 5.799386       3.670489      7.275800       5.043468      4.318722       5.333225      25.69518 8.466549 22.17953 8.522658 3.515644       12.01325 
1 1 1 18 2  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 2  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 2  40 f 13.83248 4.575007 -3.907820      3.224873      -0.6059388E-01 4.809679      -7.757547      4.296760      16.50934 7.316334 11.15561 5.494908 5.353727       9.150014 
1 1 1 18 2  41 o 49.20133 3.651938 26.69446       3.598935      27.85633       5.362980      25.53969       4.801178      50.10044 5.352228 48.30221 4.969936 1.798233       7.303876 
1 1 1 18 2  42 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 3  0  o 281.7167 3.589879 794.1744       20.21921      794.1744       20.21921      794.1744       20.21921      281.7167 3.589879 281.7167 3.589879 0.000000       0.000000 
1 1 1 18 3  1  f 587.1119 4.449675 3450.869       52.24832      3460.079       74.10406      3441.659       73.67899      587.8944 6.302497 586.3295 6.283070 1.564880       8.899350 
1 1 1 18 3  2  o 24.27644 5.895307 5.307721       3.484874      6.619065       5.025048      3.995668       4.830225      26.12079 8.448017 22.43208 8.224936 3.688704       11.79061 
1 1 1 18 3  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 3  4  o 179.8600 2.193929 323.6208       7.892153      313.7733       10.93850      333.5391       11.38482      177.1135 3.087990 182.6064 3.117311 -5.492889      4.387859 
1 1 1 18 3  5  o 261.6373 2.466955 684.7895       12.91508      698.0376       18.56144      671.6123       17.95217      264.1609 3.513283 259.1137 3.464148 5.047150       4.933911 
1 1 1 18 3  6  o 267.3099 2.509271 714.8279       13.41808      730.4138       19.24155      699.3127       18.70313      270.2174 3.560383 264.4025 3.536867 5.814911       5.018541 
1 1 1 18 3  7  o 225.8627 2.351555 510.2978       10.61969      515.1862       15.13253      505.4095       14.91291      226.9444 3.333973 224.7810 3.317208 2.163376       4.703110 
1 1 1 18 3  8  o 168.5135 2.292766 284.3726       7.729208      266.3070       10.58427      302.3672       11.27147      163.1654 3.243418 173.8618 3.241503 -10.69640      4.585532 
1 1 1 18 3  9  o 173.8074 2.254604 302.2255       7.835476      300.2419       11.00934      304.1384       11.15812      173.2474 3.177347 174.3675 3.199597 -1.120163      4.509208 
1 1 1 18 3  10 o 144.0827 2.425212 207.7180       6.976833      212.9606       9.160281      202.4755       10.52051      145.9061 3.139102 142.2592 3.697654 3.646851       4.850423 
1 1 1 18 3  11 o 169.3342 2.369775 286.9230       8.019674      291.8821       10.55593      281.8929       12.06493      170.8138 3.089894 167.8545 3.593867 2.959351       4.739549 
1 1 1 18 3  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 3  13 o 252.3691 2.484985 637.3232       12.51126      649.2961       15.60719      625.3504       19.56744      254.7573 3.063149 249.9810 3.913785 4.776276       4.969970 
1 1 1 18 3  14 o 145.9300 2.181944 213.0314       6.356230      216.5737       7.877984      209.5600       9.975000      147.1392 2.677051 144.7208 3.446291 2.418411       4.363889 
1 1 1 18 3  15 o 184.6167 2.202293 340.9778       8.133026      339.5609       9.989170      342.4656       12.84423      184.2353 2.710982 184.9982 3.471448 -0.7628632     4.404586 
1 1 1 18 3  16 o 211.2021 2.411439 446.4663       10.20170      439.2401       13.25513      453.6925       15.50093      209.5051 3.163439 212.8991 3.640440 -3.393967      4.822878 
1 1 1 18 3  17 o 56.14323 3.489130 32.21330       3.907820      23.35057       4.969081      41.07603       6.032466      48.26248 5.147975 64.02399 4.711100 -15.76151      6.978260 
1 1 1 18 3  18 o 173.8840 2.502179 302.7923       8.650196      310.7269       9.500339      294.8576       14.46659      176.2092 2.695755 171.5588 4.216218 4.650436       5.004357 
1 1 1 18 3  19 o 162.3655 2.191286 263.9691       7.134109      259.1516       8.621859      268.7158       11.36357      160.9167 2.678982 163.8143 3.468429 -2.897629      4.382572 
1 1 1 18 3  20 f 452.7764 3.700804 2057.344       33.58770      2021.213       40.21881      2093.475       53.80691      449.0096 4.478613 456.5432 5.892861 -7.533600      7.401608 
1 1 1 18 3  21 o 87.26788 2.484780 76.44194       4.383191      69.51329       5.184450      83.38477       7.069641      83.31750 3.111261 91.21826 3.875124 -7.900757      4.969560 
1 1 1 18 3  22 f 84.17146 2.479500 70.98687       4.170656      71.41194       5.100852      70.59014       6.599937      84.43830 3.020462 83.90461 3.933000 0.5336914      4.959000 
1 1 1 18 3  23 o 180.8022 2.309704 327.6590       8.345562      331.9805       11.04476      323.3374       12.51126      182.0231 3.033891 179.5814 3.483450 2.441650       4.619407 
1 1 1 18 3  24 o 175.2114 2.129331 307.6097       7.459997      308.8141       10.57718      306.4762       10.52759      175.5441 3.012686 174.8787 3.009971 0.6654053      4.258662 
1 1 1 18 3  25 o 54.09481 3.236731 29.64871       3.477790      34.79915       5.044177      24.49826       4.787717      58.84766 4.285792 49.34196 4.851567 9.505692       6.473463 
1 1 1 18 3  26 o 54.24448 3.242499 29.70539       3.502585      33.16262       4.987500      26.25522       4.918780      57.42559 4.342577 51.06336 4.816351 6.362236       6.484999 
1 1 1 18 3  27 o 194.8445 2.208498 380.8637       8.607689      383.9100       12.27038      377.8173       12.07202      195.6212 3.136262 194.0678 3.110258 1.553329       4.416995 
1 1 1 18 3  28 o 63.83018 3.045393 40.99810       3.887983      41.11146       5.557804      40.88475       5.438076      63.91462 4.347835 63.74575 4.265442 0.1688766      6.090785 
1 1 1 18 3  29 o 69.50688 3.009695 49.08863       4.155069      58.29142       6.079933      39.88583       5.665489      76.10967 3.994192 62.90409 4.503275 13.20558       6.019390 
1 1 1 18 3  30 o 229.0576 2.444587 527.5132       11.20062      523.5459       15.84098      531.5514       15.83390      228.1835 3.471105 229.9316 3.443176 -1.748016      4.889175 
1 1 1 18 3  31 o 70.79758 3.227149 50.86684       4.557470      45.14255       6.317265      56.59113       6.570890      66.77103 4.730543 74.82413 4.390890 -8.053108      6.454297 
1 1 1 18 3  32 o 73.93266 3.060617 56.37860       4.434200      40.49511       6.021840      72.26208       6.509964      63.22082 4.762546 84.64449 3.845474 -21.42368      6.121234 
1 1 1 18 3  33 o 89.75314 2.620394 81.33026       4.705537      84.94337       6.828058      77.78800       6.477375      91.72360 3.722084 87.78269 3.689437 3.940910       5.240787 
1 1 1 18 3  34 o 104.3740 2.531699 110.1643       5.284342      112.1479       7.637110      108.1806       7.311223      105.2989 3.626398 103.4491 3.533730 1.849747       5.063398 
1 1 1 18 3  35 o 27.81752 5.290354 7.566265       3.659862      -0.1225622     5.173823      15.24588       5.178074      18.03831 7.804436 37.59672 7.144380 -19.55840      10.58071 
1 1 1 18 3  36 o 47.36918 4.085332 23.31515       3.869564      22.93967       5.498294      23.69063       5.446577      46.96412 5.853718 47.77424 5.700328 -0.8101273     8.170665 
1 1 1 18 3  37 o 52.84332 3.825330 29.34407       4.022589      33.80732       5.841893      24.88083       5.531591      57.00209 5.124280 48.68456 5.681053 8.317524       7.650661 
1 1 1 18 3  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 3  39 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 3  40 o 17.55598 5.217824 1.069054       3.275881      -1.787424      4.730333      3.924823       4.532674      15.08513 6.906642 20.02684 7.823111 -4.941709      10.43565 
1 1 1 18 3  41 o 40.46477 4.471304 19.26989       3.503294      23.70480       5.237584      14.82790       4.654528      45.86604 5.709654 35.06350 6.882595 10.80253       8.942609 
1 1 1 18 4  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 4  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 4  2  o 420.5104 5.919365 1771.838       50.07337      1830.639       83.24309      1713.745       55.67723      427.3038 9.740504 413.7171 6.728901 13.58673       11.83873 
1 1 1 18 4  3  o 106.9481 2.397153 114.4150       5.127066      114.9109       7.219123      113.9190       7.282885      107.1801 3.367755 106.7161 3.412271 0.4639893      4.794306 
1 1 1 18 4  4  f 363.8790 3.022106 1324.805       21.99743      1346.058       31.52611      1303.551       30.68304      366.7971 4.297486 360.9610 4.250189 5.836060       6.044211 
1 1 1 18 4  5  o 256.1231 2.461982 656.1680       12.61044      651.9173       17.76089      660.4896       17.90966      255.2867 3.478616 256.9595 3.484920 -1.672791      4.923965 
1 1 1 18 4  6  o 152.7775 2.243629 233.5057       6.855688      233.8599       9.698705      233.0806       9.691620      152.9050 3.171482 152.6499 3.174459 0.2550201      4.487258 
1 1 1 18 4  7  o 450.6561 3.864549 2032.548       34.82040      2043.883       45.75182      2021.213       52.49628      451.9383 5.061733 449.3738 5.841047 2.564453       7.729099 
1 1 1 18 4  8  o 102.6271 2.735684 105.4885       5.649195      99.53748       6.856396      111.3686       8.983169      99.75108 3.436753 105.5031 4.257300 -5.752037      5.471369 
1 1 1 18 4  9  f 309.9590 2.837377 961.3691       17.64045      941.5324       21.14020      981.2057       28.23889      306.7829 3.445466 313.1352 4.509057 -6.352325      5.674754 
1 1 1 18 4  10 o 374.1940 3.195008 1401.318       23.87483      1417.612       29.57786      1385.023       37.49126      376.4041 3.929003 371.9839 5.039368 4.420288       6.390015 
1 1 1 18 4  11 o 348.7425 3.036425 1217.120       21.17562      1219.246       25.87266      1214.995       33.52394      349.0801 3.705834 348.4048 4.811061 0.6752930      6.072851 
1 1 1 18 4  12 o 470.0537 3.798792 2212.495       35.64221      2248.626       44.36325      2176.364       55.79766      473.9650 4.680013 466.1425 5.985044 7.822571       7.597583 
1 1 1 18 4  13 f 197.8491 2.268058 391.6321       8.976085      390.7112       10.91724      392.5531       14.25405      197.6288 2.762058 198.0694 3.598247 -0.4405975     4.536116 
1 1 1 18 4  14 o 262.9662 2.901246 692.0865       15.27422      688.4734       16.13144      695.6997       25.94350      262.3272 3.074681 263.6053 4.920900 -1.278076      5.802493 
1 1 1 18 4  15 o 325.1801 2.858463 1058.427       18.57561      1065.511       22.89008      1051.342       29.25906      326.3062 3.507454 324.0541 4.514534 2.252136       5.716926 
1 1 1 18 4  16 o 91.05503 2.802020 83.10139       5.098727      76.72533       7.066098      89.54830       7.353730      87.53661 4.036082 94.57345 3.887841 -7.036835      5.604040 
1 1 1 18 4  17 o 238.1685 2.409526 567.9658       11.44858      582.2765       14.40283      553.6551       17.78922      241.2005 2.985655 235.1367 3.782742 6.063797       4.819053 
1 1 1 18 4  18 o 308.1971 4.195370 953.5761       25.58928      986.1649       24.03068      920.9873       45.18505      313.7932 3.829063 302.6010 7.466110 11.19220       8.390740 
1 1 1 18 4  19 o 236.0946 2.420813 558.1891       11.44858      551.0338       13.75813      565.3445       18.30639      234.6241 2.931953 237.5651 3.852921 -2.941071      4.841627 
1 1 1 18 4  20 f 217.1434 2.337438 472.2540       10.12378      481.0388       12.50417      463.3983       15.93308      219.2107 2.852091 215.0761 3.704057 4.134567       4.674875 
1 1 1 18 4  21 o 157.2816 2.182307 247.7456       6.893944      240.0943       8.239295      255.4677       11.05185      154.8696 2.660075 159.6937 3.460327 -4.824097      4.364615 
1 1 1 18 4  22 o 292.4563 2.691373 857.2267       15.74180      857.2267       19.29114      857.9351       24.88083      292.4926 3.297715 292.4200 4.254296 0.7254028E-01  5.382746 
1 1 1 18 4  23 o 147.2972 2.177783 217.4239       6.419991      215.7944       7.764632      219.0533       10.23004      146.7858 2.644885 147.8087 3.460570 -1.022858      4.355567 
1 1 1 18 4  24 o 55.86824 3.289829 31.39150       3.642859      33.02094       4.314471      29.76206       5.870940      57.36833 3.760325 54.36815 5.399246 3.000179       6.579658 
1 1 1 18 4  25 o 97.27116 2.314962 94.86169       4.503628      94.79085       6.338518      95.00338       6.399445      97.21791 3.259954 97.32441 3.287688 -0.1064987     4.629923 
1 1 1 18 4  26 o 125.0232 2.186684 156.7804       5.468539      161.1019       7.856731      152.4588       7.608772      126.7458 3.099405 123.3006 3.085457 3.445244       4.373369 
1 1 1 18 4  27 o 146.1759 2.368166 214.5192       6.932201      218.3448       10.68345      210.6936       8.841478      147.4314 3.623194 144.9204 3.050460 2.511032       4.736331 
1 1 1 18 4  28 o 123.5770 2.219123 153.4507       5.486251      165.1401       7.991336      141.7612       7.516674      128.2939 3.114465 118.8601 3.161983 9.433754       4.438246 
1 1 1 18 4  29 o 151.6418 2.237657 230.9553       6.784843      223.1623       9.507423      238.6774       9.684536      149.0894 3.188497 154.1941 3.140371 -5.104721      4.475315 
1 1 1 18 4  30 o 109.4175 2.599552 120.5076       5.690993      116.6820       7.948828      124.4041       8.140111      107.6617 3.691577 111.1733 3.661002 -3.511574      5.199103 
1 1 1 18 4  31 o 68.04631 3.241544 46.95618       4.389567      42.18830       6.264839      51.72406       6.150779      64.53575 4.853775 71.55688 4.297825 -7.021126      6.483088 
1 1 1 18 4  32 o 184.6642 2.289507 343.1740       8.458915      349.6209       12.24205      336.7271       11.67529      186.3824 3.284122 182.9460 3.190910 3.436371       4.579013 
1 1 1 18 4  33 o 49.12312 3.928011 24.66829       3.858937      25.63179       5.530175      23.70480       5.383525      50.08937 5.520308 48.15687 5.589571 1.932499       7.856023 
1 1 1 18 4  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 4  35 o 123.1777 2.359565 153.3798       5.810013      151.1836       8.416408      155.5760       8.012589      122.2534 3.442198 124.1019 3.228230 -1.848518      4.719131 
1 1 1 18 4  36 o 50.31841 3.979842 26.78656       3.876648      19.22738       5.464997      34.34575       5.500420      42.81286 6.382425 57.82395 4.756178 -15.01109      7.959684 
1 1 1 18 4  37 o 23.11139 6.035558 5.148319       3.686074      5.272298       5.269464      5.024340       5.156112      23.30496 8.586301 22.91782 8.484531 0.3871422      12.07112 
1 1 1 18 4  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 4  39 o 43.67194 8.428062 23.15220       7.098687      23.15220       7.098687      ?              ?             43.67194 8.428062 ?        ?        ?              ?        
1 1 1 18 4  40 o 47.70812 4.208153 25.26339       4.009129      25.83015       5.467123      24.69663       5.865273      48.48575 5.637866 46.93049 6.248893 1.555260       8.416306 
1 1 1 18 4  41 o 30.84798 5.805153 12.49709       3.658445      13.29764       5.085975      11.68946       5.260254      32.12522 7.948971 29.57074 8.462449 2.554480       11.61031 
1 1 1 18 5  0  f 327.9372 3.999020 1076.138       26.21980      1076.138       26.21980      1076.138       26.21980      327.9372 3.999020 327.9372 3.999020 0.000000       0.000000 
1 1 1 18 5  1  o 479.1327 3.750261 2297.509       35.93976      2327.972       51.46902      2267.046       50.17964      482.3071 5.335711 475.9582 5.271433 6.348877       7.500521 
1 1 1 18 5  2  o 398.8272 3.242189 1591.891       25.85849      1580.556       36.36483      1602.518       36.78282      397.4518 4.574747 400.2026 4.595525 -2.750793      6.484378 
1 1 1 18 5  3  o 408.7192 3.305182 1671.946       27.02035      1642.900       37.60462      1700.284       38.81607      405.2128 4.640107 412.2255 4.708112 -7.012665      6.610364 
1 1 1 18 5  4  o 292.6361 2.849102 857.2267       16.64862      879.8971       22.32332      833.8478       24.70371      296.5763 3.763503 288.6959 4.278501 7.880402       5.698203 
1 1 1 18 5  5  o 398.8993 3.951372 1594.725       31.20730      1714.453       39.09237      1474.997       48.64938      413.9405 4.721979 383.8581 6.336898 30.08246       7.902743 
1 1 1 18 5  6  o 363.3407 3.156326 1321.263       22.97509      1305.677       27.77839      1336.140       36.59153      361.2706 3.844542 365.4108 5.006903 -4.140259      6.312653 
1 1 1 18 5  7  o 140.5754 2.482316 197.6581       6.993127      195.0368       8.508506      200.3502       11.09435      139.6370 3.046653 141.5139 3.919882 -1.876923      4.964632 
1 1 1 18 5  8  o 101.1881 2.733370 102.5130       5.559929      98.54564       6.638193      106.4095       8.919409      99.25228 3.344101 103.1239 4.324608 -3.871605      5.466741 
1 1 1 18 5  9  o 268.4810 2.615701 721.2039       14.06985      711.9940       16.98867      730.4138       22.42958      266.7837 3.183979 270.1783 4.150885 -3.394623      5.231402 
1 1 1 18 5  10 o 398.1009 3.349986 1586.224       26.67321      1584.807       32.58170      1587.641       42.24498      397.9669 4.093518 398.2348 5.304029 -0.2678528     6.699972 
1 1 1 18 5  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 5  12 o 427.1725 3.680665 1827.097       31.42692      1846.934       41.59320      1807.261       47.11205      429.5274 4.841740 424.8176 5.544973 4.709778       7.361330 
1 1 1 18 5  13 o 182.8680 2.221138 334.6018       8.104689      341.8280       10.08835      327.3755       12.68129      184.8533 2.728746 180.8826 3.505392 3.970718       4.442277 
1 1 1 18 5  14 f 151.5507 2.489968 229.8218       7.545012      229.8218       8.118857      229.8218       12.72379      151.5709 2.678237 151.5304 4.198430 0.4052734E-01  4.979936 
1 1 1 18 5  15 o 192.6886 2.249187 371.5830       8.643111      380.5803       10.69762      362.5856       13.57394      195.0378 2.742449 190.3394 3.565719 4.698364       4.498375 
1 1 1 18 5  16 o 144.6866 2.201661 209.4892       6.362606      211.6145       7.792970      207.4347       10.06001      145.4241 2.679394 143.9491 3.494295 1.475006       4.403323 
1 1 1 18 5  17 o 230.3388 2.662559 531.3389       12.26330      532.6849       17.34998      529.9219       17.34290      230.6386 3.761292 230.0390 3.769557 0.5996552      5.325117 
1 1 1 18 5  18 o 236.3668 2.761427 559.6060       13.04968      559.5352       13.95650      559.6769       22.06119      236.4346 2.951451 236.2990 4.668067 0.1355743      5.522854 
1 1 1 18 5  19 o 184.7350 2.244701 341.6863       8.317224      334.6018       9.861650      348.8416       13.39682      182.8413 2.696778 186.6286 3.589167 -3.787277      4.489401 
1 1 1 18 5  20 o 96.80042 2.526935 93.86986       4.900361      92.24043       6.276883      95.49931       7.523758      95.97356 3.270110 97.62728 3.853307 -1.653717      5.053870 
1 1 1 18 5  21 o 224.0810 2.445897 503.0716       10.94558      514.1235       14.35323      492.0906       16.52110      226.5679 3.167535 221.5941 3.727783 4.973785       4.891793 
1 1 1 18 5  22 o 186.3308 2.234238 347.8499       8.310139      353.3049       10.30089      342.4656       13.04260      187.8269 2.742123 184.8348 3.528177 2.992081       4.468476 
1 1 1 18 5  23 o 35.50869 4.900522 13.07802       3.360187      15.62845       4.155069      10.52051       5.281508      39.40824 5.271829 31.60914 8.262463 7.799101       9.801044 
1 1 1 18 5  24 o 87.71031 2.502010 77.22124       4.410821      74.45828       5.206412      79.91336       7.119940      86.19553 3.020117 89.22509 3.989876 -3.029556      5.004020 
1 1 1 18 5  25 o 143.3249 2.175143 206.0178       6.239335      205.0260       7.651280      206.9388       9.854564      143.0397 2.674529 143.6100 3.431016 -0.5702362     4.350285 
1 1 1 18 5  26 o 252.8421 2.646004 641.9282       13.38974      637.7483       17.49876      646.1081       20.26172      252.0912 3.470719 253.5929 3.994931 -1.501663      5.292009 
1 1 1 18 5  27 o 124.1271 2.208937 154.6550       5.483417      152.9547       7.814223      156.2845       7.693786      123.4531 3.164855 124.8011 3.082419 -1.348000      4.417875 
1 1 1 18 5  28 f 118.3766 2.283292 140.6985       5.408321      135.7394       7.545012      145.6577       7.743378      116.2877 3.244114 120.4655 3.213939 -4.177818      4.566583 
1 1 1 18 5  29 o 65.05023 3.151606 42.65588       4.099811      44.04445       5.858188      41.26731       5.737751      66.11227 4.430485 63.98818 4.483446 2.124092       6.303212 
1 1 1 18 5  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 5  31 o 66.39831 3.508488 44.68206       4.660196      44.25698       6.371107      45.10004       6.803263      66.11002 4.818564 66.68660 5.100922 -0.5765839     7.016977 
1 1 1 18 5  32 o 71.20978 3.120378 51.46902       4.420739      45.85808       6.286093      57.07996       6.218081      67.26543 4.672603 75.15412 4.136886 -7.888695      6.240757 
1 1 1 18 5  33 o 49.79124 3.988804 25.39800       3.960245      23.52768       5.658404      27.26831       5.542927      47.90128 5.906319 51.68121 5.362613 -3.779934      7.977607 
1 1 1 18 5  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 5  35 o 23.19321 5.948884 3.892942       3.934033      8.388069       5.336059      -0.6057262     5.782383      27.79030 8.669625 18.59613 8.148279 9.194170       11.89777 
1 1 1 18 5  36 o 77.33862 3.163395 61.63530       4.915947      53.23307       6.343478      70.04462       7.509589      72.07161 4.400816 82.60563 4.545446 -10.53402      6.326790 
1 1 1 18 5  37 o 38.84964 5.579786 16.87532       4.227332      21.16854       5.599603      12.58210       6.334267      44.76882 6.253910 32.93047 9.242547 11.83836       11.15957 
1 1 1 18 5  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 5  39 o 31.01723 6.042202 11.91616       3.877357      10.78972       5.326140      13.03551       5.635734      29.55222 8.534310 32.48225 8.555606 -2.930029      12.08440 
1 1 1 18 5  40 o 21.25714 5.849356 4.773548       3.577682      4.629732       4.947119      4.918072       5.168864      21.02980 8.181529 21.48448 8.361963 -0.4546757     11.69871 
1 1 1 18 5  41 o 24.97158 5.159183 6.947787       3.543676      15.29548       5.154695      -1.401318      4.864230      34.80044 7.615222 15.14272 6.962547 19.65773       10.31837 
1 1 1 18 6  0  o 472.5282 5.256434 2234.457       49.66247      2234.457       49.66247      2234.457       49.66247      472.5282 5.256434 472.5282 5.256434 0.000000       0.000000 
1 1 1 18 6  1  o 191.5359 2.460551 366.9780       9.429493      364.9235       12.19245      369.0325       14.38866      191.0045 3.191666 192.0673 3.745732 -1.062775      4.921102 
1 1 1 18 6  2  f 656.4252 5.115979 4314.471       67.23916      4282.591       81.54280      4347.061       106.9054      654.0873 6.233327 658.7631 8.114099 -4.675720      10.23196 
1 1 1 18 6  3  o 510.4089 4.100580 2607.811       41.81991      2624.814       51.51862      2590.100       65.90018      512.1625 5.029519 508.6553 6.477883 3.507172       8.201160 
1 1 1 18 6  4  o 249.6080 2.570904 623.3667       12.87965      606.7889       15.35215      639.9445       20.68679      246.2998 3.116558 252.9163 4.089653 -6.616501      5.141809 
1 1 1 18 6  5  o 64.95992 3.837811 42.32291       5.042760      38.39808       5.925491      46.24773       8.161365      61.94712 4.782701 67.97272 6.003412 -6.025597      7.675623 
1 1 1 18 6  6  o 295.8466 2.792431 875.6464       16.52110      874.9379       20.19088      876.3549       26.16313      295.7437 3.413576 295.9495 4.420201 -0.2057190     5.584862 
1 1 1 18 6  7  o 192.8050 2.411951 371.8663       9.323226      365.7028       11.21479      378.1007       14.89166      191.2073 2.932626 194.4026 3.830108 -3.195267      4.823901 
1 1 1 18 6  8  o 542.7069 4.314651 2949.285       46.75073      2986.833       58.04346      2911.737       73.32476      546.2477 5.312925 539.1661 6.799829 7.081543       8.629302 
1 1 1 18 6  9  o 97.57771 2.654899 95.35760       5.137692      101.3086       6.417156      89.40662       8.026759      100.6327 3.188404 94.52269 4.245943 6.110046       5.309797 
1 1 1 18 6  10 o 22.65798 5.686460 1.680448       3.954578      8.069265       4.879108      -4.708370      6.225166      28.11058 8.184659 17.20538 7.896497 10.90520       11.37292 
1 1 1 18 6  11 o 74.89990 2.911381 56.22274       4.397360      51.99327       5.300636      60.45219       7.017923      72.08444 3.676685 77.71537 4.515145 -5.630928      5.822761 
1 1 1 18 6  12 o 339.2103 2.960520 1151.943       20.09878      1146.983       24.40616      1156.193       31.92992      338.5682 3.604320 339.8524 4.697616 -1.284210      5.921040 
1 1 1 18 6  13 o 324.9819 2.871505 1057.010       18.68896      1045.675       22.61378      1068.345       29.76206      323.2729 3.497630 326.6909 4.555079 -3.417999      5.743010 
1 1 1 18 6  14 o 122.6088 2.233990 150.4043       5.496169      146.4370       6.609855      154.4425       8.784801      120.9860 2.731662 124.2316 3.535656 -3.245605      4.467980 
1 1 1 18 6  15 o 235.7270 2.521965 556.2055       11.89491      551.9548       15.50801      560.4562       18.04427      234.8421 3.301795 236.6118 3.813053 -1.769714      5.043929 
1 1 1 18 6  16 o 309.8679 2.920687 962.0775       18.10094      959.9522       23.66229      963.4944       27.40292      309.6183 3.821203 310.1174 4.418152 -0.4990845     5.841375 
1 1 1 18 6  17 o 135.5276 2.312450 183.9141       6.253504      191.2820       8.395153      176.6170       9.266549      138.2399 3.036443 132.8152 3.488513 5.424759       4.624901 
1 1 1 18 6  18 o 21.27967 5.739896 3.194409       3.431032      2.734624       4.082099      3.654194       5.515297      19.71514 7.490807 22.84419 8.699049 -3.129053      11.47979 
1 1 1 18 6  19 o 64.51470 3.639052 41.78448       4.729624      39.91418       5.321890      43.64771       7.821308      63.10766 4.216516 65.92175 5.932267 -2.814083      7.278104 
1 1 1 18 6  20 o 225.4694 2.375694 509.1643       10.69762      512.7066       13.02134      505.6221       16.98867      226.3006 2.877002 224.6382 3.781342 1.662445       4.751388 
1 1 1 18 6  21 o 91.35867 2.490132 83.66816       4.531966      86.99788       5.850394      80.33842       6.922991      93.19655 3.138740 89.52078 3.866695 3.675766       4.980263 
1 1 1 18 6  22 o 156.3167 2.187752 244.9118       6.872690      236.1978       8.196787      253.6257       11.03059      153.5744 2.668670 159.0590 3.467455 -5.484573      4.375505 
1 1 1 18 6  23 o 154.6820 2.195442 239.8109       6.767131      246.4704       8.402238      233.2223       10.61261      156.8627 2.678214 152.5012 3.479516 4.361511       4.390884 
1 1 1 18 6  24 o 222.2338 2.373427 495.4203       10.59135      479.8344       12.54668      510.9354       17.07369      218.8286 2.866783 225.6390 3.783408 -6.810471      4.746854 
1 1 1 18 6  25 o 27.64203 5.708983 8.012589       3.399860      6.541135       3.999918      9.486169       5.499003      25.17556 7.436572 30.10850 8.664143 -4.932941      11.41797 
1 1 1 18 6  26 f 141.0211 2.237360 199.5000       6.301678      200.7752       7.665448      198.1540       10.01042      141.5406 2.707863 140.5017 3.562386 1.038910       4.474720 
1 1 1 18 6  27 o 57.35460 3.326272 33.36808       3.707328      38.85858       4.629024      27.88466       5.792302      62.18464 3.722000 52.52456 5.513898 9.660084       6.652545 
1 1 1 18 6  28 o 62.03743 3.140374 38.78065       3.897193      39.78665       5.615189      37.78173       5.406196      62.83648 4.468097 61.23839 4.414057 1.598083       6.280748 
1 1 1 18 6  29 o 46.37965 4.238654 21.82740       3.929073      22.55002       5.523799      21.10478       5.589684      47.16264 5.856116 45.59665 6.129490 1.565994       8.477307 
1 1 1 18 6  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 6  31 f 80.87215 3.115248 66.09855       5.032133      67.10455       6.671490      65.09255       7.537927      81.54603 4.090629 80.19828 4.699556 1.347748       6.230495 
1 1 1 18 6  32 o 99.25945 2.754812 99.60831       5.484125      93.86986       7.183701      105.2759       8.288886      96.45609 3.723819 102.0628 4.060680 -5.606697      5.509624 
1 1 1 18 6  33 o 76.57057 3.147567 59.65164       4.836601      53.73607       6.354104      65.57430       7.289969      72.78401 4.365041 80.35713 4.535981 -7.573120      6.295134 
1 1 1 18 6  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 6  35 o 42.10976 5.082279 19.20613       4.089183      23.25847       5.637859      15.15378       5.923365      47.30106 5.959549 36.91846 8.234198 10.38260       10.16456 
1 1 1 18 6  36 o 38.21325 5.658338 16.38649       4.189075      16.68404       5.638568      16.08894       6.196828      38.79095 7.536847 37.63555 8.441748 1.155399       11.31668 
1 1 1 18 6  37 o 77.88403 3.316323 62.76883       5.176658      58.80858       6.916615      66.72199       7.700871      75.48462 4.581473 80.28345 4.796051 -4.798836      6.632646 
1 1 1 18 6  38 o 85.63739 2.948865 76.86702       5.059763      82.67632       7.530843      71.05771       6.761464      88.81431 4.239656 82.46048 4.099821 6.353828       5.897730 
1 1 1 18 6  39 o 17.32557 5.297428 0.6211705      3.413321      2.816804       5.233334      -1.574180      4.382482      19.82044 8.171310 14.83071 6.743933 4.989729       10.59486 
1 1 1 18 6  40 o 23.87510 5.689154 6.714706       3.397735      4.719706       5.246085      8.706873       4.318722      21.23182 8.382967 26.51838 7.693617 -5.286566      11.37831 
1 1 1 18 6  41 o 43.68884 4.141878 21.84865       3.563512      20.02085       5.451536      23.68354       4.590768      41.06779 6.637241 46.30988 4.956574 -5.242088      8.283755 
1 1 1 18 7  0  o 531.9226 5.823837 2831.682       61.93994      2831.682       61.93994      2831.682       61.93994      531.9226 5.823837 531.9226 5.823837 0.000000       0.000000 
1 1 1 18 7  1  o 386.0654 3.198506 1491.291       24.69663      1477.830       34.64329      1504.752       35.21006      384.3238 4.507046 387.8070 4.539636 -3.483276      6.397012 
1 1 1 18 7  2  o 210.4463 2.422045 443.0657       10.19462      448.5208       14.55160      437.5398       14.28239      211.7502 3.436030 209.1424 3.414513 2.607758       4.844090 
1 1 1 18 7  3  o 191.4023 2.380440 366.4821       9.110690      372.1497       12.96467      360.8145       12.80881      192.8825 3.360769 189.9221 3.372122 2.960388       4.760880 
1 1 1 18 7  4  o 120.4947 2.578604 145.3035       6.216664      151.1836       8.976085      139.4233       8.600604      122.9337 3.650783 118.0556 3.642607 4.878075       5.157209 
1 1 1 18 7  5  o 485.3735 3.947273 2358.436       38.32016      2357.019       46.84991      2359.145       60.65056      485.3215 4.826689 485.4255 6.247154 -0.1040649     7.894546 
1 1 1 18 7  6  o 447.0069 3.692575 1999.959       33.03511      1986.499       40.10546      2013.420       52.51753      445.5539 4.500629 448.4599 5.855321 -2.906006      7.385150 
1 1 1 18 7  7  f 123.9273 2.488194 153.6632       6.182659      150.5460       7.488335      156.7804       9.840395      122.6769 3.052055 125.1777 3.930571 -2.500748      4.976388 
1 1 1 18 7  8  o 289.5375 2.740013 838.8069       15.88349      833.1393       19.24864      844.4745       25.26339      288.5807 3.335052 290.4944 4.348345 -1.913666      5.480025 
1 1 1 18 7  9  o 404.1319 3.390532 1634.398       27.40292      1635.815       33.57353      1633.690       43.31474      404.3105 4.151949 403.9533 5.361355 0.3571472      6.781063 
1 1 1 18 7  10 o 372.8734 3.186411 1392.108       23.69771      1421.863       29.62037      1361.644       37.00952      376.9473 3.928980 368.7994 5.017568 8.147888       6.372823 
1 1 1 18 7  11 o 438.7799 3.596921 1927.697       31.51194      1955.327       39.09237      1900.068       49.42868      441.9892 4.422322 435.5706 5.674014 6.418579       7.193842 
1 1 1 18 7  12 o 431.7606 3.545516 1866.771       30.63345      1858.269       37.26456      1874.563       48.62813      430.8845 4.324194 432.6368 5.619972 -1.752289      7.091032 
1 1 1 18 7  13 o 195.4512 2.572489 382.3514       9.982086      395.5995       11.02351      369.1742       16.64862      198.8571 2.771717 192.0452 4.334557 6.811859       5.144978 
1 1 1 18 7  14 o 174.5298 2.215847 304.8468       7.771716      294.9285       9.294888      314.8360       12.44750      171.6941 2.706816 177.3655 3.508996 -5.671417      4.431694 
1 1 1 18 7  15 o 150.7828 2.308417 227.6964       6.988169      215.4402       8.912323      240.0235       10.76847      146.7200 3.037187 154.8456 3.477162 -8.125595      4.616834 
1 1 1 18 7  16 o 204.9274 2.300877 420.3953       9.422408      423.7959       11.56902      416.9947       14.87040      205.7832 2.810972 204.0715 3.643429 1.711685       4.601754 
1 1 1 18 7  17 o 144.9537 2.224195 210.4102       6.478791      202.5464       7.792970      218.2740       10.35048      142.2623 2.738944 147.6450 3.505191 -5.382706      4.448390 
1 1 1 18 7  18 o 183.1265 2.256635 335.9478       8.324308      318.5908       9.677451      353.3758       13.55268      178.4139 2.712079 187.8391 3.607524 -9.425201      4.513269 
1 1 1 18 7  19 f 126.8382 2.597703 161.1728       6.611980      158.6224       6.858521      163.7232       11.30689      125.8846 2.724131 127.7917 4.423953 -1.907120      5.195406 
1 1 1 18 7  20 o 54.73865 3.496183 30.12337       3.773923      32.68088       4.569514      27.56586       6.006963      57.10021 4.001311 52.37708 5.734343 4.723125       6.992366 
1 1 1 18 7  21 o 98.21790 2.391093 96.63282       4.698452      96.56198       5.691702      96.77451       7.474166      98.19096 2.898282 98.24482 3.803848 -0.5385590E-01 4.782185 
1 1 1 18 7  22 o 161.3332 2.208033 260.8520       7.148279      253.9799       8.565183      267.7948       11.44858      159.2414 2.689370 163.4250 3.502702 -4.183548      4.416065 
1 1 1 18 7  23 o 213.6333 2.339358 457.5890       10.01042      451.4255       12.10036      463.7525       15.95433      212.2651 2.850293 215.0015 3.710285 -2.736343      4.678716 
1 1 1 18 7  24 o 53.71861 3.462480 29.07486       3.674739      31.11520       4.386734      27.03452       5.896444      55.66588 3.940235 51.77134 5.694700 3.894543       6.924959 
1 1 1 18 7  25 o 74.30303 2.794363 55.54262       4.106895      59.72248       5.079599      51.36275       6.453995      77.15557 3.291790 71.45049 4.516411 5.705078       5.588725 
1 1 1 18 7  26 o 95.74719 2.946706 92.31127       5.536551      99.32494       5.880858      85.29759       9.379901      99.52208 2.954550 91.97231 5.099308 7.549774       5.893412 
1 1 1 18 7  27 o 190.7630 2.398684 365.3486       9.139028      371.6538       12.04368      359.0434       13.75105      192.4645 3.128806 189.0614 3.636661 3.403015       4.797368 
1 1 1 18 7  28 o 120.6081 2.657538 146.2953       6.435576      143.1781       6.896778      149.4125       10.86765      119.4604 2.886638 121.7558 4.462887 -2.295433      5.315076 
1 1 1 18 7  29 o 101.2489 3.235855 103.4340       6.511380      107.2596       7.814223      99.67917       10.42133      103.2474 3.784223 99.25040 5.250017 3.996986       6.471710 
1 1 1 18 7  30 o 167.1841 2.616759 281.9638       8.728126      299.4626       12.09327      264.4650       12.58210      172.4433 3.506449 161.9248 3.885168 10.51846       5.233519 
1 1 1 18 7  31 o 76.12931 3.246656 58.75191       4.954203      53.68648       6.579392      63.81734       7.410406      72.85595 4.515343 79.40267 4.666346 -6.546722      6.493312 
1 1 1 18 7  32 o 33.83287 6.070711 12.53960       4.151527      10.07418       5.453662      15.00501       6.259880      30.52978 8.578420 37.13597 8.592137 -6.606192      12.14142 
1 1 1 18 7  33 o 59.08845 3.873259 35.81224       4.545426      38.95776       6.153612      32.66671       6.691327      61.80842 4.977973 56.36848 5.935345 5.439934       7.746517 
1 1 1 18 7  34 o 76.82297 3.024458 60.13339       4.651694      63.09472       6.823808      57.16497       6.322932      78.69931 4.335367 74.94662 4.218290 3.752686       6.048915 
1 1 1 18 7  35 o 175.4881 2.328467 311.7896       8.175533      314.2692       11.88782      309.3809       11.22188      176.1212 3.374898 174.8551 3.208908 1.266113       4.656933 
1 1 1 18 7  36 o 38.14943 5.221280 16.19521       3.844768      17.08077       5.637151      15.30964       5.229791      39.17731 7.462799 37.12155 7.304359 2.055763       10.44256 
1 1 1 18 7  37 o 59.38673 4.784035 39.26948       5.709413      41.74906       9.089437      36.78990       6.911656      60.57716 7.502363 58.19630 5.938226 2.380863       9.568070 
1 1 1 18 7  38 o 75.35674 3.048704 59.31159       4.526299      50.75348       6.654488      67.87676       6.137318      69.55856 4.783371 81.15491 3.781236 -11.59636      6.097408 
1 1 1 18 7  39 o 66.49486 3.131666 46.50986       4.099102      43.09512       6.565223      49.92460       4.910988      63.45955 5.172762 69.53017 3.531552 -6.070618      6.263332 
1 1 1 18 7  40 o 91.47771 3.321421 90.04422       5.945328      87.21041       10.45675      92.80718       5.660530      88.09164 5.935154 94.86378 2.983504 -6.772148      6.642843 
1 1 1 18 7  41 o 36.19966 6.080292 18.08677       4.492292      20.59469       7.736294      15.57885       4.566680      36.62658 10.19308 35.77274 6.631812 0.8538399      12.16058 
1 1 1 18 8  0  o 123.6024 4.336243 153.3798       10.69054      153.3798       10.69054      153.3798       10.69054      123.6024 4.336243 123.6024 4.336243 0.000000       0.000000 
1 1 1 18 8  1  o 499.7539 3.920359 2499.418       39.18447      2488.083       55.19548      2511.462       55.63472      498.5861 5.535200 500.9217 5.553236 -2.335541      7.840719 
1 1 1 18 8  2  o 796.1000 5.924280 6351.271       94.36578      6447.620       135.3851      6254.921       131.4178      802.1268 8.439136 790.0732 8.316812 12.05353       11.84856 
1 1 1 18 8  3  o 314.6722 2.830809 991.1240       17.81756      1010.252       25.61762      971.2875       24.77456      317.7653 4.030901 311.5792 3.975644 6.186157       5.661618 
1 1 1 18 8  4  o 339.8544 2.946730 1156.193       20.03502      1184.531       28.90483      1127.147       27.75006      344.0717 4.200408 335.6370 4.133939 8.434753       5.893460 
1 1 1 18 8  5  o 163.0269 2.359178 265.8820       7.693786      264.3234       10.87473      267.4406       10.88182      162.5489 3.345066 163.5049 3.327674 -0.9559937     4.718356 
1 1 1 18 8  6  o 272.5433 2.593053 743.1660       14.13361      740.3321       19.97834      745.9998       19.99959      272.0235 3.672171 273.0632 3.662082 -1.039642      5.186105 
1 1 1 18 8  7  o 69.88560 3.213832 48.87609       4.491584      48.47227       6.395903      49.28699       6.308055      69.59377 4.595170 70.17743 4.494362 -0.5836639     6.427665 
1 1 1 18 8  8  o 276.2766 2.597895 763.7111       14.35323      765.8364       20.33257      761.5857       20.26880      276.6609 3.674636 275.8922 3.673321 0.7687683      5.195790 
1 1 1 18 8  9  o 344.3469 2.936849 1186.657       20.22630      1181.698       28.54352      1191.616       28.66396      343.6274 4.153266 345.0664 4.153398 -1.439056      5.873699 
1 1 1 18 8  10 o 428.8631 3.431545 1841.266       29.43617      1851.893       41.83408      1830.639       41.41609      430.0997 4.863300 427.6265 4.842554 2.473175       6.863091 
1 1 1 18 8  11 o 111.9894 2.370903 125.5377       5.328265      122.4205       6.385275      128.5840       8.529759      110.6219 2.886080 113.3569 3.762348 -2.734909      4.741806 
1 1 1 18 8  12 o 156.5108 2.223511 245.1243       6.995253      236.2687       8.203872      254.0508       11.33523      153.6827 2.669093 159.3389 3.556956 -5.656158      4.447021 
1 1 1 18 8  13 o 23.88510 5.989500 4.039592       3.936158      6.368274       4.116813      1.710911       6.709747      25.10771 7.571912 22.66249 9.282381 2.445219       11.97900 
1 1 1 18 8  14 o 130.0452 2.319785 169.4617       6.000587      182.1430       8.118857      156.8512       8.841478      134.9119 3.008947 125.1784 3.531551 9.733543       4.639571 
1 1 1 18 8  15 o 279.1497 3.025664 780.7139       16.97450      763.0026       17.69004      798.4252       28.97568      276.0899 3.203674 282.2096 5.133716 -6.119751      6.051328 
1 1 1 18 8  16 o 258.6973 2.532647 670.1246       13.10636      666.9365       15.94017      673.3126       20.82140      258.1254 3.087678 259.2692 4.015402 -1.143738      5.065294 
1 1 1 18 8  17 o 485.2094 4.518568 2365.521       43.96651      2332.932       46.07771      2397.401       74.88335      482.3896 4.775985 488.0293 7.672014 -5.639740      9.037136 
1 1 1 18 8  18 o 260.2241 2.673252 678.4135       13.89274      689.6779       18.27806      667.1490       20.93475      262.4196 3.482602 258.0286 4.056672 4.390930       5.346504 
1 1 1 18 8  19 o 158.3208 2.249161 251.0045       7.098687      257.3097       8.664365      244.7701       11.24313      160.3287 2.702064 156.3130 3.596352 4.015671       4.498321 
1 1 1 18 8  20 o 172.1626 2.236749 296.8413       7.707955      295.8494       9.358648      297.9040       12.24205      171.9006 2.722111 172.4246 3.549971 -0.5240631     4.473497 
1 1 1 18 8  21 o 97.99207 2.387272 96.20776       4.679324      96.06606       5.651320      96.42028       7.459997      97.93190 2.885332 98.05222 3.804094 -0.1203232     4.774544 
1 1 1 18 8  22 o 91.49764 2.546130 84.02238       4.672948      81.47195       5.897153      86.50197       7.247461      90.15113 3.270704 92.84415 3.903025 -2.693024      5.092260 
1 1 1 18 8  23 o 118.0706 2.303830 139.7775       5.456496      136.8020       6.519173      142.7530       8.749379      116.8537 2.789460 119.2875 3.667349 -2.433830      4.607661 
1 1 1 18 8  24 o 138.0765 2.255671 191.2111       6.226583      191.9196       7.545012      190.5027       9.904156      138.3868 2.726059 137.7662 3.594552 0.6205750      4.511341 
1 1 1 18 8  25 o 167.8543 2.575402 282.8139       8.643111      282.3181       9.231127      283.3807       14.62245      167.8368 2.750031 167.8719 4.355240 -0.3507996E-01 5.150804 
1 1 1 18 8  26 o 204.3766 2.668854 419.8285       10.92433      415.7195       11.70362      423.9375       18.45517      203.5930 2.874270 205.1603 4.497743 -1.567368      5.337708 
1 1 1 18 8  27 o 69.04128 3.389448 48.08262       4.726081      45.68806       5.020089      50.47719       8.005506      67.43002 3.722444 70.65252 5.665407 -3.222496      6.778895 
1 1 1 18 8  28 o 32.86150 6.277023 11.74613       4.372564      8.586436       4.527715      14.89874       7.481250      28.49610 7.743552 37.22689 9.881371 -8.730797      12.55405 
1 1 1 18 8  29 o 131.1115 2.990773 173.4290       7.800055      177.1129       8.380984      169.7450       13.15595      132.7581 3.156487 129.4649 5.080895 3.293213       5.981547 
1 1 1 18 8  30 o 106.4640 2.994315 114.5566       6.272632      122.7747       6.983210      106.4095       10.42133      110.5003 3.159814 102.4276 5.087168 8.072746       5.988631 
1 1 1 18 8  31 o 107.9343 2.492642 117.3196       5.380691      117.6738       7.743378      117.0362       7.474166      108.0680 3.582642 107.8007 3.466660 0.2672958      4.985283 
1 1 1 18 8  32 o 52.16718 3.684053 27.79256       3.863896      30.32174       5.943202      25.26339       4.939326      54.49940 5.452539 49.83496 4.955684 4.664444       7.368106 
1 1 1 18 8  33 o 37.49566 6.339785 15.92599       4.885483      20.24755       8.423491      11.61152       4.948535      42.37230 10.07396 32.61901 7.699798 9.753288       12.67957 
1 1 1 18 8  34 o 24.86893 6.627017 5.541510       4.700578      6.400862       8.246379      4.682158       4.518506      27.41954 10.58451 22.31831 7.977312 5.101227       13.25403 
1 1 1 18 8  35 o 71.15273 4.381140 53.80691       5.664072      38.20681       9.422408      69.41411       6.285384      59.68364 7.893628 82.62181 3.803708 -22.93818      8.762280 
1 1 1 18 8  36 o 48.03278 5.725238 25.69555       5.282216      25.94350       9.365732      25.45467       4.885483      46.54183 10.33364 49.52372 4.932468 -2.981888      11.45048 
1 1 1 18 8  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 8  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 8  39 o 16.42874 5.231845 -3.059803      4.188367      -7.665448      7.332476      1.545842       4.055178      15.93606 7.687980 16.92142 7.098153 -0.9853621     10.46369 
1 1 1 18 8  40 o 46.20303 5.276725 26.20563       4.844393      30.81057       8.352647      21.59361       4.906028      48.44714 8.957465 43.95892 5.580243 4.488216       10.55345 
1 1 1 18 8  41 o 27.75120 7.057914 13.29764       5.737042      16.73363       10.52759      9.868733       4.563138      28.67094 11.66580 26.83146 7.947692 1.839487       14.11583 
1 1 1 18 9  0  o 52.01553 6.645627 28.38058       6.731709      28.38058       6.731709      28.38058       6.731709      52.01553 6.645627 52.01553 6.645627 0.000000       0.000000 
1 1 1 18 9  1  o 384.5219 3.205839 1479.956       24.65412      1479.956       34.86291      1479.247       34.87000      384.5680 4.532737 384.4758 4.534745 0.9216309E-01  6.411678 
1 1 1 18 9  2  o 377.2230 3.164256 1423.988       23.87483      1410.527       33.50977      1437.449       34.01277      375.4408 4.462723 379.0052 4.487111 -3.564453      6.328512 
1 1 1 18 9  3  o 49.66918 4.620258 24.79581       4.565971      21.78489       6.429908      27.81382       6.485876      46.63497 6.893870 52.70340 6.153186 -6.068432      9.240517 
1 1 1 18 9  4  o 339.7088 2.944486 1154.776       20.00668      1144.858       28.11845      1164.695       28.46559      338.2503 4.156456 341.1673 4.171794 -2.916992      5.888972 
1 1 1 18 9  5  f 315.3906 2.804145 995.3747       17.69004      1011.669       25.37674      979.0804       24.65412      317.9711 3.990417 312.8101 3.940749 5.160950       5.608291 
1 1 1 18 9  6  o 143.2746 2.321744 205.4510       6.654488      215.5110       9.620775      195.4619       9.195704      146.7716 3.277466 139.7776 3.289406 6.994003       4.643487 
1 1 1 18 9  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 9  8  o 550.6227 4.237323 3036.424       46.66572      3015.879       65.56721      3057.678       66.41736      548.7307 5.974444 552.5148 6.010460 -3.784119      8.474646 
1 1 1 18 9  9  o 150.5824 2.448345 226.8463       7.382068      228.8299       11.29272      224.9334       9.500339      151.2221 3.733820 149.9427 3.167989 1.279373       4.896690 
1 1 1 18 9  10 o 294.9162 2.644754 869.9788       15.60011      869.2704       22.01868      871.3957       22.10369      294.7364 3.735318 295.0960 3.745170 -0.3595886     5.289508 
1 1 1 18 9  11 o 210.6179 2.456476 444.0576       10.37882      462.4065       16.06769      425.7086       13.15595      214.9613 3.737345 206.2746 3.188941 8.686661       4.912951 
1 1 1 18 9  12 o 367.1715 3.043179 1349.601       22.35165      1343.225       31.48360      1355.977       31.72447      366.3047 4.297460 368.0383 4.309942 -1.733551      6.086358 
1 1 1 18 9  13 f 38.99273 4.737854 15.64262       3.570597      18.48351       5.049844      12.80881       5.049844      42.93707 5.880517 35.04839 7.430247 7.888680       9.475709 
1 1 1 18 9  14 o 203.1245 2.243011 412.9565       9.110690      417.2781       12.98592      408.7058       12.78755      204.1781 3.180047 202.0710 3.164125 2.107178       4.486021 
1 1 1 18 9  15 o 88.08157 2.772344 77.71716       4.872732      75.59180       7.417490      79.84251       6.317973      86.86439 4.269581 89.29877 3.537548 -2.434380      5.544688 
1 1 1 18 9  16 o 227.3646 2.338247 517.5240       10.63386      519.8619       15.13961      515.2570       14.93416      227.8691 3.321998 226.8601 3.291492 1.008987       4.676493 
1 1 1 18 9  17 o 156.4735 2.204241 245.1243       6.899612      245.5494       9.790804      244.6992       9.719957      156.6087 3.125881 156.3384 3.108629 0.2703400      4.408481 
1 1 1 18 9  18 o 141.3622 2.685884 200.3502       7.537927      191.0694       12.05077      209.5600       9.061099      138.0555 4.364464 144.6689 3.131669 -6.613373      5.371768 
1 1 1 18 9  19 o 186.5443 2.222158 348.5583       8.288886      342.1822       11.59735      354.8635       11.85240      184.8477 3.137002 188.2408 3.148201 -3.393097      4.444317 
1 1 1 18 9  20 o 29.69485 5.082176 8.883986       3.385691      2.770755       4.804720      14.99793       4.771423      20.79582 8.068587 38.59388 6.181580 -17.79805      10.16435 
1 1 1 18 9  21 o 281.4495 2.596306 794.1744       14.61536      809.7604       21.05519      779.2970       20.28297      284.1401 3.705072 278.7589 3.638085 5.381134       5.192612 
1 1 1 18 9  22 o 47.10269 4.302989 22.61378       3.994960      27.26831       5.701620      17.96634       5.597477      52.03609 5.478524 42.16928 6.636914 9.866814       8.605978 
1 1 1 18 9  23 o 52.80653 3.849653 28.10428       4.052344      29.16696       5.322598      27.04869       6.112522      53.83696 4.943256 51.77609 5.902842 2.060871       7.699307 
1 1 1 18 9  24 o 98.77904 2.641562 97.97889       5.204287      101.7337       6.966206      94.29493       7.736294      100.6831 3.459471 96.87494 3.992928 3.808189       5.283125 
1 1 1 18 9  25 o 107.6894 2.519275 116.4695       5.434533      113.7065       7.127024      119.1616       8.203872      106.4521 3.347525 108.9267 3.765776 -2.474556      5.038551 
1 1 1 18 9  26 o 138.0021 2.605011 191.3528       7.190785      192.7697       10.43549      189.9359       9.897071      138.4981 3.767378 137.5061 3.598776 0.9920349      5.210021 
1 1 1 18 9  27 o 75.48329 3.060357 57.39876       4.624773      56.23690       6.145111      58.55354       6.913073      74.74805 4.110549 76.21853 4.535034 -1.470474      6.120715 
1 1 1 18 9  28 o 151.5922 2.480848 230.9553       7.516674      226.7754       11.27147      235.1351       9.932493      150.1665 3.752990 153.0179 3.245534 -2.851349      4.961696 
1 1 1 18 9  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 9  30 o 20.84569 5.930013 2.301051       3.793759      3.105852       5.591810      1.496959       5.127774      21.99311 8.663879 19.69827 8.099222 2.294840       11.86003 
1 1 1 18 9  31 o 85.95819 2.849583 74.67081       4.884067      71.90786       7.311223      77.43378       6.480209      84.29829 4.336519 87.61809 3.697985 -3.319794      5.699166 
1 1 1 18 9  32 o 33.60195 6.452509 11.55485       4.947119      7.396237       8.409323      15.71346       5.218455      28.81463 10.80189 38.38927 7.061074 -9.574640      12.90502 
1 1 1 18 9  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 9  34 o 57.51409 5.692453 37.23623       5.284342      20.60886       9.124859      53.85650       5.331808      42.14538 10.78131 72.88280 3.657796 -30.73742      11.38491 
1 1 1 18 9  35 o 50.95686 4.479154 28.26014       4.789134      38.29182       8.303054      18.22846       4.770006      60.07742 6.910296 41.83630 5.700798 18.24112       8.958308 
1 1 1 18 9  36 o 49.55699 4.726061 26.45359       4.829516      31.81657       8.218040      21.09769       5.071097      54.20314 7.580780 44.91084 5.645740 9.292297       9.452122 
1 1 1 18 9  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 9  38 o 31.41546 6.576199 12.59627       4.852186      13.60936       8.664365      11.59027       4.371148      31.36836 11.06312 31.46256 7.112880 -0.9419823E-01 13.15240 
1 1 1 18 9  39 o 31.03962 6.202293 11.93033       4.599269      8.749379       7.842561      15.11128       4.804011      26.20447 10.27930 35.87477 6.943332 -9.670296      12.40459 
1 1 1 18 9  40 o 16.58343 5.362107 -1.494125      4.274798      -3.826348      7.339560      0.8388069      4.386024      16.93401 8.033115 16.23285 7.104774 0.7011662      10.72421 
1 1 1 18 10 0  o 97.99608 3.800628 96.49113       7.424574      96.49113       7.424574      96.49113       7.424574      97.99608 3.800628 97.99608 3.800628 0.000000       0.000000 
1 1 1 18 10 1  o 304.9573 2.771614 930.1973       16.90366      922.4042       23.75439      938.6987       24.05902      303.6227 3.911827 306.2920 3.927465 -2.669342      5.543227 
1 1 1 18 10 2  o 516.6638 4.032594 2672.989       41.67822      2623.397       57.95844      2722.580       59.90668      511.8753 5.661383 521.4524 5.744215 -9.577087      8.065188 
1 1 1 18 10 3  o 278.5107 2.635962 775.7547       14.67912      779.2970       20.89224      772.9209       20.63720      279.0821 3.743028 277.9393 3.712537 1.142792       5.271924 
1 1 1 18 10 4  o 301.6835 2.737318 910.3606       16.52110      921.6958       23.60561      899.7338       23.10970      303.5016 3.888878 299.8655 3.853343 3.636017       5.474635 
1 1 1 18 10 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 10 6  o 120.8545 2.616936 146.2244       6.349853      152.9547       9.847479      139.4942       8.019674      123.6315 3.982593 118.0776 3.395935 5.553978       5.233872 
1 1 1 18 10 7  o 134.9262 2.321545 182.1430       6.264839      176.9713       8.763549      187.3855       8.954830      132.9973 3.294634 136.8551 3.271647 -3.857788      4.643090 
1 1 1 18 10 8  o 219.9681 2.341130 484.0851       10.30089      479.3384       14.46659      488.9026       14.66495      218.8819 3.304656 221.0543 3.317047 -2.172440      4.682259 
1 1 1 18 10 9  o 577.2996 4.408164 3338.933       50.88810      3333.974       71.90786      3343.893       72.04955      576.8712 6.232575 577.7281 6.235593 -0.8569336     8.816327 
1 1 1 18 10 10 o 168.4435 2.213395 283.8766       7.452912      281.8221       10.49926      285.9312       10.59135      167.8340 3.127870 169.0529 3.132555 -1.218979      4.426790 
1 1 1 18 10 11 o 66.53354 3.206586 45.07170       4.174906      33.51685       5.814972      56.62655       5.992794      57.85121 5.025800 75.21587 3.983730 -17.36465      6.413171 
1 1 1 18 10 12 o 85.26753 2.768492 72.75800       4.713330      74.10406       6.130942      71.48279       7.162447      86.04348 3.562700 84.49158 4.238557 1.551895       5.536984 
1 1 1 18 10 13 o 182.7144 2.395509 334.3184       8.784801      348.8416       13.65895      319.8660       11.05893      186.6590 3.658799 178.7699 3.093064 7.889084       4.791018 
1 1 1 18 10 14 o 159.8244 2.366939 255.7511       7.580434      261.2062       11.61861      250.2960       9.734127      161.5154 3.596750 158.1334 3.077822 3.382034       4.733878 
1 1 1 18 10 15 f 211.6300 2.382368 448.3791       10.07418      445.6162       15.96142      451.2129       12.29872      210.9365 3.783465 212.3235 2.896222 -1.387009      4.764736 
1 1 1 18 10 16 o 109.5496 2.557010 120.2243       5.615897      124.0499       8.572267      116.3986       7.254546      111.2818 3.851603 107.8173 3.364277 3.464493       5.114020 
1 1 1 18 10 17 f 157.9700 2.295488 249.9418       7.268716      254.9009       11.60444      244.9118       8.763549      159.5217 3.637262 156.4183 2.801318 3.103333       4.590975 
1 1 1 18 10 18 f 174.7811 2.292932 305.9095       8.005506      302.3672       12.57502      309.5226       9.904156      173.7275 3.619180 175.8347 2.816326 -2.107224      4.585864 
1 1 1 18 10 19 o 71.11861 3.101676 50.76057       4.423573      52.77257       6.751545      48.74857       5.717206      72.51433 4.655318 69.72290 4.099948 2.791428       6.203351 
1 1 1 18 10 20 o 29.07719 5.859108 8.373900       3.819972      4.486625       5.742002      12.27038       5.040634      23.98851 8.939089 34.16586 7.576891 -10.17735      11.71822 
1 1 1 18 10 21 o 50.59856 4.733540 27.29665       4.349894      16.54943       6.163530      38.04386       6.139443      39.69380 8.044504 61.50333 4.991147 -21.80954      9.467079 
1 1 1 18 10 22 o 161.9020 2.429933 262.9065       7.877984      265.5986       11.97283      260.1435       10.23004      162.7086 3.679226 161.0954 3.175151 1.613205       4.859865 
1 1 1 18 10 23 o 212.4995 2.550899 453.3383       10.81806      440.0903       16.23771      466.5863       14.29656      209.3323 3.878454 215.6667 3.314503 -6.334366      5.101798 
1 1 1 18 10 24 f 195.7605 2.757006 384.9019       10.78264      383.4850       18.16470      386.3896       11.61861      195.2062 4.652697 196.3149 2.959177 -1.108688      5.514011 
1 1 1 18 10 25 o 100.7062 2.848264 102.0171       5.768215      105.2051       9.691620      98.82903       6.262714      102.1711 4.742841 99.24130 3.155296 2.929756       5.696528 
1 1 1 18 10 26 o 18.10857 5.673221 -1.363061      4.096268      0.5444452      6.862064      -3.270214      4.475290      21.64816 9.164230 14.56898 6.690188 7.079183       11.34644 
1 1 1 18 10 27 o 43.28419 5.229773 19.48951       4.464664      21.11186       7.530843      17.86716       4.799760      44.56806 8.760866 42.00032 5.713957 2.567738       10.45955 
1 1 1 18 10 28 o 128.9714 2.917131 167.6197       7.537927      169.3200       12.67420      165.9194       8.154280      129.4247 4.896361 128.5182 3.172423 0.9065399      5.834263 
1 1 1 18 10 29 o 48.71916 5.608577 24.96584       5.242543      23.27264       8.395153      26.65196       6.280425      46.35787 9.382526 51.08045 6.147582 -4.722584      11.21715 
1 1 1 18 10 30 o 39.02985 6.053817 16.50693       4.666572      18.62520       7.601687      14.38157       5.415406      41.37629 9.397877 36.68341 7.633789 4.692879       12.10763 
1 1 1 18 10 31 o 143.7555 2.542889 208.4974       7.297054      206.3011       11.34940      210.6227       9.188620      142.8739 3.971824 144.6372 3.176437 -1.763336      5.085778 
1 1 1 18 10 32 o 91.56744 2.664077 84.80168       4.883358      86.64365       7.190785      82.95970       6.606313      92.52953 3.885671 90.60534 3.645653 1.924194       5.328154 
1 1 1 18 10 33 o 59.16338 4.743617 36.61279       5.646361      38.27765       9.677451      34.94793       5.819223      59.93487 8.073307 58.39189 4.982904 1.542984       9.487234 
1 1 1 18 10 34 o 94.08562 3.355319 90.89436       6.356230      94.36578       11.12978      87.35210       6.140860      95.29085 5.839898 92.88038 3.305790 2.410469       6.710638 
1 1 1 18 10 35 o 48.87310 5.926316 27.45959       5.091643      15.80556       8.756464      39.11362       5.197202      36.01588 11.07990 61.73033 4.209601 -25.71445      11.85263 
1 1 1 18 10 36 o 18.81807 6.019478 -1.819304      5.063305      -3.490542      8.841478      -0.1482790     4.936492      20.42235 9.388766 17.21378 7.535749 3.208574       12.03896 
1 1 1 18 10 37 o 25.59937 5.597656 2.721872       4.857145      -7.459997      8.487252      12.90091       4.725374      17.79769 8.508560 33.40106 7.275946 -15.60337      11.19531 
1 1 1 18 10 38 o 66.45660 4.484372 48.56437       5.513172      40.87767       9.762465      56.25815       5.130608      59.02735 8.269444 73.88586 3.471982 -14.85851      8.968743 
1 1 1 18 10 39 o 23.97065 6.191412 7.367898       3.974414      10.93850       6.612689      3.794467       4.410112      28.33240 9.694616 19.60890 7.703814 8.723497       12.38282 
1 1 1 18 10 40 o 15.45260 5.131025 -2.953535      4.019047      1.895108       6.362606      -7.800055      4.911696      18.95199 8.404853 11.95320 5.887963 6.998786       10.26205 
1 1 1 18 11 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 11 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 11 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 11 3  f 141.2967 2.385162 199.7126       6.741627      200.2793       9.535762      199.2166       9.528677      141.4847 3.369892 141.1087 3.376361 0.3760071      4.770324 
1 1 1 18 11 4  o 232.3882 2.426641 540.4778       11.27855      524.8919       15.67095      555.9930       16.23063      229.0446 3.420939 235.7318 3.442605 -6.687256      4.853282 
1 1 1 18 11 5  o 371.9921 3.111821 1385.023       23.15220      1388.566       32.78006      1381.481       32.70213      372.4678 4.400389 371.5164 4.401170 0.9514465      6.223642 
1 1 1 18 11 6  o 353.8641 2.994121 1253.251       21.18979      1254.668       30.03127      1251.834       29.90375      354.0637 4.240942 353.6646 4.227700 0.3991089      5.988242 
1 1 1 18 11 7  o 215.2481 2.329683 463.5400       10.03168      457.5182       14.11944      469.6327       14.24696      213.8415 3.301380 216.6546 3.287944 -2.813080      4.659366 
1 1 1 18 11 8  o 311.3517 2.857719 970.5789       17.76089      955.7015       27.94842      984.7480       21.92658      308.9900 4.522545 313.7135 3.494683 -4.723480      5.715437 
1 1 1 18 11 9  o 97.08992 2.622099 94.36578       5.067555      90.82352       7.962997      97.90804       6.266256      95.25751 4.179722 98.92233 3.167261 -3.664818      5.244198 
1 1 1 18 11 10 o 88.18318 2.790949 78.14223       4.825974      68.05388       7.502505      88.27309       6.073557      82.44261 4.550138 93.92375 3.233238 -11.48114      5.581898 
1 1 1 18 11 11 o 209.1149 2.386128 437.6815       9.989170      441.8614       15.89766      433.5016       12.10744      210.0901 3.783533 208.1398 2.908488 1.950348       4.772255 
1 1 1 18 11 12 o 201.8036 2.467296 407.7848       9.982086      419.2618       15.44425      396.3079       12.65295      204.6249 3.773795 198.9824 3.179414 5.642502       4.934593 
1 1 1 18 11 13 o 64.30355 3.344281 41.50111       4.342809      44.54036       7.049096      38.45476       5.074640      66.64652 5.288419 61.96058 4.095055 4.685944       6.688561 
1 1 1 18 11 14 o 156.8407 2.310921 246.3287       7.219123      238.3940       11.37774      254.2634       8.883986      154.2900 3.687127 159.3913 2.786847 -5.101364      4.621842 
1 1 1 18 11 15 o 112.8693 2.429966 127.5922       5.505378      131.1344       8.806056      124.0499       6.608438      114.4170 3.848230 111.3216 2.968175 3.095413       4.859932 
1 1 1 18 11 16 o 184.7433 2.937791 342.0405       10.85348      343.3866       13.80772      340.6945       16.74072      185.1456 3.728883 184.3410 4.540693 0.8046265      5.875582 
1 1 1 18 11 17 o 311.1608 2.991421 970.5789       18.61811      971.2875       28.16804      969.8705       24.34949      311.2196 4.525428 311.1021 3.913425 0.1175842      5.982842 
1 1 1 18 11 18 f 148.3298 2.406917 220.4702       7.155363      227.2713       10.93141      213.6691       9.238212      150.5998 3.629291 146.0598 3.162476 4.540039       4.813835 
1 1 1 18 11 19 o 132.7021 2.453843 176.5462       6.519173      178.3882       10.00334      174.6334       8.359732      133.3822 3.749879 132.0220 3.166038 1.360199       4.907686 
1 1 1 18 11 20 o 19.48344 5.881907 -0.2993209     4.143734      -1.772546      6.692744      1.173905       4.887609      19.78068 8.715494 19.18619 7.901108 0.5944881      11.76381 
1 1 1 18 11 21 o 121.3703 2.969690 147.9956       7.176617      141.1236       10.98809      154.8676       9.224042      118.4961 4.636476 124.2445 3.712052 -5.748413      5.939380 
1 1 1 18 11 22 o 192.8434 2.731831 373.4249       10.57718      380.1552       17.97342      366.6238       11.14395      194.4271 4.622149 191.2597 2.913303 3.167450       5.463662 
1 1 1 18 11 23 o 21.18273 6.116728 1.926280       4.181991      1.974455       7.054762      1.878106       4.493710      23.13348 9.503814 19.23198 7.702921 3.901495       12.23346 
1 1 1 18 11 24 o 64.49099 3.767056 41.95451       4.852895      41.84116       8.118857      42.06078       5.318347      64.29444 6.313810 64.68754 4.110798 -0.3930969     7.534113 
1 1 1 18 11 25 o 110.8994 2.850230 123.7665       6.247128      117.1779       10.41424      130.3551       6.902445      107.8086 4.829966 113.9901 3.027652 -6.181458      5.700460 
1 1 1 18 11 26 o 127.4021 2.814336 163.2981       7.183701      164.7859       12.14995      161.8104       7.658363      127.8194 4.752778 126.9847 3.015468 0.8347626      5.628672 
1 1 1 18 11 27 o 165.5265 2.458798 275.3044       8.133026      274.1708       12.92216      276.4379       9.882903      165.0803 3.913902 165.9727 2.977268 -0.8924103     4.917596 
1 1 1 18 11 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 11 29 o 67.60294 3.520361 46.31858       4.763630      46.75073       7.552096      45.88642       5.807179      67.80543 5.568946 67.40044 4.307969 0.4049835      7.040721 
1 1 1 18 11 30 o 37.78113 5.796794 15.09711       4.370439      13.96358       7.212039      16.23771       4.932950      35.73101 9.801355 39.83125 6.192311 -4.100235      11.59359 
1 1 1 18 11 31 o 112.3783 2.848243 127.7339       6.419281      130.2134       10.71888      125.3251       7.068224      113.2075 4.734171 111.5491 3.168212 1.658447       5.696485 
1 1 1 18 11 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 11 33 f 139.3783 2.783777 197.4455       7.856731      210.5519       13.42516      184.2683       8.175533      143.6040 4.674368 135.1526 3.024556 8.451416       5.567554 
1 1 1 18 11 34 o 118.3797 4.854671 148.2081       10.54885      123.6248       19.57452      172.7206       7.870899      106.0273 9.230887 130.7320 3.010319 -24.70470      9.709341 
1 1 1 18 11 35 o 60.79061 5.996098 41.26023       6.497211      35.64929       11.79572      46.87117       5.455787      53.96900 11.29312 67.61221 4.034616 -13.64321      11.99220 
1 1 1 18 11 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 11 37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 11 38 o 37.25620 5.721086 16.62028       4.288967      15.61428       7.474166      17.63337       4.213163      34.03434 10.19014 40.47805 5.204257 -6.443707      11.44217 
1 1 1 18 11 39 o 29.93402 6.530558 11.80281       5.160363      9.996255       9.181536      13.60936       4.708370      26.50774 10.85802 33.36029 7.259208 -6.852558      13.06112 
1 1 1 18 11 40 f 20.92366 6.171191 4.600686       4.798344      3.640025       8.430575      5.562055       4.580849      20.88622 9.446259 20.96111 7.943714 -0.7489967E-01 12.34238 
1 1 1 18 12 0  o 278.4058 3.698874 775.7547       20.58761      775.7547       20.58761      775.7547       20.58761      278.4058 3.698874 278.4058 3.698874 0.000000       0.000000 
1 1 1 18 12 1  o 315.8261 2.811061 998.2086       17.75380      991.1240       24.98001      1005.293       25.24214      314.7057 3.968788 316.9465 3.982082 -2.240753      5.622122 
1 1 1 18 12 2  o 61.01083 3.536228 37.30707       4.304553      34.74956       6.142985      39.87167       6.031758      58.91133 5.213756 63.11033 4.778742 -4.199001      7.072455 
1 1 1 18 12 3  o 345.2541 2.955925 1193.033       20.41050      1177.447       28.57186      1208.619       29.15988      342.9998 4.164997 347.5084 4.195565 -4.508606      5.911849 
1 1 1 18 12 4  o 225.5811 2.482074 509.1643       11.20062      509.1643       17.84590      509.1643       13.53143      225.5634 3.955850 225.5988 2.999003 -0.3541565E-01 4.964149 
1 1 1 18 12 5  o 71.77719 3.302119 51.62488       4.699870      48.34475       7.346645      54.90501       5.863855      69.48412 5.286564 74.07026 3.958307 -4.586143      6.604238 
1 1 1 18 12 6  o 298.8159 2.793912 893.3577       16.64862      872.8126       26.04977      914.6113       20.74347      295.2935 4.410828 302.3383 3.430506 -7.044891      5.587824 
1 1 1 18 12 7  o 131.2635 2.577611 172.4372       6.747295      166.4153       10.09544      178.5298       8.961915      128.9509 3.914450 133.5761 3.354609 -4.625229      5.155223 
1 1 1 18 12 8  o 172.8610 2.359512 299.1083       8.203872      310.4436       13.29056      287.7731       9.613690      176.1222 3.773106 169.5997 2.834230 6.522491       4.719024 
1 1 1 18 12 9  f 336.0424 3.008085 1130.689       20.25464      1146.983       32.34791      1114.395       24.38491      338.4100 4.779396 333.6748 3.653993 4.735229       6.016169 
1 1 1 18 12 10 o 215.2231 2.444062 463.6817       10.54885      473.1749       16.95325      454.2593       12.56085      217.3892 3.899285 213.0571 2.947767 4.332184       4.888124 
1 1 1 18 12 11 o 28.23834 5.935374 7.750463       3.783841      5.513172       6.002712      9.996255       4.608479      25.55896 9.188714 30.91772 7.515464 -5.358761      11.87075 
1 1 1 18 12 12 o 161.5835 2.315951 261.4187       7.445828      252.0671       11.68946      270.8411       9.238212      158.6590 3.683829 164.5079 2.807832 -5.848892      4.631902 
1 1 1 18 12 13 o 157.7706 2.574196 249.3750       8.125941      258.0181       11.71071      240.6611       11.26438      160.5167 3.647816 155.0246 3.633096 5.492142       5.148393 
1 1 1 18 12 14 o 200.8453 2.893079 404.2426       11.68237      415.4361       19.58161      393.0490       12.74505      203.5532 4.809948 198.1374 3.216214 5.415802       5.786159 
1 1 1 18 12 15 o 472.6325 4.050420 2242.958       38.27765      2234.457       57.85217      2251.460       50.13005      471.5957 6.133663 473.6693 5.291671 -2.073669      8.100840 
1 1 1 18 12 16 o 160.9608 2.805503 259.6476       9.054014      263.1190       14.90582      256.1762       10.27255      161.9780 4.601188 159.9437 3.211303 2.034332       5.611007 
1 1 1 18 12 17 o 77.41199 3.503721 60.17589       5.384942      57.59005       8.664365      62.76174       6.399445      75.69993 5.722836 79.12404 4.043932 -3.424110      7.007442 
1 1 1 18 12 18 o 114.5960 2.863561 131.7012       6.586476      134.6767       10.74013      128.7965       7.622942      115.8214 4.636506 113.3707 3.361954 2.450691       5.727121 
1 1 1 18 12 19 o 65.02707 3.668802 42.54253       4.738125      41.27440       7.941744      43.80357       5.172406      63.97923 6.206502 66.07491 3.914047 -2.095680      7.337605 
1 1 1 18 12 20 o 66.38235 3.625309 44.68914       4.961997      52.50336       8.494337      36.87492       5.132733      72.16711 5.885186 60.59758 4.235097 11.56952       7.250618 
1 1 1 18 12 21 o 86.94888 3.081849 76.08772       5.441618      82.25125       9.224042      69.92419       5.776008      90.40094 5.101740 83.49681 3.458819 6.904129       6.163699 
1 1 1 18 12 22 f 94.82036 2.763499 90.39845       5.203578      86.00604       8.239295      94.72000       6.356938      92.46952 4.455141 97.17120 3.270999 -4.701675      5.526999 
1 1 1 18 12 23 o 184.6049 2.645080 342.4656       9.656199      322.4872       15.75597      362.4439       11.17229      179.0711 4.399361 190.1388 2.937929 -11.06767      5.290161 
1 1 1 18 12 24 o 221.7798 2.512279 494.0742       11.13686      492.5865       17.74672      495.5620       13.46058      221.3102 4.009467 222.2495 3.028259 -0.9393463     5.024558 
1 1 1 18 12 25 o 71.90131 3.373021 52.14914       4.863521      55.34425       7.297054      48.96111       6.428492      74.08504 4.924782 69.71758 4.610381 4.367470       6.746042 
1 1 1 18 12 26 f 145.6695 2.454751 213.1731       7.141194      210.4810       11.25021      215.9361       8.791886      144.6501 3.888767 146.6888 2.996781 -2.038696      4.909501 
1 1 1 18 12 27 o 79.14524 3.583053 63.54104       5.753337      69.93836       9.472000      57.13664       6.529091      83.02094 5.704585 75.26954 4.337141 7.751404       7.166106 
1 1 1 18 12 28 o 101.4795 3.217201 104.2133       6.550345      106.6220       10.77555      101.8045       7.452912      102.4538 5.258739 100.5053 3.707721 1.948456       6.434403 
1 1 1 18 12 29 o 142.2467 2.710434 204.0341       7.736294      208.4974       12.85132      199.5708       8.621859      143.5923 4.474931 140.9011 3.059542 2.691223       5.420867 
1 1 1 18 12 30 o 32.28449 6.340540 11.21479       4.361938      11.16520       7.219123      11.26438       4.899652      32.25605 10.08823 32.31294 7.683577 -0.5688858E-01 12.68108 
1 1 1 18 12 31 o 72.94039 3.678746 54.55787       5.183742      46.67989       8.501422      62.43586       5.929741      67.29475 6.316556 78.58603 3.772771 -11.29128      7.357491 
1 1 1 18 12 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 12 33 f 20.85095 5.914645 1.557177       4.067930      -2.002085      6.333559      5.117147       5.106521      18.40618 8.262766 23.29573 8.465153 -4.889555      11.82929 
1 1 1 18 12 34 o 116.9757 2.716948 139.6358       6.325766      134.0391       9.769550      145.2326       8.033843      114.3576 4.271490 119.5937 3.358808 -5.236031      5.433895 
1 1 1 18 12 35 o 65.51566 3.856962 44.87334       4.961997      39.73706       7.665448      50.00961       6.304513      61.33425 6.248914 69.69706 4.522797 -8.362812      7.713923 
1 1 1 18 12 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 12 37 o 76.01436 4.121800 64.02987       6.590019      78.07139       12.04368      49.99545       5.357312      82.69086 7.282353 69.33785 3.863195 13.35300       8.243600 
1 1 1 18 12 38 o 35.83438 5.628740 14.54451       5.103686      4.349185       9.209873      24.73914       4.405862      23.48608 10.28724 48.18267 4.572040 -24.69660      11.25748 
1 1 1 18 12 39 o 25.83093 6.448403 8.366816       5.212080      7.282885       9.564099      9.450747       4.149402      24.28922 10.56136 27.37265 7.401713 -3.083427      12.89681 
1 1 1 18 13 0  o 95.72752 3.787231 92.09874       7.226208      92.09874       7.226208      92.09874       7.226208      95.72752 3.787231 95.72752 3.787231 0.000000       0.000000 
1 1 1 18 13 1  o 89.77792 2.896255 80.69266       5.225540      83.59731       8.373900      77.78800       6.249961      91.38514 4.581653 88.17070 3.544240 3.214439       5.792511 
1 1 1 18 13 2  o 329.7736 2.983057 1088.890       19.63120      1069.054       30.78931      1108.019       24.36366      326.7868 4.710917 332.7603 3.660842 -5.973419      5.966114 
1 1 1 18 13 3  o 41.42263 5.485458 17.71838       4.323681      13.63061       6.927950      21.81323       5.175949      36.17628 9.466240 46.66897 5.545386 -10.49268      10.97092 
1 1 1 18 13 4  o 255.8109 2.613889 654.9637       13.33306      637.6774       20.89933      672.2499       16.54943      252.4117 4.139928 259.2101 3.192283 -6.798309      5.227779 
1 1 1 18 13 5  o 56.39047 4.090551 32.18496       4.411529      25.68846       7.091603      38.68147       5.253878      50.61657 7.005218 62.16438 4.225795 -11.54781      8.181102 
1 1 1 18 13 6  o 193.7255 2.397463 375.5503       9.287803      375.5503       14.77830      375.5503       11.25730      193.7080 3.814582 193.7429 2.905215 -0.3489685E-01 4.794926 
1 1 1 18 13 7  o 180.0640 2.390684 324.5417       8.579351      315.4736       13.55977      333.6100       10.50634      177.5288 3.819033 182.5992 2.876886 -5.070343      4.781369 
1 1 1 18 13 8  o 64.84934 3.450516 42.13871       4.464664      41.57903       7.176617      42.69130       5.317639      64.40286 5.571660 65.29582 4.071960 -0.8929596     6.901032 
1 1 1 18 13 9  f 358.0561 3.141303 1284.423       22.45084      1262.461       35.15338      1306.385       27.92717      354.9171 4.952336 361.1950 3.865941 -6.277893      6.282605 
1 1 1 18 13 10 o 168.0713 2.437993 282.8139       8.203872      285.8603       12.61753      279.7676       10.48509      168.9598 3.733885 167.1828 3.135815 1.776978       4.875985 
1 1 1 18 13 11 o 229.0457 2.760284 525.4587       12.64586      533.1808       18.36307      517.7366       17.39958      230.7219 3.979482 227.3695 3.826277 3.352341       5.520568 
1 1 1 18 13 12 o 247.0796 3.026906 611.8898       14.86332      589.0777       24.04485      634.7019       17.47751      242.3891 4.959970 251.7701 3.470926 -9.380936      6.053811 
1 1 1 18 13 13 o 153.5839 2.812714 236.4104       8.706873      245.8328       14.58702      226.9879       9.500339      156.5936 4.657606 150.5743 3.154702 6.019302       5.625427 
1 1 1 18 13 14 f 45.49404 5.771352 22.54293       4.814638      8.862731       7.885069      36.22314       5.530883      30.88217 10.58609 60.10591 4.600948 -29.22374      11.54270 
1 1 1 18 13 15 o 28.90631 6.234075 6.718248       4.943576      17.69004       7.934660      -4.255670      5.901403      40.98163 9.798923 16.83098 7.709468 24.15065       12.46815 
1 1 1 18 13 16 o 119.9802 2.834070 144.3825       6.852146      149.3416       11.72488      139.3525       7.091603      121.9932 4.805547 117.9673 3.005749 4.025848       5.668140 
1 1 1 18 13 17 f 81.72934 3.271413 67.05496       5.338893      66.63698       9.054014      67.47295       5.656987      81.40467 5.561114 82.05401 3.447113 -0.6493378     6.542827 
1 1 1 18 13 18 o 35.50869 5.464642 13.28347       3.807220      14.53743       6.062222      12.02951       4.608479      37.13157 8.364094 33.88580 7.034996 3.245766       10.92928 
1 1 1 18 13 19 o 104.2539 2.977289 109.1016       6.206746      109.2433       10.54885      109.0307       6.543260      104.2093 5.061373 104.2984 3.136797 -0.8909607E-01 5.954577 
1 1 1 18 13 20 o 44.19390 4.510470 19.77997       4.031799      21.94784       6.464623      17.61920       4.819597      46.57938 6.939361 41.80841 5.763908 4.770966       9.020941 
1 1 1 18 13 21 o 172.2402 2.377832 297.6914       8.161365      288.4815       12.75922      306.9013       10.17337      169.5053 3.763664 174.9752 2.907089 -5.469894      4.755663 
1 1 1 18 13 22 o 59.64919 3.642721 35.87600       4.320138      34.27490       6.748711      37.47710       5.394860      58.25607 5.792282 61.04230 4.418952 -2.786228      7.285442 
1 1 1 18 13 23 o 134.8327 2.663808 182.7097       7.226208      189.1566       12.10036      176.2628       7.913406      137.0956 4.413111 132.5698 2.984618 4.525726       5.327616 
1 1 1 18 13 24 o 67.86555 3.639860 46.74364       4.774257      39.44660       7.743378      54.04070       5.584017      62.39929 6.204700 73.33182 3.807363 -10.93253      7.279719 
1 1 1 18 13 25 o 105.7728 2.873425 112.5730       6.089851      113.8482       10.09544      111.3686       6.808222      106.2300 4.751691 105.3156 3.232295 0.9143677      5.746851 
1 1 1 18 13 26 o 27.04155 6.422923 6.289635       4.449785      3.212120       7.247461      9.365732       5.164613      24.33060 9.766864 29.75250 8.344106 -5.421898      12.84585 
1 1 1 18 13 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 13 28 o 79.98643 3.493938 64.83042       5.562763      63.35685       9.103605      66.30400       6.392360      78.88699 5.770030 81.08587 3.941723 -2.198883      6.987877 
1 1 1 18 13 29 o 20.58663 5.864713 0.4811096      4.103353      -4.344935      6.099770      5.307721       5.491210      16.87239 7.773827 24.30087 8.783339 -7.428476      11.72943 
1 1 1 18 13 30 o 69.70081 3.455819 49.43577       4.830225      51.40526       7.424574      47.45919       6.184076      71.00812 5.227976 68.39350 4.520953 2.614616       6.911639 
1 1 1 18 13 31 o 103.3500 8.051059 0.000000       0.000000      ?              ?             113.0689       16.64153      ?        ?        103.3500 8.051059 ?              ?        
1 1 1 18 13 32 o 132.8912 2.640979 179.3091       7.076016      194.8951       11.21479      163.7232       8.636027      138.5255 4.047916 127.2569 3.393148 11.26864       5.281958 
1 1 1 18 13 33 o 99.73124 2.865855 101.5211       5.752628      109.3850       9.004422      93.65733       7.162447      103.4573 4.351758 96.00517 3.730241 7.452133       5.731709 
1 1 1 18 13 34 o 80.14581 3.320535 66.48820       5.253170      62.19498       8.437660      70.78142       6.259171      77.07645 5.473567 83.21518 3.760835 -6.138733      6.641070 
1 1 1 18 13 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 13 36 o 41.49464 5.179077 19.46825       4.231582      21.36691       6.723207      17.56960       5.141234      42.80584 8.146600 40.18343 6.397207 2.622410       10.35815 
1 1 1 18 13 37 o 33.21225 6.321565 12.89382       5.297094      10.52051       9.769550      15.26005       4.091309      28.78098 11.41566 37.64351 5.434282 -8.862524      12.64313 
1 1 1 18 13 38 o 25.77513 6.553484 8.338477       5.178782      8.664365       9.599521      8.005506       3.890817      25.97355 10.90937 25.57671 7.264859 0.3968430      13.10697 
1 1 1 18 13 39 o 61.44042 5.057100 45.60304       5.943910      45.63138       10.72596      45.57470       5.127774      57.52833 9.322329 65.35251 3.923165 -7.824177      10.11420 
1 1 1 18 14 0  o 195.5866 3.790175 383.1307       14.81373      383.1307       14.81373      383.1307       14.81373      195.5866 3.790175 195.5866 3.790175 0.000000       0.000000 
1 1 1 18 14 1  o 104.4442 2.625993 109.4558       5.487668      99.04156       7.452912      119.7992       8.055097      99.47885 3.745979 109.4095 3.681169 -9.930656      5.251986 
1 1 1 18 14 2  o 185.0997 2.369457 342.8198       8.770633      345.5119       12.43333      340.1985       12.37665      185.8171 3.345582 184.3824 3.356246 1.434708       4.738914 
1 1 1 18 14 3  o 363.7418 3.191426 1324.805       23.18763      1312.761       36.55611      1336.849       28.54352      362.0298 5.048770 365.4538 3.905216 -3.423981      6.382852 
1 1 1 18 14 4  o 110.5698 2.634244 122.4205       5.841893      124.9001       9.450747      119.8700       6.872690      111.6909 4.230759 109.4486 3.139689 2.242325       5.268488 
1 1 1 18 14 5  o 241.2819 2.559745 582.8433       12.29872      564.7778       19.31948      600.9796       15.23880      237.5036 4.067197 245.0602 3.109194 -7.556641      5.119491 
1 1 1 18 14 6  o 296.8438 2.816010 882.7309       16.74780      894.7746       26.79365      869.9788       20.10586      298.8769 4.482388 294.8108 3.409961 4.066132       5.632019 
1 1 1 18 14 7  o 151.6946 2.530564 230.5302       7.644195      220.2577       11.64695      240.7319       9.904156      148.3062 3.926656 155.0830 3.193178 -6.776840      5.061128 
1 1 1 18 14 8  f 185.0737 2.855888 343.1032       10.54885      340.1277       17.43500      346.0079       11.89491      184.2264 4.731948 185.9210 3.198914 -1.694580      5.711776 
1 1 1 18 14 9  o 119.5430 3.002210 143.1781       7.204955      146.0119       12.06493      140.3443       7.877984      120.6846 4.998539 118.4015 3.326811 2.283157       6.004420 
1 1 1 18 14 10 o 311.0960 3.442566 970.5789       21.38107      960.6606       34.97626      979.7889       24.59744      309.4290 5.651744 312.7631 3.932281 -3.334076      6.885132 
1 1 1 18 14 11 o 146.4587 3.038084 215.7236       8.756464      189.6525       13.44641      241.7946       11.21479      137.5322 4.888462 155.3852 3.608706 -17.85307      6.076168 
1 1 1 18 14 12 o 272.0595 3.093408 742.4575       16.69821      714.1194       27.87049      770.0871       18.39141      266.7964 5.223177 277.3226 3.315887 -10.52625      6.186815 
1 1 1 18 14 13 o 26.91355 7.504746 3.139858       6.894653      0.8976084      12.97884      5.382816       4.657362      29.82328 12.61309 24.00381 8.136024 5.819473       15.00949 
1 1 1 18 14 14 o 188.1529 2.433994 354.6509       9.195704      363.7900       14.89874      345.5119       10.77555      190.5333 3.909748 185.7724 2.900202 4.760818       4.867988 
1 1 1 18 14 15 o 155.5982 2.692445 242.6447       8.380984      242.8573       11.74613      242.4322       11.95158      155.6695 3.772779 155.5269 3.842287 0.1425629      5.384889 
1 1 1 18 14 16 o 84.65608 2.838071 72.04955       4.859271      78.92152       7.821308      65.16339       5.763256      88.68161 4.409769 80.63055 3.573866 8.051064       5.676141 
1 1 1 18 14 17 o 85.73671 2.904183 73.74983       4.957037      71.55363       7.906322      76.01688       5.981458      84.39413 4.684165 87.07929 3.434489 -2.685158      5.808367 
1 1 1 18 14 18 o 201.1637 2.457359 405.8012       9.882903      406.0846       15.76305      405.5178       11.93741      201.1578 3.918080 201.1696 2.967002 -0.1176453E-01 4.914718 
1 1 1 18 14 19 o 79.14790 3.051192 62.93177       4.844393      64.45494       7.715039      61.40860       5.859605      80.06274 4.818121 78.23305 3.744968 1.829697       6.102383 
1 1 1 18 14 20 o 40.65425 5.257358 17.10911       4.125315      15.59302       6.646695      18.63228       4.889026      38.33576 8.843077 42.97274 5.688520 -4.636974      10.51472 
1 1 1 18 14 21 o 228.3085 2.958047 523.9709       13.50309      524.5377       21.88408      523.4042       15.83390      228.2460 4.793966 228.3709 3.466707 -0.1248169     5.916094 
1 1 1 18 14 22 o 130.4437 2.795328 171.0911       7.233293      161.9521       11.46275      180.2301       8.827310      126.8616 4.517818 134.0258 3.293139 -7.164215      5.590657 
1 1 1 18 14 23 o 129.6430 2.720083 168.9658       7.073891      171.9413       11.71071      165.9902       7.934660      130.6645 4.481213 128.6216 3.084497 2.042892       5.440165 
1 1 1 18 14 24 o 83.35770 3.210900 70.05171       5.385650      72.68716       8.940661      67.40210       6.009797      84.82086 5.270320 81.89452 3.669230 2.926338       6.421801 
1 1 1 18 14 25 o 16.01244 5.346649 -6.853562      4.529132      -7.580434      7.247461      -6.128108      5.437367      17.25582 8.111996 14.76906 6.967218 2.486754       10.69330 
1 1 1 18 14 26 o 82.17052 3.791645 68.74816       6.137318      59.98461       9.252379      77.50462       8.062181      76.76251 6.026627 87.57852 4.602830 -10.81601      7.583290 
1 1 1 18 14 27 o 170.3879 2.711240 292.7323       9.238212      292.7323       14.16195      292.6614       11.86657      170.2763 4.158522 170.4995 3.479941 -0.2232819     5.422481 
1 1 1 18 14 28 o 124.7912 2.702260 157.0638       6.745878      157.4888       10.24421      156.5679       8.777717      124.8959 4.101101 124.6865 3.519914 0.2093582      5.404519 
1 1 1 18 14 29 o 78.28644 3.366085 62.41460       5.207829      55.31592       7.792970      69.51329       6.906697      73.68243 5.288215 82.89044 4.166160 -9.208015      6.732170 
1 1 1 18 14 30 o 43.00018 5.318136 19.82248       4.324390      15.43008       6.646695      24.20780       5.534425      37.41216 8.983015 48.58820 5.695236 -11.17604      10.63627 
1 1 1 18 14 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 14 32 o 154.6452 2.625703 242.9281       8.090520      231.8054       12.14286      254.0508       10.69054      150.9001 4.023479 158.3904 3.374743 -7.490311      5.251407 
1 1 1 18 14 33 o 94.07039 2.903742 90.54014       5.421073      86.28942       8.558097      94.79085       6.658739      91.55180 4.673910 96.58897 3.446945 -5.037170      5.807484 
1 1 1 18 14 34 f 27.59346 6.259532 7.885069       4.232999      4.496543       6.619773      11.27855       5.276549      23.69664 9.397578 31.49029 8.271185 -7.793646      12.51906 
1 1 1 18 14 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 14 36 o 21.87280 6.513509 3.608853       4.862813      3.107270       6.880484      4.109729       6.872690      21.47280 9.136748 22.27281 9.285635 -0.8000164     13.02702 
1 1 1 18 14 37 o 38.90495 4.987441 17.64045       3.802969      18.78814       6.075682      16.48567       4.575890      39.23258 8.020213 38.57732 5.930803 0.6552582      9.974881 
1 1 1 18 14 38 o 25.75797 6.541271 8.246379       5.296385      7.074599       9.656199      9.422408       4.355562      24.32467 10.59491 27.19126 7.674681 -2.866581      13.08254 
1 1 1 18 14 39 o 27.68293 6.366513 11.29272       5.070390      10.47800       9.181536      12.10744       4.297468      24.74213 10.54201 30.62373 7.141151 -5.881599      12.73303 
1 1 1 18 15 0  o 272.0518 5.165493 741.7490       28.08303      741.7490       28.08303      741.7490       28.08303      272.0518 5.165493 272.0518 5.165493 0.000000       0.000000 
1 1 1 18 15 1  o 188.7959 2.360195 356.7763       8.912323      358.1932       12.65295      355.3594       12.55377      189.1704 3.344325 188.4213 3.331301 0.7490997      4.720390 
1 1 1 18 15 2  o 170.7669 2.365196 291.8821       8.076350      286.9230       11.34231      296.9121       11.50526      169.3057 3.349655 172.2281 3.340121 -2.922440      4.730391 
1 1 1 18 15 3  o 296.7885 2.994418 882.0225       17.81048      903.2760       27.33916      861.4774       22.82631      300.2666 4.552480 293.3103 3.891155 6.956329       5.988837 
1 1 1 18 15 4  o 50.31441 4.853051 25.42633       4.883358      25.49010       6.954871      25.36257       6.857813      50.37623 6.902929 50.25261 6.823341 0.1236229      9.706102 
1 1 1 18 15 5  o 21.29711 6.281362 0.8558097      4.462538      1.402735       6.044511      0.3090975      6.566639      21.36156 8.790022 21.23265 8.975385 0.1289139      12.56272 
1 1 1 18 15 6  o 30.94137 6.507451 9.939578       5.084558      19.53910       8.813140      0.3367271      5.069681      43.11953 10.33791 18.76321 7.906657 24.35632       13.01490 
1 1 1 18 15 7  o 129.5102 2.956000 168.0448       7.622942      164.2900       12.58919      171.7996       8.600604      128.0194 4.916906 131.0010 3.282647 -2.981628      5.912000 
1 1 1 18 15 8  o 267.4672 3.213469 716.9532       17.22246      724.0377       28.53644      709.8687       19.27697      268.6833 5.310423 266.2511 3.620074 2.432251       6.426938 
1 1 1 18 15 9  o 86.95737 3.358571 75.80434       5.848978      76.37110       10.00334      75.23758       6.066473      87.23335 5.733667 86.68138 3.499294 0.5519714      6.717142 
1 1 1 18 15 10 o 186.6379 2.422432 348.8416       9.075267      358.1932       14.62245      339.5609       10.75430      189.0954 3.866421 184.1804 2.919502 4.914978       4.844863 
1 1 1 18 15 11 o 211.1497 2.484532 446.5371       10.47800      441.5071       16.63445      451.5672       12.73796      209.9167 3.962155 212.3828 2.998821 -2.466141      4.969064 
1 1 1 18 15 12 o 205.6666 2.449094 423.6542       10.07418      423.0874       16.03935      424.2209       12.18537      205.4854 3.902796 205.8478 2.959801 -0.3624420     4.898187 
1 1 1 18 15 13 o 68.66400 4.063913 47.38125       5.517423      45.43301       9.549930      49.33658       5.528049      67.16482 7.109325 70.16319 3.939423 -2.998367      8.127827 
1 1 1 18 15 14 o 87.00974 2.841226 75.87518       4.957037      77.57547       7.913406      74.24575       5.975082      87.93575 4.499539 86.08372 3.470507 1.852028       5.682453 
1 1 1 18 15 15 o 53.70986 3.916724 29.06778       4.242918      31.56861       6.733834      26.56694       5.163905      55.99740 6.012631 51.42232 5.021073 4.575077       7.833448 
1 1 1 18 15 16 o 71.46101 3.232636 51.35567       4.570931      47.74965       7.212039      54.96169       5.619440      68.89974 5.233720 74.02228 3.795776 -5.122536      6.465272 
1 1 1 18 15 17 o 90.60292 2.856276 82.39294       5.149736      79.27575       8.104689      85.58098       6.351979      88.82254 4.562293 92.38331 3.437839 -3.560768      5.712553 
1 1 1 18 15 18 o 54.14674 4.427654 29.62745       4.852895      31.57570       8.189702      27.67921       5.207120      55.83601 7.333711 52.45748 4.963182 3.378529       8.855309 
1 1 1 18 15 19 o 20.98957 5.826619 0.3091684      4.133108      -4.813930      6.710455      5.432408       4.828099      17.86109 8.197886 24.11806 8.282065 -6.256971      11.65324 
1 1 1 18 15 20 o 171.0654 3.400013 294.7159       11.67529      299.1792       21.06936      290.1819       10.05293      172.0056 6.124614 170.1253 2.954567 1.880310       6.800027 
1 1 1 18 15 21 o 113.7541 3.149520 130.2134       7.176617      132.1263       10.99517      128.2298       9.216957      114.5512 4.799240 112.9570 4.079854 1.594215       6.299041 
1 1 1 18 15 22 o 35.81479 5.329088 14.19029       4.597852      28.60020       7.467082      -0.2242958     5.363688      53.00909 7.043209 18.62048 7.999369 34.38861       10.65818 
1 1 1 18 15 23 o 74.44027 3.381764 55.99603       5.064013      61.39443       7.821308      50.59054       6.435576      78.01025 5.013000 70.87029 4.540390 7.139954       6.763529 
1 1 1 18 15 24 o 23.46786 5.918108 1.789549       4.320138      -5.993503      6.482334      9.571183       5.712955      16.74393 7.828337 30.19178 8.877678 -13.44784      11.83622 
1 1 1 18 15 25 o 200.6740 2.745812 405.4470       10.99517      396.2371       16.72655      414.6568       14.28239      198.2743 4.218031 203.0737 3.516553 -4.799393      5.491624 
1 1 1 18 15 26 o 98.90189 4.376340 100.3168       8.643111      111.5103       12.56085      89.05238       11.87365      104.5176 6.008964 93.28616 6.364101 11.23145       8.752681 
1 1 1 18 15 27 o 112.9040 2.838492 128.6548       6.385984      125.1126       10.08127      132.1263       7.835476      111.2288 4.531772 114.5793 3.419239 -3.350471      5.676984 
1 1 1 18 15 28 o 40.59474 5.465982 18.02301       4.395235      24.94459       6.928658      11.10144       5.409738      49.17009 7.045604 32.01939 8.358666 17.15069       10.93196 
1 1 1 18 15 29 o 116.7976 2.645964 137.8647       6.161405      134.6767       9.649114      140.9819       7.665448      115.3133 4.183867 118.2818 3.240333 -2.968468      5.291927 
1 1 1 18 15 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 15 31 o 139.9583 2.576018 198.4373       7.176617      191.9904       11.35648      204.8842       8.770633      137.4302 4.131726 142.4863 3.077711 -5.056091      5.152035 
1 1 1 18 15 32 o 35.83262 5.971348 14.47367       4.260629      16.42191       6.797595      12.51834       5.139817      38.06042 9.050177 33.60481 7.792452 4.455608       11.94270 
1 1 1 18 15 33 o 26.49024 5.749550 6.586476       3.969455      0.8246379      6.186910      12.34832       4.974748      19.90648 8.572503 33.07400 7.664299 -13.16751      11.49910 
1 1 1 18 15 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 15 35 o 63.46010 3.801501 42.88967       4.720414      37.36375       7.268716      48.40851       6.027507      58.76000 6.185088 68.16019 4.421575 -9.400192      7.603002 
1 1 1 18 15 36 o 28.36950 6.037013 9.847479       3.749127      9.868733       5.876608      9.819141       4.656654      28.14992 9.138958 28.58909 7.890597 -0.4391689     12.07403 
1 1 1 18 15 37 o 25.75078 6.037761 8.501422       3.664113      8.997337       5.766797      8.005506       4.522048      26.22669 9.047063 25.27487 7.998054 0.9518223      12.07552 
1 1 1 18 15 38 o 49.29974 4.221772 27.94134       4.131691      28.05469       6.707621      27.82799       4.826682      48.24650 6.951408 50.35299 4.792846 -2.106491      8.443544 
1 1 1 18 16 0  o 21.53192 12.36405 6.085601       8.338477      6.085601       8.338477      6.085601       8.338477      21.53192 12.36405 21.53192 12.36405 0.000000       0.000000 
1 1 1 18 16 1  o 202.5529 3.146515 411.1854       12.78755      398.2916       15.91183      424.0792       20.02085      199.4152 3.989622 205.6906 4.866738 -6.275360      6.293030 
1 1 1 18 16 2  o 230.6094 3.254284 533.3225       15.09711      504.6302       18.32765      562.0148       24.00235      224.4533 4.082731 236.7654 5.068803 -12.31213      6.508567 
1 1 1 18 16 3  o 297.7515 3.208072 888.3986       19.10695      887.6901       27.16913      889.1071       26.86449      297.6290 4.564260 297.8739 4.509373 -0.2449036     6.416145 
1 1 1 18 16 4  o 77.84015 3.684720 60.79933       5.723582      57.80258       8.274716      63.78901       7.913406      75.91267 5.450155 79.76762 4.960287 -3.854950      7.369440 
1 1 1 18 16 5  o 294.6063 3.183640 869.9788       18.76689      896.9000       27.30373      843.0576       25.75931      299.1572 4.563443 290.0555 4.440410 9.101654       6.367279 
1 1 1 18 16 6  o 86.45674 2.843132 74.88335       4.916656      73.60814       6.841519      76.15857       7.063973      85.72166 3.990542 87.19182 4.050823 -1.470154      5.686264 
1 1 1 18 16 7  o 126.0723 2.454676 159.1891       6.190452      163.7232       8.869816      154.6550       8.636027      127.8682 3.468344 124.2763 3.474527 3.591873       4.909353 
1 1 1 18 16 8  o 133.3994 2.465274 178.1756       6.569473      176.7587       10.41424      179.6634       8.012589      132.8307 3.920118 133.9682 2.990483 -1.137451      4.930549 
1 1 1 18 16 9  o 163.2086 2.557323 266.9446       8.380984      279.2717       12.95050      254.6176       10.63386      166.9592 3.878342 159.4579 3.334378 7.501282       5.114647 
1 1 1 18 16 10 o 175.2619 2.694115 307.7514       9.443663      305.0593       13.39682      310.4436       13.31181      174.4928 3.838789 176.0310 3.781099 -1.538147      5.388229 
1 1 1 18 16 11 o 140.6753 2.460773 198.2248       6.920157      197.4455       11.12269      199.0041       8.232210      140.3642 3.962082 140.9864 2.919505 -0.6221619     4.921545 
1 1 1 18 16 12 o 62.17812 3.708827 38.82316       4.597144      38.01552       7.417490      39.63079       5.428866      61.49044 6.031418 62.86580 4.317821 -1.375362      7.417653 
1 1 1 18 16 13 o 167.9968 2.443971 282.8139       8.225125      286.4979       13.20554      279.1300       9.812057      169.0439 3.905950 166.9496 2.938628 2.094299       4.887942 
1 1 1 18 16 14 o 32.11436 6.615047 10.54885       4.643193      7.197870       6.609147      13.89982       6.523424      27.94510 9.680906 36.28363 9.017506 -8.338528      13.23009 
1 1 1 18 16 15 o 154.7797 2.705088 240.3777       8.310139      231.5220       13.75105      249.3042       9.337394      151.8173 4.528816 157.7422 2.959701 -5.924927      5.410176 
1 1 1 18 16 16 o 90.03786 3.179161 81.47195       5.757588      83.95154       9.656199      78.99238       6.270506      91.32738 5.286584 88.74835 3.532745 2.579025       6.358323 
1 1 1 18 16 17 o 120.4201 2.952061 145.5869       7.091603      143.4615       11.35648      147.7830       8.501422      119.4524 4.753560 121.3878 3.501760 -1.935410      5.904122 
1 1 1 18 16 18 o 74.06726 3.759061 55.33009       5.613063      58.39060       9.188620      52.27666       6.450453      76.03102 6.042678 72.10350 4.473052 3.927521       7.518121 
1 1 1 18 16 19 o 186.0798 2.633822 347.7081       9.826226      355.7845       15.35215      339.7026       12.26330      188.1547 4.079663 184.0049 3.332330 4.149796       5.267644 
1 1 1 18 16 20 o 131.5863 3.045402 174.1374       7.970083      169.1074       13.06385      179.1674       9.131943      129.5515 5.041954 133.6212 3.417102 -4.069672      6.090803 
1 1 1 18 16 21 o 63.73925 3.875903 41.07603       4.915947      39.45368       7.630026      42.70547       6.202496      62.39420 6.114371 65.08430 4.764971 -2.690098      7.751805 
1 1 1 18 16 22 f 33.05171 6.298737 11.62569       4.290384      12.59627       6.751545      10.65512       5.297094      34.41635 9.502075 31.68708 8.270845 2.729267       12.59747 
1 1 1 18 16 23 o 103.3852 2.831139 107.5430       5.872357      110.0934       9.401155      105.0634       7.034926      104.5087 4.497788 102.2617 3.439667 2.246902       5.662279 
1 1 1 18 16 24 o 33.96033 6.673524 11.75322       5.032133      8.409323       8.274716      15.10419       5.723582      30.21080 10.79563 37.70986 7.848444 -7.499056      13.34705 
1 1 1 18 16 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 16 26 o 50.44481 4.847704 26.60237       4.965539      33.84274       8.040927      19.36199       5.830558      57.41503 7.002459 43.47460 6.705707 13.94043       9.695408 
1 1 1 18 16 27 o 47.63905 4.811345 23.35765       4.609187      24.71788       7.304138      21.99743       5.627941      48.89354 7.469431 46.38457 6.066608 2.508961       9.622689 
1 1 1 18 16 28 o 60.72221 3.909753 37.71797       4.779924      40.32507       7.545012      35.10379       5.868106      62.70908 6.015884 58.73535 4.995378 3.973732       7.819506 
1 1 1 18 16 29 o 20.20571 5.969540 1.054885       4.116813      -0.4207495     6.461789      2.529881       5.102270      19.89745 8.666806 20.51396 8.211460 -0.6165066     11.93908 
1 1 1 18 16 30 o 18.98031 5.607112 -1.939741      4.141609      -8.281801      6.509255      4.399486       5.121398      15.42151 7.391419 22.53911 8.433609 -7.117599      11.21422 
1 1 1 18 16 31 o 40.33356 5.416077 18.24972       4.364771      25.05794       7.037760      11.44858       5.164613      48.61311 7.238542 32.05400 8.058479 16.55911       10.83215 
1 1 1 18 16 32 o 88.60143 3.158206 80.76351       5.569848      77.15040       8.409323      84.44745       7.311223      86.36620 4.868411 90.83666 4.024379 -4.470459      6.316411 
1 1 1 18 16 33 o 87.76943 3.190048 79.48829       5.518839      72.61631       8.678535      86.28942       6.819557      83.57276 5.192203 91.96610 3.707647 -8.393341      6.380095 
1 1 1 18 16 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 16 35 o 42.67987 5.308906 21.24647       4.464664      23.46392       7.155363      19.03610       5.337476      43.99417 8.432964 41.36557 6.451592 2.628605       10.61781 
1 1 1 18 16 36 o 32.86914 5.745169 13.37557       3.878774      10.86765       6.091977      15.88349       4.803303      28.76586 9.301556 36.97242 6.746030 -8.206558      11.49034 
1 1 1 18 16 37 o 29.15235 5.923108 11.50526       3.737083      15.37340       5.943910      7.644195       4.530550      33.93017 8.714382 24.37453 8.024486 9.555643       11.84622 
1 1 1 18 16 38 o 39.01429 5.094590 19.43283       3.926948      22.19580       6.333559      16.66987       4.645319      40.68380 8.070763 37.34478 6.219501 3.339012       10.18918 
1 1 1 18 17 0  o 86.85777 6.150885 76.72533       10.57718      76.72533       10.57718      76.72533       10.57718      86.85777 6.150885 86.85777 6.150885 0.000000       0.000000 
1 1 1 18 17 1  o 188.6376 3.154019 356.8472       11.83823      375.0544       15.36632      338.6400       18.01593      193.4957 3.970712 183.7794 4.901508 9.716309       6.308038 
1 1 1 18 17 2  o 94.88326 3.590425 90.25676       6.818849      91.81535       10.08835      88.76900       9.174451      95.67306 5.272306 94.09345 4.875181 1.579605       7.180850 
1 1 1 18 17 3  o 33.96813 6.498260 11.79572       4.873440      5.118564       6.730292      18.47642       7.049803      25.89680 9.672346 42.03946 8.680740 -16.14265      12.99652 
1 1 1 18 17 4  o 103.2683 2.946626 107.1888       6.035301      118.4531       8.175533      95.85353       8.876901      108.7478 3.758943 97.78892 4.538807 10.95885       5.893252 
1 1 1 18 17 5  o 102.4037 2.960902 105.2759       6.018298      113.4231       7.934660      97.05790       9.054014      106.4128 3.728247 98.39471 4.600864 8.018044       5.921805 
1 1 1 18 17 6  o 102.5121 2.972264 105.7010       6.014756      117.8864       7.906322      93.44479       9.068183      108.4875 3.643888 96.53671 4.696754 11.95074       5.944528 
1 1 1 18 17 7  o 50.46346 4.678509 25.60345       4.716872      25.81598       5.918406      25.39800       7.346645      50.70023 5.836666 50.22668 7.313488 0.4735527      9.357018 
1 1 1 18 17 8  o 90.45717 2.836240 82.10956       5.133441      77.07955       7.032093      87.06872       7.481250      87.70234 4.009068 93.21199 4.013030 -5.509651      5.672480 
1 1 1 18 17 9  o 108.9203 2.613850 118.8782       5.694535      115.9027       8.012589      121.8537       8.090520      107.5554 3.724867 110.2852 3.667998 -2.729828      5.227699 
1 1 1 18 17 10 o 168.1261 2.541382 283.1682       8.551013      284.7268       13.31181      281.6805       10.73304      168.5451 3.949035 167.7070 3.199939 0.8380890      5.082764 
1 1 1 18 17 11 o 263.4597 2.715837 695.8413       14.34615      708.1684       23.03885      683.5143       17.09494      265.7067 4.335392 261.2127 3.272227 4.494019       5.431674 
1 1 1 18 17 12 f 33.65928 7.428466 11.01642       6.190452      11.54776       11.38482      10.48509       4.867064      35.73865 12.67373 31.57990 7.752737 4.158749       14.85693 
1 1 1 18 17 13 o 100.6128 3.176880 101.7337       6.444077      107.2596       10.55593      96.20776       7.396237      103.2855 5.110074 97.94013 3.775897 5.345375       6.353759 
1 1 1 18 17 14 f 51.43547 5.348100 26.80073       5.504670      27.14079       8.154280      26.46067       7.396237      51.73353 7.881040 51.13740 7.231729 0.5961304      10.69620 
1 1 1 18 17 15 o 116.7011 3.091297 137.0146       7.134109      126.9546       11.27147      147.0037       8.749379      112.3426 5.016561 121.0596 3.613667 -8.717003      6.182594 
1 1 1 18 17 16 o 198.1674 2.669238 394.0409       10.57718      392.9782       16.10311      395.1744       13.71563      197.8352 4.069829 198.4995 3.454827 -0.6643066     5.338477 
1 1 1 18 17 17 o 178.4970 2.633492 319.8660       9.401155      320.1494       14.37449      319.5826       12.12161      178.5171 4.026082 178.4769 3.395848 0.4013062E-01  5.266984 
1 1 1 18 17 18 o 158.0598 2.662352 250.9336       8.423491      254.1216       13.01426      247.6748       10.70471      159.0148 4.092154 157.1048 3.406868 1.910004       5.324704 
1 1 1 18 17 19 o 95.97578 2.932377 92.59465       5.654862      96.42028       9.025676      88.83985       6.819557      97.88201 4.610487 94.06956 3.624742 3.812454       5.864754 
1 1 1 18 17 20 o 49.02220 4.767017 24.42742       4.663030      24.22905       7.587519      24.61870       5.423907      48.69442 7.790953 49.34998 5.495348 -0.6555634     9.534034 
1 1 1 18 17 21 o 67.85007 3.603281 46.45318       4.905321      47.58671       7.885069      45.31966       5.834808      68.59677 5.747405 67.10336 4.347629 1.493416       7.206562 
1 1 1 18 17 22 o 45.87418 5.341660 22.06119       4.800469      26.71572       7.325392      17.41375       6.206746      51.17148 7.157689 40.57687 7.931002 10.59461       10.68332 
1 1 1 18 17 23 o 82.67534 3.526597 69.15906       5.875899      74.74166       9.301972      63.59063       7.183701      85.93909 5.411956 79.41158 4.523082 6.527519       7.053193 
1 1 1 18 17 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 17 25 o 30.63057 6.029359 8.083434       4.746627      -0.5879441     7.502505      16.76197       5.822057      21.54748 9.361399 39.71366 7.601112 -18.16617      12.05872 
1 1 1 18 17 26 o 75.25874 3.591595 57.49794       5.385650      56.35733       8.600604      58.63855       6.488710      74.34576 5.784194 76.17171 4.259265 -1.825958      7.183191 
1 1 1 18 17 27 o 116.1492 2.756727 136.3061       6.393069      135.0309       10.09544      137.5813       7.849646      115.4522 4.372128 116.8461 3.358967 -1.393890      5.513453 
1 1 1 18 17 28 o 57.14243 4.318919 33.79315       4.805429      28.43725       7.424574      39.14904       6.102604      52.30245 7.097731 61.98241 4.922851 -9.679962      8.637838 
1 1 1 18 17 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 17 30 o 81.79903 3.212628 68.41519       5.215622      65.33343       8.281801      71.48279       6.342061      79.68812 5.196384 83.90993 3.779088 -4.221817      6.425256 
1 1 1 18 17 31 o 51.38145 4.552860 27.89175       4.536926      23.54185       7.098687      32.24164       5.652028      46.86782 7.573092 55.89507 5.055928 -9.027248      9.105721 
1 1 1 18 17 32 o 43.93602 5.427086 21.36691       4.527715      18.00884       7.091603      24.73205       5.633609      39.35695 9.170769 48.51510 5.806036 -9.158150      10.85417 
1 1 1 18 17 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 17 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 17 35 o 28.87391 5.708911 9.500339       4.005587      3.670489       6.245002      15.33090       5.017255      21.44281 8.889904 36.30501 7.164934 -14.86220      11.41782 
1 1 1 18 17 36 o 27.16245 6.054976 9.486169       3.807220      8.565183       6.025383      10.41424       4.655945      25.56714 9.204623 28.75775 7.869297 -3.190613      12.10995 
1 1 1 18 17 37 o 25.59269 5.234409 6.714706       3.870272      -1.764045      6.023965      15.19629       4.862104      16.28847 7.588604 34.89690 7.211742 -18.60843      10.46882 
1 1 1 18 18 0  o 435.3007 5.051658 1898.651       43.96651      1898.651       43.96651      1898.651       43.96651      435.3007 5.051658 435.3007 5.051658 0.000000       0.000000 
1 1 1 18 18 1  o 146.6724 2.436991 215.5110       7.148279      208.1431       9.953747      222.8789       10.26547      144.1641 3.452228 149.1808 3.440614 -5.016647      4.873982 
1 1 1 18 18 2  o 59.18484 4.009199 35.79099       4.704120      45.12130       7.091603      26.45359       6.186202      67.05415 5.287967 51.31552 6.027613 15.73864       8.018398 
1 1 1 18 18 3  o 195.7551 3.036705 384.1226       11.90907      393.1199       18.39141      375.1960       15.14670      197.9997 4.644302 193.5104 3.913665 4.489288       6.073411 
1 1 1 18 18 4  o 126.1490 2.694314 159.4725       6.799720      160.0392       10.20879      158.8349       8.983169      126.3726 4.039164 125.9255 3.566858 0.4470367      5.388629 
1 1 1 18 18 5  f 185.9703 2.791393 346.5746       10.38590      343.3866       14.45242      349.7626       14.91291      185.1192 3.903543 186.8214 3.991222 -1.702179      5.582786 
1 1 1 18 18 6  o 143.1763 2.828073 205.6635       8.090520      217.9198       11.59027      193.3365       11.29981      147.4648 3.929844 138.8878 4.067962 8.576996       5.656146 
1 1 1 18 18 7  o 121.1421 2.957148 147.4997       7.169532      133.2598       9.734127      161.6687       10.52051      115.2911 4.221542 126.9930 4.142159 -11.70192      5.914297 
1 1 1 18 18 8  o 37.83264 6.094367 14.86332       4.709079      20.52385       6.460372      9.209873       6.854271      45.12725 7.157950 30.53803 9.865546 14.58922       12.18873 
1 1 1 18 18 9  o 262.3715 3.436045 691.1655       17.99467      700.5880       22.35165      681.6723       28.21763      264.2919 4.228592 260.4512 5.417068 3.840729       6.872090 
1 1 1 18 18 10 o 55.13463 5.399148 30.84599       6.055846      27.11245       6.798304      34.57953       10.02459      51.86309 6.554087 58.40617 8.581793 -6.543083      10.79830 
1 1 1 18 18 11 f 36.94381 7.392792 14.06277       5.931159      18.88024       8.147196      9.252379       8.621859      42.21436 9.825123 31.67327 11.04900 10.54109       14.78558 
1 1 1 18 18 12 o 171.8585 3.880099 297.9748       13.03551      269.2825       21.74238      326.6671       14.38866      163.2961 6.657350 180.4209 3.987525 -17.12477      7.760198 
1 1 1 18 18 13 o 168.8118 2.832355 286.0728       9.564099      292.0947       13.85732      280.0510       13.19137      170.5798 4.061828 167.0437 3.948479 3.536072       5.664710 
1 1 1 18 18 14 o 44.49976 5.589439 20.82848       4.700578      14.94125       7.059014      26.71572       6.208163      37.53350 9.412251 51.46600 6.031324 -13.93250      11.17888 
1 1 1 18 18 15 o 32.52452 6.276309 10.81806       4.387442      8.480167       7.091603      13.16303       5.170281      29.69160 10.03955 35.35744 7.534963 -5.665840      12.55262 
1 1 1 18 18 16 o 62.52003 3.834475 39.42534       4.804720      40.19047       7.644195      38.66730       5.824182      63.05727 6.061311 61.98280 4.698224 1.074467       7.668951 
1 1 1 18 18 17 o 80.86832 3.336068 65.89310       5.333934      61.49361       8.536844      70.29967       6.399445      78.07286 5.467228 83.66378 3.824502 -5.590919      6.672136 
1 1 1 18 18 18 o 180.2480 2.566139 326.2421       9.224042      320.1494       14.61536      332.3347       11.26438      178.4649 4.094744 182.0311 3.094082 -3.566238      5.132277 
1 1 1 18 18 19 o 160.0820 2.580041 257.4514       8.253463      255.9636       13.14886      259.0100       9.975000      159.5035 4.121810 160.6605 3.104373 -1.156998      5.160082 
1 1 1 18 18 20 o 19.19857 5.891100 -1.367312      4.362646      3.241167       7.098687      -5.976499      5.073932      24.24220 9.693201 14.15494 6.697918 10.08726       11.78220 
1 1 1 18 18 21 o 27.41420 5.980437 4.782758       4.630441      -3.489834      7.488335      13.05677       5.447286      19.80089 8.931845 35.02752 7.955166 -15.22662      11.96087 
1 1 1 18 18 22 o 79.06062 3.834552 63.28600       6.025383      60.30341       9.379901      66.26858       7.566265      77.07522 6.084901 81.04602 4.667882 -3.970802      7.669103 
1 1 1 18 18 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 18 24 o 44.13593 6.002852 20.62303       5.218455      21.63612       8.380984      19.60995       6.216664      44.59163 9.669435 43.68023 7.116107 0.9113922      12.00570 
1 1 1 18 18 25 o 52.99220 4.729254 28.80565       4.982541      27.84216       7.941744      29.76914       6.015463      51.90113 7.650839 54.08326 5.561299 -2.182129      9.458508 
1 1 1 18 18 26 o 38.37040 5.725624 15.84098       4.648152      5.123523       7.247461      26.56694       5.822765      25.74967 9.926311 50.99112 5.709589 -25.24144      11.45125 
1 1 1 18 18 27 o 91.08444 3.174653 84.30576       5.822057      89.12323       9.365732      79.48829       6.921574      93.52229 5.007219 88.64658 3.904027 4.875710       6.349305 
1 1 1 18 18 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 18 29 o 46.74708 4.882577 22.88299       4.573764      23.52060       7.212039      22.24539       5.628649      47.16185 7.646053 46.33231 6.074217 0.8295403      9.765155 
1 1 1 18 18 30 o 24.79959 6.439410 5.783801       4.267714      5.451536       6.774216      6.116064       5.192952      25.03636 9.609646 24.56282 8.574306 0.4735355      12.87882 
1 1 1 18 18 31 o 35.42784 6.526689 14.72871       4.677198      15.18921       6.921574      14.27530       6.293177      35.85325 9.499006 35.00243 8.953188 0.8508224      13.05338 
1 1 1 18 18 32 o 31.20817 8.008040 11.61861       7.587519      8.784801       13.37557      14.45950       7.169532      28.93227 12.53356 33.48406 9.971190 -4.551788      16.01608 
1 1 1 18 18 33 o 18.67222 5.886531 -0.2976914     4.493001      -0.1708077     7.069641      -0.4245043     5.545760      19.72920 8.796249 17.61523 7.825023 2.113970       11.77306 
1 1 1 18 18 34 o 21.58096 5.968354 3.705203       4.002753      0.7962998      6.198245      6.614106       5.065430      19.19189 8.422569 23.97003 8.458447 -4.778143      11.93671 
1 1 1 18 18 35 o 58.73356 3.739531 37.65421       4.420739      40.88475       6.923699      34.42367       5.498294      60.88370 5.686004 56.58343 4.858573 4.300270       7.479063 
1 1 1 18 18 36 o 36.60209 5.525362 17.02410       4.014087      12.71671       6.089143      21.32440       5.232625      30.07221 9.237109 43.13197 6.065831 -13.05976      11.05072 
1 1 1 18 19 0  o 116.3961 3.702778 136.0228       8.600604      136.0228       8.600604      136.0228       8.600604      116.3961 3.702778 116.3961 3.702778 0.000000       0.000000 
1 1 1 18 19 1  o 164.7029 2.560651 271.9746       8.465999      257.3805       10.90307      286.5688       12.95050      160.2989 3.400858 169.1069 3.829086 -8.808075      5.121302 
1 1 1 18 19 2  o 109.3829 2.643950 119.9409       5.780967      113.4231       8.076350      126.5295       8.274716      106.3900 3.795634 112.3757 3.681720 -5.985703      5.287901 
1 1 1 18 19 3  f 57.14907 3.843674 32.83674       4.386734      30.79640       6.198953      34.87000       6.209579      55.36728 5.598029 58.93087 5.268529 -3.563587      7.687349 
1 1 1 18 19 4  o 158.5630 2.628254 251.9963       8.345562      248.4540       10.91724      255.4677       12.61753      157.4811 3.466207 159.6450 3.951746 -2.163879      5.256509 
1 1 1 18 19 5  o 155.5595 2.744819 242.5739       8.543928      239.6692       11.73905      245.4785       12.41208      154.6362 3.795697 156.4828 3.965956 -1.846542      5.489638 
1 1 1 18 19 6  o 64.11259 4.463755 41.49402       5.671157      37.09454       8.373900      45.89351       7.651280      60.66253 6.902038 67.56266 5.662358 -6.900135      8.927509 
1 1 1 18 19 7  o 152.6544 3.059131 233.8599       9.337394      233.0098       13.98484      234.6392       12.37665      152.3560 4.589525 152.9527 4.045909 -0.5966339     6.118261 
1 1 1 18 19 8  o 44.97758 5.982099 21.05519       5.207829      17.06660       7.615856      25.04377       7.112856      40.15928 9.598629 49.79587 7.142014 -9.636585      11.96420 
1 1 1 18 19 9  o 146.5433 3.393543 215.9361       9.939578      228.5466       14.20446      203.3965       13.90691      150.8263 4.708879 142.2603 4.887841 8.566086       6.787086 
1 1 1 18 19 10 o 29.35416 6.868851 6.006963       5.812847      -6.254212      6.795470      18.27097       9.429493      17.25266 8.046361 41.45566 11.13465 -24.20300      13.73770 
1 1 1 18 19 11 o 137.4216 2.978994 189.6525       8.189702      185.3310       11.35648      193.9741       11.80281      135.8602 4.179473 138.9831 4.246131 -3.122849      5.957989 
1 1 1 18 19 12 o 32.34133 6.725799 10.93141       4.687117      8.430575       6.074266      13.43225       7.141194      29.01217 9.278751 35.67049 9.739108 -6.658327      13.45160 
1 1 1 18 19 13 o 73.77689 3.727046 54.83417       5.474916      57.40585       7.119940      52.26249       8.317224      75.55865 4.711533 71.99512 5.776241 3.563530       7.454093 
1 1 1 18 19 14 o 112.9565 2.976438 128.2298       6.745169      132.6222       10.43549      123.9082       8.543928      114.8293 4.543917 111.0836 3.845719 3.745644       5.952876 
1 1 1 18 19 15 o 102.3170 3.125751 105.2759       6.382442      102.9380       9.783719      107.6847       8.196787      101.1051 4.838389 103.5289 3.958694 -2.423813      6.251501 
1 1 1 18 19 16 o 156.9282 3.161442 247.6748       9.904156      246.1162       16.38649      249.3042       11.13686      156.2514 5.243631 157.6051 3.533155 -1.353729      6.322883 
1 1 1 18 19 17 o 36.09869 6.701719 14.01318       4.952078      16.56360       7.785885      11.46275       6.121732      39.30986 9.901453 32.88752 9.034012 6.422337       13.40344 
1 1 1 18 19 18 o 92.63804 3.272551 86.71449       5.990668      77.22124       9.025676      96.20776       7.877984      87.46829 5.159399 97.80779 4.027278 -10.33949      6.545102 
1 1 1 18 19 19 o 102.1894 3.060419 105.1342       6.208871      100.5293       9.939578      109.8100       7.445828      99.82446 4.978528 104.5544 3.560745 -4.729904      6.120837 
1 1 1 18 19 20 o 58.09684 4.395030 34.32449       5.154695      36.93867       8.310139      31.70322       6.096227      60.21442 6.900456 55.97926 5.445077 4.235153       8.790060 
1 1 1 18 19 21 o 38.97099 7.064285 16.45733       5.696661      18.68896       9.663282      14.23280       6.037426      41.44519 11.33504 36.49677 8.434057 4.948421       14.12857 
1 1 1 18 19 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 19 23 o 93.11378 3.677005 87.98971       6.840102      87.21041       10.58427      88.76900       8.664365      92.55904 5.717577 93.66853 4.625014 -1.109497      7.354009 
1 1 1 18 19 24 o 90.20264 3.375448 82.46378       6.044511      78.35477       9.557014      86.57281       7.396237      87.78039 5.443707 92.62490 3.992575 -4.844513      6.750896 
1 1 1 18 19 25 o 31.43746 6.218391 9.634944       5.032133      21.02685       7.785885      -1.757669      6.378191      43.92220 9.163187 18.95272 8.408898 24.96948       12.43678 
1 1 1 18 19 26 o 40.67069 6.086738 17.92383       4.909571      11.44858       7.792970      24.39908       5.972957      32.62123 10.51752 48.72016 6.129862 -16.09893      12.17348 
1 1 1 18 19 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 19 28 o 28.85803 6.554928 8.869816       4.349185      7.899237       6.606313      9.833311       5.659113      27.79460 9.674009 29.92146 8.847705 -2.126863      13.10986 
1 1 1 18 19 29 o 55.71777 4.190222 32.47543       4.714038      36.96701       7.424574      27.97676       5.811430      59.47441 6.241823 51.96113 5.592093 7.513287       8.380445 
1 1 1 18 19 30 o 21.02018 6.219990 2.163612       4.403028      2.480998       6.865606      1.846934       5.516006      22.10285 9.252016 19.93751 8.315846 2.165340       12.43998 
1 1 1 18 19 31 o 24.80868 6.175076 3.555011       4.711204      -4.512129      7.212039      11.61861       6.064347      17.99240 8.351805 31.62497 9.098001 -13.63257      12.35015 
1 1 1 18 19 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 19 33 o 24.02604 7.066175 4.719706       5.833392      1.045675       8.628942      8.395153       7.849646      21.61133 9.674418 26.44076 10.30189 -4.829424      14.13235 
1 1 1 18 19 34 f 85.06500 3.040835 76.65448       5.219872      85.15590       8.253463      68.13181       6.394486      89.46782 4.612532 80.66219 3.963744 8.805626       6.081670 
1 1 1 18 19 35 o 31.57587 6.060767 13.58811       4.099102      18.96525       6.440535      8.210957       5.071806      38.07904 8.651371 25.07271 8.490309 13.00633       12.12153 
1 1 1 18 19 36 o 16.65936 5.126759 -1.297884      3.704495      -7.452912      5.653445      4.856437       4.789134      13.09450 6.411341 20.22423 8.001833 -7.129733      10.25352 
1 1 1 18 20 0  o 49.17986 8.210192 25.95059       7.481250      25.95059       7.481250      25.95059       7.481250      49.17986 8.210192 49.17986 8.210192 0.000000       0.000000 
1 1 1 18 20 1  o 132.2592 2.870313 175.4835       7.587519      180.3718       10.59135      170.5952       10.86765      134.1123 3.948689 130.4061 4.166850 3.706223       5.740626 
1 1 1 18 20 2  o 106.6973 3.038042 114.2733       6.483750      112.6438       8.891070      115.8319       9.443663      105.9613 4.195432 107.4333 4.395128 -1.471985      6.076084 
1 1 1 18 20 3  o 33.82270 6.133871 11.60444       4.657362      19.49659       6.446911      3.714412       6.723916      43.26760 7.728610 24.37780 9.527124 18.88980       12.26774 
1 1 1 18 20 4  o 136.8344 2.860277 187.9523       7.842561      178.7424       10.46383      197.1621       11.68237      133.4933 3.919237 140.1755 4.167052 -6.682236      5.720554 
1 1 1 18 20 5  o 117.3595 2.956961 138.5732       6.954163      125.3960       9.266549      151.6795       10.37173      111.7842 4.144839 122.9348 4.218388 -11.15063      5.913923 
1 1 1 18 20 6  o 46.75799 5.065623 23.37891       4.407987      32.63837       6.432034      14.11236       6.028216      56.93657 5.648420 36.57940 8.410560 20.35717       10.13125 
1 1 1 18 20 7  f 103.7982 2.752319 108.2514       5.708704      116.2569       8.210957      100.2459       7.934660      107.6485 3.813780 99.94790 3.969398 7.700623       5.504638 
1 1 1 18 20 8  f 73.01728 3.340066 53.65105       4.872732      49.99545       6.813890      57.30666       6.967623      70.51820 4.831298 75.51636 4.613321 -4.998154      6.680133 
1 1 1 18 20 9  o 105.6222 2.779420 112.0062       5.870231      110.3059       8.274716      113.6357       8.331393      104.8354 3.946527 106.4090 3.914796 -1.573624      5.558840 
1 1 1 18 20 10 o 101.9878 3.626786 104.9217       7.240376      94.22409       11.82406      115.6193       8.366816      96.64201 6.117454 107.3336 3.897574 -10.69162      7.253573 
1 1 1 18 20 11 o 67.63406 3.900433 46.09896       5.286468      47.29624       8.069265      44.90167       6.829475      68.47662 5.891986 66.79149 5.112535 1.685135       7.800866 
1 1 1 18 20 12 o 178.9763 2.711577 321.6371       9.698705      318.5199       14.58702      324.7543       12.78755      178.0577 4.096149 179.8948 3.554176 -1.837036      5.423155 
1 1 1 18 20 13 o 119.1680 2.903724 142.8239       6.939993      148.8457       10.61261      136.7312       8.947746      121.6587 4.361632 116.6773 3.834399 4.981369       5.807448 
1 1 1 18 20 14 o 69.38038 3.848033 48.61396       5.355896      51.77366       8.104689      45.44718       7.005171      71.61577 5.658453 67.14499 5.216451 4.470779       7.696067 
1 1 1 18 20 15 o 77.65268 4.474647 61.56446       6.633943      49.86084       10.84640      73.25391       7.637110      69.97621 7.750061 85.32915 4.475089 -15.35294      8.949294 
1 1 1 18 20 16 o 33.02406 6.958563 11.56902       4.995294      13.96358       7.877984      9.174451       6.140860      36.19899 10.35521 29.84912 9.298170 6.349863       13.91713 
1 1 1 18 20 17 o 115.9837 3.032876 135.4560       7.064682      142.5405       10.95975      128.3715       8.919409      118.9638 4.606339 113.0036 3.946516 5.960197       6.065752 
1 1 1 18 20 18 o 238.0794 2.902434 570.4454       13.82898      576.3964       21.05519      564.4944       17.93800      239.2086 4.401010 236.9502 3.785183 2.258377       5.804869 
1 1 1 18 20 19 o 85.15875 3.727684 73.32476       6.368274      76.15857       9.911241      70.51929       8.005506      86.71613 5.714762 83.60136 4.787904 3.114769       7.455369 
1 1 1 18 20 20 o 105.5429 3.476144 112.5730       7.311223      109.1016       11.32106      116.0444       9.252379      103.7900 5.453829 107.2959 4.311620 -3.505859      6.952289 
1 1 1 18 20 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 20 22 f 166.3428 2.973817 279.4134       9.911241      285.7186       15.15378      273.1082       12.77339      168.1016 4.507329 164.5841 3.880505 3.517487       5.947633 
1 1 1 18 20 23 o 47.11530 6.018376 23.77564       5.410447      18.25680       8.083434      29.28740       7.197870      40.80256 9.975428 53.42804 6.736042 -12.62549      12.03675 
1 1 1 18 20 24 f 77.65762 3.689713 61.55029       5.636442      54.91210       8.763549      68.18848       7.091603      73.24282 5.982531 82.07243 4.320332 -8.829605      7.379427 
1 1 1 18 20 25 o 33.43192 7.111265 11.94450       5.372190      11.09435       8.954830      12.79464       5.939660      32.67931 11.27368 34.18453 8.670897 -1.505222      14.22253 
1 1 1 18 20 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 20 27 o 20.13544 6.111094 0.5118564      4.435616      0.7438744      6.956996      0.2799093      5.503962      21.36623 9.142287 18.90464 8.111747 2.461594       12.22219 
1 1 1 18 20 28 o 42.87344 5.488424 20.23338       4.663030      25.15712       7.353730      15.30964       5.737751      48.57530 7.569413 37.17157 7.949541 11.40372       10.97685 
1 1 1 18 20 29 o 19.10392 5.888775 -0.6270507     4.383191      -2.991792      6.828058      1.737124       5.498294      18.33773 8.359797 19.87011 8.296053 -1.532379      11.77755 
1 1 1 18 20 30 o 47.54917 5.297659 24.48409       5.070390      26.46067       7.970083      22.50043       6.269090      49.17437 8.103899 45.92396 6.825511 3.250412       10.59532 
1 1 1 18 20 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 20 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 20 33 o 25.88088 6.394604 8.161365       4.174906      11.21479       6.290343      5.106521       5.491918      29.53071 9.442117 22.23106 8.626139 7.299656       12.78921 
1 1 1 18 20 34 o 47.10069 4.717920 25.74514       4.241501      22.70588       6.405821      28.78440       5.560638      43.10457 7.708928 51.09682 5.441277 -7.992249      9.435840 
1 1 1 18 20 35 o 23.19909 6.062546 6.580809       4.007003      3.810762       6.186910      9.351563       5.093060      20.23622 8.638902 26.16195 8.508068 -5.925726      12.12509 
1 1 1 18 21 0  o 38.81858 12.48052 19.28406       8.522675      19.28406       8.522675      19.28406       8.522675      38.81858 12.48052 38.81858 12.48052 0.000000       0.000000 
1 1 1 18 21 1  o 44.74689 6.876265 21.20396       5.983583      19.92875       8.657280      22.48626       8.260548      43.29968 10.16076 46.19410 9.267735 -2.894417      13.75253 
1 1 1 18 21 2  o 185.8992 3.084962 347.2122       11.43441      334.8851       17.38541      359.4684       14.84915      182.5311 4.762314 189.2674 3.922796 -6.736328      6.169924 
1 1 1 18 21 3  o 130.5666 2.823431 171.5870       7.424574      190.5027       11.55485      152.7422       9.330310      137.7459 4.194263 123.3874 3.780901 14.35850       5.646862 
1 1 1 18 21 4  o 165.2989 2.704243 274.1708       8.947746      277.0755       13.69437      271.2662       11.51943      166.1295 4.121597 164.4683 3.502021 1.661194       5.408485 
1 1 1 18 21 5  o 25.21662 6.613875 4.917363       4.546844      7.778800       6.922991      2.058053       5.896444      28.80972 9.915048 21.62352 8.755867 7.186199       13.22775 
1 1 1 18 21 6  o 66.88998 3.659862 45.07170       4.895402      47.99761       7.068224      42.14579       6.774216      69.06815 5.116848 64.71181 5.234142 4.356339       7.319725 
1 1 1 18 21 7  o 160.0843 2.708672 257.1680       8.678535      259.8601       13.25513      254.4759       11.20771      160.8788 4.119601 159.2898 3.518025 1.589081       5.417344 
1 1 1 18 21 8  o 25.96000 6.380723 5.745543       4.235125      2.520671       6.062930      8.969000       5.914155      22.30588 8.941833 29.61411 9.104843 -7.308229      12.76145 
1 1 1 18 21 9  o 118.9165 2.676682 142.0446       6.371107      149.6250       9.309056      134.4642       8.699788      122.0887 3.812415 115.7444 3.758190 6.344315       5.353363 
1 1 1 18 21 10 o 65.73843 4.100213 43.63354       5.379983      42.76923       8.260548      44.49786       6.893235      65.02481 6.351843 66.45205 5.186625 -1.427238      8.200426 
1 1 1 18 21 11 o 193.2988 2.553864 375.2669       9.875818      392.7657       14.32489      357.8390       13.60227      197.7965 3.621119 188.8011 3.602276 8.995407       5.107728 
1 1 1 18 21 12 o 61.38574 4.314925 38.10762       5.309138      37.13704       6.755795      39.07111       8.189702      60.66261 5.568336 62.10887 6.593022 -1.446255      8.629849 
1 1 1 18 21 13 o 58.66629 4.186271 34.82040       4.905321      37.27165       6.995253      32.36916       6.879067      60.75030 5.757381 56.58229 6.078817 4.168015       8.372541 
1 1 1 18 21 14 o 104.8014 3.145304 110.5893       6.599228      112.1479       9.889987      109.0307       8.735210      105.5007 4.687165 104.1021 4.195503 1.398659       6.290608 
1 1 1 18 21 15 o 188.6548 2.798043 357.9099       10.57010      363.1524       16.08185      352.5965       13.71563      189.9721 4.232689 187.3376 3.660671 2.634491       5.596086 
1 1 1 18 21 16 o 89.82547 3.185870 81.47195       5.796553      90.39845       9.401155      72.61631       6.786968      94.67181 4.965129 84.97913 3.993315 9.692688       6.371740 
1 1 1 18 21 17 o 43.71299 7.089447 19.92875       6.436285      17.37832       11.42733      22.47918       5.922657      40.38048 12.70508 47.04549 6.294606 -6.665012      14.17889 
1 1 1 18 21 18 o 159.7742 3.376721 257.5931       10.82514      261.7021       18.75272      253.4841       10.80389      160.6980 5.834771 158.8504 3.400650 1.847610       6.753442 
1 1 1 18 21 19 o 29.61800 6.949086 5.558513       5.902820      -3.005253      9.642029      14.11944       6.815306      23.06785 10.27906 36.16816 9.354148 -13.10031      13.89817 
1 1 1 18 21 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 21 21 o 21.46037 6.680175 -2.057344      5.703037      -4.628315      8.940661      0.5138401      7.080267      21.17388 9.629448 21.74685 9.261355 -0.5729694     13.36035 
1 1 1 18 21 22 o 105.2644 3.334824 112.2896       6.993836      107.5430       10.51342      117.0362       9.231127      102.9220 5.107470 107.6068 4.289284 -4.684799      6.669648 
1 1 1 18 21 23 o 81.86786 4.068015 68.64898       6.630400      62.52087       9.542846      74.74166       9.202788      78.10352 6.109101 85.63219 5.373440 -7.528679      8.136029 
1 1 1 18 21 24 o 58.41837 4.962542 35.46510       5.699495      31.41275       8.763549      39.52452       7.289969      54.75879 8.001957 62.07795 5.871624 -7.319168      9.925084 
1 1 1 18 21 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 21 26 o 54.04773 5.028350 30.69721       5.461455      33.50977       8.388069      27.89175       7.000212      56.40911 7.435031 51.68636 6.771818 4.722748       10.05670 
1 1 1 18 21 27 o 21.26834 6.365233 0.6249253      4.862813      5.158237       7.374983      -3.908529      6.341352      25.30794 9.956144 17.22874 7.933470 8.079203       12.73047 
1 1 1 18 21 28 o 15.17156 5.138572 -7.025008      4.360521      -5.214913      6.800429      -8.834394      5.460038      17.10655 8.005688 13.23656 6.444273 3.869985       10.27714 
1 1 1 18 21 29 o 50.66250 5.084781 27.60837       5.158237      28.34516       8.090520      26.87158       6.402279      50.94941 7.939757 50.37559 6.354545 0.5738258      10.16956 
1 1 1 18 21 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 21 31 o 63.49061 7.176319 49.30824       8.359732      44.24281       14.29656      54.37368       8.678535      56.15806 12.97919 70.82316 6.126904 -14.66510      14.35264 
1 1 1 18 21 32 o 46.76080 4.888069 24.78873       4.585808      29.64871       7.048388      19.92166       5.869523      51.43853 6.851272 42.08308 6.973733 9.355446       9.776138 
1 1 1 18 21 33 o 54.35341 4.198210 33.29015       4.595018      39.96377       7.176617      26.62362       5.744836      59.79348 6.001170 48.91334 5.872464 10.88014       8.396420 
1 1 1 18 21 34 o 26.82221 6.433083 9.946663       4.215996      8.742295       6.417865      11.15812       5.468539      25.10527 9.431578 28.53916 8.751203 -3.433887      12.86617 
1 1 1 18 22 0  o 14.15946 9.183484 0.1239791      5.989960      0.1239791      5.989960      0.1239791      5.989960      14.15946 9.183484 14.15946 9.183484 0.000000       0.000000 
1 1 1 18 22 1  o 32.51191 5.988681 10.99517       4.267005      17.39958       6.153612      4.583683       5.913447      40.76083 7.827700 24.26300 9.065557 16.49783       11.97736 
1 1 1 18 22 2  o 24.08651 6.518924 4.069347       4.400194      2.942909       6.074266      5.195786       6.368274      22.73657 9.006710 25.43645 9.426805 -2.699879      13.03785 
1 1 1 18 22 3  o 145.0850 2.996902 211.4729       8.735210      204.8134       10.39299      218.1323       14.03443      142.8832 3.636882 147.2867 4.764323 -4.403503      5.993804 
1 1 1 18 22 4  o 23.31356 6.644253 2.675114       4.777799      3.576265       7.346645      1.773255       6.112522      24.95872 9.899457 21.66841 8.864827 3.290310       13.28851 
1 1 1 18 22 5  o 161.9175 2.856110 263.3315       9.245295      259.6476       13.46767      266.9446       12.66712      160.7698 4.188494 163.0651 3.884067 -2.295303      5.712220 
1 1 1 18 22 6  o 39.80463 6.459378 16.88949       5.056221      18.96525       7.587519      14.82081       6.687077      42.26099 9.231709 37.34827 9.037135 4.912727       12.91876 
1 1 1 18 22 7  o 58.46051 4.583081 34.59370       5.354478      34.33866       8.246379      34.84166       6.829475      58.17958 7.087005 58.74144 5.813167 -0.5618591     9.166162 
1 1 1 18 22 8  o 92.24880 3.450644 85.93520       6.389527      94.86169       9.677451      77.00871       8.345562      97.03868 4.986389 87.45892 4.771132 9.579758       6.901288 
1 1 1 18 22 9  o 60.93790 4.458797 37.59045       5.415406      36.14521       8.203872      39.02861       7.068932      59.70193 6.870693 62.17387 5.684810 -2.471939      8.917594 
1 1 1 18 22 10 o 26.20301 6.832416 5.083141       4.915947      2.342142       7.516674      7.821308       6.333559      24.05545 9.834089 28.35056 9.487797 -4.295118      13.66483 
1 1 1 18 22 11 o 236.0273 2.900151 560.0311       13.70854      569.0993       21.11895      550.8921       17.48459      237.8421 4.439699 234.2124 3.732636 3.629730       5.800301 
1 1 1 18 22 12 o 125.5285 2.981151 158.5515       7.481250      159.6850       9.719957      157.4180       11.37065      126.0405 3.855889 125.0166 4.547655 1.023804       5.962302 
1 1 1 18 22 13 o 98.61769 2.995592 97.83719       5.906363      99.25409       8.239295      96.49113       8.465999      99.32655 4.147579 97.90883 4.323409 1.417717       5.991183 
1 1 1 18 22 14 o 130.0352 2.759419 170.0993       7.176617      178.0339       10.25130      162.0938       10.03876      133.0927 3.851188 126.9777 3.952964 6.115005       5.518838 
1 1 1 18 22 15 o 61.63500 4.260486 38.80191       5.212788      45.37634       7.537927      32.22039       7.204955      66.95193 5.629357 56.31807 6.396664 10.63387       8.520972 
1 1 1 18 22 16 o 47.58974 5.395594 23.16637       5.134150      22.42958       7.197870      23.91025       7.325392      46.82144 7.686511 48.35805 7.574118 -1.536610      10.79119 
1 1 1 18 22 17 o 124.8624 3.232450 157.3471       8.090520      164.2900       12.25622      150.4043       10.57010      127.5621 4.804019 122.1627 4.326239 5.399391       6.464901 
1 1 1 18 22 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 22 19 f 95.16420 4.659645 93.23225       9.146112      105.1342       16.38649      81.33026       8.140111      100.6662 8.139026 89.66224 4.539319 11.00393       9.319289 
1 1 1 18 22 20 o 87.09254 4.661129 77.71716       8.203872      81.68449       14.60119      73.74983       7.495420      88.75500 8.225559 85.43008 4.386874 3.324921       9.322258 
1 1 1 18 22 21 o 78.82773 5.352221 64.69582       7.870899      52.84342       13.85732      76.51279       7.474166      70.66806 9.804512 86.98740 4.296121 -16.31934      10.70444 
1 1 1 18 22 22 o 64.28702 4.552227 42.66296       5.948161      47.72131       9.819141      37.60462       6.712580      67.88082 7.232634 60.69321 5.529927 7.187607       9.104454 
1 1 1 18 22 23 f 27.85980 7.049870 7.233293       5.088809      5.763964       7.856731      8.699788       6.473125      26.80168 10.33445 28.91791 9.591762 -2.116230      14.09974 
1 1 1 18 22 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 22 25 o 47.84084 6.122436 25.36966       5.877316      32.45417       9.627860      18.28514       6.748003      54.98923 8.754313 40.69245 8.561476 14.29678       12.24487 
1 1 1 18 22 26 o 53.66816 5.161771 30.56969       5.535134      30.61929       8.444746      30.52010       7.162447      53.44575 7.900297 53.89058 6.645362 -0.4448242     10.32354 
1 1 1 18 22 27 o 41.80889 6.399113 19.99251       5.212788      19.21321       7.899237      20.76472       6.806097      40.52582 9.832208 43.09196 8.192820 -2.566139      12.79823 
1 1 1 18 22 28 o 42.78262 6.321883 21.01268       5.240418      20.99851       7.828392      21.02685       6.971166      42.44169 9.466192 43.12354 8.381888 -0.6818466     12.64377 
1 1 1 18 22 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 22 30 o 29.22309 7.126717 10.10961       5.251045      7.537927       7.991336      12.68129       6.813890      26.53353 10.38288 31.91265 9.765053 -5.379122      14.25343 
1 1 1 18 22 31 o 47.31356 5.385526 25.84432       4.934367      25.24214       7.630026      26.44650       6.262005      45.67468 8.666408 48.95245 6.396009 -3.277767      10.77105 
1 1 1 18 22 32 o 19.61695 5.964814 1.696742       4.364771      5.010880       6.302387      -1.617396      6.040260      22.23277 9.032866 17.00113 7.792518 5.231640       11.92963 
1 1 1 18 22 33 o 19.07386 5.869291 2.286882       4.189075      3.200077       6.162822      1.373688       5.676116      19.98417 8.579538 18.16356 8.011606 1.820602       11.73858 
1 1 1 18 22 34 o 18.09118 5.720941 1.526714       4.316597      -0.6922282E-01 6.410071      3.122856       5.781674      17.27513 7.963080 18.90722 8.216205 -1.632095      11.44188 
1 1 1 18 23 0  o 231.1637 3.727333 535.8729       17.22246      535.8729       17.22246      535.8729       17.22246      231.1637 3.727333 231.1637 3.727333 0.000000       0.000000 
1 1 1 18 23 1  o 36.74329 5.921057 14.20446       4.432074      9.117774       6.240752      19.29114       6.295302      29.89831 9.385527 43.58827 7.221327 -13.68995      11.84211 
1 1 1 18 23 2  o 79.03810 3.346831 63.24349       5.265214      53.78566       7.268716      72.68716       7.615856      73.07159 4.973694 85.00460 4.479673 -11.93301      6.693662 
1 1 1 18 23 3  o 42.47206 5.493727 18.73855       4.554636      20.96309       6.483042      16.51401       6.399445      45.44225 7.133276 39.50187 8.357063 5.940372       10.98745 
1 1 1 18 23 4  o 40.07590 5.894969 16.97450       4.571640      16.36524       6.596395      17.59086       6.331434      39.27288 8.632311 40.87891 8.030309 -1.606022      11.78994 
1 1 1 18 23 5  o 67.84686 4.319539 47.29624       5.643527      59.27616       7.580434      35.30924       8.359732      76.71225 4.940824 58.98148 7.086743 17.73077       8.639078 
1 1 1 18 23 6  o 64.56030 4.017156 42.43626       5.175241      34.60078       6.883317      50.27882       7.729208      58.52452 5.880712 70.59606 5.474249 -12.07154      8.034312 
1 1 1 18 23 7  o 85.36519 3.360890 73.39561       5.723582      77.00871       7.835476      69.78958       8.345562      87.49714 4.477561 83.23323 5.013359 4.263908       6.721780 
1 1 1 18 23 8  o 46.48282 5.176937 21.96909       4.811096      22.68463       6.808222      21.24647       6.799012      47.25579 7.203585 45.70984 7.437141 1.545952       10.35387 
1 1 1 18 23 9  f 65.94116 4.444788 44.62538       5.861022      54.64288       8.947746      34.60787       7.566265      73.46426 6.089863 58.41807 6.475963 15.04620       8.889575 
1 1 1 18 23 10 o 29.07410 7.667876 6.279717       6.309471      4.170656       10.54885      8.388069       6.927242      28.81288 11.69311 29.33531 9.922527 -0.5224304     15.33575 
1 1 1 18 23 11 o 88.95258 3.566517 79.84251       6.359772      82.67632       9.677451      77.00871       8.253463      90.48392 5.347609 87.42122 4.720515 3.062706       7.133034 
1 1 1 18 23 12 o 100.7793 3.530960 102.6547       7.029967      92.38211       10.71179      112.9981       9.110690      95.59695 5.602580 105.9617 4.299049 -10.36472      7.061921 
1 1 1 18 23 13 o 19.18515 6.209060 -4.880525      5.412572      -5.438076      8.458915      -4.322973      6.757213      20.22087 9.248775 18.14943 8.286730 2.071445       12.41812 
1 1 1 18 23 14 o 79.91682 4.093059 64.74541       6.562388      67.80592       10.07418      61.68490       8.416408      81.73756 6.162519 78.09608 5.388495 3.641479       8.186117 
1 1 1 18 23 15 o 79.25311 4.371252 63.82442       6.957705      66.91327       10.81806      60.73557       8.749379      81.07246 6.671846 77.43377 5.649589 3.638687       8.742504 
1 1 1 18 23 16 o 44.73573 7.852576 22.42250       7.155363      29.44325       11.32814      15.39466       8.749379      51.78703 11.25211 37.68444 10.95636 14.10259       15.70515 
1 1 1 18 23 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 23 18 o 31.07740 7.420516 9.528677       5.589684      12.36248       7.750463      6.692744       8.055097      33.98109 10.41794 28.17370 10.56989 5.807390       14.84103 
1 1 1 18 23 19 o 85.97916 3.710440 75.16674       6.423533      79.13406       10.42133      71.12856       7.516674      88.09356 5.914919 83.86475 4.481426 4.228813       7.420879 
1 1 1 18 23 20 o 118.6190 3.175812 142.5405       7.559181      146.5787       12.31289      138.5023       8.784801      120.0723 5.127284 117.1657 3.748879 2.906555       6.351624 
1 1 1 18 23 21 o 95.92719 4.658366 95.64099       8.303054      76.15857       14.47367      115.0526       8.140111      85.13550 8.500373 106.7189 3.813810 -21.58338      9.316731 
1 1 1 18 23 22 o 47.66510 8.619393 23.25847       10.37173      15.40883       19.63828      31.11520       6.698411      40.34721 16.12672 54.98299 6.091350 -14.63578      17.23879 
1 1 1 18 23 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 23 24 o 23.80964 7.331815 0.7807139      6.678575      0.8558097      11.52651      0.7048386      6.742336      26.57141 11.57453 21.04787 9.002909 5.523533       14.66363 
1 1 1 18 23 25 o 147.0845 3.504925 222.4539       10.31506      225.9253       17.95217      219.0533       10.15920      147.1760 6.098877 146.9930 3.455675 0.1830139      7.009850 
1 1 1 18 23 26 o 50.95799 5.144637 27.91300       5.269464      29.45742       8.395153      26.36857       6.366856      51.96110 8.078306 49.95488 6.372607 2.006222       10.28927 
1 1 1 18 23 27 o 93.84057 3.646834 91.95705       6.669365      77.22124       10.19462      106.7637       8.607689      85.67854 5.949344 102.0026 4.219348 -16.32405      7.293667 
1 1 1 18 23 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 23 29 o 77.52829 4.371695 65.02171       6.777050      64.99337       9.833311      65.05004       9.330310      77.34373 6.356890 77.71285 6.003068 -0.3691254     8.743390 
1 1 1 18 23 30 o 59.53308 4.973194 40.01336       5.904946      35.59262       8.168448      44.42701       8.529759      55.98458 7.295266 63.08157 6.760897 -7.096985      9.946388 
1 1 1 18 23 31 o 23.30939 6.866565 5.294260       5.369356      4.145151       8.019674      6.444077       7.141194      22.64550 9.756096 23.97329 9.665271 -1.327787      13.73313 
1 1 1 18 23 32 o 30.23621 6.892218 13.08510       4.939326      10.33631       7.396237      15.83390       6.548220      26.74156 10.10571 33.73086 9.374713 -6.989300      13.78444 
1 1 1 18 23 33 o 17.16729 5.511844 -1.744917      4.506462      -7.325392      6.888276      3.835558       5.811430      14.66604 7.157704 19.66855 8.383851 -5.002505      11.02369 
1 1 1 18 24 0  o 39.70864 9.581395 18.42683       6.591435      18.42683       6.591435      18.42683       6.591435      39.70864 9.581395 39.70864 9.581395 0.000000       0.000000 
1 1 1 18 24 1  o 165.9979 2.566690 276.6504       8.522675      273.7458       12.01534      279.5551       12.08619      165.1249 3.638258 166.8709 3.621419 -1.745956      5.133381 
1 1 1 18 24 2  o 98.55457 3.028051 97.83719       5.955245      90.61098       8.423491      104.9926       8.423491      94.90644 4.437787 102.2027 4.120974 -7.296242      6.056102 
1 1 1 18 24 3  o 151.2757 2.931334 230.3177       8.813140      244.6284       11.49817      215.9361       13.36140      156.0769 3.683495 146.4744 4.561002 9.602524       5.862668 
1 1 1 18 24 4  o 107.1303 2.920259 115.4068       6.259880      116.6820       9.011506      114.1316       8.685618      107.7145 4.183051 106.5460 4.075995 1.168533       5.840518 
1 1 1 18 24 5  o 72.46463 3.768070 53.11263       5.455787      57.62547       7.892153      48.60688       7.537927      75.55989 5.222449 69.36938 5.433180 6.190514       7.536141 
1 1 1 18 24 6  o 42.90564 6.366396 19.95000       5.369356      14.46659       6.646695      25.44050       8.430575      36.78007 9.078783 49.03121 8.927468 -12.25114      12.73279 
1 1 1 18 24 7  o 107.6886 3.081778 116.7529       6.635359      117.3905       8.990252      116.1152       9.762465      108.0146 4.161592 107.3627 4.546489 0.6519012      6.163556 
1 1 1 18 24 8  o 78.56398 3.581123 62.40044       5.623690      68.34435       8.175533      56.46361       7.722124      82.32500 4.965401 74.80296 5.161644 7.522049       7.162247 
1 1 1 18 24 9  o 42.57937 6.046651 19.29114       5.049844      25.30589       7.282885      13.28347       6.994544      49.85229 7.304463 35.30645 9.638090 14.54583       12.09330 
1 1 1 18 24 10 o 85.14692 3.697587 73.89152       6.223041      87.77718       8.883986      59.99170       8.713958      93.29684 4.761139 76.99699 5.658635 16.29985       7.395174 
1 1 1 18 24 11 o 74.13817 4.660131 55.97477       6.832309      60.15464       8.501422      51.79491       10.69762      77.09764 5.513412 71.17870 7.514624 5.918945       9.320263 
1 1 1 18 24 12 f 91.67330 3.551331 84.87252       6.515631      83.80984       8.898154      85.93520       9.514507      91.12396 4.882445 92.22264 5.158444 -1.098679      7.102663 
1 1 1 18 24 13 o 39.51547 7.090045 16.86824       5.616605      17.35707       7.856731      16.37940       8.033843      40.09615 9.854274 38.93480 10.19648 1.161354       14.18009 
1 1 1 18 24 14 o 55.04350 6.323872 32.21330       6.669365      38.63896       9.365732      25.78056       9.500339      61.30365 7.638806 48.78336 10.08038 12.52029       12.64774 
1 1 1 18 24 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 24 16 o 142.1359 3.320154 204.4592       9.443663      206.5845       14.44533      202.4047       12.17120      142.7240 5.060582 141.5478 4.299325 1.176178       6.640307 
1 1 1 18 24 17 o 31.45016 7.488819 9.613690       5.771049      6.378900       8.621859      12.85132       7.672533      28.35925 10.85391 34.54108 10.32096 -6.181826      14.97764 
1 1 1 18 24 18 o 27.82954 7.422031 6.521298       5.654862      7.736294       8.458915      5.309846       7.509589      29.39193 10.87015 26.26716 10.10871 3.124765       14.84406 
1 1 1 18 24 19 o 44.29293 6.902849 21.58652       5.962330      22.18163       8.905238      20.99851       7.934660      44.77370 10.17335 43.81216 9.332754 0.9615364      13.80570 
1 1 1 18 24 20 o 42.43227 7.059524 20.01376       5.914155      20.59469       8.983169      19.42575       7.693786      42.87093 10.53754 41.99360 9.397222 0.8773308      14.11905 
1 1 1 18 24 21 o 49.62017 6.162776 26.97076       6.013339      33.58770       9.309056      20.35382       7.615856      56.34334 8.261008 42.89700 9.147405 13.44634       12.32555 
1 1 1 18 24 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 24 23 f 41.24167 6.490360 18.75980       5.364397      15.06169       8.444746      22.46501       6.620482      36.25922 10.82659 46.22411 7.161286 -9.964890      12.98072 
1 1 1 18 24 24 o 98.87048 4.474239 102.3713       8.926493      108.4640       15.40174      96.34944       9.032760      100.7942 7.640193 96.94675 4.658619 3.847443       8.948479 
1 1 1 18 24 25 o 23.56383 7.042967 -1.897942      6.881192      -10.18754      11.95867      6.393777       6.816723      21.44422 10.21110 25.68343 9.702942 -4.239212      14.08593 
1 1 1 18 24 26 o 30.05388 7.732536 6.624732       7.374983      -0.2241541     12.84423      13.47475       7.247461      26.28384 11.78371 33.82393 10.01562 -7.540085      15.46507 
1 1 1 18 24 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 24 28 o 20.43953 6.428866 -2.036799      5.715081      -7.353730      9.146112      3.283674       6.853562      18.74150 8.926899 22.13757 9.253742 -3.396072      12.85773 
1 1 1 18 24 29 o 19.67976 6.103581 -0.5668323     5.032133      -4.407987      8.352647      3.274464       5.610230      18.73426 8.786167 20.62525 8.474556 -1.890989      12.20716 
1 1 1 18 24 30 o 33.26169 7.023423 15.30964       5.127066      17.95925       8.465999      12.65295       5.788759      35.24287 10.90525 31.28051 8.853781 3.962353       14.04685 
1 1 1 18 24 31 o 39.68761 5.943980 20.62303       4.743793      13.26222       7.289969      27.98384       6.075682      29.90684 10.17900 49.46837 6.140977 -19.56153      11.88796 
1 1 1 18 24 32 f 16.21968 5.373622 -2.026881      4.399486      -1.214995      6.432742      -2.838766      6.003421      16.87968 7.855454 15.55967 7.334514 1.320011       10.74724 
1 1 1 18 25 0  f 19.89259 11.19223 5.552136       6.674324      5.552136       6.674324      5.552136       6.674324      19.89259 11.19223 19.89259 11.19223 0.000000       0.000000 
1 1 1 18 25 1  o 129.4276 2.785235 168.4698       7.212039      164.0066       10.14503      172.8622       10.24421      127.7204 3.971577 131.1348 3.905984 -3.414406      5.570470 
1 1 1 18 25 2  o 177.7884 2.839338 317.8823       10.08127      326.9505       13.49601      308.8141       14.96959      180.3888 3.740810 175.1880 4.272436 5.200882       5.678677 
1 1 1 18 25 3  o 51.97056 4.916825 27.53044       5.099436      24.47701       7.044845      30.59095       7.374983      49.04884 7.181459 54.89228 6.717687 -5.843441      9.833650 
1 1 1 18 25 4  o 44.18150 5.814744 20.71513       4.976873      14.71454       6.852854      26.71572       7.219123      37.10490 9.255061 51.25810 7.041934 -14.15319      11.62949 
1 1 1 18 25 5  o 148.9927 2.711734 223.0915       8.083434      222.3830       11.47692      223.8708       11.37774      148.7398 3.858054 149.2457 3.811748 -0.5059052     5.423467 
1 1 1 18 25 6  o 107.9883 3.076811 117.4613       6.643153      117.3196       9.344479      117.5322       9.450747      107.9434 4.328418 108.0333 4.373999 -0.8991241E-01 6.153623 
1 1 1 18 25 7  o 83.91878 3.695749 71.12856       6.201078      72.19124       8.501422      70.15798       9.025676      84.55111 5.027386 83.28645 5.418454 1.264656       7.391499 
1 1 1 18 25 8  o 136.4398 3.232937 187.6689       8.834394      189.8651       13.91399      185.5435       10.88182      137.0954 5.074565 135.7841 4.007031 1.311356       6.465873 
1 1 1 18 25 9  o 75.69107 4.353021 58.65273       6.614814      69.56997       10.15920      47.73548       8.473083      82.80129 6.134686 68.58084 6.177442 14.22045       8.706042 
1 1 1 18 25 10 o 44.67062 6.461308 21.64320       5.726415      30.31465       8.501422      12.97175       7.672533      54.39898 7.813954 34.94226 10.29253 19.45672       12.92262 
1 1 1 18 25 11 o 75.64111 4.368244 58.21348       6.602063      54.95461       9.280719      61.47945       9.394071      73.49226 6.314079 77.78996 6.038099 -4.297699      8.736488 
1 1 1 18 25 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 25 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 25 14 o 34.31468 6.568126 10.62678       5.974374      -4.236542      8.012589      25.49718       8.862731      20.04465 9.115920 48.58471 9.458389 -28.54005      13.13625 
1 1 1 18 25 15 o 76.58583 4.185126 59.80750       6.409364      56.98786       8.891070      62.63422       9.238212      74.77078 5.945551 78.40088 5.891650 -3.630096      8.370253 
1 1 1 18 25 16 o 57.71883 5.137420 34.43076       5.938243      31.18605       7.970083      37.66838       8.806056      55.00056 7.245456 60.43709 7.285307 -5.436531      10.27484 
1 1 1 18 25 17 o 35.97766 7.053217 14.23280       5.569848      7.311223       7.389152      21.14729       8.338477      28.08942 10.18523 43.86589 9.759742 -15.77647      14.10643 
1 1 1 18 25 18 o 25.05957 7.029879 4.051636       5.298511      5.520257       7.254546      2.583724       7.722124      26.09412 9.965090 24.02503 9.918355 2.069082       14.05976 
1 1 1 18 25 19 o 22.86972 6.504609 0.3314137      5.177365      -7.771716      6.977541      8.430575       7.651280      16.50955 7.832107 29.22989 10.38739 -12.72034      13.00922 
1 1 1 18 25 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 25 21 o 67.18722 4.804868 47.38125       6.339226      40.31799       9.450747      54.45161       8.444746      61.76556 7.650499 72.60887 5.815229 -10.84331      9.609736 
1 1 1 18 25 22 o 25.19407 7.381971 1.820013       6.499337      9.139028       9.656199      -5.499003      8.699788      30.50854 11.54170 19.87959 9.206689 10.62896       14.76394 
1 1 1 18 25 23 o 31.67598 7.451913 10.63386       5.912738      4.813221       8.402238      16.45733       8.317224      25.87448 10.46239 37.47748 10.61425 -11.60300      14.90383 
1 1 1 18 25 24 o 76.75845 4.901944 63.55521       7.545012      71.48279       11.40607      55.62054       9.889987      81.51810 6.996038 71.99879 6.868162 9.519302       9.803887 
1 1 1 18 25 25 o 27.21122 7.925547 5.643527       6.970457      6.512797       10.34340      4.773548       9.344479      28.18581 11.53150 26.23664 10.87574 1.949167       15.85109 
1 1 1 18 25 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 25 27 o 32.93781 9.206553 17.53418       10.09544      39.37575       18.56144      -4.310929      7.955913      47.30344 16.23937 18.57217 8.679018 28.73127       18.41311 
1 1 1 18 25 28 o 21.91831 6.903117 2.746668       6.135900      7.424574       10.83223      -1.933365      5.768215      27.05031 11.48568 16.78631 7.661017 10.26400       13.80623 
1 1 1 18 25 29 o 43.08463 7.060279 24.80290       6.365439      23.37891       11.12269      26.23397       6.193994      37.98080 12.57322 48.18845 6.426845 -10.20765      14.12056 
1 1 1 18 25 30 o 40.33543 7.182113 23.45684       6.543260      21.37399       11.43441      25.54677       6.366856      34.10416 12.63314 46.56671 6.836275 -12.46254      14.36423 
1 1 1 18 25 31 o 17.59035 5.653764 0.1045675      4.475998      -1.479956      7.155363      1.688949       5.377857      17.45182 8.175259 17.72887 7.811871 -0.2770557     11.30753 
1 1 1 18 26 0  o 46.28177 9.336668 24.10861       7.665448      24.10861       7.665448      24.10861       7.665448      46.28177 9.336668 46.28177 9.336668 0.000000       0.000000 
1 1 1 18 26 1  o 32.07276 6.897839 10.56302       4.990335      6.708330       7.013672      14.42408       7.098687      27.50045 9.927858 36.64507 9.579059 -9.144615      13.79568 
1 1 1 18 26 2  o 100.4014 3.266768 101.7337       6.556721      97.41212       9.195704      105.9844       9.351563      98.27402 4.678604 102.5288 4.560456 -4.254799      6.533536 
1 1 1 18 26 3  o 41.26426 6.728003 18.36307       5.457204      15.52218       7.516674      21.21105       7.913406      37.97405 9.824846 44.55447 9.194372 -6.580421      13.45601 
1 1 1 18 26 4  o 44.49157 6.198694 20.96309       5.416114      25.46884       7.927575      16.46442       7.382068      49.85372 7.950837 39.12943 9.512067 10.72429       12.39739 
1 1 1 18 26 5  o 75.56384 3.972915 57.85926       5.999878      61.53612       8.579351      54.18948       8.388069      77.98393 5.500718 73.14375 5.733961 4.840179       7.945829 
1 1 1 18 26 6  o 27.79049 6.704076 4.110437       5.518839      14.85623       7.927575      -6.638901      7.679617      37.17375 10.30949 18.40723 8.572809 18.76652       13.40815 
1 1 1 18 26 7  o 128.9281 3.140478 167.7614       8.090520      178.2465       11.48400      157.2763       11.39190      132.9901 4.317616 124.8662 4.561646 8.123932       6.280957 
1 1 1 18 26 8  o 27.15828 7.768708 2.568846       6.902445      -2.082848      10.84640      7.219123       8.543928      25.09653 11.07154 29.22004 10.90102 -4.123507      15.53742 
1 1 1 18 26 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 26 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 26 11 o 37.55980 7.839219 15.41591       6.298845      14.98375       9.011506      15.85515       8.798972      37.09539 11.20586 38.02421 10.96550 -0.9288216     15.67844 
1 1 1 18 26 12 o 64.53185 4.828325 42.70547       6.229416      43.41393       8.713958      41.98994       8.905238      65.10126 6.692617 63.96244 6.961304 1.138824       9.656650 
1 1 1 18 26 13 o 24.45343 7.037781 1.826389       5.679658      -2.898985      8.161365      6.551054       7.906322      21.00908 9.406639 27.89777 10.47075 -6.888691      14.07556 
1 1 1 18 26 14 o 132.9479 3.056774 178.8841       8.125941      166.9821       11.27147      190.8569       11.70362      128.4862 4.386256 137.4095 4.258665 -8.923325      6.113548 
1 1 1 18 26 15 o 24.78311 7.014534 3.459370       5.363688      1.129981       7.707955      5.788759       7.459997      22.94409 9.712737 26.62213 10.12312 -3.678036      14.02907 
1 1 1 18 26 16 o 47.08557 6.057383 23.82524       5.569848      19.80123       7.608772      27.84924       8.133026      42.50927 9.209157 51.66187 7.871402 -9.152592      12.11477 
1 1 1 18 26 17 o 34.57085 7.302170 13.17720       5.457912      14.82081       7.722124      11.52651       7.715039      36.48510 10.19356 32.65660 10.45840 3.828499       14.60434 
1 1 1 18 26 18 o 66.76939 7.086847 49.35075       8.933578      40.23298       13.38974      58.47561       11.82406      59.14744 11.73608 74.39135 7.947201 -15.24391      14.17369 
1 1 1 18 26 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 26 20 o 82.34145 4.464326 71.41194       7.459997      55.37259       8.855647      87.42295       12.01534      73.10359 6.056917 91.57931 6.560075 -18.47572      8.928652 
1 1 1 18 26 21 o 52.87987 6.434669 30.98060       6.639610      30.84599       8.551013      31.11520       10.15920      53.60205 7.976387 52.15769 10.09936 1.444359       12.86934 
1 1 1 18 26 22 o 28.65728 6.953441 3.800843       6.342769      17.29331       8.260548      -9.684536      9.627860      38.18998 10.49576 19.12457 9.123623 19.06540       13.90688 
1 1 1 18 26 23 o 34.75298 7.627359 14.70746       6.002004      16.26605       9.967916      13.15595       6.692035      36.11118 11.90266 33.39477 9.541133 2.716408       15.25472 
1 1 1 18 26 24 o 65.07651 5.420256 47.00578       6.930784      42.81174       10.75430      51.19981       8.749379      61.15038 8.793321 69.00262 6.339889 -7.852242      10.84051 
1 1 1 18 26 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 26 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 26 27 o 25.67222 7.053950 7.282885       5.271589      5.059054       7.545012      9.514507       7.367898      23.67845 9.791337 27.66599 10.15690 -3.987541      14.10790 
1 1 1 18 26 28 o 30.71664 7.096790 13.03551       5.075349      11.29981       7.275800      14.77830       7.077433      28.65953 10.13488 32.77374 9.936902 -4.114206      14.19358 
1 1 1 18 26 29 o 20.61807 6.450289 2.662362       5.304887      6.393777       8.154280      -1.068345      6.790511      23.45766 9.962916 17.77848 8.195437 5.679180       12.90058 
1 1 1 18 26 30 o 16.47425 5.838814 -8.798972      7.502505      -9.224042      13.67312      -8.373900      6.167781      19.48132 9.616534 13.46718 6.624898 6.014146       11.67763 
1 1 1 18 27 0  o 15.96465 10.58693 -1.098809      8.529759      -1.098809      8.529759      -1.098809      8.529759      15.96465 10.58693 15.96465 10.58693 0.000000       0.000000 
1 1 1 18 27 1  f 68.85111 4.954080 48.51478       6.818140      47.02703       9.698705      49.99545       9.585353      67.76393 7.156244 69.93829 6.852721 -2.174362      9.908159 
1 1 1 18 27 2  o 74.57944 4.694425 56.97369       6.987460      50.65430       9.642029      63.29308       10.11669      70.38062 6.849917 78.77825 6.420993 -8.397629      9.388850 
1 1 1 18 27 3  o 70.05330 5.123952 50.37092       7.176617      51.79491       10.02459      48.95402       10.26547      71.08897 7.050736 69.01763 7.436844 2.071342       10.24790 
1 1 1 18 27 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 27 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 27 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 27 7  o 93.35464 4.209941 89.19408       7.842561      79.13406       10.80389      99.25409       11.37774      88.01526 6.137509 98.69402 5.764147 -10.67876      8.419882 
1 1 1 18 27 8  o 26.35894 7.461115 3.887983       6.065056      1.072596       8.543928      6.703371       8.614774      24.07287 10.21000 28.64500 10.88250 -4.572132      14.92223 
1 1 1 18 27 9  o 39.86765 7.312047 17.40666       6.099061      11.19354       8.657280      23.61978       8.593520      33.03118 11.09258 46.70413 9.529895 -13.67295      14.62409 
1 1 1 18 27 10 o 35.09938 7.925080 13.12053       6.307346      11.13686       8.551013      15.11128       9.273635      32.90797 11.02428 37.29079 11.38827 -4.382820      15.85016 
1 1 1 18 27 11 f 30.73311 7.572179 9.224042       5.754754      7.396237       8.189702      11.05185       8.090520      28.89640 10.69400 32.56982 10.72334 -3.673424      15.14436 
1 1 1 18 27 12 o 62.78900 5.040275 41.91909       6.066473      56.56279       8.791886      27.28248       8.359732      74.40112 5.908438 51.17688 8.167487 23.22423       10.08055 
1 1 1 18 27 13 o 47.02092 6.284012 23.80398       5.759713      27.92008       8.189702      19.68787       8.097604      51.76656 7.910225 42.27528 9.766450 9.491280       12.56802 
1 1 1 18 27 14 o 21.62684 6.611903 -0.1391399     5.255295      0.8161364      7.297054      -1.094558      7.566265      22.10797 9.408212 21.14571 9.292716 0.9622593      13.22381 
1 1 1 18 27 15 o 44.86074 6.163380 21.75655       5.425323      18.26389       7.417490      25.25630       7.920490      40.67525 9.314034 49.04623 8.074515 -8.370975      12.32676 
1 1 1 18 27 16 o 42.13075 7.149575 19.65245       6.582225      30.13046       8.905238      9.181536       9.691620      53.26374 8.359571 30.99777 11.60100 22.26596       14.29915 
1 1 1 18 27 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 27 18 o 26.08152 7.457778 4.525590       6.028925      3.518172       8.189702      5.533009       8.848563      24.96643 10.24544 27.19662 10.83996 -2.230183      14.91556 
1 1 1 18 27 19 o 27.64901 7.369425 7.050512       5.624399      5.364397       8.281801      8.735210       7.615856      26.30420 10.48618 28.99381 10.35731 -2.689613      14.73885 
1 1 1 18 27 20 f 33.88639 7.489205 13.12761       5.734209      10.76138       8.409323      15.49384       7.800055      31.27879 10.91191 36.49398 10.26075 -5.215191      14.97841 
1 1 1 18 27 21 o 38.81473 7.334571 18.08677       5.899278      20.40341       7.693786      15.77014       8.947746      41.76751 9.432559 35.86195 11.23435 5.905560       14.66914 
1 1 1 18 27 22 o 28.82468 7.440204 8.218040       5.855353      12.26330       7.835476      4.179866       8.699788      32.34964 10.55296 25.29973 10.49102 7.049910       14.88041 
1 1 1 18 27 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 27 24 o 47.66530 7.180106 29.28031       6.644569      28.21763       9.783719      30.34299       8.997337      46.02959 10.80173 49.30101 9.462468 -3.271412      14.36021 
1 1 1 18 27 25 o 29.20952 12.00103 0.000000       0.000000      ?              ?             11.17229       11.25021      ?        ?        29.20952 12.00103 ?              ?        
1 1 1 18 27 26 o 37.06253 6.971891 17.88841       5.547885      15.72763       9.089437      20.04918       6.366856      33.25842 11.36607 40.86665 8.077225 -7.608227      13.94378 
1 1 1 18 27 27 f 27.84703 7.161936 10.76847       5.363688      16.23771       8.437660      5.297802       6.626858      33.11180 10.95097 22.58226 9.233070 10.52954       14.32387 
1 1 1 18 27 28 f 32.31229 6.226449 13.58811       5.255295      3.525965       8.104689      23.65520       6.689201      21.45352 9.503667 43.17107 8.047049 -21.71755      12.45290 
1 1 1 18 27 29 o 32.72510 6.835632 16.41483       4.881941      15.02626       7.353730      17.79631       6.423533      30.29844 10.22341 35.15175 9.076636 -4.853308      13.67126 
1 1 1 18 28 0  o 15.31246 10.24287 -1.880231      8.352647      -1.880231      8.352647      -1.880231      8.352647      15.31246 10.24287 15.31246 10.24287 0.000000       0.000000 
1 1 1 18 28 1  o 27.98958 7.557723 5.802928       6.045219      9.386987       8.678535      2.216746       8.416408      31.21518 11.06577 24.76398 10.29687 6.451200       15.11545 
1 1 1 18 28 2  o 84.68874 4.178432 73.11222       7.076016      69.33617       9.812057      76.93786       10.20170      82.47613 5.948422 86.90135 5.869705 -4.425224      8.356863 
1 1 1 18 28 3  o 25.61225 6.942616 1.579848       5.824182      11.16520       8.331393      -8.005506      8.140111      32.85724 10.88179 18.36726 8.624750 14.48998       13.88523 
1 1 1 18 28 4  o 40.46352 7.258960 17.95925       5.886526      17.65462       8.118857      18.25680       8.529759      40.15324 10.10920 40.77382 10.41989 -0.6205788     14.51792 
1 1 1 18 28 5  o 30.20722 7.446396 8.798972       5.576932      10.80389       7.863815      6.801846       7.906322      32.26518 10.57203 28.14926 10.48940 4.115919       14.89279 
1 1 1 18 28 6  o 91.12854 3.812332 84.51830       6.936451      91.24860       9.889987      77.78800       9.727042      94.80909 5.215738 87.44800 5.561616 7.361092       7.624663 
1 1 1 18 28 7  o 46.47300 7.356358 23.77564       6.723916      25.49010       10.57718      22.06119       8.303054      47.90767 11.22394 45.03833 9.512472 2.869339       14.71272 
1 1 1 18 28 8  o 72.23202 4.764317 53.60855       6.884026      54.04070       10.28672      53.16930       9.153197      72.41857 7.102266 72.04546 6.352376 0.3731079      9.528634 
1 1 1 18 28 9  o 25.69509 7.212269 4.010545       5.628649      6.786968       7.991336      1.234123       7.927575      28.07097 10.52864 23.31922 9.859766 4.751749       14.42454 
1 1 1 18 28 10 o 25.49180 7.118347 4.294635       5.411155      6.357646       7.771716      2.231623       7.530843      27.42513 10.36052 23.55848 9.764381 3.866644       14.23669 
1 1 1 18 28 11 o 111.8736 3.371601 127.5213       7.552096      140.4860       11.15812      114.4858       10.17337      117.6014 4.744040 106.1458 4.792165 11.45557       6.743202 
1 1 1 18 28 12 o 43.66823 6.912404 21.22522       6.143694      13.39682       8.218040      29.05361       9.139028      34.88797 10.73404 52.44849 8.712384 -17.56052      13.82481 
1 1 1 18 28 13 o 55.98148 6.257452 34.26073       6.736668      25.32006       9.039845      43.20139       9.996255      47.78073 9.796900 64.18224 7.787400 -16.40150      12.51490 
1 1 1 18 28 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 28 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 28 16 o 33.56102 7.032979 12.19245       5.654862      20.84974       8.465999      3.530215       7.502505      42.88186 10.03831 24.24017 9.853093 18.64169       14.06596 
1 1 1 18 28 17 o 29.49301 7.245258 9.054014       5.392735      5.077474       7.339560      13.02843       7.899237      25.23730 9.930984 33.74872 10.55228 -8.511419      14.49052 
1 1 1 18 28 18 o 29.37335 7.267728 9.195704       5.295677      7.545012       7.254546      10.84640       7.715039      27.52290 10.08099 31.22380 10.47154 -3.700899      14.53546 
1 1 1 18 28 19 o 44.18634 6.461067 22.47918       5.627941      28.15387       8.048012      16.79739       7.870899      50.81472 7.918977 37.55796 10.21133 13.25676       12.92213 
1 1 1 18 28 20 o 55.25998 5.594204 33.45309       6.180533      33.97735       8.607689      32.92884       8.869816      55.81339 7.711133 54.70657 8.106719 1.106812       11.18841 
1 1 1 18 28 21 o 29.06887 7.583114 8.614774       6.309471      14.47367       8.416408      2.759420       9.401155      33.85831 10.93150 24.27944 10.51269 9.578871       15.16623 
1 1 1 18 28 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 28 23 o 22.55569 7.029843 -1.273088      6.688493      -9.266549      9.868733      6.718248       9.032760      18.81250 9.037065 26.29889 10.77062 -7.486387      14.05969 
1 1 1 18 28 24 o 20.75384 6.584449 -0.3168197E-01 5.744836      -4.287550      7.403321      4.224498       8.784801      17.64997 8.276599 23.85771 10.24294 -6.207737      13.16890 
1 1 1 18 28 25 f 41.21592 7.676470 23.81107       6.439827      25.32006       9.790804      22.30206       8.366816      41.91161 11.38609 40.52022 10.29902 1.391388       15.35294 
1 1 1 18 28 26 o 26.61490 7.235572 9.592437       5.530883      6.496503       7.665448      12.69546       7.977167      23.82608 9.861797 29.40371 10.59051 -5.577633      14.47114 
1 1 1 18 28 27 o 15.70251 5.347887 -5.871648      4.981124      -6.533343      7.183701      -5.210663      6.898903      15.59933 7.542323 15.80569 7.583728 -0.2063599     10.69577 
1 1 1 18 28 28 f 26.66728 6.959641 11.71071       5.006629      15.43008       7.509589      7.998421       6.621899      30.11854 10.33032 23.21601 9.329031 6.902527       13.91928 
1 1 1 18 29 0  o 23.53925 12.34083 8.536844       7.573349      8.536844       7.573349      8.536844       7.573349      23.53925 12.34083 23.53925 12.34083 0.000000       0.000000 
1 1 1 18 29 1  o 35.42260 7.603450 13.62353       5.884400      15.33798       8.281801      11.90907       8.366816      37.31944 10.59873 33.52576 10.90490 3.793682       15.20690 
1 1 1 18 29 2  o 35.43250 7.483586 13.71563       5.727124      15.59302       8.352647      11.83823       7.842561      37.59821 10.63310 33.26680 10.53344 4.331409       14.96717 
1 1 1 18 29 3  o 49.27608 6.035351 25.82307       5.797261      22.98217       8.125941      28.67104       8.267632      46.03011 9.151778 52.52206 7.870629 -6.491951      12.07070 
1 1 1 18 29 4  o 69.10674 4.511444 49.29408       6.177700      41.71364       8.735210      56.87451       8.735210      63.62215 6.864913 74.59132 5.855380 -10.96917      9.022888 
1 1 1 18 29 5  o 79.68071 4.364936 65.09963       6.957705      64.12196       9.415324      66.07730       10.25130      79.15279 5.947564 80.20864 6.390395 -1.055855      8.729872 
1 1 1 18 29 6  o 34.42060 7.377601 12.53251       5.878025      6.398736       8.260548      18.66062       8.366816      27.85462 10.63471 40.98658 10.22834 -13.13196      14.75520 
1 1 1 18 29 7  o 41.94984 7.224889 19.63828       6.030342      22.44375       8.820225      16.83282       8.225125      45.01707 10.05315 38.88261 10.37931 6.134457       14.44978 
1 1 1 18 29 8  o 57.34750 5.458309 34.43076       6.243586      38.64605       9.061099      30.21547       8.593520      60.95750 7.432308 53.73750 7.995832 7.220005       10.91662 
1 1 1 18 29 9  o 36.82293 7.745150 13.31181       7.622942      -3.781715      9.443663      30.41383       11.97283      22.04343 9.982190 51.60242 11.84505 -29.55900      15.49030 
1 1 1 18 29 10 o 50.62509 7.060904 28.51518       6.894653      30.88141       9.705790      26.14896       9.797889      53.00442 9.499767 48.24577 10.44892 4.758656       14.12181 
1 1 1 18 29 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 29 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 29 13 f 64.08514 4.994765 43.37850       6.310180      35.59970       8.969000      51.15730       8.876901      58.00040 7.731842 70.16987 6.325294 -12.16946      9.989531 
1 1 1 18 29 14 o 23.03457 6.864170 1.397067       5.510338      -1.684698      7.715039      4.478832       7.870899      20.69642 9.209318 25.37272 10.18115 -4.676296      13.72834 
1 1 1 18 29 15 o 29.02801 7.458144 8.628942       5.604562      8.728126       7.934660      8.522675       7.920490      29.13387 10.55543 28.92214 10.53938 0.2117290      14.91629 
1 1 1 18 29 16 o 52.45338 5.941311 30.28631       6.062930      25.55386       8.288886      35.01168       8.855647      47.72253 9.013397 57.18423 7.743086 -9.461697      11.88262 
1 1 1 18 29 17 o 17.11350 5.746790 -7.736294      5.370772      -6.277591      7.452912      -9.202788      7.736294      17.52173 8.233861 16.70527 8.019097 0.8164635      11.49358 
1 1 1 18 29 18 o 31.27669 6.557068 8.395153       5.823474      21.86991       8.005506      -5.076765      8.458915      43.17876 9.525845 19.37461 9.013259 23.80415       13.11414 
1 1 1 18 29 19 o 63.19962 5.698349 44.18614       7.141194      37.71797       10.04585      50.64722       10.14503      58.11612 8.642909 68.28311 7.428652 -10.16700      11.39670 
1 1 1 18 29 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 29 21 o 47.12910 7.477156 30.11629       7.537927      14.06985       9.309056      46.16272       11.85948      32.48797 11.46637 61.77024 9.599674 -29.28227      14.95431 
1 1 1 18 29 22 o 31.94018 13.09801 15.36632       13.37557      15.36632       13.37557      ?              ?             31.94018 13.09801 ?        ?        ?              ?        
1 1 1 18 29 23 o 31.22146 6.868837 10.01751       6.233667      23.13803       8.331393      -3.103727      9.273635      42.23561 10.00425 20.20732 9.414811 22.02829       13.73767 
1 1 1 18 29 24 o 20.13586 6.280343 0.5516005      5.183742      4.796218       7.026425      -3.693159      7.622942      22.48504 9.382457 17.78667 8.351068 4.698372       12.56069 
1 1 1 18 29 25 o 15.01169 5.114408 -8.529759      4.815347      -2.056636      6.326474      -15.00501      7.261631      16.77896 7.801515 13.24443 6.615515 3.534523       10.22882 
1 1 1 18 29 26 o 38.52357 6.312426 21.21813       5.440201      10.40007       7.920490      32.04327       7.459997      26.02635 10.29271 51.02080 7.310741 -24.99445      12.62485 
1 1 1 18 30 0  o 8.886909 6.595272 -20.59469      7.821308      -20.59469      7.821308      -20.59469      7.821308      8.886909 6.595272 8.886909 6.595272 0.000000       0.000000 
1 1 1 18 30 1  o 50.33405 6.294963 27.52335       6.095519      21.38816       8.636027      33.66563       8.607689      43.84735 10.05656 56.82075 7.574424 -12.97340      12.58993 
1 1 1 18 30 2  o 47.33855 6.433683 24.41325       5.952412      29.44325       8.614774      19.37616       8.218040      52.96223 8.132941 41.71487 9.971178 11.24736       12.86737 
1 1 1 18 30 3  o 81.88821 4.079410 68.77650       6.677866      65.87893       9.401155      71.69532       9.486169      80.12184 5.866787 83.65459 5.669845 -3.532745      8.158819 
1 1 1 18 30 4  o 35.93246 7.714487 14.21154       6.297428      20.14128       9.231127      8.281801       8.565183      42.18988 10.87422 29.67503 10.94553 12.51485       15.42897 
1 1 1 18 30 5  o 62.45408 6.312710 41.58612       7.906322      38.39808       10.45675      44.77415       11.85948      60.15522 8.691472 64.75294 9.157487 -4.597717      12.62542 
1 1 1 18 30 6  o 25.99990 7.695133 2.886233       6.721791      3.333266       9.259464      2.439199       9.748297      26.06415 10.81655 25.93564 10.94818 0.1285019      15.39027 
1 1 1 18 30 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 30 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 30 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 30 10 o 55.71606 5.617614 32.92884       6.259171      33.52394       8.883986      32.33374       8.820225      56.23793 7.898571 55.19419 7.990176 1.043743       11.23523 
1 1 1 18 30 11 o 43.94596 6.919998 21.90533       5.944619      18.60394       8.324308      25.20671       8.494337      40.31324 10.28857 47.57867 9.256932 -7.265434      13.84000 
1 1 1 18 30 12 o 25.48976 7.343552 4.248586       5.899987      3.406945       8.473083      5.089518       8.218040      24.94607 10.34946 26.03345 10.42112 -1.087379      14.68710 
1 1 1 18 30 13 o 46.82657 6.623659 25.00126       6.087018      17.31456       8.331393      32.68797       8.876901      38.51102 10.52156 55.14212 8.049110 -16.63110      13.24732 
1 1 1 18 30 14 o 52.97096 6.083943 31.13646       6.274049      26.56694       8.614774      35.71305       9.124859      48.41977 9.227517 57.52215 7.931605 -9.102375      12.16789 
1 1 1 18 30 15 f 38.16562 7.551926 17.78214       6.133776      12.97175       8.373900      22.59253       8.961915      32.98601 10.90951 43.34524 10.44552 -10.35923      15.10385 
1 1 1 18 30 16 o 50.19729 6.840279 29.43617       6.618357      31.80948       9.472000      27.05577       9.245295      52.49658 9.357757 47.89800 9.979483 4.598579       13.68056 
1 1 1 18 30 17 o 27.62593 7.963444 5.025048       7.424574      10.14503       9.167366      -0.9705789E-01 11.68237      30.18360 11.28553 25.06826 11.23844 5.115337       15.92689 
1 1 1 18 30 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 30 19 f 46.21734 7.448465 28.60020       7.594603      41.70655       9.323226      15.49384       11.98701      60.00595 7.768584 32.42873 12.71093 27.57722       14.89693 
1 1 1 18 30 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 30 21 o 38.38360 7.185914 19.40449       5.664072      15.49384       7.452912      23.30806       8.529759      34.37607 10.15000 42.39113 10.17482 -8.015060      14.37183 
1 1 1 18 30 22 o 31.90725 7.266350 14.29656       5.443744      9.096521       6.974707      19.48951       8.359732      26.58999 9.863224 37.22451 10.67315 -10.63452      14.53270 
1 1 1 18 30 23 o 16.42899 5.531186 -6.150070      5.054803      -12.56085      6.788385      0.2600726      7.488335      13.37486 6.640277 19.48311 8.847756 -6.108247      11.06237 
1 1 1 18 30 24 o 39.95822 6.384367 22.22413       5.275840      13.75813       7.052638      30.68304       7.849646      30.39040 10.01192 49.52604 7.924767 -19.13563      12.76873 
1 1 1 18 30 25 o 18.57909 6.079848 0.6269798      5.298511      -4.600686      6.263422      5.854646       8.551013      14.98664 7.199285 22.17154 9.799415 -7.184899      12.15970 
1 1 1 18 31 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 31 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 31 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 31 3  o 52.28660 7.214478 30.65471       7.382068      33.13429       10.13795      28.18221       10.72596      55.27005 9.171283 49.30314 11.13923 5.966908       14.42896 
1 1 1 18 31 4  o 66.39831 5.539851 46.85700       7.374983      42.37250       9.748297      51.34150       11.07310      63.27638 7.702951 69.52024 7.963941 -6.243862      11.07970 
1 1 1 18 31 5  o 29.75201 7.494611 8.465999       5.873774      12.94341       8.225125      3.988584       8.388069      33.97721 10.79025 25.52681 10.40419 8.450405       14.98922 
1 1 1 18 31 6  o 49.56152 7.294393 27.54460       7.105771      24.23614       10.85348      30.86016       9.167366      45.42175 11.83121 53.70128 8.535520 -8.279530      14.58879 
1 1 1 18 31 7  o 24.06024 7.084928 1.907861       5.858896      6.750837       8.671450      -2.934407      7.877984      27.95881 10.84120 20.16166 9.124314 7.797150       14.16986 
1 1 1 18 31 8  o 43.95467 7.524937 22.59253       6.578683      19.26280       8.607689      25.91516       9.953747      40.71555 10.50414 47.19379 10.77784 -6.478245      15.04987 
1 1 1 18 31 9  o 50.99242 6.599021 29.09612       6.537593      25.14295       9.337394      33.04927       9.153197      46.64119 10.28616 55.34365 8.269419 -8.702461      13.19804 
1 1 1 18 31 10 o 34.66271 7.729406 13.85732       6.064347      11.15812       8.529759      16.54943       8.621859      31.77353 10.99884 37.55189 10.86280 -5.778364      15.45881 
1 1 1 18 31 11 o 36.60070 7.418130 15.64970       5.996336      9.861650       8.487252      21.44484       8.473083      30.28939 10.92244 42.91201 10.04066 -12.62262      14.83626 
1 1 1 18 31 12 o 56.62367 6.463766 37.24331       7.051221      49.12404       10.74721      25.36257       9.124859      66.96406 8.024614 46.28329 10.13542 20.68077       12.92753 
1 1 1 18 31 13 o 21.04718 6.906139 -5.764672      7.049096      -11.66820      9.224042      0.1364478      10.66220      17.72140 8.564595 24.37295 10.83636 -6.651552      13.81228 
1 1 1 18 31 14 o 35.34399 8.696183 15.14670       7.594603      14.98375       9.812057      15.31673       11.59027      35.16072 11.80923 35.52725 12.76857 -0.3665276     17.39237 
1 1 1 18 31 15 o 41.78906 8.227862 24.58328       8.997337      2.432115       11.80281      46.72948       13.57394      25.02626 11.25526 58.55186 12.00458 -33.52560      16.45572 
1 1 1 18 31 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 31 17 o 25.73320 7.435339 6.126691       6.208871      8.933578       8.409323      3.316971       9.139028      27.62897 10.68376 23.83743 10.34381 3.791536       14.87068 
1 1 1 18 31 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 31 19 o 38.98949 6.663617 19.21321       5.883692      29.55661       7.885069      8.876901       8.735210      50.61118 7.789849 27.36780 10.81358 23.24338       13.32723 
1 1 1 18 31 20 o 31.49107 7.491256 13.83606       5.600311      13.80772       7.467082      13.85732       8.352647      31.69963 10.30189 31.28251 10.87873 0.4171257      14.98251 
1 1 1 18 31 21 o 34.31720 7.093125 16.49984       5.325432      20.26172       7.502505      12.73796       7.559181      38.73185 9.697764 29.90254 10.35389 8.829306       14.18625 
1 1 1 18 31 22 o 23.19661 6.733211 5.507504       5.341726      10.40007       7.339560      0.6156446      7.757547      26.79866 10.08249 19.59455 8.926813 7.204111       13.46642 
1 1 1 18 31 23 o 22.81254 6.570251 5.694535       5.118564      10.43549       6.820973      0.9571185      7.630026      26.36028 9.758719 19.26480 8.800010 7.095472       13.14050 
1 1 1 18 32 0  o 22.65794 13.17605 7.722124       9.642029      7.722124       9.642029      7.722124       9.642029      22.65794 13.17605 22.65794 13.17605 0.000000       0.000000 
1 1 1 18 32 1  o 30.05900 7.515811 5.452953       7.000920      19.42575       10.07418      -8.522675      9.727042      40.27729 11.77160 19.84072 9.347680 20.43657       15.03162 
1 1 1 18 32 2  o 30.31498 8.206850 8.891070       6.966206      7.452912       9.755382      10.32923       9.946663      29.06815 11.44586 31.56180 11.76443 -2.493650      16.41370 
1 1 1 18 32 3  o 65.25523 5.860695 45.98560       7.637110      48.21014       10.76847      43.76815       10.83931      66.97397 8.039293 63.53648 8.529991 3.437489       11.72139 
1 1 1 18 32 4  o 25.67883 7.647636 3.059095       6.775633      3.922698       8.395153      2.195492       10.63386      25.21548 10.36468 26.14218 11.24806 -0.9266987     15.29527 
1 1 1 18 32 5  o 29.53886 7.799045 8.310139       6.484459      2.243667       8.338477      14.37449       9.932493      23.88387 10.10596 35.19385 11.88150 -11.30997      15.59809 
1 1 1 18 32 6  o 27.30692 7.822505 5.548594       6.676449      4.023298       9.677451      7.073183       9.202788      26.35159 11.00445 28.26226 11.12063 -1.910667      15.64501 
1 1 1 18 32 7  o 48.35324 6.791468 27.36041       6.415740      37.62588       9.188620      17.09494       8.961915      58.99718 7.787339 37.70931 11.12895 21.28786       13.58294 
1 1 1 18 32 8  o 60.38633 7.122629 43.02428       7.835476      57.11538       10.00334      28.93317       12.05785      73.09248 6.842934 47.68019 12.49406 25.41228       14.24526 
1 1 1 18 32 9  o 36.47131 8.648044 16.75488       7.587519      11.55485       10.10961      21.95492       11.32814      31.79431 11.85855 41.14831 12.59085 -9.354000      17.29609 
1 1 1 18 32 10 o 34.03453 8.480945 12.78755       7.807138      20.46009       10.58427      5.107229       11.48400      40.15318 12.14740 27.91589 11.83834 12.23729       16.96189 
1 1 1 18 32 11 o 30.26023 8.329412 8.118857       7.686701      13.09927       9.847479      3.134191       11.79572      33.36208 11.79144 27.15838 11.76768 6.203703       16.65882 
1 1 1 18 32 12 o 21.98524 7.314795 -4.744502      8.210957      -7.098687      10.20879      -2.387482      12.85840      19.93053 9.463805 24.03995 11.15622 -4.109426      14.62959 
1 1 1 18 32 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 32 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 32 15 o 26.60986 7.132652 4.527007       6.254212      15.37340       8.664365      -6.322224      9.025676      34.22312 11.09554 18.99660 8.965925 15.22652       14.26530 
1 1 1 18 32 16 o 22.87755 11.17711 0.000000       0.000000      ?              ?             -12.87257      16.93908      ?        ?        22.87755 11.17711 ?              ?        
1 1 1 18 32 17 o 28.06802 7.364101 9.868733       5.539385      8.111773       7.474166      11.63278       8.175533      26.31886 10.09622 29.81718 10.72317 -3.498327      14.72820 
1 1 1 18 32 18 o 26.64317 7.091799 9.054014       5.217039      6.217373       6.974707      11.88782       7.757547      23.86308 9.580434 29.42326 10.45896 -5.560179      14.18360 
1 1 1 18 32 19 o 32.55258 7.408366 15.23171       5.513172      16.26605       7.566265      14.19029       8.019674      33.89426 10.27388 31.21090 10.67628 2.683367       14.81673 
1 1 1 18 32 20 o 68.36980 4.658526 54.84125       6.371107      45.68806       8.395153      63.99445       9.585353      62.42232 6.724481 74.31728 6.448939 -11.89496      9.317052 
1 1 1 18 32 21 o 20.70839 6.367566 3.259587       5.073223      6.238626       6.927950      0.2813262      7.410406      22.57792 9.362126 18.83886 8.633319 3.739054       12.73513 
1 1 1 18 32 22 o 31.12222 6.637403 15.18212       5.135567      23.05302       7.226208      7.318307       7.304138      39.65493 9.268573 22.58951 9.503370 17.06542       13.27481 
1 1 1 18 33 0  o 12.81564 9.050968 -7.346645      8.643111      -7.346645      8.643111      -7.346645      8.643111      12.81564 9.050968 12.81564 9.050968 0.000000       0.000000 
1 1 1 18 33 1  o 31.91253 7.918371 11.83823       6.367565      15.09711       9.082352      8.572267       8.926493      35.05356 11.35956 28.77151 11.03462 6.282053       15.83674 
1 1 1 18 33 2  o 78.57874 4.612668 65.91436       7.247461      62.30834       9.989170      69.51329       10.51342      76.42039 6.535671 80.73710 6.510901 -4.316711      9.225336 
1 1 1 18 33 3  o 62.66798 5.603075 43.25098       6.983210      48.53603       9.953747      37.96593       9.797889      66.83678 7.446310 58.49917 8.374382 8.337616       11.20615 
1 1 1 18 33 4  o 23.94964 7.420284 -3.859645      7.530843      -17.75380      9.897071      10.03876       11.36357      16.80362 8.275971 31.09566 12.31872 -14.29204      14.84057 
1 1 1 18 33 5  o 59.46221 9.672332 46.92785       11.61861      57.01619       19.77997      36.84658       12.18537      63.95946 15.58426 54.96496 11.46066 8.994499       19.34466 
1 1 1 18 33 6  f 37.40755 9.330271 17.19412       9.394071      4.837308       11.71779      29.55661       14.68620      28.08561 11.93622 46.72950 14.34373 -18.64388      18.66054 
1 1 1 18 33 7  o 49.59987 10.10324 33.85691       10.67637      30.90266       13.06385      36.81115       16.89658      48.51914 13.13939 50.68059 15.35118 -2.161449      20.20649 
1 1 1 18 33 8  o 34.37079 8.971395 15.30964       9.273635      1.281589       12.76630      29.33699       13.44641      25.20802 11.47545 43.53356 13.79340 -18.32554      17.94279 
1 1 1 18 33 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 33 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 33 11 o 24.09869 7.665233 3.470705       7.757547      0.2570263      9.571183      6.684951       12.20662      21.75114 9.910980 26.44625 11.69597 -4.695105      15.33047 
1 1 1 18 33 12 o 29.03474 7.928278 10.00334       6.545386      7.920490       8.735210      12.09327       9.748297      27.15644 10.78715 30.91305 11.62187 -3.756611      15.85656 
1 1 1 18 33 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 33 14 o 22.33628 6.845293 2.357019       5.761838      -1.509711      7.771716      6.223041       8.508506      19.52299 8.905148 25.14957 10.39858 -5.626575      13.69059 
1 1 1 18 33 15 o 24.44913 7.073981 5.766089       5.618731      8.685618       7.870899      2.847268       8.019674      26.68903 10.33282 22.20924 9.664249 4.479795       14.14796 
1 1 1 18 33 16 o 32.65955 7.343084 15.09711       5.618022      9.649114       7.516674      20.53802       8.352647      27.04127 10.19686 38.27782 10.56918 -11.23656      14.68617 
1 1 1 18 33 17 o 31.49204 7.473834 14.55868       5.567014      12.90091       7.601687      16.22355       8.140111      29.88868 10.37970 33.09541 10.75614 -3.206728      14.94767 
1 1 1 18 33 18 o 17.43625 5.782509 -3.778882      5.253878      1.044966       7.226208      -8.600604      7.630026      19.39035 8.758906 15.48215 7.551902 3.908199       11.56502 
1 1 1 18 33 19 o 22.49242 6.746104 5.902820       5.290718      4.196868       7.374983      7.608772       7.587519      21.18654 9.243337 23.79831 9.828551 -2.611776      13.49221 
1 1 1 18 33 20 o 17.92621 5.860123 -0.2710536     5.053387      2.570263       6.762172      -3.112229      7.509589      19.08733 8.553895 16.76508 8.012181 2.322254       11.72025 
1 1 1 18 34 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 34 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 34 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 34 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 34 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 34 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 34 6  o 35.91513 8.339541 19.77289       7.219123      13.29056       9.861650      26.26231       10.54885      30.11561 11.58528 41.71464 11.99888 -11.59903      16.67908 
1 1 1 18 34 7  o 35.77578 8.120350 16.09602       7.601687      26.19146       10.12378      6.002004       11.33523      44.49761 11.34017 27.05395 11.62587 17.44366       16.24070 
1 1 1 18 34 8  o 30.91945 7.852880 3.448743       8.940661      -14.62953      15.01918      21.52276       9.705790      21.92472 10.67663 39.91418 11.51870 -17.98947      15.70576 
1 1 1 18 34 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 34 10 o 21.24445 6.777527 -0.6286801     6.312305      -4.176323      9.627860      2.918821       8.168448      20.04571 9.406937 22.44319 9.759562 -2.397484      13.55505 
1 1 1 18 34 11 o 20.77474 6.694175 -1.018045      6.172032      -1.285131      9.032760      -0.7509589     8.409323      20.94139 9.569586 20.60809 9.363276 0.3333015      13.38835 
1 1 1 18 34 12 o 33.00724 7.475033 14.19737       6.670782      1.579139       8.954830      26.82199       9.889987      22.11602 9.879024 43.89847 11.22093 -21.78245      14.95007 
1 1 1 18 34 13 o 28.29466 7.758639 11.24313       6.310889      7.955913       7.757547      14.53743       9.960832      25.53979 10.15909 31.04953 11.72940 -5.509743      15.51728 
1 1 1 18 34 14 f 20.10965 6.546910 -0.5618023     6.063639      -5.214913      7.537927      4.091309       9.500339      16.94780 8.082235 23.27151 10.30173 -6.323702      13.09382 
1 1 1 18 34 15 o 23.66923 7.079679 5.716498       6.033884      8.706873       7.651280      2.726831       9.330310      25.39264 10.09282 21.94582 9.930881 3.446814       14.15936 
1 1 1 18 34 16 o 24.90425 7.337717 8.565183       6.115356      7.906322       7.707955      9.224042       9.500339      24.34483 9.956417 25.46368 10.78138 -1.118847      14.67543 
1 1 1 18 34 17 o 25.86378 7.285655 10.56302       5.946744      2.884107       7.127024      18.24263       9.521592      19.98427 8.874896 31.74328 11.55679 -11.75901      14.57131 
1 1 1 18 35 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 35 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 35 2  o 30.98480 13.89845 0.000000       0.000000      ?              ?             13.13470       17.88841      ?        ?        30.98480 13.89845 ?              ?        
1 1 1 18 35 3  o 30.64011 8.413871 12.91508       7.502505      10.52051       11.05893      15.30964       10.15211      28.78575 11.87478 32.49448 11.92319 -3.708735      16.82774 
1 1 1 18 35 4  o 38.71066 8.181150 21.28189       6.864190      21.22522       10.39299      21.33148       8.969000      37.97666 12.13616 39.44467 10.97445 -1.468006      16.36230 
1 1 1 18 35 5  o 27.39917 8.101825 8.005506       7.679617      7.410406       12.60336      8.607689       8.777717      27.67579 12.07890 27.12254 10.80086 0.5532513      16.20365 
1 1 1 18 35 6  o 24.73954 7.338229 4.151527       6.529800      -0.9160281     9.897071      9.216957       8.515590      21.89096 10.00911 27.58812 10.73388 -5.697163      14.67646 
1 1 1 18 35 7  o 24.09804 6.760237 1.815762       5.903528      -10.60552      8.147196      14.23280       8.551013      16.06137 7.828897 32.13471 11.02323 -16.07334      13.52047 
1 1 1 18 35 8  o 28.27351 7.611953 10.61969       5.972248      10.35048       8.416408      10.88890       8.473083      28.02509 10.72445 28.52193 10.80525 -0.4968338     15.22391 
1 1 1 18 35 9  o 24.09154 6.677461 3.158986       5.676116      -8.048012      7.955913      14.36740       8.097604      16.45747 7.953809 31.72561 10.72804 -15.26814      13.35492 
1 1 1 18 35 10 o 26.77905 7.386987 9.436578       5.761130      11.21479       8.125941      7.658363       8.168448      28.33412 10.61900 25.22398 10.27166 3.110134       14.77397 
1 1 1 18 35 11 o 24.53997 7.174335 7.176617       5.749794      7.537927       7.906322      6.811056       8.352647      24.75569 10.09729 24.32425 10.19456 0.4314365      14.34867 
1 1 1 18 35 12 o 29.81426 7.351971 13.02134       5.859605      19.45408       8.274716      6.594978       8.295970      35.87793 10.71792 23.75058 10.06639 12.12735       14.70394 
1 1 1 18 35 13 o 21.52847 6.506315 -1.581973      5.980042      14.54451       8.976085      -17.71129      7.906322      29.75307 11.15872 13.30386 6.694145 16.44920       13.01263 
1 1 1 18 35 14 o 22.19008 6.876833 5.309846       5.829850      6.364731       8.600604      4.255670       7.877984      22.99063 10.00628 21.38953 9.435982 1.601105       13.75367 
1 1 1 18 35 15 o 17.60455 5.896825 -3.711579      5.763256      -10.21588      8.317224      2.792717       7.984251      15.20498 7.504315 20.00412 9.098100 -4.799135      11.79365 
1 1 1 18 36 0  o 19.17473 11.68279 6.160697       8.246379      6.160697       8.246379      6.160697       8.246379      19.17473 11.68279 19.17473 11.68279 0.000000       0.000000 
1 1 1 18 36 1  o 19.85982 6.247128 -3.354519      5.628649      -14.67204      7.743378      7.962997       8.168448      14.15439 7.036133 25.56525 10.32469 -11.41086      12.49426 
1 1 1 18 36 2  o 25.65521 7.148855 7.459997       5.752628      13.11344       8.253463      1.798051       8.019674      30.21234 10.78320 21.09809 9.388673 9.114248       14.29771 
1 1 1 18 36 3  o 23.86219 6.904195 5.175241       5.618022      -1.429656      7.594603      11.78155       8.274716      18.86232 8.684183 28.86206 10.73576 -9.999739      13.80839 
1 1 1 18 36 4  o 24.10728 7.165891 3.411904       6.576558      15.11128       9.932493      -8.288886      8.621859      31.19863 11.73077 17.01593 8.233402 14.18270       14.33178 
1 1 1 18 36 5  o 23.50017 6.981731 4.722539       5.904946      8.961915       7.672533      0.4864939      8.983169      26.05625 10.17825 20.94409 9.559366 5.112156       13.96346 
1 1 1 18 36 6  o 38.44879 8.111064 22.97509       6.971874      23.11678       8.274716      22.84048       11.22188      40.55862 10.20247 36.33897 12.61218 4.219650       16.22213 
1 1 1 18 36 7  o 22.40476 7.057511 2.879148       6.610563      9.472000       9.769550      -3.711579      8.905238      26.12467 10.99073 18.68484 8.856509 7.439829       14.11502 
1 1 1 18 36 8  o 29.27708 7.730062 12.77339       6.719665      4.927282       9.620775      20.62303       9.386987      23.07814 10.27614 35.47602 11.55061 -12.39789      15.46012 
1 1 1 18 36 9  o 19.80521 6.369535 -4.463954      6.407238      -16.15270      9.882903      7.226208       8.154280      15.72589 7.835473 23.88453 10.04436 -8.158637      12.73907 
1 1 1 18 36 10 o 25.96762 7.479895 10.32214       6.174866      10.24421       9.443663      10.39299       7.955913      25.80728 10.82911 26.12795 10.32113 -0.3206730     14.95979 
1 1 1 18 36 11 f 38.08028 7.938259 24.64704       6.541135      29.83290       9.897071      19.45408       8.551013      42.32637 11.42492 33.83420 11.02429 8.492176       15.87652 
1 1 1 18 36 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 18 37 0  o 27.14553 12.93673 14.12653       7.970083      14.12653       7.970083      14.12653       7.970083      27.14553 12.93673 27.14553 12.93673 0.000000       0.000000 
1 1 1 18 37 1  o 24.89542 6.565524 4.968372       5.632192      18.42683       8.133026      -8.487252      7.792970      34.22565 10.70847 15.56519 7.599542 18.66046       13.13105 
1 1 1 18 37 2  o 25.78899 7.189897 9.054014       5.985001      0.6417156      7.892153      17.47042       9.004422      19.46067 8.914618 32.11731 11.28309 -12.65663      14.37979 
1 1 1 18 37 3  o 19.13925 6.103075 -1.402026      5.373607      7.169532       7.637110      -9.967916      7.566265      23.46939 9.786707 14.80911 7.294550 8.660275       12.20615 
1 1 1 18 37 4  o 23.28145 7.039978 6.782009       5.883692      5.392735       8.706873      8.168448       7.920490      22.41632 9.900439 24.14658 10.01132 -1.730259      14.07996 
1 1 1 18 37 5  o 22.16345 6.718619 3.917738       5.842602      -3.452286      8.522675      11.28564       7.998421      17.84586 8.530329 26.48104 10.38233 -8.635178      13.43724 
1 1 1 18 37 6  o 17.17491 5.772045 -2.871355      5.387776      -5.031425      7.474166      -0.7112856     7.764632      16.13030 7.776818 18.21952 8.531536 -2.089222      11.54409 
1 1 1 18 37 7  o 20.48572 6.376107 2.884107       5.416114      -3.868855      7.573349      9.634944       7.743378      16.51740 7.930198 24.45403 9.986537 -7.936628      12.75221 
1 1 1 19 0  1  o 71.70222 4.281289 51.97202       6.094102      51.97202       6.094102      51.97202       6.094102      71.70222 4.281289 71.70222 4.281289 0.000000       0.000000 
1 1 1 19 0  2  o 204.4598 3.250269 418.4116       13.28347      418.4116       13.28347      418.4116       13.28347      204.4598 3.250269 204.4598 3.250269 0.000000       0.000000 
1 1 1 19 0  3  o 886.5462 9.248013 7870.899       163.9357      7870.899       163.9357      7870.899       163.9357      886.5462 9.248013 886.5462 9.248013 0.000000       0.000000 
1 1 1 19 0  4  o 326.9635 4.015282 1069.762       26.24814      1069.762       26.24814      1069.762       26.24814      326.9635 4.015282 326.9635 4.015282 0.000000       0.000000 
1 1 1 19 0  5  o 318.7379 3.958848 1016.628       25.22797      1016.628       25.22797      1016.628       25.22797      318.7379 3.958848 318.7379 3.958848 0.000000       0.000000 
1 1 1 19 0  6  o 265.9623 3.600178 707.8850       19.14237      707.8850       19.14237      707.8850       19.14237      265.9623 3.600178 265.9623 3.600178 0.000000       0.000000 
1 1 1 19 0  7  o 52.64850 5.851067 28.74897       6.028925      28.74897       6.028925      28.74897       6.028925      52.64850 5.851067 52.64850 5.851067 0.000000       0.000000 
1 1 1 19 0  8  o 412.6115 4.706798 1703.827       38.83024      1703.827       38.83024      1703.827       38.83024      412.6115 4.706798 412.6115 4.706798 0.000000       0.000000 
1 1 1 19 0  9  o 83.85400 3.802195 70.76725       6.348436      70.76725       6.348436      70.76725       6.348436      83.85400 3.802195 83.85400 3.802195 0.000000       0.000000 
1 1 1 19 0  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 0  11 o 74.06158 3.891563 55.32300       5.730666      55.32300       5.730666      55.32300       5.730666      74.06158 3.891563 74.06158 3.891563 0.000000       0.000000 
1 1 1 19 0  12 o 129.3997 3.064291 167.7614       7.920490      167.7614       7.920490      167.7614       7.920490      129.3997 3.064291 129.3997 3.064291 0.000000       0.000000 
1 1 1 19 0  13 o 81.09203 3.698462 66.19065       5.971540      66.19065       5.971540      66.19065       5.971540      81.09203 3.698462 81.09203 3.698462 0.000000       0.000000 
1 1 1 19 0  14 o 531.5866 5.764166 2829.556       61.26691      2829.556       61.26691      2829.556       61.26691      531.5866 5.764166 531.5866 5.764166 0.000000       0.000000 
1 1 1 19 0  15 o 15.78174 9.202072 3.086016       4.723248      3.086016       4.723248      3.086016       4.723248      15.78174 9.202072 15.78174 9.202072 0.000000       0.000000 
1 1 1 19 0  16 o 276.9699 3.547786 767.9618       19.64537      767.9618       19.64537      767.9618       19.64537      276.9699 3.547786 276.9699 3.547786 0.000000       0.000000 
1 1 1 19 0  17 o 223.6497 3.681497 500.9463       16.45733      500.9463       16.45733      500.9463       16.45733      223.6497 3.681497 223.6497 3.681497 0.000000       0.000000 
1 1 1 19 0  18 o 131.4733 3.026547 173.2165       7.948828      173.2165       7.948828      173.2165       7.948828      131.4733 3.026547 131.4733 3.026547 0.000000       0.000000 
1 1 1 19 0  19 o 74.77299 4.199951 56.49903       6.239335      56.49903       6.239335      56.49903       6.239335      74.77299 4.199951 74.77299 4.199951 0.000000       0.000000 
1 1 1 19 0  20 o 63.59783 4.289410 41.04770       5.405487      41.04770       5.405487      41.04770       5.405487      63.59783 4.289410 63.59783 4.289410 0.000000       0.000000 
1 1 1 19 0  21 o 98.84746 3.283683 98.12057       6.475958      98.12057       6.475958      98.12057       6.475958      98.84746 3.283683 98.84746 3.283683 0.000000       0.000000 
1 1 1 19 0  22 o 33.04789 9.934891 13.58811       5.712955      13.58811       5.712955      13.58811       5.712955      33.04789 9.934891 33.04789 9.934891 0.000000       0.000000 
1 1 1 19 0  23 o 41.78141 5.986784 18.14345       4.845102      18.14345       4.845102      18.14345       4.845102      41.78141 5.986784 41.78141 5.986784 0.000000       0.000000 
1 1 1 19 0  24 o 113.8174 3.142424 130.0009       7.141194      130.0009       7.141194      130.0009       7.141194      113.8174 3.142424 113.8174 3.142424 0.000000       0.000000 
1 1 1 19 0  25 f 10.89529 7.334314 -1.502626      4.415780      -1.502626      4.415780      -1.502626      4.415780      10.89529 7.334314 10.89529 7.334314 0.000000       0.000000 
1 1 1 19 0  26 o 115.9936 3.107636 135.0309       7.197870      135.0309       7.197870      135.0309       7.197870      115.9936 3.107636 115.9936 3.107636 0.000000       0.000000 
1 1 1 19 0  27 o 70.80283 4.044490 50.76057       5.688159      50.76057       5.688159      50.76057       5.688159      70.80283 4.044490 70.80283 4.044490 0.000000       0.000000 
1 1 1 19 0  28 o 138.5756 3.147728 192.6989       8.713958      192.6989       8.713958      192.6989       8.713958      138.5756 3.147728 138.5756 3.147728 0.000000       0.000000 
1 1 1 19 0  29 o 11.59463 7.816789 -1.756252      5.049844      -1.756252      5.049844      -1.756252      5.049844      11.59463 7.816789 11.59463 7.816789 0.000000       0.000000 
1 1 1 19 0  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 0  31 o 12.69086 8.297805 -0.1347475     5.010171      -0.1347475     5.010171      -0.1347475     5.010171      12.69086 8.297805 12.69086 8.297805 0.000000       0.000000 
1 1 1 19 0  32 o 13.45530 8.632926 0.7148278      5.082433      0.7148278      5.082433      0.7148278      5.082433      13.45530 8.632926 13.45530 8.632926 0.000000       0.000000 
1 1 1 19 0  33 o 78.45864 4.161641 62.47836       6.491544      62.47836       6.491544      62.47836       6.491544      78.45864 4.161641 78.45864 4.161641 0.000000       0.000000 
1 1 1 19 0  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 0  35 o 50.36875 5.640124 26.75114       5.558513      26.75114       5.558513      26.75114       5.558513      50.36875 5.640124 50.36875 5.640124 0.000000       0.000000 
1 1 1 19 0  36 o 101.3632 3.753963 104.2133       7.587519      104.2133       7.587519      104.2133       7.587519      101.3632 3.753963 101.3632 3.753963 0.000000       0.000000 
1 1 1 19 0  37 o 21.41597 10.69777 7.410406       5.533717      7.410406       5.533717      7.410406       5.533717      21.41597 10.69777 21.41597 10.69777 0.000000       0.000000 
1 1 1 19 0  38 o 119.1581 3.538493 144.4533       8.416408      144.4533       8.416408      144.4533       8.416408      119.1581 3.538493 119.1581 3.538493 0.000000       0.000000 
1 1 1 19 0  39 o 17.11502 9.555111 4.757254       4.813930      4.757254       4.813930      4.757254       4.813930      17.11502 9.555111 17.11502 9.555111 0.000000       0.000000 
1 1 1 19 0  40 o 9.348762 6.569273 -3.341059      4.432783      -3.341059      4.432783      -3.341059      4.432783      9.348762 6.569273 9.348762 6.569273 0.000000       0.000000 
1 1 1 19 0  41 o 65.34929 4.261823 44.89459       5.521673      44.89459       5.521673      44.89459       5.521673      65.34929 4.261823 65.34929 4.261823 0.000000       0.000000 
1 1 1 19 1  0  o 119.3903 3.337658 142.8947       7.955913      142.8947       7.955913      142.8947       7.955913      119.3903 3.337658 119.3903 3.337658 0.000000       0.000000 
1 1 1 19 1  1  o 237.6991 2.397680 565.2737       11.39899      580.1511       16.41483      550.3962       15.82681      240.8273 3.408009 234.5709 3.373568 6.256393       4.795361 
1 1 1 19 1  2  o 244.1275 2.426234 596.4456       11.85240      620.6746       17.20121      572.1456       16.30856      249.0952 3.452739 239.1598 3.409552 9.935318       4.852468 
1 1 1 19 1  3  o 312.6071 2.756659 977.6635       17.23663      991.1240       24.59036      964.2029       24.15821      314.7589 3.906221 310.4552 3.890772 4.303741       5.513317 
1 1 1 19 1  4  o 265.9354 2.546344 707.5308       13.54560      708.4518       19.12820      706.4681       19.17779      266.1220 3.593878 265.7488 3.608255 0.3731995      5.092687 
1 1 1 19 1  5  o 283.0696 2.627543 801.9674       14.87749      809.7604       21.23938      793.4660       20.83557      284.5077 3.732656 281.6316 3.699082 2.876068       5.255085 
1 1 1 19 1  6  o 182.4250 2.304647 332.9015       8.409323      335.7353       11.93033      330.0677       11.85240      183.2015 3.256068 181.6485 3.262455 1.553040       4.609293 
1 1 1 19 1  7  o 302.5268 2.701578 916.0281       16.34398      911.7775       23.01051      919.5704       23.22305      301.8835 3.811158 303.1701 3.830036 -1.286621      5.403157 
1 1 1 19 1  8  o 53.54517 3.802453 28.72064       4.068638      27.35332       5.750503      30.08086       5.757588      52.27173 5.500586 54.81861 5.251490 -2.546883      7.604906 
1 1 1 19 1  9  o 226.5854 2.332468 513.6276       10.57010      512.5649       14.92708      514.6902       14.96959      226.3511 3.297329 226.8198 3.299885 -0.4687042     4.664935 
1 1 1 19 1  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 1  11 o 209.4848 2.401710 439.1693       10.04585      452.3464       13.43225      425.9921       14.93416      212.6358 3.158510 206.3339 3.618932 6.301941       4.803421 
1 1 1 19 1  12 o 380.7682 3.098521 1451.618       23.61270      1503.335       34.39534      1399.901       32.35499      387.5488 4.437549 373.9876 4.325678 13.56119       6.197042 
1 1 1 19 1  13 o 67.83415 2.839046 46.04937       3.852561      46.56654       5.560638      45.53928       5.333225      68.21162 4.076020 67.45669 3.953074 0.7549286      5.678092 
1 1 1 19 1  14 o 267.6370 2.456165 716.9532       13.14886      728.2885       18.79523      705.4055       18.39141      269.7724 3.483534 265.5015 3.463522 4.270874       4.912331 
1 1 1 19 1  15 o 256.1380 2.595166 657.0181       13.26222      682.8766       17.90258      631.1597       19.57452      261.1979 3.427014 251.0782 3.898093 10.11971       5.190333 
1 1 1 19 1  16 o 255.3897 2.491802 653.0508       12.72379      652.9091       15.75597      653.1216       19.99251      255.4044 3.084513 255.3749 3.914345 0.2949524E-01  4.983604 
1 1 1 19 1  17 o 84.34607 2.589129 71.27025       4.381774      68.57105       5.551428      73.96236       6.780592      82.75967 3.353945 85.93247 3.945302 -3.172798      5.178258 
1 1 1 19 1  18 o 143.6224 2.166474 206.5137       6.207455      210.5519       7.679617      202.4755       9.755382      145.0462 2.647300 142.1987 3.430194 2.847534       4.332947 
1 1 1 19 1  19 o 155.9004 2.429665 243.4240       7.594603      240.3068       8.175533      246.5412       12.80172      154.9500 2.638120 156.8508 4.080859 -1.900833      4.859330 
1 1 1 19 1  20 o 291.4020 2.802526 851.5590       16.29439      809.0520       23.64104      894.0662       22.43667      284.0916 4.160811 298.7123 3.755565 -14.62070      5.605053 
1 1 1 19 1  21 o 137.1748 2.149492 188.8733       5.897861      206.3720       8.628942      171.3745       8.040927      143.5454 3.005650 130.8042 3.073651 12.74124       4.298984 
1 1 1 19 1  22 o 31.05831 5.247729 10.19462       3.258878      12.90091       4.681449      7.495420       4.535509      35.15133 6.905069 26.96528 7.904092 8.186047       10.49546 
1 1 1 19 1  23 o 78.40426 2.584864 61.74158       4.046677      57.46961       5.707996      66.00645       5.737751      75.68283 3.770998 81.12569 3.536335 -5.442856      5.169728 
1 1 1 19 1  24 o 175.4779 2.171756 308.6724       7.622942      312.2147       10.86057      305.1302       10.69762      176.4840 3.076926 174.4717 3.065718 2.012283       4.343513 
1 1 1 19 1  25 o 37.62446 4.523124 14.72871       3.282965      11.61861       4.592185      17.83882       4.692076      33.20803 7.119977 42.04089 5.580372 -8.832851      9.046248 
1 1 1 19 1  26 o 118.5754 2.201114 140.9819       5.219872      141.9029       7.467082      140.1318       7.297054      118.9447 3.138887 118.2060 3.086584 0.7387695      4.402228 
1 1 1 19 1  27 o 157.2248 2.176106 248.0290       6.844352      243.6366       9.535762      252.4214       9.819141      155.8355 3.059560 158.6140 3.095294 -2.778564      4.352212 
1 1 1 19 1  28 o 67.12918 2.985801 45.38342       4.008420      46.43193       5.725707      44.33491       5.612355      67.90547 4.215940 66.35290 4.229171 1.552574       5.971602 
1 1 1 19 1  29 o 95.10222 2.591754 90.96520       4.928699      93.79901       7.023591      88.13139       6.917324      96.58810 3.635847 93.61634 3.694507 2.971756       5.183509 
1 1 1 19 1  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 1  31 o 84.27875 2.752444 71.62447       4.636108      69.31492       6.614106      73.96236       6.498628      82.89399 3.989496 85.66351 3.793113 -2.769524      5.504888 
1 1 1 19 1  32 o 156.1146 2.275916 245.3369       7.105771      245.1243       10.08835      245.6202       10.01042      156.0311 3.232802 156.1982 3.204399 -0.1670532     4.551833 
1 1 1 19 1  33 o 49.68684 4.003435 25.29173       3.978665      25.38383       5.734918      25.20671       5.516006      49.75218 5.763483 49.62151 5.558079 0.1306725      8.006870 
1 1 1 19 1  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 1  35 o 56.95998 3.532427 33.49560       4.004169      37.70380       5.724290      29.28031       5.601728      60.63975 4.719916 53.28020 5.256858 7.359554       7.064854 
1 1 1 19 1  36 o 64.31200 3.330837 42.77632       4.273381      39.15613       6.017590      46.39651       6.070015      61.50647 4.891835 67.11754 4.521929 -5.611065      6.661674 
1 1 1 19 1  37 o 40.32097 5.237582 18.20721       4.086349      14.07694       5.732083      22.33748       5.825599      34.92038 8.315214 45.72156 6.370736 -10.80118      10.47516 
1 1 1 19 1  38 o 31.18707 5.956371 11.72488       3.858937      13.90691       5.372190      9.535762       5.540801      34.30439 7.974481 28.06976 8.849918 6.234627       11.91274 
1 1 1 19 1  39 o 57.58900 3.417809 35.14629       3.936867      33.90651       5.475624      36.37900       5.658404      56.57173 4.839541 58.60627 4.827474 -2.034538      6.835617 
1 1 1 19 1  40 o 19.81848 5.331958 3.324764       3.219913      7.204955       4.570222      -0.5515297     4.536926      24.10142 8.059537 15.53555 6.983050 8.565872       10.66392 
1 1 1 19 1  41 o 14.88316 4.797545 -0.8359731     3.166779      -0.3695285     4.436325      -1.302843      4.519922      15.15708 6.853910 14.60925 6.714885 0.5478354      9.595090 
1 1 1 19 2  0  f 105.1472 3.498632 110.9436       7.339560      110.9436       7.339560      110.9436       7.339560      105.1472 3.498632 105.1472 3.498632 0.000000       0.000000 
1 1 1 19 2  1  o 301.9543 2.698794 911.7775       16.29439      921.6958       23.24430      902.5676       22.85465      303.5371 3.828907 300.3716 3.804397 3.165497       5.397589 
1 1 1 19 2  2  f 427.6843 3.431031 1829.931       29.34407      1815.053       41.17522      1845.517       41.83408      425.9057 4.833842 429.4630 4.870511 -3.557312      6.862063 
1 1 1 19 2  3  o 484.2579 3.791118 2347.101       36.72614      2296.092       50.86684      2398.109       52.99219      478.9987 5.309706 489.5171 5.412701 -10.51840      7.582236 
1 1 1 19 2  4  o 301.8965 2.713865 911.7775       16.38649      911.7775       23.13803      911.7775       23.20888      301.8967 3.832112 301.8963 3.843850 0.3662109E-03  5.427731 
1 1 1 19 2  5  o 343.2091 2.937824 1178.864       20.16962      1174.613       28.43017      1182.406       28.60728      342.6420 4.148670 343.7762 4.160742 -1.134247      5.875648 
1 1 1 19 2  6  o 448.1697 3.565064 2009.878       31.95826      2036.090       45.68097      1984.373       44.70331      451.0508 5.063839 445.2887 5.019588 5.762115       7.130128 
1 1 1 19 2  7  f 262.2410 2.706269 688.2609       14.23988      716.2448       21.98326      660.4188       18.10803      267.5504 4.108247 256.9317 3.523900 10.61871       5.412537 
1 1 1 19 2  8  o 153.9874 2.251291 237.1897       6.931493      241.0153       9.847479      233.4349       9.762465      155.2179 3.172147 152.7570 3.195424 2.460892       4.502583 
1 1 1 19 2  9  o 409.1064 3.303079 1674.780       27.02743      1683.990       38.42642      1666.279       38.01552      410.1868 4.684015 408.0259 4.658469 2.160828       6.606159 
1 1 1 19 2  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 2  11 o 366.9216 3.019973 1347.475       22.16037      1335.432       31.09395      1359.519       31.58987      365.2828 4.256147 368.5603 4.285576 -3.277496      6.039946 
1 1 1 19 2  12 o 593.3182 4.491760 3526.673       53.31100      3552.177       75.87518      3501.877       74.88335      595.4302 6.371459 591.2062 6.333099 4.223999       8.983520 
1 1 1 19 2  13 o 263.8894 2.636725 696.8332       13.90691      700.8005       18.20012      692.9367       21.04102      264.6477 3.438558 263.1311 3.998200 1.516571       5.273451 
1 1 1 19 2  14 o 234.5512 2.386963 550.5379       11.18645      556.4889       13.82898      544.5869       17.57669      235.8388 2.931871 233.2636 3.767559 2.575180       4.773926 
1 1 1 19 2  15 f 143.9110 2.193095 207.2930       6.294595      211.9688       7.778800      202.6172       9.897071      145.5488 2.672230 142.2731 3.478195 3.275757       4.386189 
1 1 1 19 2  16 o 364.8953 3.480061 1334.723       25.40508      1309.927       35.30924      1359.519       36.52777      361.5122 4.883547 368.2785 4.959260 -6.766296      6.960122 
1 1 1 19 2  17 o 149.9055 2.283796 225.0751       6.871982      214.9443       8.763549      235.2060       10.58427      146.5417 2.990122 153.2693 3.452835 -6.727600      4.567593 
1 1 1 19 2  18 o 97.23749 2.381628 94.64915       4.618397      96.63282       5.712247      92.73634       7.261631      98.25417 2.906873 96.22080 3.773420 2.033371       4.763256 
1 1 1 19 2  19 o 108.3612 2.622879 117.7447       5.620856      123.9791       6.212414      111.4395       9.365732      111.2904 2.791082 105.4319 4.441603 5.858536       5.245758 
1 1 1 19 2  20 o 125.2800 2.341034 157.2054       5.857479      159.6142       7.509589      154.7967       8.990252      126.2587 2.973889 124.3012 3.616318 1.957520       4.682069 
1 1 1 19 2  21 o 87.14250 2.514581 76.08772       4.364771      78.42561       5.396277      73.82067       6.862772      88.48618 3.049220 85.79881 3.999340 2.687370       5.029161 
1 1 1 19 2  22 o 212.8118 2.267471 453.9051       9.649114      448.0249       13.57394      459.7852       13.72271      211.4328 3.209988 214.1908 3.203385 -2.757965      4.534942 
1 1 1 19 2  23 f 157.6423 2.308754 249.1625       7.289969      243.7783       9.436578      254.5467       11.11561      155.9667 3.025190 159.3180 3.488497 -3.351303      4.617509 
1 1 1 19 2  24 o 105.0544 2.410674 111.0852       5.030716      98.47480       7.240376      123.6248       6.984626      99.06377 3.654402 111.0450 3.144954 -11.98119      4.821348 
1 1 1 19 2  25 o 40.36541 4.380767 16.83282       3.410487      19.68787       4.814638      13.97775       4.830933      44.17522 5.449478 36.55560 6.860588 7.619617       8.761534 
1 1 1 19 2  26 o 69.64019 2.858553 49.13822       3.951744      57.94427       5.739168      40.33216       5.434533      75.95325 3.778092 63.32712 4.290842 12.62613       5.717106 
1 1 1 19 2  27 o 67.06227 2.935755 45.30549       3.930490      48.76982       5.589684      41.84116       5.527341      69.64297 4.013100 64.48158 4.285985 5.161400       5.871511 
1 1 1 19 2  28 o 90.35429 2.538832 82.25125       4.578724      74.88335       6.405112      89.54830       6.543969      86.30156 3.710891 94.40702 3.465828 -8.105461      5.077664 
1 1 1 19 2  29 o 106.7508 2.509759 114.5566       5.360146      114.9109       7.722124      114.2024       7.431659      106.9059 3.611645 106.5956 3.485912 0.3103180      5.019518 
1 1 1 19 2  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 2  31 o 84.17404 2.747089 71.41194       4.623356      70.00212       6.577975      72.89968       6.498628      83.30920 3.947928 85.03888 3.820975 -1.729683      5.494177 
1 1 1 19 2  32 o 100.7806 2.492585 102.4421       5.023631      101.0961       7.068932      103.7173       7.141194      100.1346 3.529715 101.4267 3.520373 -1.292053      4.985169 
1 1 1 19 2  33 o 100.6389 2.513350 102.3004       5.054096      99.11240       7.219123      105.4885       7.078850      99.04528 3.644355 102.2324 3.462135 -3.187157      5.026699 
1 1 1 19 2  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 2  35 o 26.39413 6.037683 7.459997       3.664821      8.713958       5.212080      6.206746       5.153986      28.11245 8.528204 24.67582 8.548931 3.436634       12.07537 
1 1 1 19 2  36 o 19.23889 5.232158 -0.5545760     3.571306      -8.508506      5.030716      7.403321       5.069681      12.53965 6.119384 25.93813 8.488523 -13.39849      10.46432 
1 1 1 19 2  37 o 60.90178 3.657279 39.00027       4.442701      35.81224       6.274049      42.19538       6.292469      58.28596 5.382128 63.51760 4.953327 -5.231647      7.314557 
1 1 1 19 2  38 f 40.19554 4.976458 18.33473       3.856103      14.08402       5.336059      22.58544       5.569139      34.69325 7.869595 45.69783 6.093440 -11.00457      9.952916 
1 1 1 19 2  39 o 16.73751 5.064629 -1.359519      3.414737      4.146568       4.767172      -6.865606      4.891151      20.76905 8.041368 12.70597 6.159404 8.063086       10.12926 
1 1 1 19 2  40 o 20.09159 5.663697 3.493376       3.633649      -0.4969081     4.708370      7.481250       5.535842      15.81162 7.110086 24.37156 8.817966 -8.559931      11.32739 
1 1 1 19 2  41 o 56.07243 3.689203 35.23131       4.099102      38.15722       5.499711      32.30540       6.079224      59.01124 4.659884 53.13363 5.720694 5.877613       7.378405 
1 1 1 19 3  0  o 736.7810 7.771264 5434.534       114.4858      5434.534       114.4858      5434.534       114.4858      736.7810 7.771264 736.7810 7.771264 0.000000       0.000000 
1 1 1 19 3  1  o 55.11252 3.979258 30.45634       4.381066      27.81382       6.073557      33.09887       6.315848      52.71602 5.760637 57.50902 5.491179 -4.793003      7.958517 
1 1 1 19 3  2  o 546.5812 4.205382 2990.375       45.97144      2958.495       64.39118      3022.255       65.63806      543.6697 5.921903 549.4926 5.972607 -5.822937      8.410765 
1 1 1 19 3  3  o 114.7229 2.527557 131.8429       5.797261      121.9954       7.998421      141.6904       8.395153      110.4321 3.621422 119.0138 3.526965 -8.581787      5.055114 
1 1 1 19 3  4  o 286.4241 2.643548 821.0956       15.13961      810.4688       21.21105      831.0139       21.62195      284.6319 3.726049 288.2162 3.750994 -3.584351      5.287097 
1 1 1 19 3  5  o 116.8223 2.511090 136.5895       5.866689      142.4697       8.423491      130.7094       8.168448      119.3384 3.529247 114.3063 3.573052 5.032059       5.022180 
1 1 1 19 3  6  o 283.3732 2.613689 803.3843       14.81373      811.8857       21.10478      794.8829       20.79306      284.8723 3.704253 281.8741 3.688359 2.998199       5.227378 
1 1 1 19 3  7  o 166.4925 2.392388 277.2880       7.970083      281.1845       12.00826      273.4624       10.49217      167.6475 3.581400 165.3375 3.172955 2.309982       4.784775 
1 1 1 19 3  8  o 214.6786 2.307252 461.0605       9.904156      464.2484       14.04151      457.8724       13.97775      215.4210 3.259087 213.9363 3.266802 1.484634       4.614504 
1 1 1 19 3  9  f 239.8776 2.392215 575.6879       11.47692      579.9386       16.29439      571.4372       16.16687      240.7632 3.383904 238.9921 3.382303 1.771164       4.784431 
1 1 1 19 3  10 o 75.53169 2.810223 57.16497       4.238667      61.40152       6.030342      52.93552       5.957372      78.33350 3.849146 72.72987 4.095546 5.603630       5.620447 
1 1 1 19 3  11 f 168.9373 2.225285 285.5769       7.481250      295.3535       9.273635      275.8711       11.75322      171.8294 2.698501 166.0452 3.539161 5.784149       4.450570 
1 1 1 19 3  12 o 287.6469 2.671917 828.1802       15.43716      801.9674       18.32056      854.3929       24.85249      283.1197 3.235480 292.1742 4.253026 -9.054443      5.343834 
1 1 1 19 3  13 o 241.0646 2.420323 581.6389       11.62569      601.2630       14.65787      562.0148       18.04427      245.1498 2.989574 236.9794 3.807139 8.170425       4.840646 
1 1 1 19 3  14 o 158.3042 2.180866 250.7211       6.902445      251.6421       8.501422      249.8709       10.87473      158.5956 2.680220 158.0128 3.441093 0.5828094      4.361732 
1 1 1 19 3  15 f 285.6776 2.640464 816.8449       15.04752      835.2646       18.84482      799.1337       23.46392      288.8765 3.261744 282.4787 4.153220 6.397766       5.280929 
1 1 1 19 3  16 o 166.7370 2.490767 278.3507       8.303054      278.7049       11.85948      277.9965       11.63278      166.8412 3.554122 166.6327 3.490544 0.2085266      4.981534 
1 1 1 19 3  17 o 170.7686 2.303393 292.0238       7.877984      285.0101       10.21588      298.9666       12.00117      168.7407 3.027092 172.7964 3.472634 -4.055679      4.606785 
1 1 1 19 3  18 o 245.8554 2.827179 605.6554       13.94233      596.7997       14.72163      614.4402       23.68354      244.1645 3.014695 247.5464 4.783658 -3.381897      5.654358 
1 1 1 19 3  19 o 335.0864 2.947918 1125.021       19.76581      1119.354       24.04485      1131.397       31.38441      334.2865 3.596444 335.8863 4.671881 -1.599792      5.895836 
1 1 1 19 3  20 o 292.7625 2.708952 859.3521       15.82681      873.5211       19.68079      844.4745       24.79581      295.3140 3.332181 290.2111 4.272031 5.102936       5.417903 
1 1 1 19 3  21 o 135.8745 2.216943 185.0476       6.061513      176.5462       7.212039      193.5490       9.741212      132.7818 2.715747 138.9671 3.504864 -6.185226      4.433887 
1 1 1 19 3  22 o 143.0579 2.194693 205.0968       6.268381      208.0723       7.700871      202.1213       9.889987      144.1347 2.671415 141.9812 3.482852 2.153519       4.389387 
1 1 1 19 3  23 o 112.3872 2.405145 126.6712       5.400528      129.7884       7.325392      123.5540       7.934660      113.7862 3.218928 110.9883 3.574548 2.797913       4.810290 
1 1 1 19 3  24 o 74.30306 2.688006 55.47886       3.992126      51.80908       5.557096      59.15573       5.732792      71.83566 3.867923 76.77047 3.733722 -4.934814      5.376013 
1 1 1 19 3  25 o 77.75127 2.592617 60.74265       4.027548      57.22165       5.671865      64.27074       5.719331      75.48602 3.756898 80.01653 3.573844 -4.530510      5.185233 
1 1 1 19 3  26 o 100.0475 2.377042 100.4585       4.756546      100.2459       6.788385      100.6710       6.663697      99.93787 3.396303 100.1570 3.326625 -0.2191696     4.754083 
1 1 1 19 3  27 o 217.5063 2.328433 474.8752       10.13086      465.4529       14.14070      484.2976       14.50909      215.3506 3.283181 219.6620 3.302594 -4.311462      4.656867 
1 1 1 19 3  28 o 170.9994 2.257075 294.0075       7.729208      316.2529       11.34940      271.7621       10.48509      177.4766 3.197435 164.5221 3.186528 12.95450       4.514150 
1 1 1 19 3  29 o 114.2757 2.482161 131.3470       5.673990      137.1563       8.218040      125.5377       7.828392      116.8027 3.517915 111.7486 3.502681 5.054131       4.964323 
1 1 1 19 3  30 o 71.10290 3.461671 51.52570       4.902486      59.09196       7.127024      43.95943       6.733834      76.39606 4.664524 65.80973 5.116139 10.58633       6.923341 
1 1 1 19 3  31 o 154.5293 2.272189 240.3068       7.027133      249.9418       10.21588      230.6011       9.649114      157.6327 3.240404 151.4258 3.186087 6.206955       4.544377 
1 1 1 19 3  32 o 17.41993 5.345263 -1.013795      3.555011      1.397067       4.954912      -3.425364      5.100144      19.24819 7.945529 15.59167 7.152336 3.656521       10.69053 
1 1 1 19 3  33 o 149.6102 2.311672 225.8544       6.914490      215.5110       9.627860      236.1978       9.932493      146.1732 3.293304 153.0472 3.244913 -6.873932      4.623344 
1 1 1 19 3  34 o 100.0770 2.658164 101.6628       5.320473      107.9680       7.743378      95.35760       7.304138      103.1860 3.752146 96.96794 3.766264 6.218063       5.316328 
1 1 1 19 3  35 o 70.76818 3.133182 51.26357       4.424990      48.19598       6.337101      54.32409       6.176991      68.58289 4.620031 72.95348 4.233514 -4.370590      6.266365 
1 1 1 19 3  36 o 18.01498 5.600549 -0.4158612     3.909945      -0.1268129     5.118564      -0.7049096     5.912738      17.62914 7.695847 18.40083 8.138705 -0.7716904     11.20110 
1 1 1 19 3  37 o 57.33011 4.536387 36.14521       5.214913      34.08361       6.819557      38.20681       7.892153      55.94432 6.094951 58.71590 6.720626 -2.771587      9.072775 
1 1 1 19 3  38 o 77.12970 3.360781 62.37210       5.159654      64.78083       6.644569      59.96336       7.892153      79.00566 4.205123 75.25374 5.243695 3.751923       6.721562 
1 1 1 19 3  39 o 27.95517 6.158725 9.670367       3.820680      9.004422       4.986084      10.32923       5.790885      27.18726 8.360253 28.72308 9.045757 -1.535826      12.31745 
1 1 1 19 3  40 o 17.03290 5.300526 0.6184075      3.525965      -1.069762      4.655237      2.306719       5.297094      15.28167 6.949432 18.78412 8.005478 -3.502451      10.60105 
1 1 1 19 3  41 o 30.67586 5.842890 12.78047       3.683241      12.50417       4.809679      13.05677       5.579058      30.83913 7.790865 30.51259 8.709758 0.3265343      11.68578 
1 1 1 19 4  0  o 164.5271 3.281922 271.0536       10.78972      271.0536       10.78972      271.0536       10.78972      164.5271 3.281922 164.5271 3.281922 0.000000       0.000000 
1 1 1 19 4  1  o 32.72101 6.397175 11.05185       4.359104      12.96467       6.296011      9.146112       6.030342      35.28238 8.913980 30.15965 9.178038 5.122728       12.79435 
1 1 1 19 4  2  o 729.8871 5.452975 5336.059       79.62997      5338.893       112.6438      5333.225       112.5022      730.0804 7.714480 729.6937 7.708861 0.3867798      10.90595 
1 1 1 19 4  3  o 138.3321 2.422680 191.4237       6.702662      190.1485       9.408240      192.6989       9.549930      137.8716 3.411958 138.7927 3.440357 -0.9211426     4.845361 
1 1 1 19 4  4  o 459.0247 3.639886 2109.061       33.41767      2110.478       47.26791      2106.936       47.24665      459.2175 5.146571 458.8318 5.148581 0.3857117      7.279772 
1 1 1 19 4  5  o 112.4520 2.510609 126.5295       5.645652      130.0009       8.033843      123.0581       7.934660      113.9952 3.523763 110.9088 3.577111 3.086456       5.021218 
1 1 1 19 4  6  o 364.4886 3.049405 1329.764       22.23122      1343.225       31.68905      1315.595       31.18605      366.3818 4.324593 362.5954 4.300392 3.786438       6.098809 
1 1 1 19 4  7  o 50.60867 4.159846 25.83015       4.150110      30.19422       5.744127      21.46609       5.991377      54.92157 5.229391 46.29576 6.470761 8.625805       8.319693 
1 1 1 19 4  8  o 36.86688 5.372672 13.92108       3.884441      15.83390       4.857145      12.00826       6.063639      39.76278 6.107653 33.97098 8.840756 5.791801       10.74534 
1 1 1 19 4  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 4  10 o 352.4580 3.043645 1243.333       21.43775      1253.251       26.47484      1233.415       33.71522      353.9002 3.740439 351.0158 4.802522 2.884399       6.087290 
1 1 1 19 4  11 f 325.9133 2.878219 1062.678       18.74563      1069.762       23.10261      1056.302       29.52827      326.9763 3.532765 324.8503 4.544904 2.126038       5.756439 
1 1 1 19 4  12 o 154.5200 2.315980 238.8899       7.155363      237.7564       9.216957      240.0235       10.95975      154.1601 2.989411 154.8799 3.538145 -0.7197723     4.631959 
1 1 1 19 4  13 o 269.5744 2.559208 726.8716       13.80064      726.8716       16.86824      727.5800       21.84157      269.5332 3.129158 269.6156 4.050501 -0.8245850E-01 5.118417 
1 1 1 19 4  14 o 288.4182 3.034096 833.8478       17.32165      877.0634       19.61703      789.9238       28.55061      296.0375 3.313268 280.7989 5.083817 15.23856       6.068191 
1 1 1 19 4  15 o 339.8560 2.961976 1156.902       20.15545      1146.275       24.47701      1167.529       32.02911      338.3643 3.616961 341.3476 4.691568 -2.983215      5.923953 
1 1 1 19 4  16 o 218.7412 2.452969 479.1259       10.71179      491.0988       14.29656      467.1531       15.96142      221.4923 3.227326 215.9901 3.694943 5.502258       4.905939 
1 1 1 19 4  17 o 184.3577 2.232231 340.2694       8.246379      334.5309       9.989170      346.0079       13.12761      182.8280 2.731849 185.8874 3.531066 -3.059402      4.464463 
1 1 1 19 4  18 o 205.7062 3.451451 424.4334       14.30364      414.5151       11.44858      434.3517       26.21272      203.4993 2.812929 207.9131 6.303768 -4.413773      6.902903 
1 1 1 19 4  19 o 251.7350 2.512541 634.7728       12.63878      638.1025       15.43716      631.4431       20.02085      252.4501 3.057469 251.0200 3.987898 1.430054       5.025082 
1 1 1 19 4  20 o 189.7656 2.263822 360.6728       8.586436      362.3731       10.40716      358.9725       13.65895      190.2528 2.735087 189.2784 3.608165 0.9744263      4.527643 
1 1 1 19 4  21 o 227.3434 2.390648 518.1616       10.92433      498.6792       12.98592      537.6440       17.56960      223.1318 2.909922 231.5550 3.793830 -8.423233      4.781296 
1 1 1 19 4  22 o 111.4154 2.281999 124.4750       5.121398      118.0281       6.024674      130.9927       8.281801      108.5470 2.775146 114.2839 3.623346 -5.736885      4.563997 
1 1 1 19 4  23 o 61.62626 3.045107 38.61062       3.823514      30.19422       4.439159      47.02703       6.226583      54.84332 4.047128 68.40919 4.550984 -13.56588      6.090213 
1 1 1 19 4  24 f 169.7410 2.217210 288.9066       7.523758      290.3235       9.181536      287.4897       11.91616      170.2172 2.697005 169.2647 3.519978 0.9525757      4.434420 
1 1 1 19 4  25 o 181.0160 2.367491 328.7216       8.572267      328.8633       11.33523      328.6508       12.85840      181.0831 3.129842 180.9489 3.553046 0.1341705      4.734981 
1 1 1 19 4  26 o 19.68213 5.574750 1.983665       3.337516      1.558594       4.618397      2.409445       4.818889      19.05423 7.735500 20.31002 8.029533 -1.255783      11.14950 
1 1 1 19 4  27 o 172.7673 2.220378 299.5334       7.672533      307.3972       10.98100      291.6696       10.71888      175.0362 3.136780 170.4985 3.143393 4.537750       4.440755 
1 1 1 19 4  28 o 33.40032 5.490436 11.86657       3.601769      11.43441       5.093768      12.29872       5.093060      32.77563 7.860240 34.02501 7.667867 -1.249378      10.98087 
1 1 1 19 4  29 o 159.8800 2.320145 256.8846       7.417490      260.7103       10.62678      253.0590       10.35756      161.0663 3.298882 158.6936 3.263384 2.372696       4.640290 
1 1 1 19 4  30 o 24.91136 6.218421 5.573390       3.955995      3.183074       5.563472      7.962997       5.626524      22.01864 8.652043 27.80408 8.934046 -5.785439      12.43684 
1 1 1 19 4  31 o 58.62790 3.501981 35.12504       4.082807      41.30982       5.973666      28.94025       5.567014      63.87384 4.676144 53.38195 5.214323 10.49189       7.003962 
1 1 1 19 4  32 o 62.71949 4.089007 40.78557       5.251753      31.54736       5.912738      50.02378       8.678535      55.63069 5.314278 69.80830 6.215976 -14.17761      8.178014 
1 1 1 19 4  33 f 104.1685 3.072341 110.4476       6.475958      101.3794       7.353730      119.4450       10.66220      100.1293 3.672117 108.2076 4.926731 -8.078362      6.144683 
1 1 1 19 4  34 o 33.74955 6.053265 12.57502       4.197577      15.83390       5.596769      9.323226       6.257754      38.15855 7.603118 29.34055 9.421287 8.817997       12.10653 
1 1 1 19 4  35 o 50.38338 4.365351 26.54569       4.411529      24.43450       5.811430      28.66396       6.638901      48.43266 5.999495 52.33409 6.342808 -3.901428      8.730701 
1 1 1 19 4  36 o 109.7075 2.723675 123.2706       5.999878      115.8319       7.729208      130.7094       9.174451      106.5348 3.627552 112.8801 4.063803 -6.345306      5.447351 
1 1 1 19 4  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 4  38 o 25.41949 7.417645 5.232625       6.317265      1.556469       9.266549      8.905238       8.586436      23.01734 10.18362 27.82164 10.78795 -4.804300      14.83529 
1 1 1 19 4  39 o 37.66245 4.945398 17.25788       3.605311      26.34732       5.351645      8.175533       4.833058      49.38499 5.418292 25.93992 8.274658 23.44506       9.890797 
1 1 1 19 4  40 o 55.16852 3.452257 33.16971       3.808637      36.81115       5.608813      29.52827       5.155404      58.26775 4.812965 52.06929 4.950523 6.198460       6.904514 
1 1 1 19 4  41 o 47.85376 3.768319 25.96476       3.603894      25.75222       5.249628      26.17729       4.940034      47.43739 5.533218 48.27014 5.117070 -0.8327560     7.536638 
1 1 1 19 5  0  o 498.8894 5.522703 2490.917       55.08921      2490.917       55.08921      2490.917       55.08921      498.8894 5.522703 498.8894 5.522703 0.000000       0.000000 
1 1 1 19 5  1  o 631.3840 4.784303 3991.417       60.38843      3980.791       85.22675      4002.752       85.65182      630.5165 6.758488 632.2515 6.773556 -1.734985      9.568606 
1 1 1 19 5  2  o 447.1561 3.571517 2001.376       31.94409      2013.420       45.40467      1988.624       44.93710      448.5406 5.061379 445.7715 5.040373 2.769073       7.143033 
1 1 1 19 5  3  o 376.9447 3.143582 1421.863       23.70480      1448.075       34.01986      1395.650       33.01385      380.4182 4.471375 373.4711 4.419867 6.947083       6.287163 
1 1 1 19 5  4  o 217.1663 2.369034 471.8289       10.28672      462.6898       14.40283      480.9679       14.70037      215.0629 3.348514 219.2696 3.352123 -4.206680      4.738067 
1 1 1 19 5  5  o 250.2036 2.552759 626.3422       12.75213      636.5439       15.86224      616.1405       19.96417      252.2550 3.144087 248.1523 4.022565 4.102783       5.105518 
1 1 1 19 5  6  o 134.7998 2.377033 181.7887       6.415740      180.1593       7.828392      183.4182       10.16628      134.2025 2.916634 135.3970 3.754249 -1.194504      4.754066 
1 1 1 19 5  7  o 414.2001 3.467578 1717.287       28.77731      1694.617       34.68580      1739.958       45.92184      411.5162 4.214391 416.8840 5.507749 -5.367798      6.935156 
1 1 1 19 5  8  o 462.5746 3.784161 2142.358       35.06128      2116.146       42.35833      2168.571       55.88976      459.8152 4.606018 465.3340 6.005338 -5.518860      7.568321 
1 1 1 19 5  9  o 315.7117 2.852865 997.5001       18.04427      984.7480       21.82031      1010.252       28.74189      313.7229 3.477642 317.7006 4.523424 -3.977722      5.705729 
1 1 1 19 5  10 o 216.5942 2.359714 469.6327       10.16628      491.7364       12.91508      447.5290       15.70638      221.7075 2.912639 211.4809 3.713427 10.22658       4.719428 
1 1 1 19 5  11 o 513.7985 4.107001 2643.942       42.29457      2601.435       50.73932      2687.157       67.67840      509.7432 4.976949 517.8537 6.534510 -8.110535      8.214003 
1 1 1 19 5  12 o 268.7868 2.575418 723.3293       13.82190      731.8307       17.03118      714.1194       21.77781      270.4558 3.148607 267.1178 4.076443 3.338013       5.150836 
1 1 1 19 5  13 o 374.4894 3.179615 1404.151       23.83232      1393.525       28.95442      1414.778       37.87383      373.1304 3.879934 375.8484 5.038446 -2.717926      6.359231 
1 1 1 19 5  14 o 210.3297 2.323022 442.8532       9.819141      428.3299       11.62569      457.4473       15.81973      206.8961 2.809549 213.7632 3.700292 -6.867157      4.646045 
1 1 1 19 5  15 o 83.01311 2.580507 69.08822       4.319431      63.88110       5.215622      74.31659       6.886859      79.88495 3.264458 86.14128 3.997421 -6.256332      5.161014 
1 1 1 19 5  16 o 197.3768 2.397453 390.2152       9.493254      375.1960       12.09327      405.1635       14.63661      193.6031 3.123212 201.1505 3.638225 -7.547363      4.794907 
1 1 1 19 5  17 o 394.0917 3.702518 1557.885       29.18113      1544.425       40.91309      1571.346       41.62862      392.3944 5.213262 395.7890 5.258942 -3.394592      7.405037 
1 1 1 19 5  18 o 179.8376 2.774881 324.0458       9.953747      331.9097       12.53251      316.2529       15.46550      182.0496 3.442059 177.6255 4.353401 4.424103       5.549763 
1 1 1 19 5  19 o 270.0045 2.596335 730.4138       13.99192      741.7490       17.30039      719.0786       21.99743      272.1622 3.178324 267.8468 4.106346 4.315399       5.192670 
1 1 1 19 5  20 o 216.1206 2.353749 467.9324       10.15920      473.7417       12.44750      462.1231       16.05352      217.5126 2.861329 214.7287 3.738093 2.783859       4.707499 
1 1 1 19 5  21 o 27.26555 5.810185 7.651280       3.458662      6.084892       4.402319      9.216957       5.336767      24.75090 7.897520 29.78020 8.524212 -5.029295      11.62037 
1 1 1 19 5  22 o 58.43201 3.154801 34.30323       3.694576      33.60187       4.596435      35.00460       5.785217      57.86222 3.971879 59.00181 4.902576 -1.139584      6.309602 
1 1 1 19 5  23 f 104.3610 2.347580 109.2433       4.887609      111.1561       6.014048      107.2596       7.707955      105.3278 2.854920 103.3942 3.727460 1.933548       4.695160 
1 1 1 19 5  24 o 75.03291 2.689671 56.57696       4.061554      53.54479       4.897527      59.60913       6.480209      73.05573 3.351912 77.01010 4.207376 -3.954376      5.379343 
1 1 1 19 5  25 o 87.96828 2.550959 77.71716       4.479541      78.49645       5.443035      76.86702       7.119940      88.47534 3.076018 87.46123 4.070341 1.014114       5.101917 
1 1 1 19 5  26 o 166.6046 2.262447 278.5632       7.523758      282.8848       9.259464      274.3125       11.85948      167.9644 2.756378 165.2448 3.588460 2.719604       4.524894 
1 1 1 19 5  27 o 35.51866 5.193824 13.28347       3.631524      9.564099       5.150445      16.99576       5.119981      30.09085 8.295491 40.94647 6.252042 -10.85562      10.38765 
1 1 1 19 5  28 o 63.51870 3.222682 40.75723       4.084224      37.12996       5.733500      44.37742       5.818514      60.66999 4.725154 66.36741 4.383563 -5.697422      6.445363 
1 1 1 19 5  29 o 77.39516 3.602350 60.76391       5.527341      65.59555       7.190785      55.92518       8.395153      80.59408 4.461113 74.19623 5.657399 6.397850       7.204700 
1 1 1 19 5  30 f 50.83870 4.599452 26.60237       4.580849      30.83891       6.060097      22.36582       6.871274      55.07627 5.501549 46.60112 7.372434 8.475151       9.198904 
1 1 1 19 5  31 o 115.6900 2.644063 135.3143       6.072848      149.4833       8.345562      121.1453       8.827310      121.8402 3.424799 109.5397 4.029273 12.30044       5.288127 
1 1 1 19 5  32 o 116.9796 2.674277 138.2189       6.258463      137.8647       8.395153      138.5732       9.280719      116.8870 3.591142 117.0721 3.963675 -0.1851883     5.348553 
1 1 1 19 5  33 o 52.39565 5.185451 28.77731       5.443744      29.84707       8.140111      27.70046       7.226208      53.27136 7.640231 51.51994 7.013021 1.751419       10.37090 
1 1 1 19 5  34 o 114.1951 2.694750 132.2680       6.163530      127.0962       8.182618      137.4397       9.224042      112.0255 3.652125 116.3647 3.963420 -4.339233      5.389500 
1 1 1 19 5  35 o 80.99901 2.866790 67.08330       4.644610      74.67081       6.851437      59.48870       6.273340      85.61662 4.001231 76.38139 4.106590 9.235237       5.733579 
1 1 1 19 5  36 f 119.1611 2.475129 144.6659       5.897861      146.2244       8.487252      143.1781       8.196787      119.7607 3.543420 118.5615 3.456767 1.199265       4.950259 
1 1 1 19 5  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 5  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 5  39 o 20.38751 5.572954 3.846893       3.337516      2.082140       4.944285      5.610938       4.485917      18.56271 7.814546 22.21232 7.947588 -3.649611      11.14591 
1 1 1 19 5  40 o 19.69911 5.585571 3.939700       3.358061      4.986792       5.100852      2.892608       4.369022      21.09228 8.285634 18.30593 7.492843 2.786350       11.17114 
1 1 1 19 5  41 o 21.79295 5.711020 6.361897       3.321930      6.636068       5.029299      6.087726       4.342101      22.09630 8.338260 21.48961 7.806177 0.6066875      11.42204 
1 1 1 19 6  0  o 728.5090 7.708748 5314.097       112.2896      5314.097       112.2896      5314.097       112.2896      728.5090 7.708748 728.5090 7.708748 0.000000       0.000000 
1 1 1 19 6  1  f 117.4261 2.751430 138.0064       6.481626      132.7639       8.253463      143.2489       9.996255      115.1993 3.582254 119.6529 4.177189 -4.453590      5.502859 
1 1 1 19 6  2  o 443.6708 3.674934 1970.204       32.58878      1978.706       40.07712      1961.703       51.40526      444.6772 4.506316 442.6644 5.806347 2.012756       7.349867 
1 1 1 19 6  3  o 356.7827 3.129952 1273.796       22.34457      1268.837       27.24706      1278.755       35.42259      356.1183 3.825562 357.4469 4.954944 -1.328583      6.259903 
1 1 1 19 6  4  o 317.3562 2.901981 1007.418       18.44100      998.9170       22.39416      1016.628       29.30157      315.9860 3.543538 318.7264 4.596664 -2.740417      5.803963 
1 1 1 19 6  5  o 121.6545 2.468413 148.0664       6.010505      147.1454       7.282885      148.9874       9.564099      121.2833 3.002428 122.0257 3.918888 -0.7424011     4.936826 
1 1 1 19 6  6  o 223.2672 2.452329 498.7501       10.95267      499.4585       13.40391      497.9707       17.31456      223.4467 2.999352 223.0876 3.880665 0.3591919      4.904658 
1 1 1 19 6  7  f 395.6910 3.494962 1567.095       27.62254      1600.393       36.75448      1534.507       41.23898      399.8763 4.595731 391.5056 5.266716 8.370636       6.989924 
1 1 1 19 6  8  o 62.04845 3.489764 38.61062       4.371856      35.26673       5.243251      41.96160       6.997378      59.36047 4.416450 64.73642 5.404515 -5.375946      6.979528 
1 1 1 19 6  9  o 215.0243 2.473622 462.6190       10.65512      454.2593       13.75105      471.0496       16.27314      213.0824 3.226698 216.9663 3.750153 -3.883942      4.947245 
1 1 1 19 6  10 o 505.4304 4.040048 2558.219       40.79265      2580.890       50.44885      2536.258       64.12196      507.7293 4.968085 503.1314 6.372289 4.597931       8.080095 
1 1 1 19 6  11 o 235.9882 2.428425 557.3391       11.50526      541.4697       13.71563      573.2083       18.47642      232.6457 2.947750 239.3307 3.860020 -6.684998      4.856850 
1 1 1 19 6  12 o 108.3622 2.342309 117.5322       5.106521      111.7228       6.115356      123.4123       8.182618      105.6748 2.893480 111.0497 3.684213 -5.374985      4.684619 
1 1 1 19 6  13 f 228.2594 2.378575 521.4205       10.83931      528.5759       13.42516      514.3360       17.02410      229.8398 2.920547 226.6789 3.755112 3.160873       4.757149 
1 1 1 19 6  14 o 281.6777 2.751927 794.8829       15.51509      784.9646       20.05627      804.0928       23.68354      280.0115 3.581330 283.3439 4.179294 -3.332367      5.503855 
1 1 1 19 6  15 o 117.4602 2.406442 138.1481       5.644944      141.6195       7.488335      134.6767       8.444746      118.9459 3.147791 115.9745 3.640777 2.971390       4.812883 
1 1 1 19 6  16 o 83.84659 2.707770 70.42011       4.531966      72.75800       6.096936      68.10347       6.706204      85.24056 3.576311 82.45262 4.066702 2.787941       5.415539 
1 1 1 19 6  17 o 293.8177 3.032044 865.7281       17.82465      893.3577       25.76639      837.3900       24.63287      298.5655 4.315031 289.0698 4.260713 9.495728       6.064089 
1 1 1 19 6  18 o 177.8994 2.253582 317.0322       8.055097      305.8386       9.521592      328.1548       13.00009      174.7988 2.723586 181.0000 3.591186 -6.201141      4.507165 
1 1 1 19 6  19 o 14.88984 4.933043 -5.796553      3.880191      -2.222413      3.851852      -9.372816      6.737377      14.04196 6.366106 15.73773 7.537395 -1.695766      9.866085 
1 1 1 19 6  20 o 93.12709 2.463363 86.92703       4.570222      89.40662       5.644944      84.44745       7.190785      94.48160 2.987324 91.77258 3.917720 2.709015       4.926727 
1 1 1 19 6  21 o 129.7740 2.299062 168.8949       5.992794      162.0938       7.445828      175.6252       9.386987      127.2006 2.926805 132.3474 3.546344 -5.146759      4.598124 
1 1 1 19 6  22 o 54.90293 3.376557 30.30757       3.717247      29.69830       4.456161      30.91683       5.950287      54.38948 4.096529 55.41639 5.368707 -1.026909      6.753115 
1 1 1 19 6  23 o 39.04631 4.741315 15.77722       3.511796      18.20721       4.199702      13.34723       5.630066      42.54028 4.936148 35.55235 8.096587 6.987934       9.482631 
1 1 1 19 6  24 o 31.02641 5.463986 10.05293       3.460787      11.50526       4.142318      8.593520       5.544343      33.16417 6.476176 28.88864 8.802256 4.275530       10.92797 
1 1 1 19 6  25 o 98.63106 2.456626 97.69550       4.810388      102.8672       5.941077      92.52380       7.566265      101.2941 2.932587 95.96798 3.942078 5.326149       4.913252 
1 1 1 19 6  26 o 140.4262 2.607130 198.1540       7.332476      196.6662       7.736294      199.6417       12.45458      140.0475 2.762024 140.8049 4.422638 -0.7573547     5.214260 
1 1 1 19 6  27 o 135.2702 2.633629 183.9849       7.066098      190.7152       7.764632      177.2546       11.80989      137.8950 2.815414 132.6453 4.451680 5.249680       5.267259 
1 1 1 19 6  28 o 151.0639 2.742298 229.6092       8.303054      226.2795       9.670367      232.8681       13.49601      150.1185 3.220912 152.0094 4.439202 -1.890900      5.484595 
1 1 1 19 6  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 6  30 o 131.1669 2.588572 173.3582       6.772799      179.8759       9.131943      166.8404       10.01042      133.6950 3.415215 128.6389 3.890902 5.056107       5.177143 
1 1 1 19 6  31 o 168.1725 2.505581 285.0101       8.416408      290.4652       11.32106      279.6259       12.46167      169.8464 3.332736 166.4986 3.742274 3.347748       5.011161 
1 1 1 19 6  32 o 69.49193 3.129785 49.01070       4.344935      46.41068       6.155029      51.61071       6.133776      67.61948 4.551225 71.36436 4.297506 -3.744881      6.259569 
1 1 1 19 6  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 6  34 o 58.24891 3.623139 34.94793       4.215288      39.21989       6.169907      30.67596       5.744836      61.86157 4.986866 54.63624 5.257349 7.225330       7.246278 
1 1 1 19 6  35 o 38.97912 4.968713 16.35815       3.794467      17.85299       5.518131      14.87040       5.208537      41.13388 6.707526 36.82436 7.332225 4.309521       9.937426 
1 1 1 19 6  36 o 58.63808 3.599554 35.71305       4.211746      34.19697       6.137318      37.22914       5.770339      57.27654 5.357620 59.99963 4.808646 -2.723091      7.199109 
1 1 1 19 6  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 6  38 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 6  39 o 51.64989 4.128614 29.49993       4.152236      25.76639       6.473125      33.23347       5.202870      47.48412 6.816094 55.81567 4.660761 -8.331551      8.257229 
1 1 1 19 6  40 o 74.91357 3.081562 60.55846       4.673656      68.01846       7.516674      53.10555       5.551428      79.05200 4.754259 70.77515 3.921876 8.276848       6.163124 
1 1 1 19 7  0  f 342.5965 4.181636 1174.613       28.64271      1174.613       28.64271      1174.613       28.64271      342.5965 4.181636 342.5965 4.181636 0.000000       0.000000 
1 1 1 19 7  1  o 197.7914 2.346530 391.4196       9.280719      382.4931       12.95758      400.3461       13.29764      195.5359 3.313351 200.0470 3.323630 -4.511047      4.693060 
1 1 1 19 7  2  o 434.2783 3.504400 1888.024       30.43509      1897.234       43.24390      1878.106       42.84716      435.3776 4.966252 433.1789 4.945667 2.198761       7.008800 
1 1 1 19 7  3  o 570.1180 4.373834 3254.628       49.88209      3271.630       70.84518      3238.333       70.21466      571.5745 6.197371 568.6615 6.173677 2.912964       8.747668 
1 1 1 19 7  4  o 310.5237 2.991358 964.9113       18.56852      968.4536       24.27156      961.3691       28.11845      311.1096 3.900806 309.9378 4.536144 1.171722       5.982716 
1 1 1 19 7  5  o 242.0451 2.521177 586.1730       12.18537      593.1158       15.03335      579.2302       19.18487      243.4938 3.087008 240.5964 3.986942 2.897400       5.042353 
1 1 1 19 7  6  o 378.6752 9.084941 1438.866       68.80483      1438.866       68.80483      ?              ?             378.6752 9.084941 ?        ?        ?              ?        
1 1 1 19 7  7  o 154.3130 2.313074 238.2523       7.112856      245.2660       8.898154      231.3095       11.10144      156.5819 2.841374 152.0441 3.650731 4.537827       4.626148 
1 1 1 19 7  8  o 266.5339 2.591759 710.5771       13.82898      704.0594       16.74072      717.6617       22.02577      265.2803 3.155288 267.7876 4.112544 -2.507355      5.183518 
1 1 1 19 7  9  o 281.1329 2.656633 791.3406       14.98375      772.9209       17.90258      809.0520       24.03068      277.9467 3.220505 284.3190 4.226008 -6.372223      5.313266 
1 1 1 19 7  10 o 277.1557 2.617543 768.6702       14.49492      774.3378       17.87424      763.0026       22.82631      278.2001 3.212479 276.1113 4.133535 2.088745       5.235086 
1 1 1 19 7  11 o 81.96562 2.790477 67.35959       4.597852      61.74158       5.868106      72.97054       7.080976      78.54701 3.735410 85.38423 4.146536 -6.837219      5.580954 
1 1 1 19 7  12 o 96.80756 2.465140 93.79901       4.785592      91.88619       5.839768      95.71184       7.580434      95.82915 3.046968 97.78597 3.876034 -1.956818      4.930279 
1 1 1 19 7  13 o 203.0933 2.638226 413.0274       10.78264      401.3379       11.27855      424.7169       18.37724      200.2688 2.815854 205.9178 4.462276 -5.648956      5.276452 
1 1 1 19 7  14 o 170.4329 2.210568 290.7486       7.530843      292.5197       9.316141      288.9775       11.83114      170.9712 2.724476 169.8946 3.481907 1.076599       4.421136 
1 1 1 19 7  15 o 422.2802 3.663393 1788.132       30.95934      1772.546       40.16213      1803.718       47.12621      420.5266 4.775218 424.0337 5.556895 -3.507050      7.326786 
1 1 1 19 7  16 f 238.4973 2.539640 569.6661       12.12161      566.0530       15.70638      573.2083       18.46225      237.7746 3.302786 239.2199 3.858845 -1.445282      5.079280 
1 1 1 19 7  17 o 237.0285 2.467776 562.7233       11.73905      548.5542       13.89982      576.9631       18.92275      234.0856 2.968962 239.9715 3.942708 -5.885880      4.935553 
1 1 1 19 7  18 o 136.6805 2.241516 187.3147       6.184784      174.7751       7.212039      199.7834       10.04585      132.1363 2.729015 141.2246 3.556691 -9.088303      4.483031 
1 1 1 19 7  19 o 181.6525 2.611284 330.6344       9.493254      329.6426       9.960832      331.6971       16.15978      181.4555 2.744704 181.8495 4.443176 -0.3940125     5.222568 
1 1 1 19 7  20 o 178.4829 2.267577 319.2284       8.083434      322.4872       9.946663      315.8987       12.74505      179.4481 2.771460 177.5177 3.589797 1.930435       4.535155 
1 1 1 19 7  21 o 61.36575 3.162481 38.07220       3.771798      44.24281       4.677907      31.90158       5.916989      66.42336 3.521282 56.30815 5.254115 10.11521       6.324962 
1 1 1 19 7  22 o 142.9237 2.271454 205.3802       6.400154      227.9089       8.182618      182.8514       9.840395      150.8359 2.712424 135.0115 3.644280 15.82436       4.542909 
1 1 1 19 7  23 o 151.7117 2.553758 231.0261       7.771716      227.5547       8.295970      234.4267       13.14178      150.6950 2.752570 152.7285 4.302334 -2.033524      5.107516 
1 1 1 19 7  24 o 184.0009 2.645563 339.9860       9.748297      337.0814       10.27963      342.8907       16.57069      183.3829 2.802780 184.6189 4.487809 -1.236023      5.291125 
1 1 1 19 7  25 o 73.93867 3.268045 55.04670       4.800469      56.55571       5.157529      53.54479       8.097604      75.06204 3.435511 72.81532 5.560371 2.246727       6.536089 
1 1 1 19 7  26 o 55.42112 4.047735 31.12229       4.381066      34.05528       4.765755      28.18221       7.353730      58.19091 4.094931 52.65133 6.983422 5.539585       8.095470 
1 1 1 19 7  27 o 14.84475 5.024714 -6.244294      4.070055      -6.922991      4.242209      -5.564889      6.947078      11.91768 5.768060 17.77182 8.229244 -5.854136      10.04943 
1 1 1 19 7  28 o 94.85668 3.065149 90.68183       5.815681      90.32761       6.235084      91.03606       9.819141      94.82777 3.287583 94.88560 5.174201 -0.5783081E-01 6.130298 
1 1 1 19 7  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 7  30 o 147.4549 2.347708 218.9116       6.935743      229.5384       10.27963      208.2140       9.309056      151.0261 3.403265 143.8837 3.234924 7.142380       4.695417 
1 1 1 19 7  31 o 80.92848 2.891934 66.20482       4.680032      65.50345       6.735959      66.91327       6.497920      80.47714 4.185014 81.37981 3.992341 -0.9026718     5.783868 
1 1 1 19 7  32 o 85.48042 2.976351 74.03321       5.073932      71.41194       7.622942      76.72533       6.696286      83.85308 4.545415 87.10777 3.843679 -3.254692      5.952703 
1 1 1 19 7  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 7  34 o 62.14806 3.659125 39.80082       4.515672      36.93159       6.779883      42.67005       5.965872      59.72522 5.675897 64.57089 4.619630 -4.845676      7.318251 
1 1 1 19 7  35 o 21.68228 5.973059 3.624439       3.807220      5.925491       5.743419      1.323388       4.999545      24.54214 8.971700 18.82242 7.887860 5.719717       11.94612 
1 1 1 19 7  36 o 46.50783 4.576211 23.07428       4.285425      26.47484       6.635359      19.67370       5.423907      49.87915 6.651436 43.13651 6.286909 6.742634       9.152422 
1 1 1 19 7  37 o 103.4121 5.570543 134.8892       11.34231      157.2054       16.08894      112.6438       15.99684      114.1104 7.049724 92.71377 8.627005 21.39666       11.14109 
1 1 1 19 7  38 o 66.31068 3.510463 46.82866       4.615563      43.86733       7.044137      49.78291       5.966581      63.73463 5.526145 68.88673 4.330719 -5.152107      7.020926 
1 1 1 19 7  39 o 57.47890 3.663802 35.91142       4.233708      38.17847       6.693452      33.65146       5.184450      58.82611 5.689185 56.13170 4.618113 2.694412       7.327605 
1 1 1 19 7  40 o 28.84264 5.763937 10.83223       3.768255      9.613690       6.360480      12.05077       4.042426      26.04313 9.449077 31.64216 6.603546 -5.599028      11.52787 
1 1 1 19 8  0  o 25.17829 11.40290 9.231127       6.145111      9.231127       6.145111      9.231127       6.145111      25.17829 11.40290 25.17829 11.40290 0.000000       0.000000 
1 1 1 19 8  1  o 202.3570 2.373466 409.6268       9.606606      409.5560       13.60227      409.7685       13.56685      202.3306 3.361398 202.3833 3.351771 -0.5273438E-01 4.746932 
1 1 1 19 8  2  o 297.5503 2.720629 885.5648       16.18812      873.5211       22.67046      898.3169       23.12387      295.4686 3.836356 299.6319 3.858712 -4.163269      5.441258 
1 1 1 19 8  3  o 149.2472 2.320193 222.8789       6.926533      223.3040       9.819141      222.3830       9.769550      149.4013 3.286164 149.0931 3.276326 0.3082123      4.640386 
1 1 1 19 8  4  o 472.4500 4.083709 2235.166       38.58937      2235.166       58.36934      2235.166       50.48428      472.4030 6.177918 472.4969 5.342287 -0.9381104E-01 8.167418 
1 1 1 19 8  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 8  6  o 209.2161 2.324955 437.9649       9.727042      449.3710       13.94941      426.6297       13.56685      211.9321 3.291010 206.5001 3.284951 5.432053       4.649909 
1 1 1 19 8  7  o 31.12463 5.966213 10.03876       3.810762      9.564099       5.486959      10.50634       5.290718      30.47745 8.617778 31.77180 8.253284 -1.294348      11.93243 
1 1 1 19 8  8  o 243.7364 2.410817 594.3911       11.75322      586.4564       16.43608      602.3965       16.80448      242.1029 3.394441 245.3699 3.424315 -3.266998      4.821635 
1 1 1 19 8  9  o 52.46792 3.691362 27.75006       3.837683      23.18763       5.394152      32.31957       5.460038      48.11713 5.605231 56.81871 4.804789 -8.701580      7.382724 
1 1 1 19 8  10 o 53.61993 3.587917 28.89775       3.892942      25.42633       4.670114      32.36208       6.229416      50.39647 4.633375 56.84340 5.479455 -6.446938      7.175833 
1 1 1 19 8  11 o 286.7272 2.677132 823.2209       15.33090      832.4308       18.95109      813.3027       24.10153      288.4243 3.285279 285.0300 4.227893 3.394257       5.354264 
1 1 1 19 8  12 o 229.0001 2.403908 524.9628       10.98100      535.0228       13.58102      514.8319       17.26497      231.2284 2.936712 226.7719 3.806682 4.456482       4.807817 
1 1 1 19 8  13 o 64.65889 3.452505 41.94035       4.515672      39.39700       4.855729      44.48368       7.615856      62.72320 3.870760 66.59458 5.718076 -3.871384      6.905011 
1 1 1 19 8  14 o 171.9230 2.221748 295.9203       7.651280      291.3154       9.266549      300.4544       12.18537      170.6168 2.715603 173.2292 3.517124 -2.612411      4.443497 
1 1 1 19 8  15 f 203.0661 2.444389 412.9565       9.953747      399.8502       12.80881      426.1338       15.23171      199.8526 3.204563 206.2795 3.692008 -6.426865      4.888778 
1 1 1 19 8  16 o 115.4200 2.315060 133.4015       5.356604      130.5677       6.558138      136.2353       8.473083      114.2107 2.871069 116.6292 3.632488 -2.418465      4.630120 
1 1 1 19 8  17 o 94.76980 2.931517 90.18591       5.438076      98.19141       5.863855      82.18040       9.160281      99.03560 2.960479 90.50400 5.060706 8.531601       5.863035 
1 1 1 19 8  18 o 166.8820 2.344701 279.3425       7.877984      258.9391       9.741212      299.6751       12.38374      160.8107 3.028782 172.9533 3.580081 -12.14259      4.689403 
1 1 1 19 8  19 o 196.4491 2.327061 386.6022       9.146112      384.9727       11.05185      388.3024       14.57994      196.0745 2.818278 196.8238 3.703804 -0.7493591     4.654123 
1 1 1 19 8  20 o 100.5593 2.756119 101.4503       5.565597      99.53748       5.841893      103.3631       9.472000      99.67982 2.930329 101.4388 4.668826 -1.758965      5.512238 
1 1 1 19 8  21 o 177.5071 2.597122 316.3237       9.110690      333.1849       10.07418      299.3917       15.18921      182.3721 2.761986 172.6420 4.399046 9.730072       5.194245 
1 1 1 19 8  22 o 141.2439 2.643770 200.2085       7.459997      200.7044       8.373900      199.6417       12.35540      141.5204 2.958549 140.9675 4.382358 0.5529175      5.287539 
1 1 1 19 8  23 o 112.3260 2.725520 126.7420       6.156446      123.3415       6.487293      130.1426       10.46383      110.9214 2.924275 113.7307 4.600267 -2.809319      5.451040 
1 1 1 19 8  24 o 170.2321 2.602265 290.9612       8.883986      286.7104       9.493254      295.2119       15.01918      169.1297 2.806502 171.3344 4.383000 -2.204773      5.204531 
1 1 1 19 8  25 o 61.39508 3.883736 38.30599       4.570931      44.19322       4.889026      32.41875       7.722124      66.31852 3.686018 56.47165 6.837170 9.846874       7.767472 
1 1 1 19 8  26 o 169.9963 2.292802 290.0402       7.800055      287.7731       9.521592      292.3072       12.36248      169.4083 2.810250 170.5842 3.623571 -1.175964      4.585605 
1 1 1 19 8  27 o 101.7766 2.618545 104.1424       5.330391      103.9299       6.893235      104.3549       8.133026      101.7170 3.388437 101.8361 3.993196 -0.1190186     5.237091 
1 1 1 19 8  28 o 19.90755 5.872760 -0.1502626     4.146568      3.427490       5.365105      -3.727873      6.323640      22.09884 8.536036 17.71626 8.068044 4.382576       11.74552 
1 1 1 19 8  29 o 56.90179 4.082402 33.53102       4.672239      25.05086       5.783092      42.00410       7.339560      49.57935 5.832158 64.22422 5.714014 -14.64487      8.164804 
1 1 1 19 8  30 o 112.4437 2.597735 127.3796       5.846852      126.1753       7.509589      128.6548       8.961915      111.9684 3.353440 112.9190 3.968294 -0.9505539     5.195471 
1 1 1 19 8  31 o 33.84743 6.204429 12.49709       4.241501      11.88782       6.067182      13.10636       5.929741      33.01794 8.960058 34.67692 8.584701 -1.658978      12.40886 
1 1 1 19 8  32 o 70.57704 3.342553 50.71806       4.708370      49.47827       7.105771      51.95785       6.177700      69.61029 5.103967 71.54379 4.317426 -1.933495      6.685106 
1 1 1 19 8  33 o 59.54055 3.872735 36.90326       4.660904      44.49077       7.374983      29.31573       5.698786      65.68453 5.613942 53.39656 5.336286 12.28797       7.745469 
1 1 1 19 8  34 o 66.45642 3.332534 45.34092       4.373981      42.17413       6.956996      48.50061       5.304179      63.85631 5.447384 69.05653 3.840461 -5.200226      6.665068 
1 1 1 19 8  35 o 97.35495 2.917227 97.27043       5.678241      98.12057       9.493254      96.34944       6.235793      97.30898 4.877892 97.40092 3.201095 -0.9194946E-01 5.834453 
1 1 1 19 8  36 o 74.90547 4.150918 60.18298       6.308763      65.73016       10.85348      54.63580       6.428492      77.31982 7.018565 72.49113 4.433985 4.828690       8.301835 
1 1 1 19 8  37 o 88.86369 3.631914 83.45561       6.339226      80.40928       11.00226      86.50197       6.294595      85.89499 6.404481 91.83240 3.427219 -5.937408      7.263828 
1 1 1 19 8  38 o 86.71224 3.487523 80.12590       6.163530      88.27309       10.93850      71.97870       5.686742      89.80685 6.090012 83.61763 3.400445 6.189224       6.975046 
1 1 1 19 8  39 o 53.30090 4.603819 32.63129       4.986792      36.75448       8.834394      28.50810       4.635400      54.93267 8.041111 51.66912 4.485659 3.263554       9.207638 
1 1 1 19 8  40 o 60.90874 4.106576 43.59812       5.290009      55.76224       9.528677      31.44109       4.594310      67.81048 7.025961 54.00701 4.253438 13.80347       8.213152 
1 1 1 19 9  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 9  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 9  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 9  3  o 240.5474 2.675870 579.0884       12.85132      564.3527       19.24155      593.8242       17.03827      237.4753 4.051274 243.6196 3.496900 -6.144241      5.351741 
1 1 1 19 9  4  o 205.3956 2.334003 422.0956       9.592437      431.3055       13.75813      412.9565       13.36140      207.6275 3.313177 203.1637 3.288333 4.463776       4.668006 
1 1 1 19 9  5  f 199.6741 2.299937 398.9292       9.188620      388.2316       12.79464      409.6977       13.18429      196.9879 3.247570 202.3603 3.257628 -5.372375      4.599875 
1 1 1 19 9  6  o 206.7538 2.304808 427.6924       9.528677      423.9375       13.40391      431.4471       13.55268      205.8463 3.255805 207.6612 3.263171 -1.814941      4.609615 
1 1 1 19 9  7  o 235.0463 2.399306 552.8049       11.27855      553.8676       16.03226      551.6714       15.86932      235.2793 3.407071 234.8134 3.379134 0.4658661      4.798613 
1 1 1 19 9  8  o 285.7713 2.616318 816.8449       14.95542      819.6788       21.21813      814.7195       21.07644      286.2045 3.706814 285.3381 3.693240 0.8663940      5.232637 
1 1 1 19 9  9  o 112.0869 2.355574 125.7502       5.281508      121.1453       7.367898      130.3551       7.566265      110.0336 3.348023 114.1402 3.314461 -4.106628      4.711147 
1 1 1 19 9  10 o 251.5672 2.441859 633.3559       12.28455      632.0806       17.36415      634.5602       17.38541      251.3209 3.454578 251.8134 3.452041 -0.4925842     4.883718 
1 1 1 19 9  11 o 138.2215 2.208348 191.5654       6.108980      208.4265       8.990252      174.7042       8.274716      144.3166 3.114767 132.1265 3.131363 12.19016       4.416697 
1 1 1 19 9  12 o 262.0971 2.689559 687.9067       14.10528      682.5933       18.34890      693.1492       21.43067      261.1170 3.513540 263.0771 4.073077 -1.960083      5.379118 
1 1 1 19 9  13 o 263.9567 2.502295 697.6125       13.21263      690.2446       18.54018      704.9804       18.82356      262.5635 3.530609 265.3499 3.546932 -2.786407      5.004591 
1 1 1 19 9  14 o 192.9205 2.232505 372.5748       8.614774      370.7328       12.17829      374.4168       12.18537      192.4431 3.164125 193.3978 3.150338 -0.9546661     4.465011 
1 1 1 19 9  15 o 255.3501 2.685281 653.1926       13.69437      638.5276       20.48134      667.8575       18.17887      252.4536 4.056456 258.2466 3.519674 -5.792908      5.370563 
1 1 1 19 9  16 o 105.3548 2.387420 111.1561       5.030007      111.9354       7.169532      110.3768       7.059014      105.7234 3.390702 104.9861 3.361881 0.7373505      4.774840 
1 1 1 19 9  17 o 81.37912 2.745677 66.46694       4.453328      72.12038       6.247128      60.84184       6.349145      84.84528 3.681482 77.91296 4.074512 6.932327       5.491353 
1 1 1 19 9  18 o 147.9240 2.879467 219.4784       8.551013      228.5466       13.41808      210.4102       10.61261      150.9446 4.444703 144.9034 3.661960 6.041229       5.758935 
1 1 1 19 9  19 o 98.55934 2.654735 97.41212       5.224123      99.46662       6.922991      95.35760       7.828392      99.61784 3.474775 97.50085 4.014525 2.116982       5.309470 
1 1 1 19 9  20 o 58.03465 3.563971 33.87108       4.138067      33.72230       5.390610      34.01986       6.279008      57.93135 4.652584 58.13795 5.400094 -0.2065964     7.127942 
1 1 1 19 9  21 o 101.8941 2.615411 104.2133       5.339601      101.3794       6.857813      106.9762       8.189702      100.5499 3.410154 103.2384 3.966403 -2.688515      5.230823 
1 1 1 19 9  22 o 138.4448 2.538718 192.4155       7.033509      182.4972       9.592437      202.4047       10.29380      134.8666 3.556269 142.0230 3.623991 -7.156448      5.077436 
1 1 1 19 9  23 o 233.3583 2.611578 546.7831       12.19245      546.7122       18.49059      546.8539       15.88349      233.2713 3.963324 233.4453 3.401973 -0.1739960     5.223155 
1 1 1 19 9  24 o 95.18793 2.705416 91.24860       5.114314      81.89703       7.452912      100.6002       7.003046      90.26275 4.128455 100.1131 3.497567 -9.850357      5.410833 
1 1 1 19 9  25 f 224.2172 2.760948 505.6221       12.38374      485.6437       17.16579      525.6004       17.85299      219.7856 3.905121 228.6487 3.904020 -8.863159      5.521897 
1 1 1 19 9  26 f 31.86607 6.061030 10.81097       3.952453      11.51234       5.826308      10.10252       5.342435      32.86963 8.718111 30.86250 8.422523 2.007132       12.12206 
1 1 1 19 9  27 o 115.4880 2.582744 134.1808       5.991377      142.6822       9.188620      125.7502       7.686701      119.0990 3.857556 111.8771 3.435334 7.221901       5.165487 
1 1 1 19 9  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 9  29 o 103.9390 2.801463 109.2433       5.859605      120.3660       9.061099      98.12057       7.431659      109.2017 4.148789 98.67624 3.765678 10.52548       5.602927 
1 1 1 19 9  30 o 177.8918 2.347284 318.5908       8.352647      320.7161       12.00826      316.4654       11.61152      178.4691 3.364240 177.3146 3.274272 1.154495       4.694568 
1 1 1 19 9  31 o 80.61705 2.870133 65.79391       4.629732      69.09531       6.717540      62.49962       6.371816      82.63737 4.064469 78.59674 4.053486 4.040627       5.740266 
1 1 1 19 9  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 9  33 o 28.55891 6.712373 8.827310       4.633983      10.68345       7.970083      6.966206       4.725374      31.47050 10.64323 25.64731 8.182020 5.823196       13.42475 
1 1 1 19 9  34 o 60.70778 4.285782 38.42642       5.168156      38.06512       8.827310      38.78065       5.375024      59.82305 7.377850 61.59250 4.363376 -1.769447      8.571565 
1 1 1 19 9  35 o 26.97678 8.026932 0.000000       0.000000      ?              ?             8.196787       4.647444      ?        ?        26.97678 8.026932 ?              ?        
1 1 1 19 9  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 9  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 9  38 o 39.51043 5.490392 18.44808       4.244335      18.39849       7.183701      18.50476       4.523465      37.70633 9.518841 41.31454 5.474422 -3.608208      10.98078 
1 1 1 19 9  39 o 60.66209 3.731526 40.48802       4.439159      38.58937       7.389152      42.38667       4.916656      57.94616 6.375877 63.37803 3.878833 -5.431862      7.463052 
1 1 1 19 9  40 o 13.44840 4.588012 -4.176323      3.642859      -4.404445      6.101187      -3.947494      3.981499      14.90111 7.145370 11.99569 5.757005 2.905425       9.176024 
1 1 1 19 10 0  o 112.4565 3.570441 126.8837       8.012589      126.8837       8.012589      126.8837       8.012589      112.4565 3.570441 112.4565 3.570441 0.000000       0.000000 
1 1 1 19 10 1  o 390.0443 3.223051 1523.171       25.14295      1530.964       35.72723      1514.670       35.38717      391.0869 4.567684 389.0017 4.548460 2.085205       6.446101 
1 1 1 19 10 2  o 361.1838 3.050628 1305.677       22.03993      1313.470       31.37733      1297.884       30.95226      362.2604 4.330770 360.1071 4.297647 2.153351       6.101256 
1 1 1 19 10 3  o 114.5000 2.414879 131.2053       5.532300      137.1563       8.026759      125.3251       7.615856      117.0816 3.427848 111.9184 3.402414 5.163170       4.829758 
1 1 1 19 10 4  o 94.09411 2.661345 88.69817       5.000253      94.72000       7.078141      82.67632       7.063973      97.29395 3.637503 90.89426 3.885818 6.399689       5.322689 
1 1 1 19 10 5  o 329.0772 2.856385 1083.931       18.80231      1111.561       27.12662      1056.302       26.04977      333.2701 4.069765 324.8843 4.009084 8.385773       5.712770 
1 1 1 19 10 6  o 226.0389 2.369683 511.2188       10.71179      507.6057       15.08294      514.8319       15.21754      225.2402 3.348190 226.8376 3.354282 -1.597366      4.739365 
1 1 1 19 10 7  o 262.2554 2.514240 688.2609       13.19137      693.0075       18.77397      683.4434       18.52601      263.1660 3.566945 261.3448 3.544363 1.821198       5.028479 
1 1 1 19 10 8  o 293.0768 2.664645 859.3521       15.62136      877.7718       22.46501      841.6407       21.71405      296.1550 3.792778 289.9987 3.743818 6.156311       5.329291 
1 1 1 19 10 9  o 246.1270 2.433162 606.2930       11.97992      617.2740       17.17996      595.3121       16.69821      248.3551 3.458748 243.8989 3.423182 4.456192       4.866324 
1 1 1 19 10 10 o 220.6651 2.337544 487.5565       10.32214      505.9054       14.93416      469.1368       14.24696      224.8263 3.321267 216.5038 3.290234 8.322433       4.675089 
1 1 1 19 10 11 o 48.42939 3.914467 23.53477       3.790217      22.51460       5.310555      24.54785       5.409738      47.38105 5.604091 49.47772 5.466842 -2.096672      7.828934 
1 1 1 19 10 12 o 48.13181 4.024472 23.42850       3.885858      19.24864       5.013713      27.60837       5.938243      43.80266 5.723070 52.46096 5.659678 -8.658298      8.048944 
1 1 1 19 10 13 o 146.4660 2.195104 214.8026       6.429200      209.7726       9.032760      219.7617       9.153197      144.7619 3.119867 148.1701 3.088747 -3.408127      4.390208 
1 1 1 19 10 14 o 67.70987 3.033617 46.02103       4.099102      49.94585       5.839059      42.10329       5.755462      70.60451 4.135047 64.81523 4.439899 5.789276       6.067234 
1 1 1 19 10 15 o 236.5341 2.578558 560.4562       12.20662      553.3716       16.01101      567.4698       18.43391      235.0711 3.405567 237.9971 3.872719 -2.925949      5.157116 
1 1 1 19 10 16 o 275.1911 3.187269 759.4603       17.61211      741.7490       19.87916      777.1716       29.07486      272.1092 3.652791 278.2730 5.224162 -6.163818      6.374538 
1 1 1 19 10 17 o 196.5250 2.472383 386.8855       9.712874      387.0981       12.80172      386.7438       14.62245      196.5936 3.255885 196.4564 3.721550 0.1372223      4.944767 
1 1 1 19 10 18 o 306.6841 3.194718 945.0746       19.60995      891.9408       26.68029      997.5001       28.75606      298.1211 4.474741 315.2471 4.560876 -17.12601      6.389436 
1 1 1 19 10 19 o 153.0858 2.552059 235.1351       7.814223      223.8708       10.85348      246.3995       11.24313      149.4142 3.632012 156.7575 3.586154 -7.343292      5.104118 
1 1 1 19 10 20 o 37.23997 5.649453 14.65787       4.091309      12.38374       5.753337      16.92491       5.817806      34.23383 8.444433 40.24612 7.507118 -6.012295      11.29891 
1 1 1 19 10 21 o 200.1788 2.473704 401.9755       9.925409      412.1064       15.17504      391.8447       12.78755      202.6585 3.743993 197.6991 3.234096 4.959396       4.947409 
1 1 1 19 10 22 o 87.16795 2.812639 76.51279       4.863521      68.23808       7.119940      84.87252       6.623316      82.38292 4.321248 91.95299 3.601468 -9.570068      5.625279 
1 1 1 19 10 23 o 118.9382 2.523165 142.1154       6.024674      150.4043       9.252379      133.8265       7.722124      122.3826 3.780105 115.4938 3.343091 6.888794       5.046331 
1 1 1 19 10 24 o 221.4473 2.579598 492.8699       11.39899      472.4665       16.79031      513.2733       15.41591      216.7969 3.872359 226.0977 3.409126 -9.300781      5.159196 
1 1 1 19 10 25 o 132.7254 2.456852 176.9004       6.529800      180.4427       9.826226      173.3582       8.600604      134.0238 3.665852 131.4271 3.272006 2.596695       4.913705 
1 1 1 19 10 26 o 108.5502 2.519891 118.5948       5.464289      109.5266       7.587519      127.6630       7.870899      104.3832 3.634455 112.7171 3.491438 -8.333992      5.039783 
1 1 1 19 10 27 o 19.50678 5.823141 0.2364103      3.968038      2.252168       5.656987      -1.778922      5.567014      21.30465 8.597027 17.70891 7.856655 3.595739       11.64628 
1 1 1 19 10 28 o 17.33972 5.547668 -4.383899      4.325806      0.1394233      6.002712      -8.905238      6.230125      19.83024 8.488836 14.84919 7.144660 4.981046       11.09534 
1 1 1 19 10 29 o 81.83706 3.215434 67.80592       5.226957      63.81734       8.012589      71.76617       6.716123      79.32815 5.050282 84.34597 3.981295 -5.017822      6.430868 
1 1 1 19 10 30 f 55.95345 4.008793 32.26289       4.399486      25.98601       6.354104      38.53270       6.087018      50.32327 6.313287 61.58364 4.942074 -11.26037      8.017587 
1 1 1 19 10 31 o 93.75893 2.735917 88.91070       5.134858      90.18591       7.736294      87.63548       6.752962      94.36695 4.099048 93.15091 3.624743 1.216042       5.471833 
1 1 1 19 10 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 10 33 o 97.46698 2.813139 96.70367       5.509629      102.1587       8.565183      91.24860       6.930075      100.0901 4.278734 94.84380 3.653415 5.246346       5.626278 
1 1 1 19 10 34 o 106.2688 2.954608 115.7610       6.124566      103.8590       10.12378      127.6630       6.893235      100.2435 5.049594 112.2942 3.069275 -12.05075      5.909217 
1 1 1 19 10 35 o 39.88483 5.857441 17.73963       4.636817      17.47751       7.920490      18.00176       4.828099      38.33966 10.16301 41.43000 5.826815 -3.090340      11.71488 
1 1 1 19 10 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 10 37 o 114.8221 2.909438 137.8647       6.680700      140.3443       11.20771      135.4560       7.275800      114.8125 4.880874 114.8317 3.168027 -0.1918793E-01 5.818877 
1 1 1 19 10 38 o 52.49349 4.165700 30.64762       4.444118      34.11904       7.644195      27.18330       4.529841      54.39733 7.026259 50.58965 4.477043 3.807678       8.331400 
1 1 1 19 10 39 o 36.98318 5.919854 17.52001       5.089518      10.66928       9.146112      24.37074       4.466080      26.62235 10.85966 47.34400 4.716628 -20.72164      11.83971 
1 1 1 19 11 0  o 121.1725 3.408704 147.2163       8.246379      147.2163       8.246379      147.2163       8.246379      121.1725 3.408704 121.1725 3.408704 0.000000       0.000000 
1 1 1 19 11 1  o 158.4137 2.280567 251.2170       7.226208      240.7319       9.946663      261.6313       10.49217      155.1175 3.206170 161.7098 3.244136 -6.592270      4.561134 
1 1 1 19 11 2  o 283.9372 2.632524 806.9266       14.95542      831.7224       21.65737      782.1308       20.63012      288.2990 3.756060 279.5753 3.689545 8.723724       5.265049 
1 1 1 19 11 3  o 115.5949 2.425010 134.1808       5.599603      150.2626       8.182618      118.0989       7.644195      122.5488 3.338514 108.6410 3.518099 13.90782       4.850020 
1 1 1 19 11 4  o 214.2468 2.339853 459.3601       10.02459      472.6791       14.43116      446.0412       13.92816      217.3530 3.319752 211.1405 3.298316 6.212540       4.679705 
1 1 1 19 11 5  o 67.06790 3.213027 45.07170       4.300302      47.74965       5.987834      42.38667       6.173449      69.06806 4.334734 65.06774 4.743863 4.000320       6.426053 
1 1 1 19 11 6  o 185.1094 2.261595 342.8907       8.373900      350.7545       12.12161      335.0269       11.56193      187.2311 3.237072 182.9877 3.159209 4.243347       4.523189 
1 1 1 19 11 7  o 408.7914 3.328591 1673.363       27.21163      1685.407       38.75940      1661.319       38.21389      410.2606 4.723753 407.3222 4.690867 2.938385       6.657183 
1 1 1 19 11 8  o 209.4119 2.327660 438.8859       9.748297      433.4308       13.75105      444.3410       13.82190      208.1098 3.303796 210.7140 3.279776 -2.604141      4.655320 
1 1 1 19 11 9  f 169.2038 2.225585 286.5688       7.530843      292.5197       10.80389      280.6177       10.49926      170.9603 3.159765 167.4473 3.135093 3.513031       4.451171 
1 1 1 19 11 10 o 114.5247 2.343070 131.3470       5.363688      126.1044       7.523758      136.5895       7.651280      112.2368 3.351733 116.8125 3.275026 -4.575668      4.686140 
1 1 1 19 11 11 o 153.8104 2.217912 236.8354       6.824516      231.6637       9.514507      242.0071       9.783719      152.1313 3.127071 155.4895 3.146103 -3.358185      4.435825 
1 1 1 19 11 12 o 135.5539 2.412535 184.2683       6.582934      169.5325       8.218040      199.0041       10.28672      130.1369 3.157460 140.9708 3.648528 -10.83392      4.825071 
1 1 1 19 11 13 o 120.6563 2.646597 145.7994       6.387401      149.7667       9.252379      141.9029       8.813140      122.2810 3.783245 119.0315 3.702021 3.249550       5.293194 
1 1 1 19 11 14 o 86.50097 3.774409 0.000000       0.000000      ?              ?             74.95419       6.529800      ?        ?        86.50097 3.774409 ?              ?        
1 1 1 19 11 15 o 166.3143 2.791224 277.6422       9.436578      301.1628       16.04643      254.1925       9.939578      173.2964 4.629766 159.3323 3.119135 13.96411       5.582449 
1 1 1 19 11 16 o 219.7521 3.400125 485.2186       14.96959      520.9246       22.28081      449.4418       20.00668      227.8448 4.889470 211.6594 4.726150 16.18541       6.800251 
1 1 1 19 11 17 o 88.33351 3.157149 78.35477       5.616605      81.11773       9.493254      75.52096       6.005546      89.85247 5.282690 86.81454 3.458836 3.037926       6.314298 
1 1 1 19 11 18 o 134.5925 2.718950 181.9304       7.424574      194.7534       12.73796      169.1074       7.644195      139.2581 4.573510 129.9270 2.941727 9.331070       5.437899 
1 1 1 19 11 19 o 99.19046 2.991071 98.89986       5.830558      91.17775       9.712874      106.6928       6.448328      95.20393 5.101089 103.1770 3.124887 -7.973053      5.982142 
1 1 1 19 11 20 o 30.99257 6.106960 10.20170       4.377523      17.61920       7.127024      2.777839       5.085975      40.80826 8.975363 21.17689 8.283881 19.63137       12.21392 
1 1 1 19 11 21 o 202.4903 2.851316 411.8230       11.51943      406.2971       18.82356      417.4198       13.27639      200.9670 4.683249 204.0137 3.253797 -3.046753      5.702632 
1 1 1 19 11 22 o 157.2881 2.689367 248.6666       8.558097      262.4105       14.57994      234.9226       8.954830      161.5000 4.513913 153.0763 2.924957 8.423676       5.378734 
1 1 1 19 11 23 o 24.10520 5.635191 3.938284       3.739917      -1.324805      5.885818      9.202788       4.615563      18.68763 8.204370 29.52278 7.727215 -10.83515      11.27038 
1 1 1 19 11 24 o 95.71021 2.776650 92.09874       5.309846      91.67366       8.487252      92.52380       6.385275      95.41671 4.447467 96.00371 3.325536 -0.5869980     5.553301 
1 1 1 19 11 25 f 165.7753 2.450378 276.3670       8.055097      257.8056       12.49000      294.9285       10.17337      160.1019 3.900643 171.4488 2.966882 -11.34692      4.900756 
1 1 1 19 11 26 o 110.1669 2.866641 122.1371       6.338518      124.9709       10.43549      119.3741       7.197870      111.3093 4.687611 109.0245 3.301032 2.284767       5.733281 
1 1 1 19 11 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 11 28 o 74.12730 3.638634 55.76224       5.343852      53.33225       8.777717      58.19223       6.097645      72.30452 6.069965 75.95010 4.014244 -3.645576      7.277268 
1 1 1 19 11 29 o 21.32217 6.241222 1.731456       4.358396      2.026172       6.806805      1.436740       5.444452      22.54809 9.310513 20.09626 8.314189 2.451832       12.48244 
1 1 1 19 11 30 o 104.3886 3.007905 110.3768       6.305221      113.7774       10.18045      106.9762       7.438744      105.8156 4.810470 102.9616 3.612387 2.853973       6.015809 
1 1 1 19 11 31 o 139.2423 2.604224 196.0995       7.268716      200.3502       11.29272      191.9196       9.146112      140.5894 4.016207 137.8952 3.316327 2.694199       5.208449 
1 1 1 19 11 32 o 46.17641 4.694892 23.00343       4.039592      15.98976       5.756879      30.02419       5.668323      38.27357 7.791184 54.07925 5.240755 -15.80569      9.389785 
1 1 1 19 11 33 o 135.2737 2.402691 185.4727       6.500753      186.8896       9.386987      183.9849       8.997337      135.7722 3.456888 134.7752 3.337906 0.9970398      4.805381 
1 1 1 19 11 34 o 71.44465 3.426602 52.97094       4.925157      57.00912       7.679617      48.93277       6.167781      73.98943 5.189672 68.89987 4.475902 5.089554       6.853203 
1 1 1 19 11 35 o 35.80712 7.597301 16.15270       6.900320      17.08077       12.78047      15.22463       5.209954      35.08503 13.27670 36.52922 7.389526 -1.444191      15.19460 
1 1 1 19 11 36 o 45.66763 6.567335 25.80181       6.213830      32.70922       11.31397      18.89441       5.141234      49.59286 11.60151 41.74240 6.158288 7.850460       13.13467 
1 1 1 19 11 37 o 19.07859 6.026197 0.1564262E-01  5.061888      -1.167529      9.181536      1.198700       4.261337      21.13976 9.655175 17.01743 7.213721 4.122334       12.05239 
1 1 1 19 11 38 o 29.93681 6.703675 12.18537       5.146194      13.75813       9.422408      10.61261       4.136650      30.14259 11.40175 29.73103 7.053873 0.4115601      13.40735 
1 1 1 19 11 39 o 26.66167 5.373929 5.511755       4.887609      -3.484874      8.813140      14.50909       4.226623      18.31338 8.734830 35.00996 6.262523 -16.69658      10.74786 
1 1 1 19 12 0  o 83.17649 4.026743 69.69749       6.665114      69.69749       6.665114      69.69749       6.665114      83.17649 4.026743 83.17649 4.026743 0.000000       0.000000 
1 1 1 19 12 1  o 193.5750 2.317485 374.9836       8.976085      365.4903       12.53960      384.4768       12.83715      191.1242 3.280483 196.0259 3.274350 -4.901642      4.634969 
1 1 1 19 12 2  o 306.2496 2.753345 938.6987       16.86824      924.5295       23.59853      952.8677       24.10153      303.9389 3.882118 308.5603 3.905482 -4.621399      5.506689 
1 1 1 19 12 3  o 235.3377 2.425333 554.3635       11.42024      573.5626       16.55652      535.1644       15.73471      239.4129 3.457733 231.2625 3.401916 8.150330       4.850665 
1 1 1 19 12 4  o 104.9577 2.447263 110.2351       5.137692      114.0607       7.396237      106.4803       7.134109      106.7620 3.463892 103.1534 3.458010 3.608551       4.894525 
1 1 1 19 12 5  o 81.45084 2.886602 66.60155       4.688534      59.14156       6.522007      74.10406       6.737377      76.85973 4.242798 86.04195 3.915170 -9.182213      5.773205 
1 1 1 19 12 6  o 121.7066 2.368795 148.2081       5.766089      148.2789       8.175533      148.2081       8.133026      121.7210 3.358310 121.6924 3.341634 0.2860260E-01  4.737590 
1 1 1 19 12 7  o 387.2864 3.209950 1502.626       24.86666      1468.620       34.53703      1536.632       35.79099      382.9077 4.509836 391.6650 4.569081 -8.757263      6.419901 
1 1 1 19 12 8  o 318.4286 2.918681 1015.211       18.61103      1024.421       29.67705      1006.710       22.45792      319.7516 4.640640 317.1055 3.541081 2.646179       5.837362 
1 1 1 19 12 9  o 244.0123 2.664995 596.3038       13.02134      604.3802       19.96417      588.1567       16.71946      245.6450 4.063623 242.3797 3.449023 3.265244       5.329989 
1 1 1 19 12 10 o 182.2149 2.798323 332.6181       10.23713      339.2776       16.98159      325.8878       11.42733      183.9974 4.614626 180.4324 3.166650 3.565002       5.596646 
1 1 1 19 12 11 o 191.0158 2.830165 365.4903       10.81097      364.7818       17.72546      366.1987       12.36957      190.7744 4.645661 191.2572 3.233753 -0.4827728     5.660329 
1 1 1 19 12 12 o 205.4407 2.895361 422.9457       11.95158      434.4935       19.92875      411.3980       13.21263      208.1743 4.786554 202.7072 3.259042 5.467102       5.790721 
1 1 1 19 12 13 o 63.71276 4.061126 40.82808       5.081016      37.27873       8.352647      44.38450       5.788051      60.88094 6.859820 66.54459 4.349002 -5.663643      8.122252 
1 1 1 19 12 14 f 98.30786 4.511382 97.12873       8.798972      95.49931       16.37940      98.82903       6.445494      97.27162 8.419416 99.34410 3.244025 -2.072479      9.022764 
1 1 1 19 12 15 o 167.2010 2.726906 280.1927       9.117774      280.3344       15.50093      279.9801       9.606606      167.1747 4.636145 167.2273 2.872320 -0.5256653E-01 5.453812 
1 1 1 19 12 16 o 106.4739 2.982902 113.7065       6.294595      109.3141       10.62678      118.1698       6.749420      104.3290 5.092918 108.6189 3.106927 -4.289940      5.965803 
1 1 1 19 12 17 o 171.6920 2.404655 295.5661       8.303054      306.7596       13.41099      284.3726       9.783719      174.8912 3.834096 168.4929 2.903303 6.398239       4.809310 
1 1 1 19 12 18 o 35.96376 5.451579 13.59519       3.839100      14.44533       6.111814      12.75213       4.648152      36.99264 8.443616 34.93489 6.898129 2.057751       10.90316 
1 1 1 19 12 19 o 124.6853 2.790369 156.0719       6.998795      160.7477       11.87365      151.3961       7.417490      126.4590 4.694665 122.9116 3.017408 3.547371       5.580738 
1 1 1 19 12 20 o 54.49637 3.874975 29.96751       4.179157      27.82799       6.562388      32.09995       5.176658      52.48853 6.251260 56.50421 4.580771 -4.015682      7.749950 
1 1 1 19 12 21 o 151.3280 2.392265 229.8218       7.247461      231.6637       11.46275      227.9089       8.869816      151.8835 3.773533 150.7725 2.941457 1.110992       4.784529 
1 1 1 19 12 22 o 206.3687 2.469047 427.4798       10.22296      438.1066       16.36524      416.8530       12.25622      208.8385 3.918156 203.8988 3.005465 4.939682       4.938093 
1 1 1 19 12 23 o 191.7722 2.712395 369.7410       10.38590      367.4031       17.28622      372.0080       11.51943      190.9778 4.525717 192.5665 2.991025 -1.588791      5.424789 
1 1 1 19 12 24 o 66.20164 3.719956 44.34200       4.998127      48.35183       8.373900      40.33216       5.465705      69.09898 6.059351 63.30431 4.317009 5.794674       7.439912 
1 1 1 19 12 25 o 270.0206 3.074363 734.6645       16.49984      712.7025       27.28248      756.6265       18.55435      265.5894 5.136214 274.4519 3.380256 -8.862518      6.148726 
1 1 1 19 12 26 o 142.3076 2.859637 204.1050       8.055097      193.3365       13.19846      214.8734       9.231127      138.3512 4.769909 146.2639 3.155640 -7.912674      5.719274 
1 1 1 19 12 27 o 28.48637 7.001983 7.637110       5.019381      6.425658       8.026759      8.848563       6.027507      27.84963 10.52671 29.12312 9.235765 -1.273493      14.00397 
1 1 1 19 12 28 o 26.90575 6.213742 6.982501       4.223790      12.75922       6.674324      1.206493       5.177365      34.32134 9.435176 19.49017 8.088251 14.83117       12.42748 
1 1 1 19 12 29 o 16.55957 5.358093 -4.586517      4.138775      -8.196787      6.257754      -0.9790803     5.419656      15.17813 7.268128 17.94102 7.874703 -2.762881      10.71619 
1 1 1 19 12 30 o 100.3859 2.836804 102.0879       5.727833      109.5266       8.898154      94.72000       7.212039      103.9471 4.280135 96.82458 3.724281 7.122543       5.673607 
1 1 1 19 12 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 12 32 o 108.6632 2.839141 120.3660       6.084892      106.2678       9.174451      134.5350       7.998421      102.0415 4.495449 115.2849 3.468979 -13.24341      5.678281 
1 1 1 19 12 33 o 30.54262 6.293062 10.64095       4.208204      14.57994       6.536885      6.699120       5.301345      35.74642 9.113890 25.33882 8.680294 10.40760       12.58612 
1 1 1 19 12 34 o 102.5703 2.909424 108.0389       6.006963      115.6193       9.479085      100.4585       7.382068      105.9409 4.473761 99.19967 3.720813 6.741226       5.818848 
1 1 1 19 12 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 12 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 12 37 o 34.42671 6.863050 16.20938       5.353062      20.93475       9.790804      11.47692       4.337142      37.65293 11.74296 31.20049 7.106939 6.452438       13.72610 
1 1 1 19 12 38 o 19.99050 5.250422 0.9592436      3.846185      -5.567723      6.594978      7.488335       3.960245      15.46104 7.417497 24.51996 7.432930 -9.058928      10.50084 
1 1 1 19 12 39 o 24.12575 5.600974 6.458246       4.044551      2.088516       6.952746      10.82514       4.133816      19.15829 8.626149 29.09321 7.146551 -9.934917      11.20195 
1 1 1 19 13 0  o 27.25331 10.79228 10.27963       5.642818      10.27963       5.642818      10.27963       5.642818      27.25331 10.79228 27.25331 10.79228 0.000000       0.000000 
1 1 1 19 13 1  o 259.0197 2.531179 671.4706       13.11344      667.7867       18.53310      675.2254       18.55435      258.3019 3.587488 259.7376 3.571749 -1.435699      5.062357 
1 1 1 19 13 2  o 130.3194 2.389681 170.0284       6.225166      162.0229       8.678535      178.1048       8.933578      127.2359 3.410411 133.4030 3.348342 -6.167114      4.779362 
1 1 1 19 13 3  o 128.7060 2.349330 165.8486       6.045219      169.8159       8.572267      161.8104       8.529759      130.2607 3.290426 127.1513 3.354178 3.109467       4.698661 
1 1 1 19 13 4  o 144.4673 2.420520 208.9933       6.945662      198.7916       10.93850      219.2658       8.565183      140.9081 3.881428 148.0265 2.893126 -7.118332      4.841039 
1 1 1 19 13 5  o 286.5986 2.770221 822.5125       15.85515      812.5942       24.88083      832.4308       19.65954      284.8241 4.367754 288.3730 3.408699 -3.548950      5.540442 
1 1 1 19 13 6  o 277.6813 3.232037 772.9209       17.95925      775.0463       29.55661      770.0871       20.40341      278.0323 5.315319 277.3304 3.678539 0.7019348      6.464075 
1 1 1 19 13 7  o 265.4215 3.163342 706.0430       16.70529      684.4353       27.08411      727.5800       19.56035      261.2777 5.183012 269.5652 3.628130 -8.287506      6.326684 
1 1 1 19 13 8  o 76.31715 3.640149 58.52520       5.642818      63.94485       9.450747      53.10555       6.171323      79.82600 5.919591 72.80830 4.238063 7.017700       7.280298 
1 1 1 19 13 9  o 167.9534 2.842497 282.5306       9.564099      285.7186       15.91183      279.4134       10.62678      168.8378 4.712164 167.0690 3.180356 1.768768       5.684994 
1 1 1 19 13 10 o 115.0954 2.995695 132.7639       6.850729      128.3715       11.34940      137.1563       7.672533      113.1458 5.015387 117.0451 3.277598 -3.899292      5.991390 
1 1 1 19 13 11 o 90.22235 3.407710 81.75533       6.056554      75.94603       10.05293      87.49380       6.753671      86.97772 5.779027 93.46697 3.612865 -6.489250      6.815419 
1 1 1 19 13 12 o 196.2892 2.759671 386.0354       10.85348      389.5068       18.52601      382.5640       11.31397      197.0880 4.699935 195.4904 2.893742 1.597595       5.519341 
1 1 1 19 13 13 o 139.3479 2.403087 194.7534       6.769256      209.3475       11.08727      180.1593       7.771716      144.5472 3.835173 134.1486 2.896681 10.39857       4.806174 
1 1 1 19 13 14 o 267.6096 2.686800 717.6617       14.36032      709.8687       22.74839      725.4547       17.52710      266.0826 4.274685 269.1366 3.256171 -3.053986      5.373601 
1 1 1 19 13 15 o 79.30421 3.409746 63.17264       5.409029      66.26150       7.814223      60.08379       7.481250      81.24500 4.809049 77.36342 4.835135 3.881584       6.819492 
1 1 1 19 13 16 o 130.2831 2.429843 170.1701       6.322224      168.3990       9.953747      171.8704       7.800055      129.5809 3.840745 130.9853 2.977454 -1.404358      4.859687 
1 1 1 19 13 17 o 40.83244 5.086167 17.17996       4.093434      18.63937       6.580809      15.71346       4.871314      42.19147 8.087202 39.47340 6.170375 2.718067       10.17233 
1 1 1 19 13 18 o 56.83309 3.788297 32.51794       4.308095      32.69505       6.859938      32.34082       5.213497      56.93760 6.024086 56.72858 4.595124 0.2090111      7.576593 
1 1 1 19 13 19 o 139.9432 2.769515 196.5954       7.729208      194.1158       13.03551      199.0750       8.303054      138.9449 4.690894 140.9416 2.945566 -1.996719      5.539030 
1 1 1 19 13 20 o 124.3823 2.524894 155.2926       6.266964      153.2381       10.05293      157.3471       7.488335      123.4903 4.070333 125.2744 2.988773 -1.784103      5.049789 
1 1 1 19 13 21 o 124.3070 2.773298 155.2218       6.887568      154.5842       11.46275      155.8594       7.637110      123.9424 4.624223 124.6717 3.062890 -0.7292175     5.546597 
1 1 1 19 13 22 o 95.47925 3.041977 91.81535       5.749794      87.42295       9.514507      96.13691       6.461789      93.08950 5.110409 97.86900 3.301244 -4.779503      6.083953 
1 1 1 19 13 23 o 20.68652 6.035918 1.409111       4.111146      0.9812057      6.692744      1.837724       4.777090      21.75413 9.121835 19.61891 7.907043 2.135225       12.07184 
1 1 1 19 13 24 o 72.63220 3.623708 53.39601       5.165322      48.59979       8.430575      58.19223       5.975082      69.21085 6.090503 76.05355 3.928207 -6.842705      7.247416 
1 1 1 19 13 25 o 129.4576 2.746263 168.6115       7.112856      168.8241       10.93141      168.3990       9.096521      129.4682 4.221658 129.4470 3.513607 0.2119446E-01  5.492525 
1 1 1 19 13 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 13 27 o 40.12453 5.959124 17.29331       4.638234      15.94725       6.953454      18.63937       6.139443      38.33110 9.178070 41.91797 7.603135 -3.586872      11.91825 
1 1 1 19 13 28 o 80.45315 3.285195 65.60263       5.299928      68.77650       8.055097      62.43586       6.893235      82.34245 4.891218 78.56385 4.387028 3.778595       6.570390 
1 1 1 19 13 29 o 129.4576 2.656875 169.5325       6.838685      154.5842       9.996255      184.5517       9.330310      123.6270 4.042908 135.2882 3.448308 -11.66120      5.313750 
1 1 1 19 13 30 o 52.73445 4.122803 28.68521       4.378940      31.62529       6.818140      25.74514       5.495461      55.35955 6.158052 50.10935 5.483468 5.250202       8.245606 
1 1 1 19 13 31 o 91.51267 2.969088 85.22675       5.415406      83.59731       8.593520      86.78535       6.596395      90.43921 4.750993 92.58614 3.562301 -2.146927      5.938175 
1 1 1 19 13 32 o 56.85316 3.923237 33.62312       4.521339      37.98010       7.304138      29.27323       5.330391      60.36518 6.049960 53.34113 4.996511 7.024044       7.846473 
1 1 1 19 13 33 o 92.26136 2.915215 87.49380       5.292843      78.14223       8.203872      96.84536       6.687077      86.96483 4.716776 97.55789 3.427235 -10.59306      5.830430 
1 1 1 19 13 34 o 57.52385 4.235203 35.03294       4.781341      31.89450       7.601687      38.17138       5.805054      54.37395 6.990192 60.67376 4.783826 -6.299805      8.470407 
1 1 1 19 13 35 o 39.58653 5.704542 19.36199       4.524173      25.43342       7.148279      13.29764       5.546469      46.56160 7.676151 32.61145 8.440611 13.95015       11.40908 
1 1 1 19 13 36 o 70.13266 3.324891 52.00744       4.664447      52.92843       7.452912      51.08646       5.614480      70.23426 5.305753 70.03107 4.008564 0.2031937      6.649782 
1 1 1 19 13 37 o 44.12925 6.170295 24.56911       5.333934      15.72763       9.479085      33.40350       4.886900      32.12933 11.54726 56.12917 4.353262 -23.99984      12.34059 
1 1 1 19 13 38 o 16.81901 5.503190 -1.227038      4.767172      -2.779965      8.735210      0.3259586      3.819972      18.67579 8.816270 14.96222 6.588915 3.713572       11.00638 
1 1 1 19 14 0  o 305.8500 3.938079 936.5732       24.08027      936.5732       24.08027      936.5732       24.08027      305.8500 3.938079 305.8500 3.938079 0.000000       0.000000 
1 1 1 19 14 1  o 178.8610 2.802320 320.6453       9.897071      301.8713       16.57777      339.4193       10.80389      173.5618 4.775754 184.1602 2.933285 -10.59840      5.604640 
1 1 1 19 14 2  o 178.5365 2.902353 319.2284       10.34340      315.7570       16.98159      322.7706       11.80989      177.5057 4.783393 179.5674 3.288429 -2.061707      5.804706 
1 1 1 19 14 3  o 355.2792 3.758787 1266.003       26.65904      1253.960       43.51311      1277.339       30.82474      353.4761 6.155029 357.0822 4.316196 -3.606171      7.517575 
1 1 1 19 14 4  o 389.8900 4.016219 1525.297       31.36316      1540.174       51.75240      1509.711       35.45801      391.6224 6.607436 388.1575 4.567477 3.464905       8.032437 
1 1 1 19 14 5  o 229.2756 3.028178 526.6630       13.82190      513.9109       22.64920      539.4861       15.85515      226.4164 5.001670 232.1347 3.415075 -5.718277      6.056355 
1 1 1 19 14 6  o 165.0105 2.869169 272.7539       9.493254      276.7921       15.82681      268.7158       10.49217      166.1803 4.761940 163.8406 3.201944 2.339691       5.738338 
1 1 1 19 14 7  o 81.59822 3.642572 66.84242       6.015463      71.27025       10.12378      62.41460       6.506421      84.26338 6.007221 78.93307 4.121480 5.330315       7.285143 
1 1 1 19 14 8  o 122.9566 2.880913 151.4670       7.054055      148.7040       11.94450      154.2299       7.509589      121.7854 4.903912 124.1277 3.024945 -2.342316      5.761826 
1 1 1 19 14 9  o 250.2782 2.620161 627.6174       13.04968      602.7508       20.36799      652.4841       16.32273      245.2680 4.152190 255.2884 3.196919 -10.02040      5.240322 
1 1 1 19 14 10 f 169.3121 2.376291 287.0647       8.033843      284.3017       12.68129      289.8276       9.875818      168.4678 3.763712 170.1564 2.901983 -1.688568      4.752583 
1 1 1 19 14 11 o 26.92490 5.901849 6.457538       3.858228      2.723997       6.105437      10.18754       4.718997      22.66773 9.013891 31.18206 7.620831 -8.514326      11.80370 
1 1 1 19 14 12 o 97.94769 2.700855 96.20776       5.243251      90.61098       8.366816      101.8045       6.317265      95.06452 4.400599 100.8309 3.132604 -5.766350      5.401711 
1 1 1 19 14 13 o 50.28791 4.872331 25.53969       5.019381      28.18221       8.791886      22.89716       4.840851      52.81586 8.323151 47.75996 5.067897 5.055901       9.744661 
1 1 1 19 14 14 o 332.3898 3.033041 1108.019       20.12003      1090.307       31.63237      1126.438       24.87374      329.5494 4.799336 335.2301 3.709950 -5.680695      6.066083 
1 1 1 19 14 15 o 99.28679 2.860618 98.97072       5.665489      95.14508       8.451830      102.7255       7.545012      97.35989 4.340509 101.2137 3.727268 -3.853813      5.721237 
1 1 1 19 14 16 o 141.5171 2.455498 200.7752       6.942828      199.6417       11.03059      201.9796       8.437660      141.0544 3.910050 141.9798 2.971429 -0.9254303     4.910996 
1 1 1 19 14 17 o 51.86066 4.207411 27.11953       4.354145      26.72989       6.932201      27.50918       5.269464      51.42763 6.739763 52.29370 5.038336 -0.8660736     8.414823 
1 1 1 19 14 18 o 76.29200 3.436273 58.55354       5.210663      56.84617       8.614774      60.26091       5.866689      75.09273 5.736091 77.49127 3.785387 -2.398544      6.872546 
1 1 1 19 14 19 o 73.35329 3.707753 54.40910       5.296385      47.98344       8.721042      60.84184       6.009797      68.87270 6.331277 77.83389 3.860655 -8.961197      7.415505 
1 1 1 19 14 20 o 149.8361 2.727779 225.5002       8.154280      223.5874       13.63770      227.4130       8.954830      149.0670 4.574350 150.6051 2.972950 -1.538101      5.455557 
1 1 1 19 14 21 o 37.51685 6.145694 14.66495       4.727499      9.755382       7.190785      19.58161       6.139443      31.12506 10.10950 43.90863 6.991157 -12.78357      12.29139 
1 1 1 19 14 22 o 119.1060 2.715398 142.6113       6.441244      136.8020       9.833311      148.4915       8.324308      116.6025 4.216596 121.6096 3.422553 -5.007179      5.430797 
1 1 1 19 14 23 o 27.59544 6.286539 7.190785       4.378940      13.46767       6.878358      0.9046929      5.422490      35.47928 9.501043 19.71160 8.234833 15.76768       12.57308 
1 1 1 19 14 24 o 206.8100 2.673090 430.2428       11.02351      416.0029       16.58486      444.4118       14.53743      203.3004 4.078905 210.3195 3.456034 -7.019165      5.346179 
1 1 1 19 14 25 o 98.64622 3.328053 98.33311       6.565931      98.82903       9.840395      97.90804       8.699788      98.81393 4.979256 98.47851 4.417099 0.3354187      6.656107 
1 1 1 19 14 26 o 136.5845 2.756001 188.1648       7.502505      183.6307       11.84531      192.6989       9.209873      134.7823 4.394241 138.3868 3.327584 -3.604553      5.512002 
1 1 1 19 14 27 o 59.82917 4.223360 36.87492       4.846519      29.32282       7.622942      44.41993       5.983583      53.38947 7.138993 66.26888 4.514626 -12.87941      8.446720 
1 1 1 19 14 28 o 56.16660 3.982569 32.41167       4.529841      37.42042       7.240376      27.40292       5.449411      60.45774 5.987965 51.87546 5.252398 8.582287       7.965137 
1 1 1 19 14 29 o 20.19294 5.703232 0.5414697      3.909237      -4.181991      5.990668      5.264505       5.023631      16.70104 7.698342 23.68484 8.416826 -6.983801      11.40646 
1 1 1 19 14 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 14 31 o 31.75407 6.203928 11.27147       4.111146      12.31289       6.518465      10.23004       5.011588      33.08534 9.405090 30.42280 8.093155 2.662546       12.40786 
1 1 1 19 14 32 o 49.19063 4.780744 25.57511       4.664447      23.69771       7.025717      27.44542       6.136609      47.10402 7.457662 51.27724 5.983756 -4.173225      9.561488 
1 1 1 19 14 33 o 104.4602 2.802878 111.7228       5.834100      109.4558       9.224042      113.9899       7.148279      103.0664 4.474806 105.8540 3.376481 -2.787598      5.605757 
1 1 1 19 14 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 14 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 14 36 o 21.40896 5.790336 3.940409       3.740625      1.209327       5.885818      6.671490       4.619106      19.00187 8.274108 23.81604 8.102537 -4.814171      11.58067 
1 1 1 19 14 37 o 16.07158 5.114924 -0.4842268     3.523839      -1.100226      5.678241      0.1319137      4.174906      16.65941 7.602437 15.48375 6.844905 1.175666       10.22985 
1 1 1 19 14 38 o 20.88446 6.323432 5.763964       4.894693      13.51017       8.820225      -1.981540      4.241501      28.09240 10.92540 13.67653 6.370157 14.41587       12.64686 
1 1 1 19 15 0  o 13.53630 9.351753 -5.100852      8.019674      -5.100852      8.019674      -5.100852      8.019674      13.53630 9.351753 13.53630 9.351753 0.000000       0.000000 
1 1 1 19 15 1  o 154.1474 3.441058 238.3232       10.61261      249.8001       15.47259      226.8463       14.53743      157.8585 4.900776 150.4362 4.831760 7.422348       6.882116 
1 1 1 19 15 2  o 99.91222 3.591278 100.1042       7.190785      97.55381       9.096521      102.6547       11.14395      98.66235 4.609925 101.1621 5.507966 -2.499741      7.182556 
1 1 1 19 15 3  f 189.2731 3.095663 359.0434       11.76738      370.3078       18.76689      347.7790       14.19029      192.1973 4.882193 186.3488 3.807453 5.848480       6.191325 
1 1 1 19 15 4  o 228.1749 3.214610 521.8456       14.70746      534.2435       23.31515      509.4477       17.94508      230.8278 5.050333 225.5219 3.978568 5.305908       6.429220 
1 1 1 19 15 5  o 71.65128 3.307583 51.57529       4.670114      46.66572       7.339560      56.48486       5.780259      68.20604 5.380433 75.09652 3.848553 -6.890480      6.615166 
1 1 1 19 15 6  o 66.51921 3.377111 44.36325       4.508587      45.39759       7.311223      43.33599       5.275840      67.26722 5.434462 65.77120 4.010753 1.496017       6.754222 
1 1 1 19 15 7  o 105.2487 2.664027 110.9436       5.581892      107.6847       8.947746      114.2733       6.675741      103.6593 4.315942 106.8382 3.124230 -3.178932      5.328054 
1 1 1 19 15 8  o 267.7536 2.696283 718.3701       14.46659      728.9969       23.16637      707.4600       17.33581      269.6975 4.294880 265.8096 3.260946 3.887909       5.392566 
1 1 1 19 15 9  o 157.1922 2.421805 247.4622       7.608772      246.8955       12.15703      248.0290       9.160281      156.9796 3.872169 157.4047 2.909786 -0.4250946     4.843609 
1 1 1 19 15 10 o 34.85168 5.757576 12.72379       3.982208      13.12761       6.344185      12.32706       4.815347      35.36013 8.956654 34.34323 7.237202 1.016903       11.51515 
1 1 1 19 15 11 o 177.7470 2.411013 316.4654       8.593520      323.4082       13.82898      309.5934       10.21588      179.6467 3.848938 175.8473 2.904757 3.799332       4.822026 
1 1 1 19 15 12 o 191.9627 2.437255 369.3159       9.309056      355.1469       14.56577      383.4850       11.60444      188.2325 3.869089 195.6928 2.964963 -7.460297      4.874511 
1 1 1 19 15 13 o 72.73658 3.984038 53.62271       5.503962      44.02319       9.351563      63.22932       5.810013      66.05208 7.078932 79.42108 3.657727 -13.36900      7.968077 
1 1 1 19 15 14 o 121.4177 2.770759 147.8539       6.735251      148.7040       11.29272      147.0746       7.339560      121.6753 4.640515 121.1602 3.028867 0.5151520      5.541517 
1 1 1 19 15 15 o 108.6644 2.911508 118.8074       6.441244      130.0717       10.93850      107.5430       6.804679      113.7521 4.808041 103.5767 3.284852 10.17544       5.823016 
1 1 1 19 15 16 o 100.6323 3.115201 102.5130       6.033175      84.09322       9.691620      121.0036       7.190785      91.40110 5.301698 109.8635 3.272600 -18.46240      6.230402 
1 1 1 19 15 17 o 97.94246 3.197854 97.34127       6.417865      115.7610       10.68345      78.85069       7.112856      107.2635 4.980004 88.62141 4.013057 18.64209       6.395707 
1 1 1 19 15 18 o 37.52002 6.106633 14.57285       4.644610      11.81698       7.396237      17.32873       5.621565      33.68659 10.14717 41.35345 6.796973 -7.666855      12.21327 
1 1 1 19 15 19 o 136.8308 2.678611 188.0939       7.304138      180.7260       11.04476      195.4619       9.564099      134.0970 4.118198 139.5645 3.426408 -5.467484      5.357223 
1 1 1 19 15 20 o 114.2885 2.793527 131.2761       6.399445      134.5350       9.911241      128.0172       8.097604      115.6585 4.284702 112.9185 3.585598 2.739998       5.587055 
1 1 1 19 15 21 o 155.9795 2.777128 244.6284       8.664365      245.9744       12.58210      243.2823       11.91616      156.3878 4.022725 155.5712 3.829809 0.8166199      5.554255 
1 1 1 19 15 22 o 71.49937 3.583865 51.59655       5.129191      52.19164       7.722124      51.00144       6.750128      71.87124 5.372194 71.12749 4.745091 0.7437439      7.167730 
1 1 1 19 15 23 o 68.72460 3.627838 47.74257       4.948535      45.41176       7.842561      50.07337       6.037426      66.93952 5.857946 70.50968 4.281274 -3.570160      7.255676 
1 1 1 19 15 24 o 85.45790 3.468457 73.82067       5.907071      72.26208       9.493254      75.37926       7.027842      84.41290 5.623106 86.50291 4.062200 -2.090019      6.936915 
1 1 1 19 15 25 o 76.92589 7.040502 63.39226       11.08727      49.48536       12.48292      77.29209       18.32056      68.73120 9.080971 85.12058 10.76154 -16.38938      14.08100 
1 1 1 19 15 26 o 56.72471 4.280180 32.90759       4.901069      36.24440       7.792970      29.57786       5.948870      59.51023 6.547589 53.93919 5.514422 5.571033       8.560360 
1 1 1 19 15 27 o 40.74388 5.387800 19.22029       4.438450      31.64654       7.169532      6.787676       5.237584      55.53120 6.455409 25.95656 8.627934 29.57464       10.77560 
1 1 1 19 15 28 f 92.22917 2.987818 86.21858       5.477749      82.74717       8.643111      89.61916       6.733834      90.22314 4.789853 94.23520 3.572887 -4.012062      5.975635 
1 1 1 19 15 29 o 47.60897 15.70010 28.34516       17.34290      28.34516       17.34290      ?              ?             47.60897 15.70010 ?        ?        ?              ?        
1 1 1 19 15 30 o 82.28745 3.136979 68.98195       5.141234      66.93452       8.040927      71.05771       6.406529      80.86325 4.971930 83.71165 3.826546 -2.848396      6.273958 
1 1 1 19 15 31 o 23.93542 6.363552 5.045594       4.218122      4.650986       6.769256      5.439492       5.034966      24.27187 9.541703 23.59898 8.422297 0.6728840      12.72710 
1 1 1 19 15 32 o 93.67841 2.943585 90.11507       5.494752      88.20225       8.678535      91.95705       6.740918      92.37183 4.697609 94.98499 3.548413 -2.613167      5.887169 
1 1 1 19 15 33 o 18.87572 5.734020 -1.339682      4.313055      -6.463914      6.716123      3.785258       5.413280      16.18969 7.682080 21.56175 8.514786 -5.372061      11.46804 
1 1 1 19 15 34 o 24.17188 6.406900 6.470999       4.324390      4.971206       6.682117      7.970083       5.492627      22.79612 9.287828 25.54764 8.827782 -2.751522      12.81380 
1 1 1 19 15 35 o 55.10554 4.090189 33.26889       4.308095      25.93642       6.590019      40.60846       5.550012      48.07693 6.853619 62.13415 4.466152 -14.05722      8.180379 
1 1 1 19 15 36 o 38.91106 5.042332 18.01593       3.904278      22.24539       6.223041      13.77939       4.716872      43.80006 7.103918 34.02207 7.157849 9.777988       10.08466 
1 1 1 19 15 37 o 36.58506 5.271535 16.89658       3.790925      20.85682       6.105437      12.92925       4.495126      40.75471 7.769490 32.41541 7.126807 8.339298       10.54307 
1 1 1 19 16 0  o 85.72389 4.728501 74.24575       8.055097      74.24575       8.055097      74.24575       8.055097      85.72389 4.728501 85.72389 4.728501 0.000000       0.000000 
1 1 1 19 16 1  o 109.2917 3.038605 119.7283       6.644569      115.7610       9.153197      123.6957       9.634944      107.4825 4.257993 111.1009 4.336123 -3.618378      6.077209 
1 1 1 19 16 2  o 54.47232 4.746328 30.01002       5.113605      34.74247       7.148279      25.27756       7.311223      58.81931 6.076473 50.12533 7.292943 8.693974       9.492657 
1 1 1 19 16 3  o 94.50897 3.224025 89.61916       6.089851      95.14508       8.706873      84.09322       8.515590      97.42995 4.468273 91.58800 4.648858 5.841949       6.448050 
1 1 1 19 16 4  f 230.5299 2.912513 532.6140       13.43225      547.7750       19.22029      517.4532       18.75980      233.8126 4.110193 227.2473 4.127619 6.565308       5.825026 
1 1 1 19 16 5  o 86.67665 3.334326 75.59180       5.774590      84.58914       8.465999      66.60863       7.856731      91.85403 4.608398 81.49927 4.820124 10.35476       6.668653 
1 1 1 19 16 6  o 111.6008 2.724422 124.8292       6.069307      121.9954       9.181536      127.5922       7.941744      110.3321 4.160862 112.8694 3.518113 -2.537239      5.448843 
1 1 1 19 16 7  o 22.48463 6.186579 2.808303       4.106895      1.197284       6.405821      4.420031       5.140526      21.70471 9.001382 23.26454 8.489414 -1.559826      12.37316 
1 1 1 19 16 8  o 118.6906 2.694413 141.1944       6.387401      138.7857       9.712874      143.5323       8.295970      117.6727 4.127071 119.7084 3.465074 -2.035706      5.388826 
1 1 1 19 16 9  o 134.2621 2.581117 180.7260       6.901029      171.2328       10.34340      190.2193       9.139028      130.7113 3.956582 137.8129 3.315738 -7.101608      5.162234 
1 1 1 19 16 10 o 235.2886 2.863352 555.0720       13.48184      570.8705       19.64537      539.3444       18.46934      238.6201 4.116453 231.9570 3.981198 6.663055       5.726703 
1 1 1 19 16 11 o 151.7372 2.860906 231.0261       8.749379      243.5657       14.27530      218.5574       10.12378      155.7861 4.581702 147.6883 3.427412 8.097717       5.721813 
1 1 1 19 16 12 o 87.00710 3.295278 76.08772       5.684617      72.82884       9.422408      79.27575       6.357646      85.08734 5.536904 88.92686 3.574649 -3.839516      6.590556 
1 1 1 19 16 13 o 69.40565 3.834892 48.47227       5.320473      48.41560       8.565183      48.53603       6.315140      69.29746 6.180011 69.51383 4.542362 -0.2163696     7.669785 
1 1 1 19 16 14 o 33.11236 7.524436 10.79680       5.834808      6.359063       7.920490      15.23880       8.572267      28.21197 10.50157 38.01275 10.77894 -9.800779      15.04887 
1 1 1 19 16 15 f 32.28468 6.363085 11.05893       4.783466      19.38324       7.792970      2.733207       5.547177      42.77370 9.366296 21.79565 8.615561 20.97804       12.72617 
1 1 1 19 16 16 o 111.2519 2.889156 124.4041       6.397319      118.1698       9.705790      130.5677       8.338477      108.4308 4.475569 114.0731 3.654884 -5.642319      5.778312 
1 1 1 19 16 17 o 70.03880 3.700290 49.47119       5.202161      51.65322       8.083434      47.28916       6.552470      71.53828 5.649727 68.53934 4.780080 2.998940       7.400580 
1 1 1 19 16 18 o 34.79390 6.314650 12.65295       4.570222      9.202788       7.059014      16.10311       5.807179      30.44583 10.01645 39.14197 7.692203 -8.696142      12.62930 
1 1 1 19 16 19 o 169.0355 2.549401 286.9938       8.671450      299.4626       14.02026      274.5959       10.20170      172.6066 4.061334 165.4644 3.082749 7.142181       5.098802 
1 1 1 19 16 20 o 48.34723 5.442890 24.24322       5.131316      24.99418       8.763549      23.49226       5.340310      48.48843 9.371189 48.20604 5.539046 0.2823906      10.88578 
1 1 1 19 16 21 o 28.45141 6.500123 8.253463       4.333600      11.55485       6.972582      4.952786       5.149027      33.15388 9.825212 23.74894 8.513027 9.404942       13.00025 
1 1 1 19 16 22 o 53.49282 4.439357 29.08195       4.777799      30.62637       7.630026      27.53752       5.752628      54.82080 6.959061 52.16484 5.513894 2.655956       8.878714 
1 1 1 19 16 23 o 131.7824 2.776621 174.9876       7.382068      185.9686       12.00826      164.0066       8.586436      135.8064 4.421093 127.7583 3.360421 8.048119       5.553242 
1 1 1 19 16 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 16 25 o 132.9742 3.468791 179.3091       9.337394      188.3773       16.59903      170.1701       8.558097      135.8809 6.107932 130.0676 3.289867 5.813354       6.937582 
1 1 1 19 16 26 o 44.64190 5.313385 20.91350       4.614855      20.85682       7.325392      20.96309       5.615897      44.02005 8.628121 45.26375 6.203526 -1.243698      10.62677 
1 1 1 19 16 27 o 21.98240 6.190453 2.149443       4.309512      -0.6739502     6.752253      4.973331       5.358021      20.26600 8.843080 23.69879 8.665261 -3.432781      12.38091 
1 1 1 19 16 28 o 36.38731 6.122192 14.50909       4.434908      12.87965       6.813890      16.13853       5.678241      34.09288 9.591673 38.68173 7.610831 -4.588848      12.24438 
1 1 1 19 16 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 16 30 o 42.48587 5.196300 19.43991       4.237250      17.72546       6.708330      21.15437       5.178782      39.79904 8.668792 45.17270 5.732204 -5.373657      10.39260 
1 1 1 19 16 31 o 40.41776 5.415668 18.32056       4.366897      24.15821       6.995961      12.48292       5.227666      47.47717 7.367711 33.35835 7.939436 14.11882       10.83134 
1 1 1 19 16 32 f 91.57410 3.066189 86.43112       5.674699      95.14508       9.117774      77.64632       6.762172      95.97988 4.749836 87.16832 3.878802 8.811562       6.132377 
1 1 1 19 16 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 16 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 16 35 o 19.49138 5.839051 2.405902       3.966621      4.364063       6.308055      0.4474581      4.809679      21.99008 9.002478 16.99268 7.438648 4.997395       11.67810 
1 1 1 19 16 36 o 32.44184 6.020922 13.85023       3.999918      16.23771       6.369689      11.45567       4.838726      34.83930 9.058504 30.04438 7.934072 4.794920       12.04184 
1 1 1 19 16 37 o 32.78484 5.848814 14.83498       3.928365      19.48242       6.278300      10.19462       4.724665      38.05319 8.470312 27.51649 8.067734 10.53670       11.69763 
1 1 1 19 17 0  o 20.42747 10.59476 6.172740       5.537259      6.172740       5.537259      6.172740       5.537259      20.42747 10.59476 20.42747 10.59476 0.000000       0.000000 
1 1 1 19 17 1  o 95.34768 2.829470 91.10690       5.394860      89.19408       7.594603      93.01972       7.665448      94.34550 4.024889 96.34985 3.977924 -2.004349      5.658941 
1 1 1 19 17 2  o 79.62625 3.091733 63.56229       4.923739      63.68273       6.897486      63.43477       7.027842      79.70593 4.326834 79.54658 4.417439 0.1593552      6.183466 
1 1 1 19 17 3  o 57.99558 4.108757 33.99152       4.794801      39.25531       7.403321      28.72064       6.094102      62.51204 5.921517 53.47913 5.697645 9.032902       8.217513 
1 1 1 19 17 4  o 117.0113 2.735590 137.2271       6.376774      130.7802       9.571183      143.7449       8.430575      114.2268 4.189551 119.7957 3.518730 -5.568901      5.471179 
1 1 1 19 17 5  o 196.7106 2.625443 387.8773       10.37173      405.5887       16.08894      370.1660       13.08510      201.1748 3.998746 192.2464 3.403211 8.928406       5.250887 
1 1 1 19 17 6  o 123.8463 3.266060 153.8049       8.076350      155.5052       9.975000      152.1754       12.70963      124.5622 4.004024 123.1304 5.161045 1.431839       6.532120 
1 1 1 19 17 7  o 118.6140 2.954465 141.0527       7.007296      140.8402       9.776634      141.2653       10.04585      118.5286 4.124168 118.6995 4.231630 -0.1709442     5.908930 
1 1 1 19 17 8  o 101.7512 3.994287 104.1424       8.246379      110.0226       14.63661      98.26226       7.608772      104.4898 7.003846 99.01258 3.842326 5.477257       7.988575 
1 1 1 19 17 9  o 28.94736 7.487035 7.204955       6.032466      13.51726       10.42133      0.8891070      6.079933      37.00000 12.17035 20.89472 8.723831 16.10528       14.97407 
1 1 1 19 17 10 o 64.72620 5.200396 42.77632       6.522007      51.59655       8.551013      33.94901       9.854564      71.58676 5.972482 57.86562 8.515042 13.72114       10.40079 
1 1 1 19 17 11 o 29.12564 6.924045 7.977167       4.844393      6.866314       7.474166      9.082352       6.164948      28.32995 10.24649 29.92133 9.315530 -1.591377      13.84809 
1 1 1 19 17 12 o 166.4423 3.871535 279.0592       12.72379      264.8901       21.65737      293.2282       13.34723      161.9393 6.686878 170.9453 3.903948 -9.005966      7.743071 
1 1 1 19 17 13 o 166.4930 2.815985 278.2090       9.379901      282.3181       13.70854      274.1708       12.80881      167.6954 4.087335 165.2906 3.874632 2.404724       5.631969 
1 1 1 19 17 14 o 43.31490 6.809569 19.85082       5.788759      20.67262       7.162447      19.02193       9.096521      44.40068 8.372066 42.22911 10.74195 2.171574       13.61914 
1 1 1 19 17 15 o 134.0784 2.907966 180.5844       7.800055      178.8132       11.06602      182.3555       10.98809      133.4158 4.147192 134.7410 4.077484 -1.325241      5.815933 
1 1 1 19 17 16 o 154.3053 2.686105 239.3858       8.338477      255.1843       13.00717      223.5874       10.42841      159.3520 4.081271 149.2587 3.493402 10.09332       5.372209 
1 1 1 19 17 17 o 119.1903 2.772598 142.8239       6.546094      133.3306       10.28672      152.3880       8.097604      115.1308 4.467405 123.2497 3.285040 -8.118889      5.545195 
1 1 1 19 17 18 o 100.4908 3.139406 101.8045       6.266964      93.86986       9.351563      109.6683       8.345562      96.52505 4.844112 104.4565 3.994754 -7.931465      6.278812 
1 1 1 19 17 19 o 30.71470 6.510021 9.557014       4.475290      7.984251       7.183701      11.13686       5.339601      29.06308 10.09055 32.36632 8.228140 -3.303242      13.02004 
1 1 1 19 17 20 o 72.43562 4.001594 53.08429       5.841185      55.16005       9.960832      51.01562       6.100478      73.67678 6.759817 71.19447 4.284377 2.482315       8.003188 
1 1 1 19 17 21 o 115.9046 2.828666 135.3143       6.619773      144.5242       10.83223      126.1753       7.615856      119.7362 4.523372 112.0730 3.397722 7.663216       5.657333 
1 1 1 19 17 22 o 91.70580 3.352489 84.94337       6.120315      82.18040       9.670367      87.63548       7.502505      90.11259 5.365714 93.29901 4.020678 -3.186417      6.704978 
1 1 1 19 17 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 17 24 o 86.36317 3.732447 75.80434       6.349145      70.66807       10.48509      80.90520       7.162447      83.16849 6.303522 89.55787 3.998782 -6.389381      7.464894 
1 1 1 19 17 25 f 85.72849 3.283509 74.38744       5.635734      75.30843       8.961915      73.53729       6.837267      86.10204 5.204241 85.35494 4.005198 0.7471008      6.567018 
1 1 1 19 17 26 o 54.57584 4.602703 30.70430       4.925157      27.57294       7.870899      33.82858       5.918406      51.50145 7.641435 57.65023 5.133029 -6.148781      9.205406 
1 1 1 19 17 27 o 83.00516 3.301349 70.05880       5.478457      70.17215       8.586436      69.93836       6.808930      82.91681 5.177741 83.09351 4.097149 -0.1766968     6.602699 
1 1 1 19 17 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 17 29 o 35.02857 6.119703 13.59519       4.348477      11.22896       6.715415      15.96142       5.525216      31.73788 9.690728 38.31926 7.476151 -6.581385      12.23941 
1 1 1 19 17 30 o 33.49401 6.044746 12.54668       4.134524      11.19354       6.462497      13.89982       5.158946      31.45755 9.486925 35.53046 7.493604 -4.072908      12.08949 
1 1 1 19 17 31 o 22.53289 6.297604 4.041009       4.257087      3.776048       6.678575      4.305970       5.280091      22.94977 9.307968 22.11600 8.485339 0.8337650      12.59521 
1 1 1 19 17 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 17 33 o 24.41484 6.316010 6.266256       4.281883      11.24313       6.769256      1.290799       5.246085      30.17183 9.808712 18.65786 7.959719 11.51397       12.63202 
1 1 1 19 17 34 o 56.76630 3.974023 34.82040       4.521339      36.06728       7.066098      33.56644       5.643527      57.36348 6.159057 56.16913 5.023691 1.194347       7.948047 
1 1 1 19 17 35 o 28.22694 5.770785 10.33631       3.947494      18.05135       6.313014      2.618438       4.740959      37.76430 8.555278 18.68959 7.746940 19.07471       11.54157 
1 1 1 19 17 36 o 58.17986 3.757096 37.75340       4.395235      40.36758       6.973290      35.14629       5.351645      59.55893 5.854110 56.80079 4.710890 2.758144       7.514192 
1 1 1 19 18 0  o 67.42020 4.942432 46.26190       6.592852      46.26190       6.592852      46.26190       6.592852      67.42020 4.942432 67.42020 4.942432 0.000000       0.000000 
1 1 1 19 18 1  o 33.60351 6.019240 11.83114       4.074306      13.35432       5.577641      10.30797       5.941077      35.67896 8.013098 31.52806 8.984167 4.150908       12.03848 
1 1 1 19 18 2  o 167.1894 2.374485 280.0510       7.941744      273.9583       11.05893      286.0728       11.39899      165.3821 3.343449 168.9968 3.372547 -3.614670      4.748971 
1 1 1 19 18 3  f 72.89090 3.260492 53.36768       4.750877      49.44285       6.577267      57.29958       6.857105      70.20100 4.684596 75.58079 4.536275 -5.379784      6.520984 
1 1 1 19 18 4  o 38.12953 5.792788 15.43008       4.478124      9.209873       5.622982      21.65029       6.971874      29.93051 8.809610 46.32855 7.524382 -16.39804      11.58558 
1 1 1 19 18 5  o 129.3586 2.793019 167.7614       7.226208      169.3908       9.847479      166.1319       10.57010      130.0000 3.787493 128.7173 4.105935 1.282639       5.586037 
1 1 1 19 18 6  o 68.24741 3.903761 47.26082       5.241835      56.39277       7.325392      38.12888       7.495420      74.94169 4.887394 61.55313 6.088578 13.38856       7.807522 
1 1 1 19 18 7  o 26.51829 6.888453 5.350936       4.924448      2.716913       7.183701      7.984251       6.738085      24.06358 9.697170 28.97299 9.786115 -4.909416      13.77691 
1 1 1 19 18 8  o 134.1469 3.128500 180.6552       8.373900      175.4127       12.56793      185.9686       11.07310      132.1469 4.755290 136.1468 4.066604 -3.999908      6.257000 
1 1 1 19 18 9  o 92.83379 3.584498 86.99788       6.693452      97.90804       10.31506      76.08772       8.536844      98.66193 5.227477 87.00566 4.905913 11.65627       7.168995 
1 1 1 19 18 10 o 217.4464 3.036898 474.8044       13.17012      469.7744       22.40833      479.8344       13.84315      216.0884 5.184992 218.8044 3.163362 -2.715988      6.073797 
1 1 1 19 18 11 o 229.7628 3.047182 530.2053       14.01318      533.0391       23.93150      527.3715       14.58702      230.1508 5.199093 229.3749 3.179733 0.7758179      6.094364 
1 1 1 19 18 12 o 176.2421 3.102952 312.0730       10.90307      307.6097       18.01593      316.4654       12.29164      174.8405 5.152105 177.6436 3.459634 -2.803177      6.205904 
1 1 1 19 18 13 o 54.34720 5.405963 30.01710       5.959496      32.12120       10.24421      27.90592       6.089851      56.08977 9.131980 52.60463 5.788322 3.485138       10.81193 
1 1 1 19 18 14 o 59.70137 4.305492 36.24440       5.175241      41.93326       8.019674      30.55552       6.543260      64.40178 6.226283 55.00097 5.948314 9.400814       8.610984 
1 1 1 19 18 15 o 110.3396 2.937754 122.7038       6.531217      134.5350       10.19462      110.8019       8.161365      115.6536 4.407393 105.0255 3.885419 10.62809       5.875508 
1 1 1 19 18 16 o 122.5372 2.923785 150.9711       7.148279      146.7204       10.79680      155.1509       9.372816      120.7741 4.469835 124.3002 3.770234 -3.526115      5.847571 
1 1 1 19 18 17 o 282.3796 3.029671 801.9674       17.10911      800.5505       25.90808      804.0928       22.34457      281.9375 4.594650 282.8216 3.950294 -0.8840637     6.059342 
1 1 1 19 18 18 o 96.66759 3.177279 94.15324       6.118898      89.61916       9.146112      98.68733       8.133026      94.28310 4.850346 99.05209 4.105429 -4.768997      6.354557 
1 1 1 19 18 19 o 92.72612 3.249961 86.64365       6.033884      87.77718       9.301972      85.51013       7.686701      93.27034 4.986565 92.18191 4.169312 1.088432       6.499922 
1 1 1 19 18 20 o 135.8527 2.929400 185.8269       7.977167      189.5817       12.43333      182.0721       9.989170      137.1354 4.533230 134.5699 3.711517 2.565491       5.858799 
1 1 1 19 18 21 o 78.86549 4.288850 63.17973       6.765006      61.07563       9.358648      65.27675       9.776634      77.56037 6.033137 80.17061 6.097393 -2.610237      8.577701 
1 1 1 19 18 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 18 23 o 23.74699 6.433991 -0.7325391E-01 5.222707      -9.394071      7.955913      9.252379       6.768548      17.49508 8.329706 29.99889 9.808208 -12.50381      12.86798 
1 1 1 19 18 24 o 59.25397 4.410235 35.90434       5.190826      34.65038       8.345562      37.15121       6.176282      58.00773 7.193491 60.50020 5.104349 -2.492466      8.820471 
1 1 1 19 18 25 o 32.11318 6.385126 11.43441       4.727499      19.24864       7.686701      3.622314       5.501836      41.90322 9.404000 22.32314 8.639682 19.58008       12.77025 
1 1 1 19 18 26 o 32.31632 6.535039 11.63986       4.555345      15.67095       7.311223      7.601687       5.438076      37.58769 9.671404 27.04495 8.791524 10.54273       13.07008 
1 1 1 19 18 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 18 28 o 80.46944 3.264668 66.22607       5.297094      72.12038       8.366816      60.31758       6.495794      83.92901 4.984460 77.00986 4.217508 6.919151       6.529335 
1 1 1 19 18 29 o 27.62157 6.121469 7.537927       4.169947      3.496918       6.567348      11.58319       5.140526      22.99151 9.269071 32.25163 7.998367 -9.260122      12.24294 
1 1 1 19 18 30 o 30.39893 6.302106 10.23713       4.380357      6.669365       6.845770      13.80064       5.465705      25.91331 9.739783 34.88455 8.000174 -8.971237      12.60421 
1 1 1 19 18 31 o 20.40494 6.165307 0.6569474      4.638234      5.628649       7.353730      -4.314471      5.654153      25.17330 9.929540 15.63657 7.310832 9.536724       12.33061 
1 1 1 19 18 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 18 33 o 51.51652 5.161189 30.86724       4.939326      22.86174       7.204955      38.86567       6.755795      43.22145 8.640399 59.81159 5.647564 -16.59015      10.32238 
1 1 1 19 18 34 f 19.68036 5.545053 1.169654       3.867438      -4.907445      5.814264      7.247461       5.100852      14.96768 7.123749 24.39305 8.499567 -9.425370      11.09011 
1 1 1 19 18 35 o 65.05637 3.688661 47.32458       4.867773      57.97261       7.814223      36.66946       5.807179      72.24962 5.407795 57.86312 5.018031 14.38649       7.377323 
1 1 1 19 18 36 o 19.59835 5.775640 3.736375       3.878774      2.247917       5.994919      5.224832       4.924448      18.57131 8.207030 20.62540 8.128757 -2.054089      11.55128 
1 1 1 19 19 0  o 121.8645 4.187786 149.2708       10.18045      149.2708       10.18045      149.2708       10.18045      121.8645 4.187786 121.8645 4.187786 0.000000       0.000000 
1 1 1 19 19 1  o 164.7596 3.070993 272.6831       10.17337      289.1192       15.86224      256.1762       12.73796      169.6963 4.673714 159.8230 3.985022 9.873245       6.141986 
1 1 1 19 19 2  o 113.1393 3.026319 128.5840       6.830893      136.0228       9.479085      121.0744       9.840395      116.4496 4.070038 109.8291 4.479867 6.620491       6.052637 
1 1 1 19 19 3  o 35.26352 6.412270 13.00717       4.715455      17.61211       6.478791      8.395153       6.852854      41.00579 8.189620 29.52124 9.869090 11.48455       12.82454 
1 1 1 19 19 4  o 204.9833 2.815280 421.5996       11.54068      432.3681       16.35107      410.7603       16.28731      207.6173 3.937789 202.3492 4.024554 5.268112       5.630561 
1 1 1 19 19 5  o 99.81516 3.137291 100.0334       6.265547      99.67917       8.522675      100.3876       9.181536      99.65270 4.276188 99.97762 4.591795 -0.3249207     6.274581 
1 1 1 19 19 6  o 111.6982 2.678710 125.1834       5.982875      125.0417       8.536844      125.2543       8.388069      111.6476 3.823119 111.7488 3.753092 -0.1011658     5.357419 
1 1 1 19 19 7  o 41.02704 5.344173 17.75380       4.222373      12.20662       5.881567      23.29390       6.059388      34.00280 8.630535 48.05128 6.305127 -14.04847      10.68835 
1 1 1 19 19 8  o 121.4515 2.586237 147.9956       6.282550      152.6005       9.011506      143.3906       8.756464      123.3420 3.653058 119.5611 3.661919 3.780830       5.172474 
1 1 1 19 19 9  o 123.4207 2.774768 152.8839       6.844352      155.0092       9.316141      150.7585       10.03168      124.2982 3.747497 122.5433 4.093117 1.754913       5.549535 
1 1 1 19 19 10 o 125.5592 2.628137 158.1973       6.597104      153.8049       9.344479      162.5897       9.316141      123.8094 3.773735 127.3089 3.658871 -3.499512      5.256274 
1 1 1 19 19 11 o 171.5455 2.578023 295.2827       8.820225      289.4734       13.99901      301.0920       10.73304      169.7787 4.122722 173.3123 3.096445 -3.533661      5.156046 
1 1 1 19 19 12 o 74.46600 4.168337 56.00311       6.140860      53.99820       10.64095      58.00095       6.135900      72.94572 7.293742 75.98627 4.037506 -3.040550      8.336674 
1 1 1 19 19 13 o 62.58764 5.341262 40.19047       6.456121      32.41875       10.01042      47.96218       8.154280      56.27874 8.893611 68.89654 5.917772 -12.61780      10.68252 
1 1 1 19 19 14 o 65.67665 4.577361 43.69731       5.906363      40.96976       10.12378      46.43193       6.090560      63.41363 7.982335 67.93967 4.482329 -4.526047      9.154722 
1 1 1 19 19 15 o 76.92498 4.224491 59.82875       6.436285      57.83092       11.09435      61.82658       6.523424      75.42677 7.354388 78.42319 4.159117 -2.996414      8.448981 
1 1 1 19 19 16 o 131.8956 3.285645 175.3418       8.650196      174.2791       14.97667      176.3336       8.643111      131.2525 5.705292 132.5388 3.260598 -1.286301      6.571290 
1 1 1 19 19 17 o 93.21946 3.236989 87.56464       5.989252      83.17223       9.507423      91.95705       7.282885      90.77882 5.236587 95.66010 3.806647 -4.881287      6.473979 
1 1 1 19 19 18 o 116.9936 2.964005 138.0064       6.968331      147.9247       10.72596      128.0172       8.898154      121.1749 4.425818 112.8124 3.943785 8.362541       5.928010 
1 1 1 19 19 19 o 55.68937 4.916589 31.61820       5.493335      33.06344       8.451830      30.17296       7.021466      56.88973 7.428257 54.48900 6.443012 2.400726       9.833179 
1 1 1 19 19 20 o 59.88260 4.980504 36.64112       5.984292      38.10054       9.309056      35.18880       7.523758      60.96268 7.635045 58.80251 6.397480 2.160172       9.961007 
1 1 1 19 19 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 19 22 o 59.90401 5.511621 38.29182       6.066473      26.87158       9.011506      49.71206       8.118857      49.94218 9.367608 69.86585 5.810319 -19.92367      11.02324 
1 1 1 19 19 23 o 72.65369 4.266801 53.89901       6.198953      55.08921       8.798972      52.70173       8.735210      73.46970 5.988163 71.83768 6.079824 1.632011       8.533602 
1 1 1 19 19 24 o 60.47437 4.539498 37.59045       5.458621      35.63512       8.331393      39.53869       7.051930      58.72611 7.093431 62.22261 5.666693 -3.496502      9.078997 
1 1 1 19 19 25 o 30.77394 6.227396 8.869816       4.790551      0.8692704      7.275800      16.87532       6.232958      22.09033 9.397415 39.45756 8.173765 -17.36723      12.45479 
1 1 1 19 19 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 19 27 o 33.55001 5.943775 11.76030       4.505045      5.297094       6.997378      18.22138       5.675407      25.32580 9.755492 41.77423 6.792953 -16.44843      11.88755 
1 1 1 19 19 28 o 42.61972 5.521216 20.18379       4.652403      26.35441       7.339560      14.01318       5.721456      49.79777 7.369367 35.44168 8.223608 14.35609       11.04243 
1 1 1 19 19 29 o 25.83468 6.109569 5.324015       4.446952      -1.160444      6.894653      11.80989       5.617314      19.54587 8.701387 32.12349 8.578649 -12.57761      12.21914 
1 1 1 19 19 30 o 24.27438 6.075965 1.125021       4.923739      -10.64095      7.176617      12.88674       6.743752      15.33350 7.441824 33.21527 9.606700 -17.88177      12.15193 
1 1 1 19 19 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 19 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 19 33 o 55.53590 4.165068 33.89233       4.654528      37.44876       7.204955      30.32882       5.895027      58.21067 6.188689 52.86113 5.575957 5.349545       8.330136 
1 1 1 19 19 34 o 20.11596 5.706105 2.558928       3.907820      -1.897234      5.894319      7.014381       5.132025      16.49196 7.614976 23.73997 8.500040 -7.248013      11.41221 
1 1 1 19 19 35 o 42.38789 5.430227 22.81215       4.322973      16.68404       6.544678      28.93317       5.649195      34.25040 9.311086 50.52538 5.590453 -16.27498      10.86045 
1 1 1 19 20 0  o 96.56263 5.450861 94.43663       10.45675      94.43663       10.45675      94.43663       10.45675      96.56263 5.450861 96.56263 5.450861 0.000000       0.000000 
1 1 1 19 20 1  o 65.85283 4.403711 43.73981       5.793010      43.15180       8.827310      44.33491       7.502505      65.35778 6.753067 66.34787 5.653915 -0.9900894     8.807422 
1 1 1 19 20 2  o 135.2476 3.139458 183.7724       8.501422      185.6144       13.17720      181.8596       10.74013      135.8810 4.848802 134.6143 3.989224 1.266754       6.278916 
1 1 1 19 20 3  o 92.43971 3.353717 85.93520       6.205329      89.90253       9.103605      81.96787       8.437660      94.56761 4.813279 90.31181 4.671405 4.255806       6.707435 
1 1 1 19 20 4  o 158.0630 2.697429 250.7919       8.558097      262.9065       13.23388      238.7483       10.86057      161.8318 4.088776 154.2943 3.519433 7.537537       5.394858 
1 1 1 19 20 5  o 124.6935 2.834664 156.1428       7.039886      149.1999       10.66928      163.0856       9.188620      121.8751 4.377139 127.5118 3.603045 -5.636749      5.669328 
1 1 1 19 20 6  o 139.4826 2.742537 195.2493       7.644195      192.6281       11.60444      197.8706       9.946663      138.5054 4.189167 140.4598 3.540750 -1.954483      5.485073 
1 1 1 19 20 7  o 68.54704 3.454199 47.26082       4.734583      46.25482       6.722499      48.25973       6.667948      67.81424 4.956554 69.27983 4.812330 -1.465591      6.908397 
1 1 1 19 20 8  o 65.68622 3.639941 43.42101       4.782050      43.45643       6.798304      43.39267       6.726750      65.70824 5.173098 65.66419 5.122084 0.4405212E-01  7.279882 
1 1 1 19 20 9  o 87.91636 3.063520 77.64632       5.384233      75.80434       7.630026      79.55913       7.601687      86.84784 4.392755 88.98488 4.271337 -2.137039      6.127040 
1 1 1 19 20 10 o 77.86868 3.872835 61.16064       6.029633      59.63747       8.579351      62.68381       8.473083      76.88651 5.579230 78.85084 5.372856 -1.964325      7.745669 
1 1 1 19 20 11 o 57.11163 4.389346 33.32557       5.032133      40.00627       7.743378      26.65196       6.424950      62.89643 6.155658 51.32684 6.258859 11.56959       8.778692 
1 1 1 19 20 12 o 22.09175 6.330252 2.177072       4.355562      1.479247       6.230125      2.875606       6.089143      21.54273 8.902108 22.64078 9.002269 -1.098045      12.66050 
1 1 1 19 20 13 o 70.47253 3.707954 50.15130       5.283633      53.98402       8.678535      46.31149       6.031050      73.09159 5.936753 67.85349 4.444171 5.238106       7.415908 
1 1 1 19 20 14 o 151.6629 3.145231 232.0180       9.734127      251.6421       17.05243      212.3938       9.379901      157.8468 5.401579 145.4791 3.223797 12.36768       6.290463 
1 1 1 19 20 15 o 26.45288 7.120924 4.536217       5.655571      2.763670       9.960832      6.309471       5.358729      27.23089 11.25464 25.67487 8.727163 1.556021       14.24185 
1 1 1 19 20 16 o 85.32242 4.049534 73.74983       6.753671      67.82008       11.61152      79.62997       6.899612      81.64061 7.111366 89.00423 3.876003 -7.363617      8.099069 
1 1 1 19 20 17 o 98.91965 3.785060 0.000000       0.000000      ?              ?             98.40395       7.488335      ?        ?        98.91965 3.785060 ?              ?        
1 1 1 19 20 18 o 137.3418 3.456825 190.4318       9.486169      190.5027       16.49276      190.2902       9.372816      137.0511 6.017011 137.6325 3.405017 -0.5813904     6.913651 
1 1 1 19 20 19 o 29.58193 8.091344 7.438744       7.403321      16.31564       13.35432      -1.433906      6.372524      39.84530 13.76520 19.31855 8.508739 20.52674       16.18269 
1 1 1 19 20 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 20 21 o 95.10902 3.899749 91.95705       7.431659      93.09056       12.51126      90.82352       8.005506      95.37470 6.559003 94.84334 4.220384 0.5313644      7.799497 
1 1 1 19 20 22 o 80.09543 3.648624 65.30508       5.909905      71.48279       9.564099      59.12030       6.947078      83.75824 5.709348 76.43262 4.544577 7.325623       7.297249 
1 1 1 19 20 23 o 29.79473 6.775372 7.037052       5.557804      17.37124       8.033843      -3.295009      7.679617      39.61079 10.10639 19.97866 9.026825 19.63213       13.55074 
1 1 1 19 20 24 o 62.98795 4.706366 42.15997       5.562055      27.64379       8.147196      56.68323       7.573349      51.39590 7.925920 74.58000 5.077332 -23.18410      9.412732 
1 1 1 19 20 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 20 26 o 25.07594 6.740053 5.362272       4.695619      5.036384       7.127024      5.688159       6.113231      25.19370 9.816209 24.95819 9.238792 0.2355003      13.48011 
1 1 1 19 20 27 o 27.58217 6.758570 7.219123       4.974748      13.47475       7.445828      0.9698705      6.602063      34.26283 10.15303 20.90151 8.923512 13.36132       13.51714 
1 1 1 19 20 28 o 45.60350 5.791081 23.02468       5.092351      20.53802       7.729208      25.51843       6.628983      42.18773 9.403570 49.01928 6.761608 -6.831558      11.58216 
1 1 1 19 20 29 o 29.83691 6.684055 8.756464       5.287884      17.62628       7.474166      -0.1218537     7.481250      38.70445 9.672489 20.96938 9.227639 17.73507       13.36811 
1 1 1 19 20 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 20 31 o 23.39246 6.643561 4.724665       4.881233      8.671450       7.530843      0.7750462      6.212414      27.35044 10.22823 19.43448 8.481213 7.915964       13.28712 
1 1 1 19 20 32 o 40.85352 5.575701 19.56035       4.461830      19.70204       6.838685      19.41866       5.732792      40.09132 8.769968 41.61570 6.887774 -1.524380      11.15140 
1 1 1 19 20 33 o 49.43373 4.497072 27.65796       4.448369      28.27431       6.648112      27.04160       5.912738      49.67705 6.691331 49.19041 6.010051 0.4866333      8.994144 
1 1 1 19 20 34 o 14.75146 4.971702 -4.152944      4.043134      -4.444118      6.193994      -3.861770      5.197202      15.29635 7.302221 14.20658 6.748990 1.089773       9.943404 
1 1 1 19 21 0  o 104.5367 4.727435 110.2351       9.840395      110.2351       9.840395      110.2351       9.840395      104.5367 4.727435 104.5367 4.727435 0.000000       0.000000 
1 1 1 19 21 1  o 87.51764 3.129553 76.93786       5.474207      79.70082       7.750463      74.24575       7.736294      89.07555 4.350500 85.95973 4.499952 3.115814       6.259107 
1 1 1 19 21 2  o 132.6575 2.703830 176.6170       7.190785      170.2410       9.450747      183.0639       10.83223      130.2724 3.627302 135.0426 4.010670 -4.770218      5.407661 
1 1 1 19 21 3  o 72.59615 3.541309 53.02761       5.146902      52.12788       6.874816      53.92027       7.658363      72.00249 4.774013 73.18980 5.231852 -1.187302      7.082618 
1 1 1 19 21 4  o 62.70419 4.297803 39.89292       5.324723      33.98443       7.715039      45.79432       7.339560      57.98177 6.652987 67.42660 5.442630 -9.444828      8.595607 
1 1 1 19 21 5  o 187.1245 2.834583 351.6755       10.60552      340.6236       15.06877      362.7273       14.91999      184.1676 4.091048 190.0813 3.924634 -5.913742      5.669165 
1 1 1 19 21 6  o 33.25805 5.976885 8.735210       5.343143      21.76364       7.098687      -4.287550      7.991336      46.28759 7.668024 20.22851 9.170280 26.05908       11.95377 
1 1 1 19 21 7  o 88.61576 3.576391 79.41744       6.278300      68.91111       9.061099      89.97337       8.692703      82.66063 5.480904 94.57089 4.595867 -11.91026      7.152782 
1 1 1 19 21 8  o 89.48225 3.518446 80.62181       6.298845      80.83435       9.337394      80.48012       8.451830      89.54868 5.213586 89.41584 4.726137 0.1328354      7.036892 
1 1 1 19 21 9  o 144.5522 2.833946 210.6227       8.260548      234.1433       12.97175      187.1021       10.23713      152.6058 4.250084 136.4986 3.749903 16.10724       5.667891 
1 1 1 19 21 10 o 83.61153 3.528193 70.50512       5.923365      75.09589       9.089437      65.90018       7.601687      86.30643 5.265793 80.91663 4.697235 5.389801       7.056386 
1 1 1 19 21 11 o 88.28504 3.522275 78.56730       6.188326      74.74166       9.443663      82.39294       7.998421      86.06475 5.486371 90.50533 4.418757 -4.440582      7.044549 
1 1 1 19 21 12 o 70.06345 4.090528 49.66956       5.712247      51.95785       7.658363      47.38834       8.480167      71.73427 5.338009 68.39262 6.199622 3.341644       8.181055 
1 1 1 19 21 13 o 107.0851 2.933586 115.4776       6.280425      108.5348       8.742295      122.4205       9.018591      103.8536 4.208953 110.3167 4.087593 -6.463097      5.867171 
1 1 1 19 21 14 o 84.04636 3.344214 71.34109       5.611646      78.14223       8.076350      64.52578       7.792970      88.08531 4.584391 80.00739 4.870156 8.077919       6.688427 
1 1 1 19 21 15 o 130.3665 2.866317 171.0203       7.459997      169.8867       12.05785      172.1538       8.798972      129.8074 4.644515 130.9256 3.360294 -1.118195      5.732634 
1 1 1 19 21 16 o 29.70134 6.854995 8.012589       5.067555      4.798344       8.331393      11.22188       5.772465      26.94756 10.58811 32.45511 8.709526 -5.507555      13.70999 
1 1 1 19 21 17 o 53.20319 5.198966 29.37949       5.652737      36.52069       9.294888      22.24539       6.439118      59.69450 7.785381 46.71189 6.892375 12.98260       10.39793 
1 1 1 19 21 18 o 40.21529 17.43526 4.398777       25.92225      4.398777       25.92225      ?              ?             40.21529 17.43526 ?        ?        ?              ?        
1 1 1 19 21 19 o 86.43372 5.369345 77.22124       9.309056      79.55913       16.76197      74.81251       8.125941      86.91959 9.642228 85.94785 4.727252 0.9717331      10.73869 
1 1 1 19 21 20 o 63.21037 5.931681 41.78448       7.778800      48.25265       13.99901      35.32341       6.794761      67.51797 10.36688 58.90276 5.767778 8.615208       11.86336 
1 1 1 19 21 21 o 41.07151 9.029543 16.75488       10.24421      15.94725       19.54619      17.56252       6.164238      41.60607 16.24697 40.53695 7.884583 1.069126       18.05909 
1 1 1 19 21 22 o 81.46058 4.655695 68.30183       7.594603      69.71873       13.50309      66.89202       6.954871      81.63422 8.270485 81.28693 4.277976 0.3472900      9.311391 
1 1 1 19 21 23 f 71.11405 4.062160 52.24832       5.878025      61.41568       9.557014      43.07387       6.845061      77.26926 6.184228 64.95884 5.268768 12.31042       8.124321 
1 1 1 19 21 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 21 25 o 26.43560 7.043169 6.340643       5.201453      7.044845       8.713958      5.635734       5.688159      28.32823 10.89183 24.54297 8.932692 3.785261       14.08634 
1 1 1 19 21 26 o 87.55563 3.444180 79.06322       5.894319      67.97595       9.117774      90.18591       7.474166      80.99098 5.628883 94.12027 3.970540 -13.12929      6.888361 
1 1 1 19 21 27 o 33.28613 6.752892 12.53251       4.997419      8.118857       7.438744      16.94617       6.674324      28.00383 10.21294 38.56842 8.837537 -10.56458      13.50578 
1 1 1 19 21 28 o 69.89275 4.137941 51.42651       5.737751      47.23248       8.551013      55.62054       7.651280      66.69641 6.410400 73.08907 5.234216 -6.392662      8.275883 
1 1 1 19 21 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 21 30 o 101.7107 3.616961 109.5266       7.318307      97.90804       10.37173      121.1453       10.33631      95.98943 5.402540 107.4320 4.810632 -11.44253      7.233921 
1 1 1 19 21 31 o 66.61167 4.204520 48.35892       5.590393      47.60087       8.331393      49.11697       7.459997      65.71399 6.339132 67.50935 5.525158 -1.795364      8.409040 
1 1 1 19 21 32 o 68.70226 4.251962 52.64505       5.847561      49.11697       7.934660      56.17315       8.593520      66.44708 5.970661 70.95744 6.055405 -4.510361      8.503924 
1 1 1 19 21 33 o 34.60432 6.206986 16.28731       4.459704      21.16854       6.354813      11.41316       6.259171      40.81917 8.071287 28.38946 9.431914 12.42971       12.41397 
1 1 1 19 21 34 o 19.12288 5.888959 2.935824       4.298177      5.865981       6.401570      0.6404404E-02  5.738459      21.50784 8.963900 16.73792 7.639888 4.769917       11.77792 
1 1 1 19 22 0  o 139.5358 3.617819 195.4619       10.08127      195.4619       10.08127      195.4619       10.08127      139.5358 3.617819 139.5358 3.617819 0.000000       0.000000 
1 1 1 19 22 1  o 133.9128 3.483114 181.0803       9.103605      200.5627       10.28672      161.5978       15.02626      141.3493 3.638759 126.4762 5.940351 14.87307       6.966228 
1 1 1 19 22 2  o 100.4632 2.885972 101.4503       5.796553      97.90804       8.196787      104.9926       8.196787      98.70028 4.152363 102.2262 4.009142 -3.525917      5.771944 
1 1 1 19 22 3  f 158.9054 2.555894 253.4841       8.118857      252.6339       11.44858      254.3342       11.52651      158.6400 3.608352 159.1709 3.620798 -0.5308380     5.111789 
1 1 1 19 22 4  o 23.22728 6.420763 3.449452       4.320138      3.559970       6.139443      3.338225       6.078516      23.37852 9.110385 23.07605 9.050175 0.3024731      12.84153 
1 1 1 19 22 5  o 27.41483 6.617314 7.079559       4.407279      9.195704       6.446911      4.966247       6.010505      30.09385 9.552505 24.73581 9.159968 5.358038       13.23463 
1 1 1 19 22 6  o 72.88071 3.663737 53.55187       5.344560      52.20581       7.254546      54.89084       7.849646      71.98258 5.039099 73.77885 5.319714 -1.796265      7.327474 
1 1 1 19 22 7  o 136.5399 2.807891 187.3147       7.672533      183.5599       10.29380      191.0694       11.38482      135.1967 3.806973 137.8830 4.128434 -2.686340      5.615783 
1 1 1 19 22 8  o 43.91394 5.714235 20.44592       4.815347      26.72989       6.799012      14.15487       6.820265      51.36705 6.618067 36.46084 9.317247 14.90621       11.42847 
1 1 1 19 22 9  o 47.03983 5.383815 22.89716       4.935075      24.93042       6.959831      20.87099       6.998795      49.53743 7.024820 44.54224 8.160501 4.995193       10.76763 
1 1 1 19 22 10 o 171.8194 3.406058 298.6833       11.51943      263.0482       17.64754      334.3184       14.80664      161.3299 5.469393 182.3088 4.060868 -20.97893      6.812115 
1 1 1 19 22 11 o 22.40188 6.640344 -0.1893692     5.294969      5.256004       8.012589      -5.634317      6.926533      27.07465 10.43712 17.72911 8.212377 9.345535       13.28069 
1 1 1 19 22 12 o 145.7457 3.184696 213.8816       9.280719      213.7399       12.98592      214.0233       13.26930      145.7079 4.456150 145.7834 4.551033 -0.7556152E-01 6.369393 
1 1 1 19 22 13 o 58.63453 4.860314 34.99752       5.695952      34.84874       8.671450      35.13921       7.389152      58.42767 7.420670 58.84138 6.278874 -0.4137039     9.720628 
1 1 1 19 22 14 o 141.1131 3.034280 200.5627       8.579351      204.6717       13.19137      196.5245       10.96683      142.4626 4.629766 139.7636 3.923351 2.699005       6.068560 
1 1 1 19 22 15 o 54.00109 5.852752 30.57678       5.975082      25.43342       9.181536      35.71305       7.651280      48.73064 9.765203 59.27154 6.454429 -10.54090      11.70550 
1 1 1 19 22 16 o 61.74385 5.609983 39.49619       6.982501      45.87225       10.88182      33.12012       8.749379      66.71132 8.155902 56.77639 7.705122 9.934933       11.21997 
1 1 1 19 22 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 22 18 o 66.85149 4.973327 45.93601       6.667239      47.93385       10.16628      43.93110       8.628942      68.19972 7.453318 65.50326 6.586652 2.696465       9.946654 
1 1 1 19 22 19 o 24.08790 6.895434 2.962037       5.284342      6.650237       8.451830      -0.7268715     6.350562      28.45550 10.78829 19.72030 8.590745 8.735197       13.79087 
1 1 1 19 22 20 o 75.69876 3.942990 58.41185       5.944619      57.25708       9.564099      59.56663       7.066098      74.72269 6.399729 76.67483 4.607835 -1.952133      7.885979 
1 1 1 19 22 21 o 52.47512 6.738935 30.27923       7.254546      37.98010       13.00717      22.58544       6.436993      58.18649 11.58813 46.76375 6.882461 11.42274       13.47787 
1 1 1 19 22 22 o 71.93853 5.179593 53.86359       7.403321      53.77857       13.00717      53.95568       7.072474      71.08040 9.149622 72.79666 4.857691 -1.716263      10.35919 
1 1 1 19 22 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 22 24 o 64.51495 5.373882 44.51911       7.261631      53.95568       12.97884      35.08253       6.517756      70.66233 9.183702 58.36756 5.583373 12.29477       10.74776 
1 1 1 19 22 25 o 59.53675 8.001664 41.01936       8.969000      32.96426       16.56360      49.07445       6.874108      49.99753 15.21014 69.07597 4.975759 -19.07845      16.00333 
1 1 1 19 22 26 o 93.27718 3.335003 89.76084       6.269798      96.42028       10.05293      83.03055       7.502505      96.46664 5.210573 90.08771 4.164001 6.378937       6.670005 
1 1 1 19 22 27 o 18.80752 5.916947 -1.965954      4.673656      -5.217039      7.297054      1.284423       5.837643      17.75651 8.303292 19.85854 8.431868 -2.102028      11.83389 
1 1 1 19 22 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 22 29 o 98.33653 3.614257 102.4421       7.031384      93.94070       10.69762      110.8727       9.124859      93.59247 5.715002 103.0806 4.426080 -9.488129      7.228515 
1 1 1 19 22 30 o 20.58679 6.196874 0.9429494      4.822432      -3.781715      7.325392      5.666906       6.273340      17.78285 8.317082 23.39074 9.188642 -5.607883      12.39375 
1 1 1 19 22 31 o 59.12870 4.896060 40.28965       5.746252      34.55119       8.019674      46.02103       8.232210      54.39196 7.372114 63.86545 6.444963 -9.473495      9.792120 
1 1 1 19 22 32 o 23.98797 6.852578 7.169532       5.129899      6.094810       7.545012      8.246379       6.949912      23.12806 9.691008 24.84789 9.691010 -1.719822      13.70516 
1 1 1 19 22 33 o 22.08185 6.440359 6.189034       4.639651      6.175574       7.042011      6.201787       6.042386      22.18048 9.331289 21.98322 8.879185 0.1972618      12.88072 
1 1 1 19 23 0  o 124.4438 3.859447 155.6469       9.585353      155.6469       9.585353      155.6469       9.585353      124.4438 3.859447 124.4438 3.859447 0.000000       0.000000 
1 1 1 19 23 1  o 123.6045 2.706511 153.4507       6.692744      150.8294       9.443663      156.0719       9.479085      122.5451 3.853137 124.6638 3.801859 -2.118706      5.413022 
1 1 1 19 23 2  o 71.41368 3.815824 51.44069       5.443744      50.64722       8.083434      52.23415       7.297054      70.82685 5.706476 72.00050 5.067363 -1.173653      7.631647 
1 1 1 19 23 3  o 150.2715 2.647115 227.3422       7.962997      250.2960       11.80281      204.3884       10.69762      157.8780 3.737951 142.6650 3.749212 15.21306       5.294230 
1 1 1 19 23 4  o 42.42887 5.860111 18.99359       4.793385      18.29222       7.019340      19.68787       6.530509      41.53306 8.727137 43.32467 7.823086 -1.791611      11.72022 
1 1 1 19 23 5  o 117.3312 2.812826 138.4315       6.609855      145.7285       9.727042      131.2053       8.947746      120.4006 4.039450 114.2618 3.915459 6.138824       5.625653 
1 1 1 19 23 6  o 84.69705 3.333212 72.33293       5.642818      75.23758       7.913406      69.39285       8.040927      86.42741 4.578065 82.96668 4.845878 3.460732       6.666424 
1 1 1 19 23 7  o 72.76813 3.624330 53.52353       5.268756      57.45544       7.523758      49.59163       7.374983      75.46294 4.985068 70.07330 5.262335 5.389641       7.248660 
1 1 1 19 23 8  o 66.84622 3.954600 45.70931       5.195786      35.79807       7.304138      55.61347       7.396237      59.43983 6.144144 74.25260 4.980456 -14.81277      7.909200 
1 1 1 19 23 9  o 62.74954 4.617484 39.97794       5.759713      37.34249       8.664365      42.62046       7.587519      60.58791 7.150243 64.91117 5.844540 -4.323265      9.234967 
1 1 1 19 23 10 o 90.82166 3.728592 83.31393       6.774924      85.36844       9.911241      81.25941       9.245295      91.92153 5.391142 89.72179 5.152202 2.199745       7.457184 
1 1 1 19 23 11 o 134.9388 2.992579 183.4890       8.055097      193.4782       11.00226      173.4998       11.76030      138.6714 3.967026 131.2062 4.481608 7.465118       5.985157 
1 1 1 19 23 12 o 72.35075 4.484206 53.41018       6.476666      60.55138       9.493254      46.26899       8.813140      77.24360 6.145010 67.45792 6.532324 9.785683       8.968411 
1 1 1 19 23 13 o 30.14560 7.157023 8.699788       5.233334      11.78155       7.275800      5.611646       7.523758      33.43314 10.06289 26.85806 10.17989 6.575083       14.31405 
1 1 1 19 23 14 o 66.42944 4.930433 45.10004       6.550345      43.89567       9.188620      46.31149       9.337394      65.53197 7.010792 67.32692 6.934369 -1.794952      9.860866 
1 1 1 19 23 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 23 16 o 46.65525 7.252451 24.17237       6.670782      30.02419       10.40716      18.31348       8.345562      52.48189 10.28158 40.82861 10.23139 11.65329       14.50490 
1 1 1 19 23 17 o 74.30452 4.518908 57.31376       6.716123      71.48279       10.35048      43.15180       8.558097      83.68151 6.184449 64.92753 6.590500 18.75398       9.037816 
1 1 1 19 23 18 o 114.0346 3.388924 131.9137       7.693786      123.3415       11.36357      140.4860       10.37173      110.2070 5.155557 117.8623 4.399939 -7.655273      6.777848 
1 1 1 19 23 19 o 100.7688 3.553834 103.3631       7.112856      95.35760       10.59135      111.3686       9.500339      96.70769 5.475963 104.8299 4.531310 -8.122238      7.107667 
1 1 1 19 23 20 o 74.36517 4.216194 56.74699       6.283259      59.43911       9.386987      54.04779       8.352647      76.06724 6.170190 72.66312 5.747515 3.404121       8.432388 
1 1 1 19 23 21 o 71.58094 4.399987 52.95677       6.220915      47.72839       9.443663      58.17806       8.104689      67.76503 6.967947 75.39685 5.374687 -7.631821      8.799974 
1 1 1 19 23 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 23 23 f 59.67894 5.452620 37.94468       6.482334      31.22855       8.728126      44.65372       9.585353      54.21364 8.049750 65.14423 7.357023 -10.93059      10.90524 
1 1 1 19 23 24 o 62.01705 5.333800 41.24606       6.574432      34.44493       9.018591      48.05429       9.571183      56.65066 7.959828 67.38345 7.102029 -10.73278      10.66760 
1 1 1 19 23 25 o 38.35804 8.065479 18.31348       7.046261      22.64920       12.56793      13.97775       6.375357      41.90257 13.34120 34.81352 9.067537 7.089043       16.13096 
1 1 1 19 23 26 o 27.08974 7.810628 6.340643       6.896070      7.700871       12.00826      4.982541       6.789093      29.93376 12.36365 24.24572 9.547978 5.688034       15.62126 
1 1 1 19 23 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 23 28 o 25.20780 7.708111 4.841560       7.502505      5.727124       13.38974      3.955995       6.779175      27.86396 12.29571 22.55165 9.299218 5.312315       15.41622 
1 1 1 19 23 29 o 32.91747 6.380440 11.90907       5.666197      0.7991336      9.018591      23.01760       6.864190      21.90490 9.845735 43.93004 8.117978 -22.02514      12.76088 
1 1 1 19 23 30 o 57.95862 5.089771 38.80191       5.835517      39.16322       9.748297      38.44768       6.421407      56.49896 8.626970 59.41828 5.403562 -2.919323      10.17954 
1 1 1 19 23 31 o 16.87347 5.599614 -2.387482      4.798344      -2.375439      7.970083      -2.398818      5.347394      18.39231 8.618032 15.35463 7.152080 3.037675       11.19923 
1 1 1 19 23 32 o 26.07644 6.268106 9.606606       4.723957      20.70096       7.863815      -1.487749      5.239001      36.70513 10.29694 15.44775 7.150499 21.25738       12.53621 
1 1 1 19 24 0  o 193.4301 4.266019 375.9045       16.48567      375.9045       16.48567      375.9045       16.48567      193.4301 4.266019 193.4301 4.266019 0.000000       0.000000 
1 1 1 19 24 1  o 43.57383 5.706684 20.01376       4.789134      19.67370       6.751545      20.34674       6.794053      43.19141 8.114519 43.95625 8.026178 -0.7648430     11.41337 
1 1 1 19 24 2  o 38.96909 6.219584 16.24480       4.755128      19.09278       6.720373      13.38974       6.729583      42.52578 8.193930 35.41241 9.359081 7.113377       12.43917 
1 1 1 19 24 3  o 134.8937 2.868589 183.2765       7.764632      169.1074       10.17337      197.4455       11.73196      129.6965 3.921990 140.0909 4.187269 -10.39435      5.737179 
1 1 1 19 24 4  o 165.6327 2.644175 275.6586       8.756464      268.4324       12.23496      282.9556       12.53960      163.4503 3.742717 167.8151 3.736135 -4.364807      5.288349 
1 1 1 19 24 5  o 27.38963 6.533762 6.164948       4.699161      0.3516755      6.631108      11.97992       6.659447      21.15195 8.984015 33.62731 9.489345 -12.47536      13.06752 
1 1 1 19 24 6  o 109.3440 2.965663 120.2951       6.483750      121.4995       9.117774      119.0907       9.224042      109.8986 4.148265 108.7894 4.239401 1.109207       5.931326 
1 1 1 19 24 7  o 62.80473 4.324007 40.02044       5.438076      37.81715       7.374983      42.22372       7.991336      61.08550 6.036607 64.52395 6.192535 -3.438450      8.648013 
1 1 1 19 24 8  o 29.80263 6.456802 7.913406       4.881233      15.63553       6.878358      0.1888024      6.927950      38.18331 9.119321 21.42195 9.143257 16.76136       12.91360 
1 1 1 19 24 9  o 59.47581 4.654017 35.98227       5.536551      36.32941       7.792970      35.62804       7.863815      59.77522 6.518562 59.17641 6.644384 0.5988159      9.308034 
1 1 1 19 24 10 o 111.1759 3.193377 124.6167       7.098687      128.3715       10.24421      120.8619       9.840395      112.8467 4.538995 109.5051 4.493123 3.341629       6.386755 
1 1 1 19 24 11 o 109.4215 3.625877 121.0036       7.920490      123.4123       10.43549      118.6657       11.92324      110.5844 4.718340 108.2587 5.506832 2.325737       7.251754 
1 1 1 19 24 12 o 23.68203 7.026014 0.4132399E-01  5.907779      -5.224123      8.317224      5.307012       8.388069      20.04350 9.169038 27.32056 10.64839 -7.277067      14.05203 
1 1 1 19 24 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 24 14 o 78.70889 4.548129 63.70398       7.148279      54.98294       9.705790      72.40377       10.49217      73.24690 6.625393 84.17087 6.232662 -10.92397      9.096258 
1 1 1 19 24 15 o 106.0915 3.508260 114.1316       7.424574      120.0826       10.15211      108.1806       10.83223      108.9418 4.659420 103.2412 5.246079 5.700630       7.016520 
1 1 1 19 24 16 f 32.42479 7.453267 10.93850       5.567723      11.80281       7.495420      10.07418       8.232210      33.23085 10.25676 31.61872 10.81683 1.612122       14.90653 
1 1 1 19 24 17 o 28.65404 7.260661 7.537927       5.377857      9.542846       7.233293      5.531591       7.962997      30.43546 10.13933 26.87261 10.39532 3.562847       14.52132 
1 1 1 19 24 18 o 51.33469 5.765135 28.55769       5.733500      19.97834       7.353730      37.12996       8.798972      42.84039 8.881109 59.82898 7.353436 -16.98860      11.53027 
1 1 1 19 24 19 o 85.62424 3.646952 74.88335       6.303096      80.48012       10.20170      69.31492       7.403321      88.61384 5.756271 82.63464 4.479551 5.979202       7.293904 
1 1 1 19 24 20 o 86.65559 5.231946 78.99238       9.153197      87.49380       14.49492      70.59014       11.17229      90.97938 7.966050 82.33179 6.784915 8.647583       10.46389 
1 1 1 19 24 21 f 76.49207 4.652704 61.16772       7.183701      65.51054       11.86657      56.82492       8.104689      78.71054 7.538105 74.27360 5.455969 4.436943       9.305408 
1 1 1 19 24 22 o 33.45485 7.703897 12.49709       5.994919      12.46167       9.429493      12.53251       7.403321      33.58458 11.57029 33.32511 10.17490 0.2594681      15.40779 
1 1 1 19 24 23 o 29.93845 7.403237 8.699788       5.935409      1.902193       8.175533      15.49384       8.607689      23.47818 9.973886 36.39872 10.94318 -12.92054      14.80647 
1 1 1 19 24 24 o 86.70076 4.837127 80.69266       8.487252      71.12856       10.01042      90.25676       13.71563      82.11930 6.095049 91.28223 7.512759 -9.162926      9.674253 
1 1 1 19 24 25 o 43.24298 7.110417 22.71296       6.974707      38.44768       10.52051      6.977541       9.153197      58.69413 8.962148 27.79183 11.04138 30.90229       14.22083 
1 1 1 19 24 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 24 27 o 34.38822 8.431820 11.35648       10.14503      3.107978       18.66062      19.60995       7.962997      29.30243 13.53737 39.47401 10.05593 -10.17158      16.86364 
1 1 1 19 24 28 o 40.87835 8.926518 25.58928       9.804973      28.00510       18.11511      23.17346       7.516674      38.41788 15.43319 43.33883 8.974837 -4.920952      17.85304 
1 1 1 19 24 29 o 17.42810 6.042906 -5.425323      6.285384      -1.254668      11.25021      -9.599521      5.603145      22.14997 10.33918 12.70623 6.258449 9.443733       12.08581 
1 1 1 19 24 30 o 18.08595 6.037415 -2.811136      5.985709      -4.490167      10.64095      -1.132814      5.481292      19.84010 9.495053 16.33181 7.459589 3.508297       12.07483 
1 1 1 19 24 31 o 20.18662 6.071253 3.652069       4.424282      2.434240       6.927950      4.869897       5.504670      19.64313 8.734177 20.73011 8.435319 -1.086983      12.14251 
1 1 1 19 25 0  o 16.34526 10.22898 1.983665       6.704079      1.983665       6.704079      1.983665       6.704079      16.34526 10.22898 16.34526 10.22898 0.000000       0.000000 
1 1 1 19 25 1  o 62.19185 4.250848 39.22697       5.287884      38.57520       7.360813      39.87875       7.594603      61.68157 5.966785 62.70213 6.056097 -1.020557      8.501697 
1 1 1 19 25 2  o 64.54507 4.297015 42.79757       5.472082      33.20514       7.523758      52.39001       7.948828      57.13930 6.583698 71.95085 5.523791 -14.81155      8.594030 
1 1 1 19 25 3  o 193.3388 2.715411 376.1170       10.49926      361.5938       14.55868      390.6403       15.13961      189.6049 3.839217 197.0726 3.841126 -7.467743      5.430822 
1 1 1 19 25 4  o 80.18218 3.718926 65.07838       5.950287      69.81084       8.359732      60.34592       8.465999      83.13876 5.027577 77.22561 5.481342 5.913147       7.437852 
1 1 1 19 25 5  o 103.5330 3.236851 108.1806       6.698411      116.1152       9.670367      100.3168       9.273635      107.3300 4.504970 99.73593 4.649094 7.594055       6.473703 
1 1 1 19 25 6  o 92.52646 3.497527 86.43112       6.473125      86.07689       9.110690      86.78535       9.195704      92.33915 4.933276 92.71376 4.959191 -0.3746109     6.995054 
1 1 1 19 25 7  o 74.23207 4.185095 56.03145       6.196119      50.01670       8.643111      62.04621       8.876901      70.19449 6.156546 78.26965 5.670717 -8.075157      8.370191 
1 1 1 19 25 8  f 94.29515 4.212649 90.32761       7.856731      83.38477       12.24913      97.34127       9.840395      90.44646 6.771482 98.14384 5.013252 -7.697372      8.425299 
1 1 1 19 25 9  o 110.6418 3.815412 124.0499       8.437660      123.9082       12.85132      124.2624       10.94558      110.4417 5.818143 110.8419 4.937476 -0.4001312     7.630823 
1 1 1 19 25 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 25 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 25 12 o 49.96042 6.333079 26.43942       6.191869      27.21872       8.614774      25.66721       8.898154      51.17780 8.416514 48.74304 9.465402 2.434761       12.66616 
1 1 1 19 25 13 o 48.80222 6.922505 25.53260       6.607021      28.10428       8.444746      22.95384       10.16628      52.09060 8.105825 45.51385 11.22408 6.576740       13.84501 
1 1 1 19 25 14 o 34.11664 7.306839 12.40499       5.528049      9.294888       7.877984      15.50801       7.750463      30.59993 10.57241 37.63335 10.08879 -7.033421      14.61368 
1 1 1 19 25 15 o 25.98714 7.138147 5.013005       5.324723      4.406570       7.424574      5.618731       7.630026      25.32926 9.981623 26.64503 10.20685 -1.315771      14.27629 
1 1 1 19 25 16 o 37.21307 7.036231 15.31673       5.349519      13.80064       7.318307      16.83990       7.807138      35.41904 9.932474 39.00709 9.968959 -3.588051      14.07246 
1 1 1 19 25 17 o 30.95885 7.329473 9.882903       5.584725      4.483083       7.053346      15.27422       8.664365      24.87575 9.750351 37.04194 10.94602 -12.16619      14.65895 
1 1 1 19 25 18 o 19.84398 6.297905 -2.528464      5.211371      -1.948951      7.105771      -3.107978      7.622942      19.81893 8.827966 19.86904 8.984513 -0.5011749E-01 12.59581 
1 1 1 19 25 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 25 20 o 42.45605 6.902087 20.53093       5.789468      24.90208       8.869816      16.15978       7.445828      47.10477 9.745125 37.80734 9.776900 9.297424       13.80417 
1 1 1 19 25 21 o 92.82889 3.877882 89.33577       7.233293      98.82903       11.12269      79.91336       9.266549      97.63441 5.696093 88.02335 5.263688 9.611061       7.755764 
1 1 1 19 25 22 o 81.80727 4.721730 70.61139       7.594603      64.34867       11.97283      76.86702       9.351563      77.46438 7.727962 86.15016 5.427479 -8.685783      9.443460 
1 1 1 19 25 23 o 28.42770 7.375360 7.821308       5.921240      4.974748       9.769550      10.66928       6.698411      26.54904 11.06985 30.30636 9.748957 -3.757320      14.75072 
1 1 1 19 25 24 f 49.80733 6.897354 28.61437       6.692035      27.40292       11.16520      29.81874       7.382068      46.87094 11.88786 52.74372 6.998053 -5.872787      13.79471 
1 1 1 19 25 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 25 26 o 54.99673 6.367632 35.69180       6.580809      32.42584       10.80389      38.95068       7.523758      50.09215 11.07912 59.90131 6.280128 -9.809158      12.73526 
1 1 1 19 25 27 o 36.87887 7.197289 17.86007       5.489084      18.40558       8.076350      17.30748       7.431659      37.22752 10.43246 36.53021 9.918045 0.6973076      14.39458 
1 1 1 19 25 28 o 23.46399 6.765579 5.722165       5.072515      8.465999       7.537927      2.975497       6.792635      25.95407 10.09876 20.97392 9.005960 4.980145       13.53116 
1 1 1 19 25 29 o 20.77213 6.354981 3.231957       4.893277      2.320888       7.261631      4.142318       6.560972      20.35987 9.010477 21.18439 8.964065 -0.8245201     12.70996 
1 1 1 19 25 30 o 29.80001 8.329990 18.15762       8.685618      23.92442       16.07477      12.38374       6.585768      30.90262 13.56289 28.69739 9.674870 2.205233       16.65998 
1 1 1 19 26 0  o 41.02560 11.28904 20.55927       7.998421      20.55927       7.998421      20.55927       7.998421      41.02560 11.28904 41.02560 11.28904 0.000000       0.000000 
1 1 1 19 26 1  o 24.78128 6.781119 0.7127025      5.615897      10.25130       8.076350      -8.827310      7.807138      31.97600 10.71394 17.58655 8.315398 14.38944       13.56224 
1 1 1 19 26 2  o 124.8216 3.245251 157.2763       8.097604      163.5107       11.61152      151.0419       11.29981      127.3036 4.560565 122.3397 4.618211 4.963905       6.490503 
1 1 1 19 26 3  o 32.46001 7.683132 10.61969       5.871648      11.34231       8.331393      9.897071       8.281801      33.23523 10.88180 31.68480 10.84936 1.550436       15.36626 
1 1 1 19 26 4  o 23.46599 7.113770 0.1364478      5.987834      1.432489       8.586436      -1.159736      8.345562      24.49918 10.30517 22.43280 9.809504 2.066378       14.22754 
1 1 1 19 26 5  o 74.07684 4.989741 56.43527       7.325392      49.46410       10.61261      63.40643       10.09544      69.32646 7.654081 78.82721 6.403524 -9.500748      9.979483 
1 1 1 19 26 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 26 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 26 8  o 56.74955 7.214968 34.66455       7.927575      32.24164       12.24913      37.09454       10.06710      53.79772 11.71058 59.70137 8.431213 -5.903656      14.42994 
1 1 1 19 26 9  o 25.89197 7.401934 3.730707       5.936118      4.485917       8.706873      2.976206       8.076350      26.84551 10.73474 24.93842 10.19411 1.907091       14.80387 
1 1 1 19 26 10 o 55.13031 6.103472 31.63946       6.739501      30.47051       8.919409      32.80132       10.10961      54.21281 8.226293 56.04781 9.018736 -1.834999      12.20694 
1 1 1 19 26 11 o 25.13008 7.089977 3.521714       5.464997      5.957372       7.580434      1.086057       7.870899      27.03021 10.22608 23.22995 9.823361 3.800259       14.17995 
1 1 1 19 26 12 o 91.44214 3.581307 84.94337       6.552470      82.25125       9.089437      87.56464       9.436578      90.01551 5.048817 92.86877 5.080598 -2.853256      7.162613 
1 1 1 19 26 13 o 83.76234 4.663130 74.10406       7.261631      99.11240       9.500339      49.12404       10.98100      98.82693 4.806553 68.69776 7.992257 30.12917       9.326260 
1 1 1 19 26 14 o 46.87438 6.105066 24.56911       5.440201      36.10270       7.693786      13.02843       7.693786      59.23509 6.494281 34.51367 10.33981 24.72142       12.21013 
1 1 1 19 26 15 o 26.11533 6.968101 5.092351       5.203578      9.216957       7.396237      0.9642029      7.318307      30.00478 10.25291 22.22587 9.439042 7.778902       13.93620 
1 1 1 19 26 16 o 20.12673 6.335012 -2.131023      5.188701      -3.956703      7.346645      -0.3057678     7.332476      18.99889 8.663960 21.25457 9.244745 -2.255682      12.67002 
1 1 1 19 26 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 26 18 f 43.30618 7.296454 21.47317       6.247128      19.06444       8.508506      23.88899       9.146112      40.79424 10.39611 45.81811 10.24080 -5.023872      14.59291 
1 1 1 19 26 19 o 41.27909 7.416689 19.68787       6.172032      22.36582       8.713958      17.01701       8.742295      44.26643 10.06721 38.29175 10.89405 5.974686       14.83338 
1 1 1 19 26 20 o 90.09276 3.984510 84.23491       7.183701      88.13139       10.53468      80.26759       9.776634      92.15121 5.715974 88.03431 5.552742 4.116898       7.969021 
1 1 1 19 26 21 o 56.19996 5.423430 34.60078       5.721456      28.80565       8.862731      40.40301       7.233293      50.27936 9.151990 62.12056 5.821980 -11.84120      10.84686 
1 1 1 19 26 22 o 18.23506 5.853107 -9.493254      5.560638      -21.39524      8.862731      2.405194       6.713998      14.62342 7.304911 21.84669 9.147335 -7.223279      11.70621 
1 1 1 19 26 23 o 52.97634 6.468254 33.84983       6.772799      43.30766       10.74013      24.39199       8.253463      61.12141 8.785897 44.83127 9.495327 16.29014       12.93651 
1 1 1 19 26 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 26 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 26 26 f 56.06358 5.443895 36.16647       6.100478      37.82424       10.11669      34.50869       6.817431      55.95673 9.039745 56.17044 6.068522 -0.2137108     10.88779 
1 1 1 19 26 27 o 36.02681 6.316561 16.39357       5.336059      8.721042       8.628942      24.06610       6.277591      26.27131 10.61095 45.78231 6.855914 -19.51100      12.63312 
1 1 1 19 26 28 o 36.41059 5.908043 16.87532       5.340310      5.332517       8.699788      28.41600       6.194703      23.03843 10.04539 49.78275 6.221736 -26.74432      11.81609 
1 1 1 19 26 29 o 20.81254 6.481987 4.092017       5.275132      7.849646       8.402238      0.3375064      6.383859      23.80947 10.11282 17.81561 8.111437 5.993853       12.96397 
1 1 1 19 27 0  o 30.52842 14.07358 14.24696       9.379901      14.24696       9.379901      14.24696       9.379901      30.52842 14.07358 30.52842 14.07358 0.000000       0.000000 
1 1 1 19 27 1  o 65.42110 5.657997 45.26299       7.212039      58.34809       10.48509      32.18496       9.904156      75.35464 6.957160 55.48756 8.924664 19.86708       11.31599 
1 1 1 19 27 2  o 36.84414 7.288650 13.98484       6.456830      2.313095       8.770633      25.65304       9.479085      25.22431 10.50124 48.46397 10.11047 -23.23966      14.57730 
1 1 1 19 27 3  o 36.53270 7.557487 14.11236       6.368274      5.991377       8.735210      22.23122       9.266549      28.10548 10.88451 44.95991 10.48761 -16.85442      15.11497 
1 1 1 19 27 4  o 74.35806 5.489318 58.24182       7.700871      41.34525       11.66820      75.16674       10.06001      62.82508 9.286260 85.89104 5.856266 -23.06596      10.97864 
1 1 1 19 27 5  o 56.56675 5.473017 33.04219       6.192576      33.24055       8.565183      32.84383       8.940661      56.78165 7.542210 56.35186 7.932890 0.4297943      10.94603 
1 1 1 19 27 6  f 100.1915 3.734676 101.9462       7.481250      103.5757       10.21588      100.2459       10.92433      101.0732 5.053704 99.30993 5.500118 1.763222       7.469352 
1 1 1 19 27 7  f 46.47825 6.542365 23.18054       5.967998      18.84482       8.317224      27.51627       8.558097      41.46979 10.10633 51.48672 8.310976 -10.01693      13.08473 
1 1 1 19 27 8  o 73.90056 4.652825 55.96061       6.867732      54.86959       10.20879      57.05162       9.188620      73.06724 6.985888 74.73387 6.147560 -1.666634      9.305650 
1 1 1 19 27 9  o 78.06035 4.233078 62.97428       6.529800      76.79617       9.528677      49.17363       8.933578      86.85419 5.485445 69.26651 6.448699 17.58768       8.466157 
1 1 1 19 27 10 o 56.09789 5.955876 33.76481       6.504296      25.51135       8.423491      42.01119       9.918325      48.59711 9.004855 63.59866 7.797590 -15.00154      11.91175 
1 1 1 19 27 11 o 37.35654 7.239598 15.42300       5.631483      18.24972       7.941744      12.58919       7.991336      40.64508 9.857057 34.06800 10.60592 6.577087       14.47920 
1 1 1 19 27 12 o 24.16246 6.405122 -0.9309056     5.392735      11.93033       7.736294      -13.78647      7.516674      33.20112 10.45523 15.12380 7.402068 18.07733       12.81024 
1 1 1 19 27 13 o 71.51821 4.555603 53.14805       6.533343      43.89567       8.458915      62.40044       9.960832      65.23136 6.483779 77.80506 6.401146 -12.57370      9.111206 
1 1 1 19 27 14 o 49.83544 6.457080 27.19038       6.241460      32.64546       8.919409      21.73530       8.735210      55.66502 8.011682 44.00586 10.12860 11.65916       12.91416 
1 1 1 19 27 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 27 16 f 23.52079 6.855059 -2.541217      6.171323      -15.16087      8.295970      10.08127       9.139028      15.72957 7.720244 31.31202 11.32984 -15.58245      13.71012 
1 1 1 19 27 17 o 76.29170 4.317722 60.40260       6.585060      59.77208       9.578268      61.02604       9.039845      75.79775 6.318306 76.78564 5.886416 -0.9878922     8.635444 
1 1 1 19 27 18 o 24.17485 6.920465 3.528090       5.308429      6.078516       7.367898      0.9776635      7.637110      26.14614 10.02586 22.20357 9.542196 3.942574       13.84093 
1 1 1 19 27 19 o 90.91628 3.672611 85.51013       6.678575      85.29759       9.337394      85.65182       9.549930      90.85374 5.138696 90.97882 5.248435 -0.1250763     7.345221 
1 1 1 19 27 20 o 23.16894 6.870069 2.702035       5.428866      4.518506       7.452912      0.8862731      7.892153      24.31720 9.845012 22.02069 9.584734 2.296509       13.74014 
1 1 1 19 27 21 o 61.29650 5.256445 40.57304       6.429200      42.50002       8.883986      38.65313       9.294888      62.97515 7.053565 59.61786 7.795389 3.357292       10.51289 
1 1 1 19 27 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 27 23 o 25.63742 6.984810 5.953120       5.802928      16.87532       9.535762      -4.965539      6.619065      34.87695 11.64177 16.39790 7.721364 18.47905       13.96962 
1 1 1 19 27 24 o 19.00017 6.556359 -13.99192      8.246379      -21.36691      11.99409      -6.624024      11.31397      17.38844 8.659377 20.61190 9.846755 -3.223465      13.11272 
1 1 1 19 27 25 o 19.18242 6.263072 -2.269879      5.649195      -2.417238      8.628942      -2.122522      7.297054      19.82730 9.177363 18.53754 8.525274 1.289761       12.52614 
1 1 1 19 27 26 o 29.35238 7.593294 12.40499       5.839768      14.21863       8.728126      10.59844       7.757547      30.94639 11.08456 27.75837 10.38099 3.188023       15.18659 
1 1 1 19 27 27 o 25.49022 7.037923 9.018591       5.242543      11.39190       7.608772      6.641736       7.212039      27.64229 10.29218 23.33814 9.602107 4.304152       14.07585 
1 1 1 19 27 28 o 25.52094 6.944552 9.861650       5.143360      7.318307       7.467082      12.40499       7.073183      23.10184 9.658081 27.94005 9.981418 -4.838209      13.88910 
1 1 1 19 28 0  o 19.30339 11.65686 4.279757       8.048012      4.279757       8.048012      4.279757       8.048012      19.30339 11.65686 19.30339 11.65686 0.000000       0.000000 
1 1 1 19 28 1  o 44.93809 6.707815 21.97617       5.982167      28.69230       8.572267      15.26005       8.345562      52.56393 8.154134 37.31224 10.65313 15.25168       13.41563 
1 1 1 19 28 2  o 48.86985 6.187748 25.36966       5.882275      27.48084       8.055097      23.25139       8.572267      51.51105 7.818806 46.22866 9.592663 5.282391       12.37550 
1 1 1 19 28 3  o 22.28813 6.823148 -0.3024381     5.604562      0.3241875      7.863815      -0.9287803     7.984251      22.62811 9.702273 21.94815 9.596213 0.6799526      13.64630 
1 1 1 19 28 4  o 84.26814 3.971057 72.47462       6.660155      78.70899       9.231127      66.28275       9.606606      87.98650 5.245763 80.54979 5.963148 7.436707       7.942113 
1 1 1 19 28 5  o 14.62230 5.120426 -17.25788      5.534425      -18.93692      7.707955      -15.58594      7.948828      13.98161 6.959864 15.26300 7.512347 -1.281395      10.24085 
1 1 1 19 28 6  o 73.26000 4.429378 55.18131       6.465331      61.19606       9.209873      49.17363       9.075267      77.34912 5.953444 69.17088 6.560035 8.178238       8.858756 
1 1 1 19 28 7  o 59.69015 5.703212 37.18663       6.825224      38.48310       10.61969      35.89725       8.579351      60.49950 8.776677 58.88079 7.285357 1.618713       11.40642 
1 1 1 19 28 8  o 28.07397 7.475821 6.236501       5.899987      3.023672       8.770633      9.450747       7.892153      25.57313 10.56464 30.57482 10.58016 -5.001688      14.95164 
1 1 1 19 28 9  o 61.67150 4.982464 39.42534       6.135192      36.80407       8.636027      42.05370       8.721042      59.55416 7.250565 63.78884 6.835868 -4.234673      9.964928 
1 1 1 19 28 10 o 41.16269 7.907517 19.19196       6.716123      16.45733       9.330310      21.92658       9.663282      38.28051 11.36995 44.04486 10.99271 -5.764355      15.81503 
1 1 1 19 28 11 o 63.76397 5.491018 42.69839       6.998795      39.70164       9.684536      45.68806       10.10961      61.48367 7.875698 66.04427 7.653659 -4.560604      10.98204 
1 1 1 19 28 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 28 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 28 14 o 50.68891 6.178679 29.57078       5.866689      44.18614       8.593520      14.95542       7.991336      65.12466 6.597747 36.25316 10.44864 28.87150       12.35736 
1 1 1 19 28 15 o 46.87894 6.207378 24.15821       5.702329      21.12603       7.821308      27.19747       8.303054      43.35520 9.288845 50.40268 8.236719 -7.047485      12.41476 
1 1 1 19 28 16 o 34.92516 7.033269 13.87149       5.464289      7.807138       7.665448      19.92875       7.785885      28.05049 10.35302 41.79983 9.522733 -13.74935      14.06654 
1 1 1 19 28 17 o 27.29912 7.348147 7.056888       5.571973      6.297428       7.382068      7.814223       8.345562      26.26032 10.04539 28.33792 10.72713 -2.077597      14.69629 
1 1 1 19 28 18 o 28.71058 7.365355 8.961915       5.480583      9.889987       7.601687      8.026759       7.899237      29.58022 10.36940 27.84094 10.46276 1.739285       14.73071 
1 1 1 19 28 19 f 33.45593 7.684981 13.28347       5.912030      13.70854       7.920490      12.85840       8.777717      33.92416 10.55834 32.98771 11.16948 0.9364510      15.36996 
1 1 1 19 28 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 28 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 28 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 28 23 o 25.39520 7.151820 7.082392       5.467831      8.055097       8.501422      6.110397       6.879067      26.59099 10.61683 24.19941 9.585255 2.391573       14.30364 
1 1 1 19 28 24 o 40.96429 6.964357 22.28081       5.715081      19.35490       8.600604      25.20671       7.523758      36.90552 10.90566 45.02306 8.664624 -8.117538      13.92871 
1 1 1 19 28 25 o 29.34093 7.181090 12.41208       5.356604      18.08677       8.274716      6.730292       6.803971      34.92160 10.77640 23.76026 9.494287 11.16134       14.36218 
1 1 1 19 28 26 o 20.80924 6.136547 2.281215       4.830933      -3.488416      7.502505      8.048012       6.085601      17.21233 8.144627 24.40614 9.181171 -7.193810      12.27309 
1 1 1 19 28 27 o 17.97554 5.732460 -0.6733834     4.829516      -5.724290      7.679617      4.377523       5.860313      15.96052 7.731128 19.99055 8.466053 -4.030035      11.46492 
1 1 1 19 29 0  o 18.61804 11.36469 3.771089       7.835476      3.771089       7.835476      3.771089       7.835476      18.61804 11.36469 18.61804 11.36469 0.000000       0.000000 
1 1 1 19 29 1  o 30.72520 7.186530 9.103605       5.576224      2.627648       7.672533      15.57885       8.090520      24.00537 9.894867 37.44503 10.42480 -13.43966      14.37306 
1 1 1 19 29 2  o 65.15835 4.861097 44.37742       6.237210      54.02653       8.969000      34.72831       8.671450      72.52704 6.183211 57.78966 7.502596 14.73738       9.722194 
1 1 1 19 29 3  o 45.10122 6.709219 22.41541       5.875899      19.61703       8.033843      25.20671       8.572267      42.12823 9.724935 48.07421 9.245545 -5.945972      13.41844 
1 1 1 19 29 4  o 37.85075 7.195509 15.87640       5.790885      21.49443       8.147196      10.25130       8.232210      44.17945 9.493463 31.52205 10.81553 12.65740       14.39102 
1 1 1 19 29 5  o 98.34131 3.803888 98.75818       7.481250      98.47480       10.17337      99.11240       10.97392      98.25930 5.176796 98.42332 5.574857 -0.1640167     7.607776 
1 1 1 19 29 6  o 80.47273 4.656735 67.26041       7.467082      77.07955       10.89599      57.44835       10.21588      86.48572 6.299299 74.45975 6.859998 12.02596       9.313471 
1 1 1 19 29 7  o 41.51675 7.785470 19.41158       6.979667      11.29981       10.13086      27.52335       9.599521      33.26129 11.93929 49.77221 9.995382 -16.51092      15.57094 
1 1 1 19 29 8  o 49.83671 7.176044 28.23889       7.035635      17.20829       10.07418      39.26948       9.819141      38.71906 11.87886 60.95436 8.054503 -22.23530      14.35209 
1 1 1 19 29 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 29 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 29 11 o 62.71111 5.048207 41.38775       6.304513      36.75448       8.848563      46.02103       8.983169      59.04016 7.493682 66.38207 6.766261 -7.341915      10.09641 
1 1 1 19 29 12 o 67.25124 4.739882 47.24665       6.366856      45.61721       9.153197      48.87609       8.855647      65.99057 6.935231 68.51190 6.462854 -2.521332      9.479763 
1 1 1 19 29 13 o 30.51081 7.340964 9.557014       5.712247      15.18921       8.189702      3.926240       7.962997      36.18813 10.62556 24.83349 10.13195 11.35464       14.68193 
1 1 1 19 29 14 o 24.69042 7.022939 4.318014       5.315514      4.366188       7.367898      4.269839       7.665448      24.59145 9.857603 24.78939 10.00572 -0.1979389     14.04588 
1 1 1 19 29 15 o 57.99548 5.146897 35.95393       5.970123      36.36483       8.380984      35.54303       8.501422      58.37825 7.178174 57.61272 7.378077 0.7655258      10.29379 
1 1 1 19 29 16 o 29.61716 7.406926 9.585353       5.637151      12.82298       7.778800      6.350562       8.154280      32.78858 10.50161 26.44575 10.44827 6.342831       14.81385 
1 1 1 19 29 17 f 38.49091 7.777956 18.05135       6.322224      20.19088       8.926493      15.91183       8.954830      40.83592 10.77287 36.14590 11.22193 4.690025       15.55591 
1 1 1 19 29 18 o 17.53515 6.060245 -16.11019      7.346645      -8.253463      9.139028      -23.96692      11.51234      18.33465 8.780549 16.73565 8.355132 1.599001       12.12049 
1 1 1 19 29 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 29 20 o 55.74815 6.665584 37.54086       7.318307      30.73264       9.351563      44.35616       11.26438      50.20338 9.658300 61.29293 9.188975 -11.08955      13.33117 
1 1 1 19 29 21 o 59.62968 5.727134 41.81283       6.786260      42.04661       8.388069      41.57195       10.66928      61.06200 6.868485 58.19735 9.166469 2.864651       11.45427 
1 1 1 19 29 22 o 30.72849 7.217225 12.58210       5.209954      10.47800       6.998086      14.68620       7.722124      28.50177 9.953216 32.95522 10.45403 -4.453447      14.43445 
1 1 1 19 29 23 o 56.78856 5.417683 38.47602       6.128108      44.22865       8.983169      32.72338       8.338477      61.46027 7.308110 52.11684 7.999791 9.343426       10.83537 
1 1 1 19 29 24 o 38.48155 6.270403 20.08461       4.828807      26.33315       7.346645      13.84315       6.266256      45.35472 8.414586 31.60838 9.298739 13.74634       12.54081 
1 1 1 19 29 25 o 24.57133 6.839061 8.090520       5.321181      15.28131       8.182618      0.9011506      6.808930      30.51020 10.75210 18.63247 8.454783 11.87774       13.67812 
1 1 1 19 30 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 30 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 30 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 30 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 30 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 30 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 30 6  o 50.81232 6.935099 29.43617       6.779883      40.04878       9.301972      18.82356       9.868733      61.54106 7.557533 40.08359 11.63039 21.45747       13.87020 
1 1 1 19 30 7  o 75.00304 5.012813 59.24074       7.346645      50.37092       11.17937      68.11056       9.542846      68.81763 8.122460 81.18846 5.876972 -12.37083      10.02563 
1 1 1 19 30 8  o 91.24382 3.880567 85.72267       7.075308      83.52647       10.15920      87.84802       9.854564      90.01942 5.642782 92.46822 5.328622 -2.448792      7.761134 
1 1 1 19 30 9  o 31.61073 7.295105 9.875818       5.938951      2.161486       8.508506      17.59086       8.288886      24.16564 10.21599 39.05583 10.41670 -14.89019      14.59021 
1 1 1 19 30 10 o 24.58435 6.820529 2.533424       5.516714      10.90307       8.274716      -5.833392      7.297054      31.47706 10.83922 17.69164 8.281895 13.78542       13.64106 
1 1 1 19 30 11 o 28.14782 7.337477 7.459997       5.661947      11.95158       8.331393      2.970538       7.665448      32.55723 10.88179 23.73841 9.845862 8.818819       14.67495 
1 1 1 19 30 12 o 20.35720 6.442258 -3.375773      5.638568      2.674406       8.175533      -9.422408      7.764632      23.94092 10.06226 16.77349 8.047462 7.167429       12.88452 
1 1 1 19 30 13 o 32.17397 7.777839 12.08619       6.038843      13.04260       8.480167      11.12978       8.600604      33.14680 10.97852 31.20115 11.02049 1.945656       15.55568 
1 1 1 19 30 14 o 23.73951 7.409315 0.7091602      6.899612      -0.8189703     8.813140      2.237999       10.61261      21.99023 9.812290 25.48878 11.10454 -3.498556      14.81863 
1 1 1 19 30 15 o 37.39161 8.044687 16.83990       7.545012      3.193701       9.450747      30.49177       11.76738      25.26098 10.72718 49.52223 11.99148 -24.26126      16.08937 
1 1 1 19 30 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 30 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 30 18 o 26.39537 7.338879 6.111105       6.150779      -1.347475      8.260548      13.56685       9.117774      20.49327 9.302838 32.29746 11.35314 -11.80419      14.67776 
1 1 1 19 30 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 30 20 o 20.05433 6.385139 -0.3930490     5.415406      -3.502585      7.148279      2.716204       8.140111      17.72217 8.260396 22.38649 9.738885 -4.664324      12.77028 
1 1 1 19 30 21 o 22.38140 6.676623 4.173490       5.208537      0.8331393      6.951329      7.516674       7.757547      19.60830 8.732902 25.15450 10.10176 -5.546202      13.35325 
1 1 1 19 30 22 o 24.42041 6.896708 7.488335       5.085975      6.497211       6.614814      8.473083       7.729208      23.42015 9.360133 25.42067 10.13145 -2.000523      13.79342 
1 1 1 19 30 23 o 18.49504 6.000756 -0.4688534     5.090934      -3.975122      6.786968      3.037133       7.587519      16.22668 7.710453 20.76341 9.197022 -4.536730      12.00151 
1 1 1 19 30 24 o 19.42669 6.094624 2.446284       4.825974      4.976873       6.624024      -0.8409323E-01 7.020049      20.93207 8.937508 17.92131 8.288468 3.010765       12.18925 
1 1 1 19 31 0  o 28.02478 14.95352 12.98592       11.27147      12.98592       11.27147      12.98592       11.27147      28.02478 14.95352 28.02478 14.95352 0.000000       0.000000 
1 1 1 19 31 1  o 35.05603 8.186179 12.02951       7.580434      20.80723       9.663282      3.244709       11.68237      42.17076 11.24707 27.94129 11.89780 14.22948       16.37236 
1 1 1 19 31 2  o 61.65518 6.660587 41.74906       8.246379      36.05311       10.66928      47.43793       12.58210      57.51069 9.275913 65.79967 9.560917 -8.288982      13.32117 
1 1 1 19 31 3  o 79.27298 4.627059 65.96394       7.367898      58.58896       9.549930      73.32476       11.22188      74.92094 6.373339 83.62502 6.709640 -8.704086      9.254119 
1 1 1 19 31 4  o 25.24118 7.240512 1.810803       6.304513      8.628942       8.104689      -5.005212      9.656199      29.17214 10.65821 21.31021 9.803191 7.861925       14.48102 
1 1 1 19 31 5  o 30.10393 7.626945 9.429493       5.894319      11.35648       8.196787      7.509589       8.473083      31.92467 10.79354 28.28319 10.77871 3.641478       15.25389 
1 1 1 19 31 6  o 33.24022 7.518612 10.45675       6.668657      1.814345       10.55593      19.09278       8.154280      25.85028 11.16552 40.63015 10.07221 -14.77987      15.03722 
1 1 1 19 31 7  o 50.06940 6.472346 28.08303       6.237210      22.66337       9.124859      33.50268       8.508506      44.10498 10.48437 56.03382 7.592295 -11.92885      12.94469 
1 1 1 19 31 8  o 27.17746 7.560250 4.694910       6.506421      10.83931       8.770633      -1.450201      9.613690      31.42583 11.12595 22.92909 10.23927 8.496748       15.12050 
1 1 1 19 31 9  o 53.31347 6.493579 32.90759       6.576558      44.32783       9.578268      21.48734       9.011506      64.19092 7.460766 42.43601 10.63030 21.75491       12.98716 
1 1 1 19 31 10 o 33.57359 8.538637 13.52434       7.353730      11.56902       9.535762      15.48676       11.19354      31.74688 11.56467 35.40031 12.56550 -3.653425      17.07727 
1 1 1 19 31 11 o 38.60564 8.399119 18.44808       7.452912      22.47209       9.464915      14.42408       11.51234      42.76097 11.00498 34.45030 12.69139 8.310673       16.79824 
1 1 1 19 31 12 o 27.94948 8.086528 5.129899       7.523758      9.975000       9.904156      0.2850810      11.33523      30.64397 11.66074 25.25499 11.20691 5.388977       16.17306 
1 1 1 19 31 13 o 31.98038 8.368328 11.12269       7.934660      -0.8104688     10.36465      23.05302       12.02243      23.15817 10.47385 40.80260 13.05428 -17.64442      16.73666 
1 1 1 19 31 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 31 15 o 25.75901 8.663876 11.55485       11.84531      -1.683990      12.68837      24.78873       20.01376      21.37692 10.26363 30.14111 13.96098 -8.764187      17.32775 
1 1 1 19 31 16 o 19.81203 6.432578 -3.241167      5.934701      0.4288258      8.218040      -6.911656      8.558097      21.42951 9.521697 18.19454 8.651560 3.234966       12.86516 
1 1 1 19 31 17 o 43.90028 7.213695 25.31298       6.220915      25.89391       8.636027      24.72497       8.954830      44.75270 9.911540 43.04786 10.48384 1.704842       14.42739 
1 1 1 19 31 18 o 24.39441 6.895030 5.121398       5.438785      10.17337       7.523758      0.7119941E-01  7.856731      28.32042 10.27674 20.46840 9.195346 7.852013       13.79006 
1 1 1 19 31 19 o 72.16953 4.390101 58.26308       6.337809      56.81075       8.756464      59.72248       9.167366      71.35694 6.135678 72.98210 6.280558 -1.625160      8.780202 
1 1 1 19 31 20 o 24.94281 6.673914 5.953829       5.333225      14.07694       7.311223      -2.169279      7.764632      31.38812 10.19381 18.49749 8.616891 12.89062       13.34783 
1 1 1 19 31 21 f 33.29857 7.169164 16.45025       5.220581      14.73580       7.247461      18.15762       7.516674      31.44441 10.14319 35.15272 10.13426 -3.708309      14.33833 
1 1 1 19 31 22 o 18.40548 5.939682 0.5949578      4.873440      0.9068182      6.594269      0.2828139      7.176617      18.33717 8.320633 18.47380 8.478582 -0.1366291     11.87936 
1 1 1 19 32 0  o 21.40962 12.59571 6.791219       8.976085      6.791219       8.976085      6.791219       8.976085      21.40962 12.59571 21.40962 12.59571 0.000000       0.000000 
1 1 1 19 32 1  o 24.12144 7.140866 1.476413       6.152903      -4.514963      8.806056      7.467082       8.600604      20.25448 9.335283 27.98841 10.80835 -7.733923      14.28173 
1 1 1 19 32 2  o 44.98367 7.722142 24.31407       6.913781      22.47209       10.25130      26.16313       9.280719      42.73055 11.66961 47.23679 10.11663 -4.506241      15.44428 
1 1 1 19 32 3  o 24.09378 7.289222 2.211078       6.266256      1.358102       9.174451      3.063345       8.543928      23.83327 10.35324 24.35430 10.26360 -0.5210323     14.57844 
1 1 1 19 32 4  o 41.33764 8.077553 21.16146       6.969040      18.09386       9.925409      24.23614       9.783719      38.09335 11.81200 44.58193 11.02107 -6.488575      16.15511 
1 1 1 19 32 5  f 32.84830 8.302601 12.55377       7.039886      9.039845       10.05293      16.06769       9.861650      29.73553 11.64345 35.96107 11.83904 -6.225533      16.60520 
1 1 1 19 32 6  o 49.45773 9.453690 32.56044       9.656199      29.69122       11.95867      35.42967       15.15378      48.16461 12.35501 50.75084 14.31232 -2.586231      18.90738 
1 1 1 19 32 7  o 57.38345 8.274864 41.15396       9.358648      32.09286       10.64803      50.21506       15.40174      51.73328 10.65585 63.03361 12.66280 -11.30032      16.54973 
1 1 1 19 32 8  o 41.10454 9.143751 20.54510       9.408240      25.69555       10.17337      15.39466       15.82681      45.94558 11.16498 36.26350 14.48365 9.682079       18.28750 
1 1 1 19 32 9  f 36.54890 8.535523 11.24313       9.727042      25.55386       10.27963      -3.069721      16.52110      45.43650 11.33655 27.66130 12.76336 17.77519       17.07105 
1 1 1 19 32 10 o 35.48198 15.54531 0.000000       0.000000      ?              ?             27.75714       21.04102      ?        ?        35.48198 15.54531 ?              ?        
1 1 1 19 32 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 32 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 32 13 o 28.82751 7.064811 6.760755       6.263422      19.19904       8.706873      -5.680366      9.004422      38.40874 10.85427 19.24628 9.046049 19.16246       14.12962 
1 1 1 19 32 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 32 15 o 27.27932 6.808158 7.346645       5.533009      -2.913154      7.438744      17.61211       8.189702      18.38259 8.513367 36.17606 10.62669 -17.79347      13.61632 
1 1 1 19 32 16 o 35.10575 7.210235 16.49276       5.559221      20.47426       7.651280      12.51126       8.069265      39.80774 9.688321 30.40376 10.68112 9.403973       14.42047 
1 1 1 19 32 17 o 31.34774 7.321932 13.77230       5.338893      13.70854       7.304138      13.84315       7.785885      31.42399 10.18737 31.27149 10.51952 0.1524963      14.64386 
1 1 1 19 32 18 o 39.40727 6.935518 21.70696       5.689576      28.52227       7.984251      14.89874       8.104689      47.19183 8.787155 31.62272 10.73273 15.56911       13.87104 
1 1 1 19 32 19 o 22.48067 6.684089 5.189409       5.241835      7.828392       7.091603      2.547593       7.722124      24.32425 9.701397 20.63709 9.197339 3.687164       13.36818 
1 1 1 19 32 20 o 23.88261 6.870366 7.750463       5.236167      9.734127       7.226208      5.768215       7.580434      25.51180 9.895741 22.25341 9.533206 3.258392       13.74073 
1 1 1 19 33 0  o 38.97064 13.77901 21.82031       9.741212      21.82031       9.741212      21.82031       9.741212      38.97064 13.77901 38.97064 13.77901 0.000000       0.000000 
1 1 1 19 33 1  o 32.42018 8.713929 12.39082       7.892153      9.153197       9.245295      15.62136       12.79464      29.39071 11.24215 35.44966 13.31707 -6.058949      17.42786 
1 1 1 19 33 2  f 32.89726 8.673450 12.23496       8.019674      16.28022       10.20879      8.182618       12.38374      35.79659 12.04561 29.99793 12.48271 5.798655       17.34690 
1 1 1 19 33 3  o 51.45066 8.178653 34.55119       8.806056      48.28807       11.69654      20.80723       13.16303      64.59547 9.053685 38.30586 13.62322 26.28961       16.35731 
1 1 1 19 33 4  o 32.60258 9.458794 15.85515       9.904156      16.76197       13.58102      14.94125       14.40991      33.17287 13.34766 32.03230 13.40578 1.140579       18.91759 
1 1 1 19 33 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 33 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 33 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 33 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 33 9  f 19.58527 6.543781 -6.514214      6.790511      -2.517838      9.925409      -10.51342      9.273635      21.49481 9.908433 17.67573 8.550279 3.819086       13.08756 
1 1 1 19 33 10 o 47.42443 16.05839 0.000000       0.000000      ?              ?             39.43243       18.14345      ?        ?        47.42443 16.05839 ?              ?        
1 1 1 19 33 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 33 12 o 27.76450 7.473237 8.905238       6.294595      -0.4749461     7.651280      18.27806       10.00334      19.95010 9.012239 35.57890 11.92378 -15.62881      14.94647 
1 1 1 19 33 13 o 20.92794 6.586159 -2.157236      6.128108      5.397694       7.828392      -9.712874      9.429493      24.02697 9.956791 17.82891 8.623935 6.198063       13.17232 
1 1 1 19 33 14 o 34.37238 7.657525 16.71238       6.239335      20.45300       7.991336      12.96467       9.585353      38.80537 10.17266 29.93940 11.44848 8.865971       15.31505 
1 1 1 19 33 15 o 28.33295 7.564912 11.48400       5.901403      8.586436       7.311223      14.38157       9.266549      25.81765 9.966274 30.84825 11.38354 -5.030592      15.12982 
1 1 1 19 33 16 o 17.70333 5.859237 -3.224873      5.289301      -0.2273422E-01 7.254546      -6.427074      7.700871      18.95995 8.636323 16.44670 7.920640 2.513248       11.71847 
1 1 1 19 33 17 o 19.51620 6.296430 0.6815306      5.486959      0.7431660      7.445828      0.6198245      8.062181      19.30452 8.781530 19.72789 9.025788 -0.4233704     12.59286 
1 1 1 19 33 18 o 24.30782 6.952694 8.359732       5.358021      5.309846       7.516674      11.40607       7.637110      21.80243 9.419628 26.81321 10.22890 -5.010786      13.90539 
1 1 1 19 34 0  o 20.97132 13.51366 5.127774       12.66003      5.127774       12.66003      5.127774       12.66003      20.97132 13.51366 20.97132 13.51366 0.000000       0.000000 
1 1 1 19 34 1  o 46.96238 8.826492 30.56261       8.565183      30.83182       13.52434      30.29340       10.52051      45.59045 13.71906 48.33430 11.10924 -2.743847      17.65298 
1 1 1 19 34 2  o 48.66405 8.268915 31.55444       7.991336      35.23839       12.18537      27.86341       10.35048      51.20998 12.07898 46.11813 11.29593 5.091843       16.53783 
1 1 1 19 34 3  o 25.97243 7.748571 2.695659       7.615856      15.86224       11.92324      -10.47092      9.472000      33.96059 12.83179 17.98428 8.689456 15.97631       15.49714 
1 1 1 19 34 4  o 34.54560 14.68264 17.69004       17.73255      17.69004       17.73255      ?              ?             34.54560 14.68264 ?        ?        ?              ?        
1 1 1 19 34 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 34 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 19 34 7  o 36.55107 7.530787 17.73255       6.877649      28.40183       9.181536      7.056888       10.24421      46.78012 10.10058 26.32203 11.17270 20.45809       15.06157 
1 1 1 19 34 8  o 49.82059 6.423485 30.24380       6.241460      31.30648       8.515590      29.18822       9.131943      51.66136 8.241740 47.97982 9.854864 3.681534       12.84697 
1 1 1 19 34 9  o 27.67805 7.510786 9.472000       5.837643      8.402238       8.097604      10.53468       8.409323      26.68656 10.44986 28.66955 10.79111 -1.982998      15.02157 
1 1 1 19 34 10 o 28.03627 7.300605 10.20879       5.462163      12.13578       7.573349      8.288886       7.870899      29.92584 10.36343 26.14669 10.28565 3.779142       14.60121 
1 1 1 19 34 11 o 19.48041 6.344621 -2.716913      5.945328      -7.679617      8.862731      2.245084       7.927575      17.59034 8.477720 21.37047 9.441670 -3.780136      12.68924 
1 1 1 19 34 12 o 22.96696 7.135376 3.909945       6.444077      3.129940       10.23004      4.689950       7.842561      23.17284 10.44699 22.76108 9.721871 0.4117565      14.27075 
1 1 1 19 34 13 o 30.26685 7.647041 13.84315       5.982167      12.05077       8.940661      15.64262       7.948828      28.24868 10.99695 32.28503 10.62902 -4.036350      15.29408 
1 1 1 19 34 14 o 17.45283 5.896842 -4.830933      5.817098      -3.159695      8.508506      -6.502879      7.934660      18.38899 8.688246 16.51666 7.975298 1.872330       11.79368 
1 1 1 19 34 15 o 40.52287 7.490870 25.12170       6.171323      28.38766       9.139028      21.84865       8.295970      43.37005 10.60904 37.67569 10.57832 5.694363       14.98174 
1 1 1 19 34 16 o 18.70515 6.122556 -0.1883065     5.615189      2.433532       6.912364      -2.810428      8.848563      19.27477 8.642869 18.13553 8.674306 1.139233       12.24511 
1 1 1 19 35 0  o 12.68049 8.891217 -5.128483      8.033843      -5.128483      8.033843      -5.128483      8.033843      12.68049 8.891217 12.68049 8.891217 0.000000       0.000000 
1 1 1 19 35 1  o 18.66329 6.152210 -3.663404      5.684617      -5.206412      8.062181      -2.119688      8.019674      17.96372 8.477084 19.36287 8.918397 -1.399155      12.30442 
1 1 1 19 35 2  o 25.32845 7.199656 6.570182       5.771757      10.71888       8.218040      2.422905       8.104689      28.63847 10.68971 22.01844 9.647299 6.620022       14.39931 
1 1 1 19 35 3  o 31.63238 7.211269 12.52543       6.051595      21.38816       8.246379      3.654903       8.855647      40.00671 10.25807 23.25806 10.13812 16.74865       14.42254 
1 1 1 19 35 4  o 33.23946 7.481261 14.20446       6.716123      4.372564       10.19462      24.03068       8.742295      24.34694 10.73821 42.13199 10.41959 -17.78505      14.96252 
1 1 1 19 35 5  o 35.65166 8.762139 20.68679       7.863815      28.73480       12.49709      12.63878       9.542846      41.62915 13.30855 29.67416 11.40100 11.95499       17.52428 
1 1 1 19 35 6  o 25.51851 7.430598 6.486584       6.548220      14.45950       9.734127      -1.486332      8.763549      31.01050 11.62232 20.02653 9.261578 10.98397       14.86120 
1 1 1 19 35 7  o 20.87544 6.784513 -0.1777506     6.551054      0.1086057      10.27255      -0.4641067     8.133026      21.85930 10.07789 19.89159 9.085959 1.967712       13.56903 
1 1 1 19 35 8  o 21.93779 6.906373 2.446284       6.219499      7.977167       9.599521      -3.081765      7.906322      25.62756 10.84347 18.24802 8.556343 7.379534       13.81275 
1 1 1 19 35 9  o 22.81721 6.987501 3.499043       6.302387      -1.121479      9.854564      8.118857       7.856731      20.59243 9.637067 25.04198 10.12065 -4.449551      13.97500 
1 1 1 19 35 10 o 26.30088 7.607392 10.06001       6.419991      13.99192       9.705790      6.121023       8.409323      29.21765 11.44065 23.38411 10.03001 5.833532       15.21478 
1 1 1 19 35 11 o 17.99767 5.949385 -3.248251      5.470665      -9.727042      7.452912      3.231957       8.012589      14.85625 7.299915 21.13910 9.396380 -6.282852      11.89877 
1 1 1 19 35 12 o 37.99955 6.872523 21.55110       5.582600      29.01818       7.892153      14.08402       7.899237      46.46337 8.812227 29.53573 10.54850 16.92764       13.74505 
1 1 1 19 35 13 o 19.18487 6.122058 -0.5614481E-01 5.374315      7.247461       7.509589      -7.360813      7.686701      22.87889 9.631123 15.49085 7.560413 7.388034       12.24412 
1 1 1 19 36 0  o 22.61485 12.35506 10.09544       7.842561      10.09544       7.842561      10.09544       7.842561      22.61485 12.35506 22.61485 12.35506 0.000000       0.000000 
1 1 1 19 36 1  f 20.46257 6.496603 1.547967       5.592519      -2.037507      7.566265      5.133441       8.232210      18.14657 8.473797 22.77857 9.849781 -4.631994      12.99321 
1 1 1 19 36 2  o 20.29504 6.515966 1.131397       5.780967      -0.9082352     7.828392      3.170322       8.508506      18.93493 8.755507 21.65514 9.652584 -2.720211      13.03193 
1 1 1 19 36 3  o 17.93026 5.964640 -2.822472      5.496169      -1.752001      7.849646      -3.893651      7.693786      18.49028 8.633025 17.37024 8.232778 1.120035       11.92928 
1 1 1 19 36 4  o 18.78660 6.131324 -13.05677      7.069641      -31.76698      11.88782      5.646361       7.651280      14.85966 7.567751 22.71354 9.648920 -7.853882      12.26265 
1 1 1 19 36 5  o 17.79530 5.923245 -3.754086      5.537968      -9.160281      7.722124      1.653526       7.941744      15.36705 7.516776 20.22355 9.156277 -4.856507      11.84649 
1 1 1 19 36 6  o 16.96509 5.789292 -6.162114      5.906363      -5.834808      7.885069      -6.489419      8.791886      16.64216 8.014781 17.28802 8.356248 -0.6458569     11.57858 
1 1 1 19 36 7  o 35.65264 7.402760 19.85082       6.159280      25.60345       8.012589      14.09819       9.358648      42.55066 9.637473 28.75463 11.23933 13.79603       14.80552 
1 1 1 19 36 8  o 32.58355 7.649948 17.70421       6.201078      22.98217       8.536844      12.42624       8.997337      38.02216 10.74865 27.14494 10.88822 10.87722       15.29990 
1 1 1 19 36 9  o 34.88081 7.432003 20.34674       6.327891      27.07702       8.246379      13.61644       9.599521      42.56997 9.869680 27.19165 11.11432 15.37832       14.86401 
1 1 1 19 37 0  o 17.76048 11.07895 6.099061       7.785885      6.099061       7.785885      6.099061       7.785885      17.76048 11.07895 17.76048 11.07895 0.000000       0.000000 
1 1 1 19 37 1  o 30.71858 7.125137 15.75597       5.554970      8.933578       7.814223      22.57127       7.899237      23.83863 9.917487 37.59852 10.23298 -13.75988      14.25027 
1 1 1 20 0  0  o 286.8606 5.305204 823.9294       30.41383      823.9294       30.41383      823.9294       30.41383      286.8606 5.305204 286.8606 5.305204 0.000000       0.000000 
1 1 1 20 0  1  o 112.3086 3.518043 126.5295       7.885069      126.5295       7.885069      126.5295       7.885069      112.3086 3.518043 112.3086 3.518043 0.000000       0.000000 
1 1 1 20 0  2  o 194.7175 3.736022 379.6593       14.53743      379.6593       14.53743      379.6593       14.53743      194.7175 3.736022 194.7175 3.736022 0.000000       0.000000 
1 1 1 20 0  3  o 119.4721 3.380061 143.1073       8.062181      143.1073       8.062181      143.1073       8.062181      119.4721 3.380061 119.4721 3.380061 0.000000       0.000000 
1 1 1 20 0  4  o 372.5862 4.387996 1389.274       32.68797      1389.274       32.68797      1389.274       32.68797      372.5862 4.387996 372.5862 4.387996 0.000000       0.000000 
1 1 1 20 0  5  o 148.3668 3.169046 220.4702       9.394071      220.4702       9.394071      220.4702       9.394071      148.3668 3.169046 148.3668 3.169046 0.000000       0.000000 
1 1 1 20 0  6  o 277.9070 3.628956 772.9209       20.16254      772.9209       20.16254      772.9209       20.16254      277.9070 3.628956 277.9070 3.628956 0.000000       0.000000 
1 1 1 20 0  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 0  8  o 200.8209 3.141443 403.6758       12.61044      403.6758       12.61044      403.6758       12.61044      200.8209 3.141443 200.8209 3.141443 0.000000       0.000000 
1 1 1 20 0  9  o 134.7452 3.580844 182.0013       9.634944      182.0013       9.634944      182.0013       9.634944      134.7452 3.580844 134.7452 3.580844 0.000000       0.000000 
1 1 1 20 0  10 o 190.6006 3.064534 363.6483       11.67529      363.6483       11.67529      363.6483       11.67529      190.6006 3.064534 190.6006 3.064534 0.000000       0.000000 
1 1 1 20 0  11 o 150.6190 3.392773 227.2713       10.20879      227.2713       10.20879      227.2713       10.20879      150.6190 3.392773 150.6190 3.392773 0.000000       0.000000 
1 1 1 20 0  12 o 113.3166 3.077551 128.7257       6.963373      128.7257       6.963373      128.7257       6.963373      113.3166 3.077551 113.3166 3.077551 0.000000       0.000000 
1 1 1 20 0  13 o 106.6137 3.082005 113.9899       6.559555      113.9899       6.559555      113.9899       6.559555      106.6137 3.082005 106.6137 3.082005 0.000000       0.000000 
1 1 1 20 0  14 o 39.08868 6.319576 16.23063       4.616981      16.23063       4.616981      16.23063       4.616981      39.08868 6.319576 39.08868 6.319576 0.000000       0.000000 
1 1 1 20 0  15 o 142.2794 3.410191 202.9006       9.691620      202.9006       9.691620      202.9006       9.691620      142.2794 3.410191 142.2794 3.410191 0.000000       0.000000 
1 1 1 20 0  16 f 167.0558 3.008914 279.4842       10.04585      279.4842       10.04585      279.4842       10.04585      167.0558 3.008914 167.0558 3.008914 0.000000       0.000000 
1 1 1 20 0  17 o 236.6790 3.815686 561.0938       18.05135      561.0938       18.05135      561.0938       18.05135      236.6790 3.815686 236.6790 3.815686 0.000000       0.000000 
1 1 1 20 0  18 o 38.55355 7.934143 16.64862       5.406196      16.64862       5.406196      16.64862       5.406196      38.55355 7.934143 38.55355 7.934143 0.000000       0.000000 
1 1 1 20 0  19 o 14.56403 8.839198 2.122522       4.680032      2.122522       4.680032      2.122522       4.680032      14.56403 8.839198 14.56403 8.839198 0.000000       0.000000 
1 1 1 20 0  20 o 133.5550 3.101586 178.8132       8.274716      178.8132       8.274716      178.8132       8.274716      133.5550 3.101586 133.5550 3.101586 0.000000       0.000000 
1 1 1 20 0  21 o 240.0406 3.370492 577.2465       16.17395      577.2465       16.17395      577.2465       16.17395      240.0406 3.370492 240.0406 3.370492 0.000000       0.000000 
1 1 1 20 0  22 o 16.37115 9.238879 3.669780       4.564555      3.669780       4.564555      3.669780       4.564555      16.37115 9.238879 16.37115 9.238879 0.000000       0.000000 
1 1 1 20 0  23 o 42.42989 5.866341 18.58978       4.876274      18.58978       4.876274      18.58978       4.876274      42.42989 5.866341 42.42989 5.866341 0.000000       0.000000 
1 1 1 20 0  24 o 34.92610 7.713386 13.92108       4.706245      13.92108       4.706245      13.92108       4.706245      34.92610 7.713386 34.92610 7.713386 0.000000       0.000000 
1 1 1 20 0  25 o 101.8404 3.302918 104.2133       6.711873      104.2133       6.711873      104.2133       6.711873      101.8404 3.302918 101.8404 3.302918 0.000000       0.000000 
1 1 1 20 0  26 o 145.5425 3.089197 212.4647       8.983169      212.4647       8.983169      212.4647       8.983169      145.5425 3.089197 145.5425 3.089197 0.000000       0.000000 
1 1 1 20 0  27 o 42.82678 6.099895 19.09278       5.069681      19.09278       5.069681      19.09278       5.069681      42.82678 6.099895 42.82678 6.099895 0.000000       0.000000 
1 1 1 20 0  28 o 63.59252 5.357193 41.52236       6.720373      41.52236       6.720373      41.52236       6.720373      63.59252 5.357193 63.59252 5.357193 0.000000       0.000000 
1 1 1 20 0  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 0  30 o 14.98732 9.260533 2.026881       5.331100      2.026881       5.331100      2.026881       5.331100      14.98732 9.260533 14.98732 9.260533 0.000000       0.000000 
1 1 1 20 0  31 o 186.4184 3.312426 349.0542       12.34123      349.0542       12.34123      349.0542       12.34123      186.4184 3.312426 186.4184 3.312426 0.000000       0.000000 
1 1 1 20 0  32 o 35.24611 9.020478 14.89166       5.487668      14.89166       5.487668      14.89166       5.487668      35.24611 9.020478 35.24611 9.020478 0.000000       0.000000 
1 1 1 20 0  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 0  34 o 135.1942 3.289962 184.1266       8.883986      184.1266       8.883986      184.1266       8.883986      135.1942 3.289962 135.1942 3.289962 0.000000       0.000000 
1 1 1 20 0  35 o 50.21425 5.826833 26.74405       5.717914      26.74405       5.717914      26.74405       5.717914      50.21425 5.826833 50.21425 5.826833 0.000000       0.000000 
1 1 1 20 0  36 o 70.50620 4.691588 51.14313       6.556013      51.14313       6.556013      51.14313       6.556013      70.50620 4.691588 70.50620 4.691588 0.000000       0.000000 
1 1 1 20 0  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 0  38 o 102.5777 3.736876 107.6138       7.644195      107.6138       7.644195      107.6138       7.644195      102.5777 3.736876 102.5777 3.736876 0.000000       0.000000 
1 1 1 20 0  39 o 9.996885 7.118607 -5.397694      5.659113      -5.397694      5.659113      -5.397694      5.659113      9.996885 7.118607 9.996885 7.118607 0.000000       0.000000 
1 1 1 20 0  40 o 15.54645 9.588236 3.627982       5.694535      3.627982       5.694535      3.627982       5.694535      15.54645 9.588236 15.54645 9.588236 0.000000       0.000000 
1 1 1 20 1  0  o 458.0524 5.131720 2099.851       46.99869      2099.851       46.99869      2099.851       46.99869      458.0524 5.131720 458.0524 5.131720 0.000000       0.000000 
1 1 1 20 1  1  o 149.9480 2.287676 225.0751       6.862772      212.1813       9.429493      238.0398       9.975000      145.6383 3.237299 154.2577 3.233226 -8.619461      4.575353 
1 1 1 20 1  2  o 233.7567 2.405473 546.7122       11.25021      534.3852       15.65678      559.0393       16.15270      231.1215 3.387133 236.3920 3.416508 -5.270508      4.810946 
1 1 1 20 1  3  o 397.9823 3.253754 1585.515       25.90100      1604.643       37.00244      1565.678       36.25148      400.4269 4.620374 395.5378 4.582556 4.889099       6.507509 
1 1 1 20 1  4  o 354.9936 3.000821 1261.044       21.30314      1259.627       30.09503      1262.461       30.16588      354.7943 4.241195 355.1928 4.246408 -0.3985596     6.001643 
1 1 1 20 1  5  o 183.9927 2.250325 338.7108       8.281801      334.8851       11.67529      342.4656       11.74613      182.9630 3.190614 185.0225 3.174244 -2.059540      4.500649 
1 1 1 20 1  6  o 325.1283 2.818489 1057.719       18.33473      1094.558       26.65904      1021.588       25.18546      330.7333 4.030293 319.5233 3.941100 11.21005       5.636978 
1 1 1 20 1  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 1  8  o 199.9929 2.413350 400.4170       9.627860      382.4931       14.26113      418.2699       12.92925      195.5156 3.647059 204.4703 3.161644 -8.954742      4.826699 
1 1 1 20 1  9  o 158.0503 2.137894 249.9418       6.757213      249.0917       9.571183      250.7211       9.542846      157.7924 3.032840 158.3081 3.014010 -0.5156708     4.275789 
1 1 1 20 1  10 o 327.4377 2.791709 1073.304       18.27806      1070.471       25.75931      1075.430       25.95059      327.0600 3.938010 327.8154 3.958110 -0.7554626     5.583418 
1 1 1 20 1  11 o 113.7752 2.190580 129.5758       4.984667      135.3851       7.119940      123.7665       6.974000      116.3276 3.060296 111.2228 3.135148 5.104813       4.381160 
1 1 1 20 1  12 o 82.50584 2.457841 68.18848       4.054470      73.04137       5.859605      63.37101       5.605271      85.43475 3.429287 79.57693 3.521920 5.857819       4.915682 
1 1 1 20 1  13 o 98.36540 2.268670 96.91621       4.463954      101.1669       6.439118      92.59465       6.184076      100.5425 3.202187 96.18828 3.214568 4.354248       4.537339 
1 1 1 20 1  14 o 248.8855 2.372496 620.1078       11.80989      631.4431       16.91783      608.8434       16.48567      251.1522 3.368043 246.6188 3.342339 4.533356       4.744992 
1 1 1 20 1  15 o 121.4930 2.343709 147.7830       5.688159      150.7585       7.573349      144.8075       8.487252      122.7251 3.085493 120.2608 3.528685 2.464279       4.687418 
1 1 1 20 1  16 o 42.52413 4.410124 18.56852       3.523131      21.73530       4.315888      15.40174       5.569848      46.56691 4.634072 38.48135 7.504809 8.085556       8.820249 
1 1 1 20 1  17 o 137.6702 2.219154 189.7234       6.113939      188.1648       7.545012      191.3528       9.627860      137.1108 2.751429 138.2296 3.482560 -1.118820      4.438309 
1 1 1 20 1  18 o 49.99290 3.567221 25.19254       3.613812      21.74947       4.304553      28.64271       5.806470      46.57082 4.621513 53.41498 5.435246 -6.844166      7.134443 
1 1 1 20 1  19 o 73.86729 3.020176 54.82709       4.373981      59.92085       4.974748      49.73331       7.197870      77.34921 3.215772 70.38538 5.113186 6.963829       6.040353 
1 1 1 20 1  20 o 110.4276 2.428870 122.3496       5.388484      113.9899       6.880484      130.7094       8.295970      106.6646 3.225288 114.1905 3.632514 -7.525864      4.857740 
1 1 1 20 1  21 o 151.0216 2.156151 228.5466       6.512797      231.3095       9.238212      225.7836       9.181536      151.9355 3.040176 150.1078 3.058314 1.827637       4.312303 
1 1 1 20 1  22 o 244.8206 2.414519 600.9796       11.82406      603.5300       16.83990      598.5001       16.59903      245.3294 3.432100 244.3117 3.397100 1.017624       4.829037 
1 1 1 20 1  23 o 133.3256 2.204418 178.4590       5.878025      165.9902       8.090520      190.8569       8.529759      128.6718 3.143859 137.9795 3.090952 -9.307709      4.408836 
1 1 1 20 1  24 o 141.2841 2.164719 200.1376       6.118898      201.2003       8.621859      199.1458       8.678535      141.6490 3.043389 140.9193 3.079257 0.7296753      4.329438 
1 1 1 20 1  25 o 30.89948 5.407483 10.10961       3.346726      11.76738       4.716872      8.451830       4.748044      33.39750 7.264428 28.40146 8.011964 4.996038       10.81497 
1 1 1 20 1  26 o 40.85582 4.171268 16.89658       3.409070      17.30748       4.886192      16.48567       4.754420      41.35193 5.908059 40.35971 5.890057 0.9922180      8.342537 
1 1 1 20 1  27 o 42.91972 4.213114 18.70313       3.611687      20.16962       5.172406      17.23663       5.042051      44.62061 5.795984 41.21883 6.116199 3.401775       8.426229 
1 1 1 20 1  28 o 153.2608 2.280205 235.9144       6.988877      227.5547       9.776634      244.3450       9.989170      150.5289 3.247427 155.9928 3.201806 -5.463852      4.560410 
1 1 1 20 1  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 1  30 o 175.3508 2.329093 309.3100       8.168448      304.9885       11.49817      313.6316       11.60444      174.1233 3.301733 176.5783 3.285919 -2.455002      4.658186 
1 1 1 20 1  31 o 83.56073 2.774641 70.55471       4.637525      67.20374       6.427074      73.89152       6.687077      81.57609 3.939313 85.54538 3.908497 -3.969292      5.549283 
1 1 1 20 1  32 o 59.63792 3.545711 36.39317       4.201828      31.42692       5.905654      41.35941       5.979333      55.48104 5.322227 63.79479 4.686380 -8.313744      7.091422 
1 1 1 20 1  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 1  34 o 38.52391 5.062736 16.06769       3.754794      16.10311       5.290009      16.02518       5.331100      38.58474 7.122673 38.46308 7.196715 0.1216621      10.12547 
1 1 1 20 1  35 o 50.68025 4.426794 26.99201       4.491584      26.45359       5.824891      27.52335       6.837976      50.35686 5.783612 51.00364 6.703420 -0.6467781     8.853587 
1 1 1 20 1  36 o 40.59647 5.581264 18.58269       4.405153      15.23171       5.569848      21.94075       6.825224      36.86434 7.794748 44.32859 7.990240 -7.464249      11.16253 
1 1 1 20 1  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 1  38 o 31.35334 6.207702 12.29164       4.087767      12.15703       5.136275      12.43333       6.359772      31.61509 8.089503 31.09159 9.418183 0.5235062      12.41540 
1 1 1 20 1  39 f 64.08794 3.534672 44.28532       4.489459      46.63030       5.681783      41.94743       6.952746      66.40609 4.278059 61.76978 5.627951 4.636311       7.069344 
1 1 1 20 1  40 o 21.73651 5.857455 5.565597       3.741333      1.129272       4.571640      10.00334       5.923365      16.70967 7.283957 26.76334 9.175134 -10.05367      11.71491 
1 1 1 20 2  0  o 25.29274 10.95549 9.160281       5.677533      9.160281       5.677533      9.160281       5.677533      25.29274 10.95549 25.29274 10.95549 0.000000       0.000000 
1 1 1 20 2  1  o 288.9984 2.644297 835.2646       15.28131      840.9323       21.72113      830.3055       21.50859      289.9170 3.746094 288.0799 3.733096 1.837158       5.288594 
1 1 1 20 2  2  o 339.3385 2.912549 1152.651       19.76581      1131.397       27.53044      1173.196       28.38058      336.2622 4.093596 342.4148 4.144181 -6.152618      5.825098 
1 1 1 20 2  3  o 350.1874 3.206090 1227.039       22.49334      1255.377       34.49452      1199.409       28.88358      354.1598 4.869908 346.2150 4.171336 7.944824       6.412180 
1 1 1 20 2  4  o 302.8629 2.711786 918.1536       16.42900      906.8183       23.03177      928.7803       23.42850      301.0515 3.825220 304.6744 3.844842 -3.622864      5.423571 
1 1 1 20 2  5  o 121.4168 2.327319 147.4997       5.649903      150.6877       8.005506      144.3116       7.977167      122.7295 3.261443 120.1040 3.320941 2.625504       4.654639 
1 1 1 20 2  6  o 306.8613 2.719299 942.2409       16.69112      953.5761       23.81815      930.9057       23.38599      308.7066 3.857733 305.0160 3.833568 3.690552       5.438598 
1 1 1 20 2  7  o 480.9725 10.85569 2325.139       104.4258      2325.139       104.4258      ?              ?             480.9725 10.85569 ?        ?        ?              ?        
1 1 1 20 2  8  o 162.6647 2.164990 264.6776       7.042011      263.4024       9.911241      266.0237       10.01042      162.2622 3.054082 163.0672 3.069416 -0.8050385     4.329981 
1 1 1 20 2  9  o 120.7751 2.214221 145.9411       5.346686      143.8157       7.594603      148.0664       7.530843      119.8950 3.167190 121.6552 3.095158 -1.760223      4.428442 
1 1 1 20 2  10 o 228.6582 2.300783 523.1917       10.52051      510.1561       14.60119      536.2272       15.16087      225.8100 3.233071 231.5065 3.274394 -5.696518      4.601565 
1 1 1 20 2  11 o 208.4347 2.219541 434.6352       9.252379      434.1392       13.09927      435.2019       13.07094      208.3072 3.144221 208.5623 3.133580 -0.2551575     4.439082 
1 1 1 20 2  12 o 195.8890 2.173084 383.9100       8.515590      384.4059       12.05785      383.4850       12.02243      196.0063 3.075882 195.7716 3.070524 0.2347412      4.346167 
1 1 1 20 2  13 o 68.73824 2.757976 47.34583       3.788092      50.08045       5.400528      44.61121       5.314805      70.72673 3.817883 66.74974 3.981143 3.976990       5.515953 
1 1 1 20 2  14 o 74.13101 2.766745 55.03962       4.111854      53.92735       5.022923      56.15189       6.511380      73.39453 3.421865 74.86750 4.348602 -1.472969      5.533489 
1 1 1 20 2  15 o 49.63538 3.809662 24.88083       3.666946      29.07486       4.522048      20.69388       5.773882      53.87309 4.196945 45.39768 6.359226 8.475410       7.619324 
1 1 1 20 2  16 f 178.2626 2.468043 318.2365       8.798972      317.1739       12.39791      319.2284       12.49000      177.9753 3.483041 178.5498 3.497625 -0.5744934     4.936087 
1 1 1 20 2  17 o 76.23104 2.852726 58.22765       4.351311      57.76007       5.734918      58.69523       6.546094      75.93428 3.776237 76.52780 4.276939 -0.5935211     5.705451 
1 1 1 20 2  18 o 52.96742 3.646832 28.36641       3.751252      33.24055       4.713330      23.48518       5.837643      57.59047 4.092109 48.34436 6.037563 9.246109       7.293664 
1 1 1 20 2  19 o 225.5399 2.712008 509.9436       12.15703      524.3961       13.41808      495.4203       20.28297      228.8485 2.931650 222.2313 4.563483 6.617233       5.424016 
1 1 1 20 2  20 o 114.1204 2.411060 130.4968       5.491210      133.4015       7.055471      127.6630       8.416408      115.3990 3.056990 112.8417 3.729297 2.557236       4.822121 
1 1 1 20 2  21 o 133.2510 2.224676 177.9631       5.913447      181.5053       7.332476      174.4208       9.280719      134.6137 2.723525 131.8883 3.518400 2.725372       4.449351 
1 1 1 20 2  22 o 109.6393 2.288926 120.7910       5.022923      131.7720       7.396237      109.7392       6.797595      114.6518 3.225521 104.6267 3.248498 10.02509       4.577852 
1 1 1 20 2  23 o 150.5885 2.181477 227.3422       6.570182      228.3340       9.394071      226.3504       9.188620      150.9136 3.112400 150.2634 3.057504 0.6502533      4.362954 
1 1 1 20 2  24 o 95.94825 2.403892 92.45296       4.610604      87.21041       6.447619      97.69550       6.591435      93.21994 3.458283 98.67656 3.339920 -5.456619      4.807784 
1 1 1 20 2  25 o 140.7558 2.198576 198.7207       6.187618      199.2875       8.784801      198.1540       8.721042      140.9556 3.116160 140.5560 3.102337 0.3995667      4.397152 
1 1 1 20 2  26 o 159.8759 2.194111 256.4596       7.015089      259.5768       10.01751      253.3424       9.826226      160.8457 3.114012 158.9062 3.091833 1.939529       4.388223 
1 1 1 20 2  27 o 123.0715 2.293581 152.1046       5.647778      149.1999       7.856731      155.0092       8.111773      121.8996 3.222624 124.2435 3.264466 -2.343918      4.587161 
1 1 1 20 2  28 f 86.24536 2.753795 74.81251       4.750169      75.87518       6.759338      73.82067       6.675741      86.83757 3.891944 85.65314 3.896962 1.184425       5.507589 
1 1 1 20 2  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 2  30 o 80.29254 2.884338 65.11381       4.628315      61.05438       6.475249      69.18032       6.614106      77.77016 4.163068 82.81492 3.993306 -5.044754      5.768676 
1 1 1 20 2  31 o 74.35352 3.341688 56.32192       4.889026      63.93069       6.444077      48.71315       7.353730      79.53799 4.050943 69.16903 5.315767 10.36897       6.683376 
1 1 1 20 2  32 o 127.2149 2.618332 163.5107       6.649529      166.9821       8.706873      160.0392       10.05293      128.6721 3.383357 125.7578 3.996942 2.914291       5.236664 
1 1 1 20 2  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 2  34 o 27.82554 6.165535 7.955913       4.077848      11.42024       5.334641      4.490167       6.168490      32.04099 8.270784 23.61009 9.146007 8.430893       12.33107 
1 1 1 20 2  35 o 79.52905 3.188496 64.99337       5.047719      68.57105       6.723916      61.41568       7.530843      81.89816 4.105047 77.15995 4.880021 4.738205       6.376991 
1 1 1 20 2  36 o 44.54855 5.212307 22.28081       4.479541      14.65787       5.754045      29.90375       6.866314      35.98294 8.178800 53.11417 6.463732 -17.13122      10.42461 
1 1 1 20 2  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 2  38 o 49.69302 4.281146 27.09828       4.257087      26.57403       5.488376      27.62962       6.507838      49.57076 5.535901 49.81527 6.531971 -0.2445107     8.562291 
1 1 1 20 2  39 o 52.56987 4.009016 30.53427       4.238667      27.49501       5.389193      33.57353       6.544678      50.19778 5.367959 54.94196 5.955992 -4.744179      8.018031 
1 1 1 20 2  40 o 14.77578 4.789474 -1.799468      3.279423      -4.262754      4.747335      0.6630400      4.525590      13.30798 6.362486 16.24359 7.160656 -2.935608      9.578947 
1 1 1 20 3  0  f 327.8155 4.026466 1075.430       26.38983      1075.430       26.38983      1075.430       26.38983      327.8155 4.026466 327.8155 4.026466 0.000000       0.000000 
1 1 1 20 3  1  o 205.9991 2.318132 424.5752       9.549930      418.9784       13.42516      430.1011       13.58811      204.6498 3.280033 207.3485 3.276634 -2.698730      4.636265 
1 1 1 20 3  2  o 352.2382 2.982300 1241.916       21.01268      1228.455       29.42200      1254.668       30.00293      350.3800 4.198585 354.0964 4.236549 -3.716400      5.964601 
1 1 1 20 3  3  o 318.1965 2.792103 1013.086       17.76797      1017.337       25.17129      1008.835       25.08628      318.8641 3.947025 317.5289 3.950235 1.335236       5.584207 
1 1 1 20 3  4  o 229.9500 2.378968 529.0010       10.93850      527.8674       15.50801      530.1345       15.43716      229.7032 3.375662 230.1967 3.353039 -0.4934082     4.757936 
1 1 1 20 3  5  o 51.29310 3.809254 26.35441       3.907820      25.13587       5.430283      27.57294       5.620856      50.10630 5.418762 52.47989 5.355248 -2.373589      7.618508 
1 1 1 20 3  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 3  7  o 217.6363 2.305231 473.8834       10.03168      476.7881       14.23988      470.9787       14.14070      218.3032 3.261491 216.9693 3.258686 1.333908       4.610462 
1 1 1 20 3  8  o 149.3828 2.157985 223.3748       6.449036      212.7481       8.905238      234.0016       9.330310      145.8274 3.053349 152.9382 3.050354 -7.110779      4.315970 
1 1 1 20 3  9  o 189.7102 2.183109 360.0352       8.281801      356.4221       11.63278      363.7191       11.79572      188.7492 3.081544 190.6712 3.093210 -1.922043      4.366218 
1 1 1 20 3  10 o 199.5881 2.367881 398.5750       9.450747      401.2671       12.46875      395.8829       14.19737      200.2695 3.112993 198.9066 3.568853 1.362839       4.735762 
1 1 1 20 3  11 o 488.0654 4.095581 2386.774       39.91418      2451.952       53.67231      2321.596       59.09196      494.7842 5.423810 481.3466 6.138193 13.43762       8.191161 
1 1 1 20 3  12 o 347.9267 3.025501 1212.161       21.12603      1181.698       25.12170      1242.624       33.97026      343.6097 3.655558 352.2437 4.821982 -8.634064      6.051001 
1 1 1 20 3  13 o 208.6064 2.303941 435.5562       9.606606      437.1147       11.76030      433.9975       15.19629      209.0034 2.813424 208.2095 3.649278 0.7938232      4.607883 
1 1 1 20 3  14 o 219.7511 2.693822 483.7309       11.91616      469.1368       12.37665      498.2542       20.36799      216.5103 2.858213 222.9918 4.566982 -6.481445      5.387643 
1 1 1 20 3  15 o 236.0333 2.421469 557.8349       11.44150      552.9466       13.88566      562.6524       18.19304      235.0429 2.953856 237.0237 3.837810 -1.980865      4.842938 
1 1 1 20 3  16 o 193.4578 2.836610 375.0544       11.02351      390.2861       17.32165      359.8935       13.63061      197.3441 4.388692 189.5716 3.595110 7.772491       5.673221 
1 1 1 20 3  17 o 278.8491 2.638153 778.5886       14.68620      789.9238       18.27806      767.9618       22.99634      280.8720 3.253805 276.8261 4.153572 4.045898       5.276306 
1 1 1 20 3  18 o 414.1894 3.973591 1722.955       32.99968      1700.284       34.69997      1745.625       56.13771      411.8506 4.212689 416.5283 6.738765 -4.677734      7.947182 
1 1 1 20 3  19 o 143.2296 2.224898 205.4510       6.356938      209.9143       7.899237      201.0586       9.960832      144.8004 2.727631 141.6589 3.515781 3.141449       4.449796 
1 1 1 20 3  20 o 191.2872 2.296065 366.6946       8.756464      374.9127       10.79680      358.4766       13.79356      193.4816 2.790137 189.0927 3.647300 4.388931       4.592131 
1 1 1 20 3  21 o 113.9208 2.306847 130.2134       5.212080      139.4233       6.659447      121.0744       8.019674      117.9721 2.822467 109.8695 3.649636 8.102592       4.613693 
1 1 1 20 3  22 o 88.42993 2.552561 78.49645       4.479541      82.81801       5.528049      74.17490       7.049803      90.90533 3.040553 85.95452 4.100892 4.950813       5.105123 
1 1 1 20 3  23 o 181.6720 2.268223 330.9887       8.253463      326.8796       10.01751      335.0977       13.12053      180.6085 2.773265 182.7354 3.590035 -2.126846      4.536447 
1 1 1 20 3  24 o 100.3522 2.378790 101.0961       4.770715      95.21592       6.684242      107.0471       6.808930      97.40793 3.431057 103.2965 3.295819 -5.888565      4.757580 
1 1 1 20 3  25 o 171.1816 2.213834 294.0075       7.580434      297.3372       10.78972      290.6069       10.64803      172.1609 3.133614 170.2023 3.128052 1.958664       4.427668 
1 1 1 20 3  26 o 147.2905 2.214098 217.7072       6.522716      219.8326       9.330310      215.5110       9.117774      148.0184 3.151741 146.5626 3.110538 1.455719       4.428196 
1 1 1 20 3  27 o 116.8281 2.351648 137.2271       5.496169      146.0827       7.948828      128.3715       7.587519      120.6063 3.295363 113.0499 3.355827 7.556343       4.703296 
1 1 1 20 3  28 o 43.83372 5.056384 19.68079       4.463954      17.67587       5.603854      21.68571       6.949204      41.64806 6.727630 46.01937 7.550302 -4.371319      10.11277 
1 1 1 20 3  29 o 60.55461 8.909083 38.34849       10.78972      38.34849       10.78972      ?              ?             60.55461 8.909083 ?        ?        ?              ?        
1 1 1 20 3  30 o 96.49164 2.839066 93.94070       5.484834      92.31127       7.112856      95.57014       8.352647      95.71567 3.715617 97.26760 4.293643 -1.551933      5.678132 
1 1 1 20 3  31 f 50.01608 4.285851 25.69555       4.305970      22.96092       5.579058      28.42308       6.560264      47.38327 5.887160 52.64889 6.230202 -5.265617      8.571702 
1 1 1 20 3  32 o 61.37219 3.745636 38.47602       4.583683      39.62371       5.967998      37.32832       6.959122      62.40656 4.781547 60.33783 5.766798 2.068737       7.491272 
1 1 1 20 3  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 3  34 f 81.63582 3.153789 68.13181       5.156821      66.38193       6.731709      69.87460       7.814223      80.70000 4.170824 82.57165 4.731783 -1.871651      6.307579 
1 1 1 20 3  35 o 70.61967 3.463495 51.56112       4.903194      49.26574       6.429908      53.84941       7.403321      69.16209 4.648434 72.07726 5.135684 -2.915161      6.926990 
1 1 1 20 3  36 o 60.93138 3.645418 38.68147       4.440576      42.81882       6.505004      34.54411       6.045928      64.23981 5.063063 57.62295 5.246111 6.616859       7.290836 
1 1 1 20 3  37 o 64.46274 4.774609 48.45102       6.142277      45.26299       8.692703      51.63196       8.678535      61.98407 7.012047 66.94141 6.482187 -4.957336      9.549217 
1 1 1 20 3  38 o 17.71975 5.351055 0.9585353      3.428906      3.263837       5.056929      -1.346767      4.633275      20.04038 8.111176 15.39913 6.981689 4.641252       10.70211 
1 1 1 20 3  39 o 16.33272 5.070977 -0.4043134     3.336099      2.846559       4.815347      -3.655611      4.618397      19.00631 7.837362 13.65913 6.437002 5.347175       10.14195 
1 1 1 20 3  40 o 38.72054 4.826456 18.22846       3.540134      13.17720       5.100852      23.27264       4.909571      31.81838 8.014212 45.62270 5.380623 -13.80432      9.652911 
1 1 1 20 4  0  o 126.3353 3.316416 159.9684       8.366816      159.9684       8.366816      159.9684       8.366816      126.3353 3.316416 126.3353 3.316416 0.000000       0.000000 
1 1 1 20 4  1  o 168.6429 2.257580 284.5143       7.615856      283.4516       10.76847      285.5769       10.76847      168.3278 3.198659 168.9580 3.186729 -0.6301422     4.515159 
1 1 1 20 4  2  o 185.2051 2.263866 343.2449       8.388069      331.4137       11.62569      355.0760       12.09327      182.0124 3.193654 188.3977 3.209506 -6.385269      4.527732 
1 1 1 20 4  3  o 266.4854 2.547192 710.5771       13.57394      714.1194       19.24155      706.8932       19.15654      267.1630 3.601089 265.8077 3.603458 1.355255       5.094384 
1 1 1 20 4  4  o 96.56366 2.517404 93.30310       4.861396      95.28677       6.893235      91.31944       6.856396      97.59065 3.531709 95.53666 3.588359 2.053993       5.034808 
1 1 1 20 4  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 4  6  o 284.4330 3.231111 809.7604       18.39141      807.6351       21.24647      811.8857       30.01710      284.1026 3.739225 284.7635 5.270531 -0.6609802     6.462221 
1 1 1 20 4  7  o 138.5444 2.198631 192.0613       6.092685      187.1729       8.558097      196.9496       8.671450      136.7806 3.128404 140.3081 3.090146 -3.527527      4.397262 
1 1 1 20 4  8  o 231.2879 2.678057 535.3770       12.39082      525.9546       17.22246      544.7286       17.81756      229.2613 3.756078 233.3146 3.818356 -4.053314      5.356114 
1 1 1 20 4  9  o 289.3381 2.681372 838.0985       15.52926      833.1393       18.93692      842.3492       24.61161      288.5677 3.281191 290.1085 4.241794 -1.540802      5.362745 
1 1 1 20 4  10 o 218.7091 2.362528 478.8426       10.39299      459.1476       12.34123      498.4667       16.71946      214.2329 2.880331 223.1854 3.745644 -8.952560      4.725056 
1 1 1 20 4  11 o 437.4813 3.591053 1917.071       31.44109      1905.735       38.23514      1927.697       49.92460      436.3098 4.381651 438.6528 5.690674 -2.343018      7.182105 
1 1 1 20 4  12 f 261.5750 2.547738 685.0020       13.28347      705.7596       16.64153      664.2444       20.70096      265.5686 3.133189 257.5815 4.018333 7.987152       5.095476 
1 1 1 20 4  13 o 145.0470 2.319736 210.8353       6.764297      197.5164       8.551013      224.0833       10.47800      140.4822 3.043452 149.6119 3.501729 -9.129700      4.639472 
1 1 1 20 4  14 o 76.56318 3.201079 58.80150       4.825974      62.74049       5.256004      54.86250       8.097604      79.16602 3.319609 73.96034 5.474288 5.205673       6.402158 
1 1 1 20 4  15 o 139.6612 2.188967 195.2493       6.108980      195.9578       7.502505      194.5409       9.649114      139.9322 2.680765 139.3903 3.461185 0.5418396      4.377934 
1 1 1 20 4  16 o 17.50493 5.165081 -1.971621      3.436699      -7.977167      4.579432      4.036050       5.125648      12.22002 5.935107 22.78984 8.454983 -10.56982      10.33016 
1 1 1 20 4  17 o 18.38749 5.290890 -0.4263463     3.424656      3.543676       4.164279      -4.396652      5.438076      20.90822 7.639782 15.86676 7.321735 5.041460       10.58178 
1 1 1 20 4  18 o 266.6003 3.840564 713.4109       20.28297      732.5391       17.25080      694.9912       36.71906      270.4636 3.189117 262.7371 6.987794 7.726471       7.681129 
1 1 1 20 4  19 o 134.6360 2.276340 181.7179       6.168490      172.9331       7.289969      190.4318       9.953747      131.4216 2.773505 137.8505 3.610341 -6.428955      4.552680 
1 1 1 20 4  20 o 192.1578 2.288618 370.0952       8.827310      359.8935       10.41424      380.2969       14.26113      189.5652 2.746876 194.7503 3.661389 -5.185150      4.577237 
1 1 1 20 4  21 o 204.1916 2.452061 418.0574       10.01751      416.6405       13.19846      419.5451       15.06877      203.8730 3.236930 204.5101 3.684113 -0.6370850     4.904122 
1 1 1 20 4  22 o 86.66223 2.590609 75.30843       4.486625      75.80434       5.459329      74.88335       7.119940      86.96378 3.138852 86.36069 4.122211 0.6030807      5.181218 
1 1 1 20 4  23 o 130.4354 2.248244 170.5952       5.875899      168.2573       7.141194      173.0039       9.330310      129.5746 2.755630 131.2962 3.553154 -1.721558      4.496488 
1 1 1 20 4  24 o 83.14757 2.685193 69.44244       4.446952      71.41194       5.411863      67.47295       7.057597      84.37748 3.206936 81.91766 4.307738 2.459824       5.370386 
1 1 1 20 4  25 o 178.2516 2.404388 319.0158       8.579351      313.5608       11.22896      324.4709       12.97884      176.7721 3.176112 179.7310 3.610629 -2.958847      4.808776 
1 1 1 20 4  26 o 147.4535 2.434606 218.4157       7.204955      208.3557       9.202788      228.4757       11.08727      144.0970 3.193261 150.8099 3.675910 -6.712875      4.869212 
1 1 1 20 4  27 o 57.91376 3.840260 33.94901       4.458995      32.40458       5.835517      35.49343       6.743752      56.62906 5.152406 59.19847 5.695884 -2.569416      7.680520 
1 1 1 20 4  28 f 85.08689 3.173062 73.11222       5.379983      75.66265       6.927950      70.46262       8.232210      86.67893 3.996329 83.49485 4.929771 3.184082       6.346124 
1 1 1 20 4  29 o 127.9962 2.747066 165.2818       7.034926      163.9357       9.174451      166.5570       10.66928      127.5670 3.595935 128.4254 4.153883 -0.8584442     5.494133 
1 1 1 20 4  30 o 47.60913 4.605580 23.25847       4.338559      25.54677       5.718623      20.96309       6.524841      50.08866 5.708500 45.12960 7.229004 4.959061       9.211161 
1 1 1 20 4  31 o 30.26100 6.193633 9.847479       3.986458      9.783719       5.104395      9.911241       6.125274      30.10138 8.240712 30.42062 9.248513 -0.3192387     12.38727 
1 1 1 20 4  32 o 104.7961 2.588611 110.9436       5.424615      109.9517       7.679617      112.0062       7.665448      104.3050 3.681329 105.2873 3.640255 -0.9822769     5.177223 
1 1 1 20 4  33 o 105.6847 4.270339 115.8319       9.054014      119.3033       14.69329      112.4313       10.57718      106.6850 6.886298 104.6844 5.051940 2.000595       8.540679 
1 1 1 20 4  34 o 76.41806 3.030710 59.75791       4.629732      65.43969       6.752253      54.07613       6.337101      80.08479 4.215691 72.75134 4.355316 7.333443       6.061421 
1 1 1 20 4  35 o 51.63261 3.998807 27.91300       4.128857      27.74297       5.972957      28.07594       5.700912      51.41502 5.808572 51.85021 5.497482 -0.4351883     7.997613 
1 1 1 20 4  36 o 26.48505 6.261233 7.665448       3.992834      5.321890       5.661238      10.01042       5.632900      23.54557 8.855702 29.42453 8.853739 -5.878967      12.52247 
1 1 1 20 4  37 o 78.09561 3.126166 64.29908       4.853603      54.85543       6.737377      73.74983       6.988169      72.11626 4.671191 84.07496 4.155915 -11.95870      6.252332 
1 1 1 20 4  38 o 73.32656 3.034780 56.56279       4.448369      64.71707       6.603478      48.41560       5.960914      78.70988 4.194822 67.94324 4.386686 10.76665       6.069560 
1 1 1 20 4  39 o 35.65794 5.162992 15.28131       3.557845      14.07694       5.159654      16.47859       4.901069      33.81277 7.785616 37.50310 6.783075 -3.690323      10.32598 
1 1 1 20 4  40 o 31.50905 5.528562 12.85840       3.472831      13.41808       4.993877      12.29164       4.826682      32.22620 7.817098 30.79189 7.820035 1.434305       11.05712 
1 1 1 20 5  0  o 316.7177 3.952786 1003.876       25.02960      1003.876       25.02960      1003.876       25.02960      316.7177 3.952786 316.7177 3.952786 0.000000       0.000000 
1 1 1 20 5  1  o 340.8412 2.922542 1162.569       19.92166      1145.567       27.87758      1179.572       28.47268      338.3494 4.119644 343.3330 4.146510 -4.983673      5.845084 
1 1 1 20 5  2  o 208.3133 2.324837 434.1392       9.684536      437.9649       13.75813      430.3136       13.63770      209.2311 3.287784 207.3954 3.287849 1.835693       4.649674 
1 1 1 20 5  3  o 398.9884 3.265687 1593.308       26.05686      1601.101       36.98118      1585.515       36.72614      399.9638 4.623066 398.0130 4.613686 1.950806       6.531373 
1 1 1 20 5  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 5  5  o 174.3574 2.474646 304.2092       8.636027      301.4463       11.22188      306.9013       13.12761      173.5825 3.232434 175.1323 3.747914 -1.549805      4.949291 
1 1 1 20 5  6  o 327.2079 2.923895 1071.179       19.17071      1057.010       23.18763      1086.057       30.52719      325.0229 3.567076 329.3929 4.633856 -4.370026      5.847791 
1 1 1 20 5  7  o 154.5916 2.374370 239.1733       7.325392      246.8955       9.684536      231.4512       10.98809      157.0943 3.082397 152.0889 3.612390 5.005356       4.748740 
1 1 1 20 5  8  o 238.4967 2.454062 569.0993       11.71071      566.1238       14.24696      572.1456       18.59686      237.8832 2.994530 239.1103 3.888762 -1.227097      4.908123 
1 1 1 20 5  9  o 161.2841 2.218091 260.4977       7.098687      276.5796       9.018591      244.4159       10.97392      166.2771 2.711917 156.2912 3.510728 9.985855       4.436181 
1 1 1 20 5  10 o 433.2835 3.566533 1880.231       30.90975      1878.106       37.80299      1881.648       48.91151      433.1528 4.363702 433.4143 5.642581 -0.2615356     7.133065 
1 1 1 20 5  11 o 194.1871 2.269843 377.3214       8.834394      371.0870       10.70471      383.6266       14.05568      192.5895 2.779152 195.7847 3.589577 -3.195206      4.539686 
1 1 1 20 5  12 o 80.96466 2.697353 65.63097       4.378232      64.49036       5.233334      66.77866       7.020049      80.27166 3.259764 81.65767 4.298463 -1.386009      5.394705 
1 1 1 20 5  13 o 78.94527 2.670792 62.43586       4.237958      59.80042       5.138401      65.07130       6.740210      77.29036 3.324089 80.60018 4.181263 -3.309822      5.341585 
1 1 1 20 5  14 o 215.1439 2.344326 463.5400       10.03876      480.8262       12.65295      446.2538       15.60011      219.1856 2.886355 211.1022 3.694918 8.083420       4.688653 
1 1 1 20 5  15 o 223.7723 2.381040 501.3713       10.66928      495.7745       13.00009      506.9681       16.92491      222.5573 2.920617 224.9873 3.761304 -2.430084      4.762081 
1 1 1 20 5  16 o 173.9869 2.344091 303.0757       8.161365      302.7214       10.71179      303.5007       12.30581      173.8907 3.080037 174.0832 3.534462 -0.1925354     4.688181 
1 1 1 20 5  17 o 67.78339 3.122251 46.15564       4.257087      42.02536       5.404070      50.28591       6.579392      64.75362 4.172794 70.81316 4.645600 -6.059532      6.244502 
1 1 1 20 5  18 o 216.5144 2.887608 469.3493       12.50417      469.3493       12.50417      ?              ?             216.5144 2.887608 ?        ?        ?              ?        
1 1 1 20 5  19 o 172.8163 2.279124 299.2500       7.849646      307.5389       9.663282      290.9612       12.36957      175.2520 2.756967 170.3806 3.629981 4.871399       4.558249 
1 1 1 20 5  20 o 59.33344 3.278791 35.38008       3.912071      33.89233       4.638942      36.86783       6.300971      58.11996 3.990834 60.54692 5.203378 -2.426956      6.557583 
1 1 1 20 5  21 o 36.35371 5.015864 13.87857       3.551468      12.00117       4.370439      15.75597       5.598895      33.89553 6.684945 38.81189 7.479778 -4.916355      10.03173 
1 1 1 20 5  22 o 179.2892 2.285771 322.7706       8.118857      347.4956       10.42133      297.9748       12.46167      186.2341 2.797910 172.3442 3.615342 13.88992       4.571542 
1 1 1 20 5  23 o 80.63525 3.059791 65.39010       4.958454      63.70398       5.192952      67.07622       8.451830      79.69082 3.258187 81.57968 5.180107 -1.888863      6.119583 
1 1 1 20 5  24 o 106.7558 2.745942 114.4858       5.885109      112.2188       6.204620      116.7529       10.00334      105.7999 2.932244 107.7117 4.643569 -1.911873      5.491884 
1 1 1 20 5  25 o 25.75500 5.921841 5.530175       3.942534      8.678535       4.233708      2.381815       6.652362      28.64080 7.353884 22.86921 9.284029 5.771593       11.84368 
1 1 1 20 5  26 o 22.09433 6.147936 3.293592       4.113271      0.5290010      4.221664      6.058680       7.060431      17.27086 7.243456 26.91779 9.935835 -9.646931      12.29587 
1 1 1 20 5  27 o 113.4491 2.673690 129.8592       6.006963      144.9492       8.140111      114.7692       8.834394      120.1251 3.388180 106.7732 4.136992 13.35198       5.347379 
1 1 1 20 5  28 o 92.92130 3.098233 87.77718       5.812847      72.89968       7.197870      102.6547       9.124859      85.01721 4.233184 100.8254 4.525080 -15.80817      6.196467 
1 1 1 20 5  29 o 125.9995 2.485802 159.8976       6.266964      165.2818       9.025676      154.5133       8.692703      128.1198 3.522357 123.8792 3.508540 4.240616       4.971604 
1 1 1 20 5  30 o 40.62814 5.028058 17.55543       3.902152      12.88674       5.573390      22.22413       5.463580      34.57317 8.178154 46.68310 5.851776 -12.10992      10.05612 
1 1 1 20 5  31 o 119.4162 2.412318 143.7449       5.761130      142.6113       8.189702      144.8784       8.104689      118.9366 3.442887 119.8958 3.379890 -0.9591827     4.824637 
1 1 1 20 5  32 o 119.1989 2.456262 143.4615       5.854646      142.6113       8.444746      144.3825       8.111773      118.8036 3.554078 119.5942 3.391375 -0.7905502     4.912524 
1 1 1 20 5  33 o 135.1422 2.441710 184.7642       6.599228      184.4809       9.542846      185.0476       9.117774      135.0015 3.534348 135.2829 3.369891 -0.2814484     4.883419 
1 1 1 20 5  34 o 58.07391 3.646138 34.76373       4.235834      35.02586       6.187618      34.50160       5.785926      58.23972 5.312198 57.90811 4.995782 0.3316116      7.292275 
1 1 1 20 5  35 o 66.57548 3.544329 46.07062       4.693493      43.38559       7.030676      48.74857       6.218790      64.40599 5.458092 68.74496 4.523088 -4.338974      7.088659 
1 1 1 20 5  36 f 40.38409 6.027125 19.63828       4.731040      22.64212       6.937868      16.63445       6.434159      43.81150 8.221031 36.95670 8.815873 6.854801       12.05425 
1 1 1 20 5  37 o 85.23095 3.097878 75.73349       5.298511      81.54280       8.012589      69.96670       6.933618      88.37259 4.533413 82.08931 4.223216 6.283279       6.195756 
1 1 1 20 5  38 o 84.46241 2.979007 74.59997       5.034258      75.66265       7.630026      73.53729       6.572307      84.80564 4.498537 84.11918 3.906545 0.6864624      5.958014 
1 1 1 20 5  39 o 45.51359 4.317828 23.41433       3.951744      25.45467       6.128817      21.36691       4.990335      47.16482 6.497232 43.86236 5.688631 3.302464       8.635656 
1 1 1 20 5  40 o 44.44031 4.419272 23.08844       3.901444      22.79089       6.090560      23.38599       4.879108      43.28902 7.034763 45.59160 5.350884 -2.302582      8.838544 
1 1 1 20 6  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 6  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 6  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 6  3  o 597.5839 13.08229 3597.518       156.3553      3597.518       156.3553      ?              ?             597.5839 13.08229 ?        ?        ?              ?        
1 1 1 20 6  4  o 51.00870 4.027038 26.24814       4.159320      21.82031       5.034258      30.66888       6.621190      46.68200 5.392076 55.33540 5.982780 -8.653393      8.054076 
1 1 1 20 6  5  o 331.4569 2.949460 1099.517       19.56035      1095.266       23.81815      1103.768       31.03727      330.8499 3.599540 332.0639 4.673389 -1.213989      5.898920 
1 1 1 20 6  6  o 161.6244 2.287114 261.6313       7.332476      279.8385       9.316141      243.4949       11.32106      167.2534 2.785037 155.9953 3.628655 11.25816       4.574229 
1 1 1 20 6  7  o 173.5877 2.269317 301.4463       7.870899      304.7051       9.606606      298.2582       12.46167      174.5269 2.752186 172.6485 3.608971 1.878357       4.538634 
1 1 1 20 6  8  o 246.1300 2.498199 606.3639       12.35540      584.4728       14.59411      628.2551       19.95000      241.7056 3.018984 250.5545 3.981171 -8.848862      4.996397 
1 1 1 20 6  9  o 68.07285 3.085959 46.40359       4.179866      48.11096       5.115022      44.68914       6.611980      69.33781 3.688479 66.80788 4.948504 2.529938       6.171918 
1 1 1 20 6  10 o 34.77482 5.314716 12.87965       3.673322      8.869816       4.325098      16.89658       5.938243      29.17099 7.399095 40.37865 7.631398 -11.20766      10.62943 
1 1 1 20 6  11 o 118.1514 2.293718 139.7067       5.413280      140.8402       6.726750      138.5732       8.487252      118.6414 2.834908 117.6614 3.606643 0.9800186      4.587437 
1 1 1 20 6  12 o 223.8673 2.373750 501.7964       10.59135      515.1862       13.27639      488.3358       16.51401      226.8900 2.925732 220.8447 3.738829 6.045273       4.747499 
1 1 1 20 6  13 o 202.1741 2.312766 409.2017       9.372816      402.3297       11.27147      416.0737       14.97667      200.5040 2.810784 203.8442 3.673559 -3.340164      4.625531 
1 1 1 20 6  14 o 116.1254 2.266925 134.9601       5.261672      135.5268       6.503587      134.4642       8.274716      116.3688 2.794387 115.8820 3.570322 0.4868240      4.533850 
1 1 1 20 6  15 o 72.39748 2.953861 52.53170       4.284008      51.02269       5.632900      54.03362       6.456121      71.36745 3.946407 73.42750 4.396256 -2.060043      5.907723 
1 1 1 20 6  16 o 310.9185 2.960563 968.4536       18.40558      973.4128       24.22905      964.2029       27.70755      311.7040 3.886548 310.1329 4.467044 1.571075       5.921126 
1 1 1 20 6  17 o 76.23460 3.039968 58.28432       4.632566      55.83309       6.520590      60.74265       6.582934      74.62548 4.368876 77.84371 4.228302 -3.218231      6.079936 
1 1 1 20 6  18 o 21.29446 5.305118 1.625897       3.453702      7.127024       4.174906      -3.874523      5.503253      26.27950 7.545072 16.30942 7.459825 9.970076       10.61024 
1 1 1 20 6  19 o 230.1454 2.804655 531.1971       12.89382      532.8265       13.66603      529.6385       21.87699      230.6405 2.962627 229.6504 4.763109 0.9901123      5.609311 
1 1 1 20 6  20 o 146.5656 2.602375 215.5110       7.587519      219.9743       8.033843      210.9769       12.87965      148.1954 2.710557 144.9357 4.443231 3.259766       5.204750 
1 1 1 20 6  21 o 106.5661 2.879019 114.1316       6.060805      120.7202       6.794761      107.4721       10.03876      109.7493 3.095584 103.3829 4.855137 6.366379       5.758037 
1 1 1 20 6  22 o 125.5031 2.649225 158.1264       6.694161      153.0964       6.996669      163.1564       11.41316      123.6040 2.830276 127.4022 4.479185 -3.798164      5.298449 
1 1 1 20 6  23 o 152.6810 2.570117 234.0016       7.849646      232.8681       8.416408      235.2060       13.26222      152.4267 2.760805 152.9352 4.335893 -0.5085754     5.140234 
1 1 1 20 6  24 o 121.0034 2.674675 147.1454       6.382442      156.3553       7.054762      138.0064       10.64095      124.8927 2.824329 117.1140 4.542985 7.778709       5.349350 
1 1 1 20 6  25 o 136.5628 2.625962 187.4563       7.219123      181.7179       7.630026      193.1948       12.24913      134.6110 2.834102 138.5146 4.421602 -3.903656      5.251924 
1 1 1 20 6  26 o 63.86414 3.632878 41.34525       4.748752      36.40734       4.889026      46.28316       8.140111      60.15313 4.063816 67.57516 6.023006 -7.422024      7.265755 
1 1 1 20 6  27 o 170.6683 2.360807 292.5197       8.062181      291.6696       9.925409      293.4407       12.70254      170.4994 2.910688 170.8372 3.717734 -0.3377686     4.721615 
1 1 1 20 6  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 6  29 o 89.93704 2.993469 81.68449       5.392026      83.17223       8.218040      80.19674       6.980375      90.69291 4.530696 89.18118 3.913592 1.511726       5.986937 
1 1 1 20 6  30 o 22.21063 5.784279 2.721163       3.807220      -2.035382      5.647778      7.481250       5.107938      17.56826 7.846626 26.85300 8.500706 -9.284737      11.56856 
1 1 1 20 6  31 o 100.3300 2.780266 101.8045       5.554970      96.06606       8.246379      107.6138       7.445828      97.39718 4.233377 103.2629 3.605278 -5.865723      5.560531 
1 1 1 20 6  32 o 88.84665 6.733293 86.21858       12.15703      102.5130       19.64537      69.86752       14.32489      96.89606 10.13734 80.79723 8.864719 16.09884       13.46659 
1 1 1 20 6  33 o 48.37089 4.464283 24.33532       4.270547      22.01160       6.446911      26.65196       5.601728      45.84692 7.030910 50.89485 5.503237 -5.047932      8.928567 
1 1 1 20 6  34 o 39.10292 5.464493 17.16579       4.239376      23.70480       6.563805      10.63386       5.365814      47.38477 6.926071 30.82107 8.454128 16.56371       10.92899 
1 1 1 20 6  35 o 71.78134 3.286253 53.34642       4.737417      57.29249       7.268716      49.40034       6.081350      74.31407 4.890538 69.24862 4.390954 5.065453       6.572506 
1 1 1 20 6  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 6  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 6  38 o 58.31899 4.059467 37.05203       4.691368      36.14521       7.566265      37.96593       5.552136      56.76166 6.664944 59.87632 4.636338 -3.114655      8.118935 
1 1 1 20 6  39 o 52.64751 4.011003 30.92392       4.179157      29.18822       6.441244      32.65963       5.327558      50.43660 6.385486 54.85843 4.855732 -4.421825      8.022005 
1 1 1 20 6  40 o 20.44655 5.275867 2.645359       3.622314      -4.225915      5.605271      9.514507       4.590059      14.38393 6.885647 26.50917 7.995433 -12.12525      10.55173 
1 1 1 20 7  0  o 84.29873 4.223301 71.62447       7.082392      71.62447       7.082392      71.62447       7.082392      84.29873 4.223301 84.29873 4.223301 0.000000       0.000000 
1 1 1 20 7  1  f 365.1351 3.076619 1334.015       22.46501      1338.266       31.85199      1330.473       31.69613      365.6679 4.355317 364.6023 4.346672 1.065643       6.153238 
1 1 1 20 7  2  o 274.6620 2.592643 755.2096       14.23988      758.7519       20.21213      750.9589       20.07044      275.3707 3.669986 273.9532 3.663115 1.417480       5.185287 
1 1 1 20 7  3  o 187.0358 2.345713 350.1169       8.813140      339.4901       10.48509      360.6728       14.16195      184.2184 2.845831 189.8533 3.729709 -5.634964      4.691426 
1 1 1 20 7  4  o 150.7947 2.315907 227.4839       6.969040      231.3095       8.558097      223.7291       11.00226      152.0607 2.814041 149.5287 3.678977 2.531921       4.631814 
1 1 1 20 7  5  o 259.3992 2.568676 673.3126       13.34015      666.7948       16.17395      679.8303       21.22522      258.1643 3.132493 260.6342 4.071840 -2.469940      5.137352 
1 1 1 20 7  6  o 202.7729 2.343143 411.3980       9.486169      416.5696       11.69654      406.2262       14.94125      204.0607 2.865946 201.4850 3.707781 2.575699       4.686287 
1 1 1 20 7  7  o 303.8273 2.783667 923.8211       16.89658      932.3226       20.86390      915.3197       26.58111      305.2534 3.417474 302.4012 4.395007 2.852142       5.567334 
1 1 1 20 7  8  f 116.7054 2.713901 136.7312       6.179117      152.0338       6.952037      121.4286       10.21588      123.2768 2.819685 110.1340 4.637931 13.14289       5.427802 
1 1 1 20 7  9  o 102.2575 2.429902 104.6383       4.974040      103.8590       6.092685      105.4176       7.863815      101.8851 2.989978 102.6299 3.831152 -0.7447662     4.859804 
1 1 1 20 7  10 o 188.8456 2.267933 356.9180       8.572267      355.0760       10.47800      358.6891       13.56685      188.3842 2.781019 189.3069 3.583296 -0.9226379     4.535866 
1 1 1 20 7  11 o 212.7664 2.349250 453.1258       9.989170      455.4636       12.27747      450.7879       15.76305      213.3403 2.877438 212.1924 3.714331 1.147964       4.698500 
1 1 1 20 7  12 o 117.9517 2.669704 139.4233       6.385984      130.6385       6.455412      148.2789       11.02351      114.2534 2.825042 121.6500 4.530831 -7.396568      5.339409 
1 1 1 20 7  13 o 307.4747 3.213774 947.9085       19.87207      923.1127       20.64428      971.9959       33.96318      303.6500 3.399356 311.2994 5.455066 -7.649445      6.427548 
1 1 1 20 7  14 f 144.2892 2.261256 208.4265       6.519173      209.6309       7.941744      207.2222       10.34340      144.7272 2.743694 143.8512 3.595172 0.8759918      4.522512 
1 1 1 20 7  15 o 109.4995 2.510065 120.1534       5.514588      114.2733       7.127024      126.0336       8.416408      106.8281 3.335746 112.1709 3.751600 -5.342842      5.020130 
1 1 1 20 7  16 o 66.04097 3.032549 43.75398       3.977957      46.29733       5.050553      41.21064       6.146527      67.98156 3.714650 64.10038 4.794455 3.881180       6.065098 
1 1 1 20 7  17 o 158.8590 2.684561 252.9173       8.480167      261.8438       9.918325      244.0616       13.75105      161.7080 3.066739 156.0099 4.407107 5.698105       5.369123 
1 1 1 20 7  18 o 104.1379 2.773199 108.8890       5.880150      99.75002       5.973666      118.0989       10.13086      99.80019 2.992813 108.4757 4.669646 -8.675499      5.546397 
1 1 1 20 7  19 o 68.81981 3.598696 47.85592       4.760087      54.78458       5.026465      40.92017       8.083434      73.93007 3.399473 63.70954 6.343975 10.22053       7.197391 
1 1 1 20 7  20 f 69.37682 3.472385 48.54311       4.687826      53.92027       5.090226      43.15888       7.870899      73.32917 3.470806 65.42445 6.015258 7.904716       6.944770 
1 1 1 20 7  21 o 169.2998 2.623140 287.5606       8.876901      287.7023       9.415324      287.4189       15.05460      169.4627 2.777994 169.1370 4.450416 0.3256531      5.246280 
1 1 1 20 7  22 o 24.04379 5.985815 4.325806       3.921989      6.719665       4.191909      1.932657       6.630400      25.55844 7.627162 22.52913 9.227475 3.029312       11.97163 
1 1 1 20 7  23 o 126.0927 2.706044 159.6850       6.818140      160.1809       7.304138      159.1891       11.51234      126.4059 2.889159 125.7794 4.576402 0.6265488      5.412088 
1 1 1 20 7  24 f 49.72602 3.853763 24.98709       3.799427      26.49610       4.715455      23.47809       5.958787      51.29779 4.596159 48.15425 6.187188 3.143536       7.707527 
1 1 1 20 7  25 o 100.7835 2.634404 102.0879       5.312680      101.7337       6.799012      102.3713       8.161365      100.6683 3.376937 100.8988 4.044333 -0.2304459     5.268808 
1 1 1 20 7  26 o 32.46925 5.741940 11.14395       3.790217      13.29764       4.876274      8.990252       5.802928      35.51425 7.116301 29.42425 9.013199 6.090004       11.48388 
1 1 1 20 7  27 o 105.2564 2.670506 111.4395       5.622982      111.5103       7.289969      111.3686       8.558097      105.3391 3.460238 105.1736 4.068558 0.1655579      5.341012 
1 1 1 20 7  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 7  29 o 77.68866 3.105907 61.01895       4.840851      58.59605       6.186202      63.43477       7.445828      76.20683 4.058823 79.17049 4.702401 -2.963661      6.211813 
1 1 1 20 7  30 o 131.1007 2.548508 173.3582       6.667948      168.3990       10.06001      178.2465       8.749379      129.1482 3.894755 133.0532 3.287926 -3.904922      5.097017 
1 1 1 20 7  31 o 128.6129 2.584670 167.4780       6.703371      184.4100       10.55593      150.5460       8.267632      135.0416 3.908401 122.1842 3.383265 12.85735       5.169340 
1 1 1 20 7  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 7  33 o 133.1855 2.463943 179.5217       6.565223      180.1593       9.684536      178.9549       8.862731      133.3394 3.631537 133.0315 3.331064 0.3078308      4.927885 
1 1 1 20 7  34 f 126.8306 2.623174 163.5815       6.660863      166.0611       10.25130      161.1019       8.508506      127.6109 4.016622 126.0503 3.375044 1.560661       5.246348 
1 1 1 20 7  35 o 60.71405 3.804332 38.46185       4.592893      36.76156       7.044137      40.16213       5.895736      59.08562 5.960957 62.34248 4.728506 -3.256863      7.608665 
1 1 1 20 7  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 7  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 7  38 o 52.49873 4.621282 31.81657       4.315888      21.08352       6.488001      42.54961       5.692410      41.64982 8.077003 63.34764 4.492993 -21.69782      9.242563 
1 1 1 20 7  39 o 61.76398 3.443879 41.60029       4.249294      41.72781       6.525549      41.46568       5.443744      61.36971 5.316587 62.15825 4.378939 -0.7885361     6.887758 
1 1 1 20 7  40 o 46.54503 4.044871 25.28464       3.778173      27.61545       5.709413      22.94675       4.949244      48.50715 5.885125 44.58291 5.550607 3.924240       8.089743 
1 1 1 20 8  0  o 91.56391 3.823849 84.30576       6.976125      84.30576       6.976125      84.30576       6.976125      91.56391 3.823849 91.56391 3.823849 0.000000       0.000000 
1 1 1 20 8  1  o 667.6543 5.032718 4468.206       67.19666      4442.701       94.50746      4493.710       95.57014      665.7531 7.097786 669.5555 7.136836 -3.802368      10.06544 
1 1 1 20 8  2  o 138.2112 2.302407 191.1403       6.366147      195.2493       9.131943      187.0313       8.869816      139.6967 3.268489 136.7257 3.243654 2.971008       4.604814 
1 1 1 20 8  3  o 86.24545 2.721901 74.45828       4.693493      70.68223       6.559555      78.28393       6.713998      84.04264 3.902516 88.44825 3.795439 -4.405609      5.443802 
1 1 1 20 8  4  o 442.3185 3.533495 1958.869       31.26398      1987.207       44.74582      1930.531       43.66897      445.5155 5.021802 439.1216 4.972310 6.393982       7.066991 
1 1 1 20 8  5  o 142.5543 2.253624 203.3965       6.423533      197.3038       8.997337      209.4184       9.174451      140.4304 3.203486 144.6782 3.170641 -4.247742      4.507248 
1 1 1 20 8  6  o 33.85971 5.642168 12.01534       3.807928      8.869816       5.370065      15.16087       5.399819      29.46342 8.589165 38.25600 7.318638 -8.792580      11.28434 
1 1 1 20 8  7  o 359.5457 3.026222 1294.341       21.76364      1284.423       30.65471      1303.551       30.89558      358.2169 4.278791 360.8743 4.280657 -2.657379      6.052444 
1 1 1 20 8  8  o 231.5286 2.365432 536.3688       10.95267      536.5814       15.47967      536.2272       15.50093      231.5669 3.342375 231.4902 3.348073 0.7669067E-01  4.730863 
1 1 1 20 8  9  o 109.1243 2.420264 119.3033       5.323307      111.5812       6.386693      127.0254       8.515590      105.5987 3.024040 112.6500 3.779667 -7.051353      4.840527 
1 1 1 20 8  10 o 279.2255 2.656424 780.7139       14.88457      761.5857       17.83173      799.8421       23.83232      275.8473 3.232174 282.6036 4.216563 -6.756348      5.312848 
1 1 1 20 8  11 o 288.3632 2.711095 833.1393       15.73471      794.8829       18.37724      871.3957       25.55386      281.7946 3.260751 294.9317 4.332165 -13.13712      5.422190 
1 1 1 20 8  12 f 301.0797 2.769154 908.2352       16.67695      906.1099       20.31840      909.6522       26.45359      300.8451 3.376887 301.3142 4.389702 -0.4691162     5.538307 
1 1 1 20 8  13 o 113.0153 2.358465 127.8755       5.333934      127.5213       6.430617      128.2298       8.508506      112.8768 2.848512 113.1538 3.759709 -0.2770157     4.716931 
1 1 1 20 8  14 o 252.9934 2.524299 641.0780       12.74505      652.2715       15.78431      629.8137       20.01376      255.2557 3.091862 250.7311 3.991081 4.524551       5.048597 
1 1 1 20 8  15 f 50.26862 4.634732 26.24814       4.234416      33.46018       5.214205      19.03610       6.673616      57.77112 4.512813 42.76613 8.096758 15.00499       9.269464 
1 1 1 20 8  16 o 83.74982 2.977643 70.30676       5.014421      68.31601       5.359438      72.33293       8.480167      82.59450 3.244428 84.90515 4.993907 -2.310654      5.955285 
1 1 1 20 8  17 o 100.9734 3.702754 102.4421       7.339560      107.6138       6.074266      97.27043       13.36848      103.6689 2.929648 98.27782 6.801375 5.391060       7.405507 
1 1 1 20 8  18 o 179.3498 2.625120 322.4872       9.408240      322.7706       10.08127      322.2039       15.89766      179.5267 2.807735 179.1730 4.436400 0.3537292      5.250240 
1 1 1 20 8  19 o 67.38685 3.499568 45.87934       4.551803      52.50336       5.049844      39.26240       7.573349      72.36343 3.489224 62.41027 6.067391 9.953159       6.999137 
1 1 1 20 8  20 o 78.62546 3.289833 62.15247       5.137692      64.25658       5.824182      60.04129       8.465999      80.03611 3.638471 77.21480 5.482109 2.821312       6.579665 
1 1 1 20 8  21 o 148.5197 2.376554 221.2495       7.041303      227.6964       9.209873      214.8026       10.65512      150.7203 3.055285 146.3191 3.641053 4.401199       4.753109 
1 1 1 20 8  22 o 138.8950 2.409136 193.6199       6.706913      188.1648       8.664365      199.0750       10.23713      136.9708 3.162851 140.8192 3.634847 -3.848419      4.818272 
1 1 1 20 8  23 o 39.78202 4.977928 16.47150       3.892234      13.22680       5.010880      19.71621       5.956663      35.45556 7.316125 44.10848 6.752287 -8.652924      9.955856 
1 1 1 20 8  24 o 67.48729 3.239837 45.96435       4.332182      49.80416       5.630774      42.12454       6.585768      70.37080 4.000789 64.60378 5.097044 5.767014       6.479674 
1 1 1 20 8  25 o 176.6887 2.438941 313.4899       8.628942      309.5226       11.08019      317.4572       13.22680      175.6299 3.154413 177.7474 3.720672 -2.117447      4.877881 
1 1 1 20 8  26 o 86.27766 2.881344 75.09589       4.920906      82.39294       6.478083      67.79884       7.410406      90.54332 3.577339 82.01202 4.517878 8.531303       5.762689 
1 1 1 20 8  27 o 72.73299 3.693215 53.89901       5.479875      45.53928       6.167781      62.25874       9.061099      67.15945 4.591894 78.30652 5.785660 -11.14707      7.386430 
1 1 1 20 8  28 o 126.3846 2.548459 160.9602       6.467456      155.4343       7.849646      166.4862       10.27963      124.3221 3.156979 128.4471 4.001507 -4.124954      5.096918 
1 1 1 20 8  29 o 78.99706 3.009700 63.04512       4.758671      62.59880       5.844018      63.48437       7.509589      78.81567 3.707397 79.17844 4.742193 -0.3627701     6.019401 
1 1 1 20 8  30 o 41.19415 5.035522 17.83173       4.007712      18.83773       4.915947      16.83282       6.330016      42.93508 5.724861 39.45322 8.285644 3.481857       10.07104 
1 1 1 20 8  31 o 169.5887 2.680782 290.8195       9.096521      293.5116       13.09927      288.1273       12.61753      170.3470 3.844880 168.8304 3.736746 1.516525       5.361564 
1 1 1 20 8  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 8  33 f 54.68243 4.151906 31.13646       4.487334      27.67213       6.680700      34.60078       5.992794      51.40318 6.498333 57.96167 5.169618 -6.558491      8.303811 
1 1 1 20 8  34 o 109.2427 2.700382 121.9245       5.931867      130.8510       9.174451      112.9981       7.516674      113.1090 4.055579 105.3763 3.566586 7.732719       5.400764 
1 1 1 20 8  35 o 54.82806 3.899576 31.46235       4.312346      34.23239       6.869856      28.68521       5.214913      57.02660 6.023379 52.62952 4.954361 4.397079       7.799153 
1 1 1 20 8  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 8  37 o 35.00489 5.892861 14.65787       4.356270      11.77447       7.311223      17.54127       4.739542      29.94715 10.19382 40.06263 5.915166 -10.11548      11.78572 
1 1 1 20 8  38 o 25.93216 6.238748 8.876901       3.982208      12.30581       6.727458      5.448702       4.262046      30.10622 9.778379 21.75809 7.750560 8.348129       12.47750 
1 1 1 20 8  39 o 41.56611 4.901165 21.30314       4.152236      27.81382       7.044845      14.79247       4.397360      47.82333 7.365490 35.30890 6.468014 12.51443       9.802329 
1 1 1 20 9  0  o 247.5117 3.496426 613.1650       17.30039      613.1650       17.30039      613.1650       17.30039      247.5117 3.496426 247.5117 3.496426 0.000000       0.000000 
1 1 1 20 9  1  f 180.2364 2.295066 325.1085       8.274716      336.1604       11.90907      314.0567       11.49109      183.3007 3.248507 177.1721 3.242917 6.128647       4.590132 
1 1 1 20 9  2  o 166.6554 2.249686 278.0673       7.502505      291.2445       10.91016      264.8193       10.30089      170.6172 3.197263 162.6937 3.165731 7.923477       4.499372 
1 1 1 20 9  3  o 286.3270 2.642748 820.3871       15.13253      822.5125       21.52985      818.2618       21.27481      286.6970 3.754809 285.9570 3.719931 0.7399902      5.285497 
1 1 1 20 9  4  f 311.4218 2.763549 970.5789       17.21538      976.9550       24.49118      964.2029       24.19363      312.4441 3.919290 310.3995 3.897176 2.044556       5.527098 
1 1 1 20 9  5  o 148.0361 2.268149 219.2658       6.716123      220.8244       9.627860      217.7072       9.365732      148.5614 3.240364 147.5107 3.174594 1.050690       4.536298 
1 1 1 20 9  6  o 179.1004 2.261531 320.9286       8.097604      316.8196       11.44858      325.1085       11.46275      177.9434 3.216916 180.2573 3.179552 -2.313919      4.523063 
1 1 1 20 9  7  o 110.0934 2.766684 121.3578       6.091977      120.2951       8.636027      122.3496       8.593520      109.6266 3.938836 110.5602 3.886352 -0.9335861     5.533369 
1 1 1 20 9  8  o 351.4040 2.981037 1236.957       20.95601      1207.910       29.03235      1265.295       30.22964      347.3306 4.179355 355.4774 4.251978 -8.146790      5.962074 
1 1 1 20 9  9  o 305.5558 2.726859 935.1564       16.67695      969.8705       24.28573      900.4422       22.85465      311.2244 3.901642 299.8871 3.810543 11.33728       5.453719 
1 1 1 20 9  10 o 166.1894 2.223850 276.5796       7.396237      288.6233       10.67637      264.5359       10.23004      169.8095 3.143631 162.5692 3.146366 7.240295       4.447700 
1 1 1 20 9  11 o 299.0236 2.687129 895.4830       16.07477      908.2352       22.93967      882.7309       22.51460      301.1518 3.808655 296.8953 3.791673 4.256531       5.374257 
1 1 1 20 9  12 o 186.0208 2.398422 346.5038       8.912323      354.7218       11.80989      338.2857       13.34015      188.2433 3.136869 183.7983 3.629018 4.444977       4.796844 
1 1 1 20 9  13 o 33.41780 5.716858 11.61152       3.840517      13.73688       4.892568      9.486169       5.921240      36.36613 6.975652 30.46948 9.059257 5.896650       11.43372 
1 1 1 20 9  14 o 121.0211 2.439794 146.7204       5.909196      144.3116       7.807138      149.0583       8.876901      120.0519 3.251568 121.9904 3.638362 -1.938446      4.879587 
1 1 1 20 9  15 o 206.4906 2.679093 427.1964       11.05893      424.8586       15.73471      429.5343       15.55760      205.9223 3.820547 207.0589 3.756805 -1.136642      5.358187 
1 1 1 20 9  16 o 144.6063 2.565781 209.7726       7.424574      224.5792       10.91016      194.9659       10.08127      149.7150 3.643642 139.4976 3.613420 10.21736       5.131562 
1 1 1 20 9  17 o 263.7051 2.939643 697.6833       15.50801      683.7976       21.62903      711.2856       22.22413      261.1098 4.141751 266.3004 4.172757 -5.190552      5.879286 
1 1 1 20 9  18 o 179.0945 2.748456 321.7079       9.840395      320.9286       15.95433      322.5581       11.51943      178.7797 4.462010 179.4093 3.210377 -0.6295776     5.496913 
1 1 1 20 9  19 f 106.6516 2.378719 114.0607       5.069681      117.0362       7.049096      111.0852       7.289969      108.0512 3.261923 105.2520 3.463103 2.799225       4.757439 
1 1 1 20 9  20 o 46.13501 3.867073 21.56527       3.513212      24.93750       4.776382      18.19304       5.153986      49.80180 4.795391 42.46822 6.068051 7.333584       7.734147 
1 1 1 20 9  21 o 188.0909 2.256767 354.9343       8.494337      339.9860       11.60444      369.8827       12.41208      184.1349 3.151070 192.0468 3.231524 -7.911819      4.513534 
1 1 1 20 9  22 o 21.27330 5.593464 2.860020       3.389941      5.897861       4.631858      -0.1773255     4.952078      24.57823 8.113706 17.96837 7.701633 6.609861       11.18693 
1 1 1 20 9  23 o 232.5709 2.607511 543.1700       12.12161      547.7750       15.98976      538.6359       18.22138      233.6176 3.422208 231.5242 3.935092 2.093399       5.215023 
1 1 1 20 9  24 o 83.51914 2.813811 70.42719       4.772840      61.50778       5.505378      79.34660       7.800055      78.25881 3.517418 88.77947 4.392938 -10.52066      5.627622 
1 1 1 20 9  25 o 26.12419 5.565053 6.766423       3.472831      1.794508       4.468914      11.73905       5.317639      19.04908 7.660007 33.19930 8.074871 -14.15021      11.13011 
1 1 1 20 9  26 o 73.19888 3.147054 53.99820       4.607062      53.58021       6.473832      54.42327       6.557429      72.91463 4.439323 73.48314 4.461860 -0.5685043     6.294107 
1 1 1 20 9  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 9  28 o 33.69117 5.999370 12.36957       4.145151      16.64153       6.165656      8.097604       5.541510      39.42639 8.097298 27.95596 8.854576 11.47043       11.99874 
1 1 1 20 9  29 o 115.9638 2.596510 135.5268       6.021840      136.2353       8.912323      134.8892       8.104689      116.2097 3.834587 115.7180 3.501915 0.4917297      5.193021 
1 1 1 20 9  30 o 136.6184 2.526477 188.5899       6.868440      173.9958       10.03168      203.1840       9.386987      131.2370 3.821969 141.9997 3.305283 -10.76271      5.052954 
1 1 1 20 9  31 o 38.81589 5.534500 16.28022       4.192617      12.58210       6.165656      19.97834       5.683908      33.71583 8.980223 43.91595 6.471350 -10.20012      11.06900 
1 1 1 20 9  32 o 68.44816 3.392463 47.95510       4.665155      51.36275       7.162447      44.54745       5.977916      70.80044 5.058194 66.09588 4.522155 4.704559       6.784925 
1 1 1 20 9  33 f 126.3841 2.694324 162.4480       6.755087      156.2845       11.03768      168.6115       7.792970      123.5960 4.465224 129.1722 3.016505 -5.576164      5.388648 
1 1 1 20 9  34 o 20.41044 6.008449 2.067262       4.157903      1.720121       6.898195      2.414403       4.643193      21.49838 9.148092 19.32250 7.792191 2.175880       12.01690 
1 1 1 20 9  35 o 33.22829 6.690795 13.92108       4.755837      16.52110       7.885069      11.32814       5.320473      35.74508 10.40391 30.71149 8.415800 5.033596       13.38159 
1 1 1 20 9  36 o 30.09788 5.968175 9.812057       4.447660      4.318722       7.396237      15.30964       4.942868      23.41256 9.688640 36.78320 6.971852 -13.37064      11.93635 
1 1 1 20 9  37 o 22.63153 6.193507 5.447994       4.070764      6.962664       6.799012      3.933325       4.478832      24.98013 9.617493 20.28293 7.806531 4.697195       12.38701 
1 1 1 20 9  38 o 114.3631 3.328470 140.4860       7.644195      147.8539       13.58811      133.1889       6.993836      115.0975 5.902867 113.6286 3.077498 1.468887       6.656939 
1 1 1 20 9  39 f 20.99693 5.830899 2.361269       4.757962      -2.415821      8.529759      7.141194       4.216705      18.48370 8.721574 23.51015 7.741557 -5.026447      11.66180 
1 1 1 20 10 0  o 489.5015 5.436811 2398.818       53.21181      2398.818       53.21181      2398.818       53.21181      489.5015 5.436811 489.5015 5.436811 0.000000       0.000000 
1 1 1 20 10 1  o 294.9597 2.694012 870.6873       15.89057      861.4774       22.29498      879.8971       22.65629      293.4003 3.799413 296.5192 3.820375 -3.118896      5.388024 
1 1 1 20 10 2  o 490.4005 3.850538 2408.736       37.76756      2435.657       54.00528      2381.815       52.81508      493.1368 5.475689 487.6641 5.415108 5.472656       7.701076 
1 1 1 20 10 3  o 312.0212 2.779008 974.8296       17.34290      993.2495       24.93042      955.7015       24.12278      315.0254 3.956891 309.0171 3.903147 6.008331       5.558016 
1 1 1 20 10 4  o 94.35011 2.595450 89.05238       4.897527      88.83985       6.945662      89.33577       6.906697      94.21851 3.685933 94.48171 3.655044 -0.2632065     5.190901 
1 1 1 20 10 5  o 221.5235 2.363693 491.0988       10.47092      482.8807       14.66495      499.3168       14.95542      219.6701 3.337950 223.3769 3.347575 -3.706802      4.727385 
1 1 1 20 10 6  o 372.5850 3.114987 1389.982       23.22305      1429.656       33.62312      1351.018       32.03619      377.8494 4.449275 367.3205 4.360795 10.52887       6.229975 
1 1 1 20 10 7  o 49.10380 4.106307 24.31407       4.008420      20.61595       5.567723      28.01927       5.766797      45.33686 6.140393 52.87074 5.453677 -7.533875      8.212613 
1 1 1 20 10 8  o 122.4048 2.317437 149.9792       5.671865      148.2081       7.984251      151.7504       8.062181      121.6819 3.280789 123.1277 3.273911 -1.445801      4.634875 
1 1 1 20 10 9  o 54.53065 3.900622 29.83290       4.262046      28.75606       5.618022      30.90975       6.410780      53.55379 5.245214 55.50750 5.774698 -1.953701      7.801244 
1 1 1 20 10 10 o 184.0092 2.415514 338.9942       8.891070      336.6563       11.66820      341.3321       13.42516      183.3890 3.181271 184.6295 3.635704 -1.240509      4.831028 
1 1 1 20 10 11 o 339.0953 3.145960 1152.651       21.31731      1166.820       28.25306      1137.774       31.92992      341.2798 4.139281 336.9109 4.738630 4.368866       6.291921 
1 1 1 20 10 12 o 217.7349 2.981918 475.0169       12.97175      481.0388       16.77614      469.0659       19.78706      219.1452 3.827631 216.3246 4.573464 2.820587       5.963835 
1 1 1 20 10 13 o 148.1305 2.539966 219.9034       7.523758      210.6227       10.45675      229.1133       10.82514      145.0139 3.605431 151.2471 3.578628 -6.233246      5.079932 
1 1 1 20 10 14 o 64.63559 3.507016 41.98285       4.523465      45.35508       6.422115      38.60354       6.373232      67.24619 4.775078 62.02499 5.137633 5.221203       7.014032 
1 1 1 20 10 15 o 125.4238 2.650440 157.7722       6.655904      167.4072       9.776634      148.1373       9.032760      129.2549 3.781921 121.5927 3.714351 7.662140       5.300880 
1 1 1 20 10 16 o 63.85716 4.090826 41.17522       5.285050      35.85475       6.383859      46.49569       8.423491      59.73957 5.343074 67.97475 6.196044 -8.235172      8.181651 
1 1 1 20 10 17 o 172.6294 2.460326 299.0375       8.536844      318.5908       13.21971      279.4842       10.80389      178.2517 3.708159 167.0071 3.234560 11.24457       4.920652 
1 1 1 20 10 18 o 129.0281 2.822224 167.1238       7.304138      170.0284       11.98701      164.1483       8.345562      130.0874 4.607288 127.9687 3.260782 2.118683       5.644449 
1 1 1 20 10 19 o 113.0244 2.545708 128.1589       5.746961      124.5458       8.458915      131.7720       7.778800      111.4116 3.796244 114.6371 3.392794 -3.225449      5.091416 
1 1 1 20 10 20 o 145.7689 2.458025 213.1731       7.183701      205.5927       9.351563      220.8244       10.90307      143.1909 3.265419 148.3469 3.674858 -5.156006      4.916050 
1 1 1 20 10 21 o 112.4097 2.397618 126.9546       5.388484      117.8155       7.431659      136.0936       7.807138      108.3540 3.429341 116.4653 3.351702 -8.111252      4.795235 
1 1 1 20 10 22 o 94.29382 2.567404 89.40662       4.842976      96.70367       7.073891      82.10956       6.616231      98.15094 3.603578 90.43671 3.657934 7.714226       5.134809 
1 1 1 20 10 23 o 56.55094 3.563060 32.26998       4.029674      32.56044       5.729249      31.97952       5.669031      56.80506 5.042905 56.29683 5.034948 0.5082321      7.126120 
1 1 1 20 10 24 o 233.0905 2.476259 545.6496       11.54776      556.9139       16.62028      534.3852       16.03226      235.4892 3.528884 230.6918 3.474824 4.797394       4.952518 
1 1 1 20 10 25 o 180.8701 2.492497 328.7924       9.004422      320.5744       13.24805      337.0105       12.19954      178.5620 3.709650 183.1783 3.329963 -4.616364      4.984993 
1 1 1 20 10 26 o 234.3282 2.701442 552.5924       12.66712      557.1265       18.99359      548.0583       16.76197      235.2031 4.037700 233.4532 3.590006 1.749863       5.402885 
1 1 1 20 10 27 o 186.6954 4.826850 353.2340       18.02301      353.2340       18.02301      ?              ?             186.6954 4.826850 ?        ?        ?              ?        
1 1 1 20 10 28 o 95.90087 2.845597 92.87803       5.473498      98.61649       8.239295      87.13957       7.204955      98.83559 4.168182 92.96616 3.875042 5.869431       5.691194 
1 1 1 20 10 29 o 102.9150 2.686759 107.1179       5.542927      116.7529       8.281801      97.48296       7.367898      107.5401 3.850566 98.28989 3.748045 9.250175       5.373518 
1 1 1 20 10 30 o 98.01909 2.701580 97.48296       5.293552      109.4558       7.821308      85.51013       7.141194      104.0784 3.757411 91.95974 3.882783 12.11869       5.403160 
1 1 1 20 10 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 10 32 o 43.59712 4.607368 19.81540       4.017630      20.24047       5.744127      19.39741       5.618731      44.06007 6.518518 43.13418 6.513084 0.9258881      9.214735 
1 1 1 20 10 33 o 111.2689 2.744703 126.1753       6.074266      119.1616       9.160281      133.1181       7.984251      107.9966 4.241006 114.5412 3.485320 -6.544586      5.489407 
1 1 1 20 10 34 o 85.69342 4.139395 77.50462       6.664406      65.46803       11.73905      89.47746       6.313014      77.60030 7.563789 93.78654 3.365629 -16.18623      8.278790 
1 1 1 20 10 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 10 36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 10 37 o 37.09076 6.272011 16.95325       5.087392      14.79956       9.139028      19.10695       4.477415      32.12204 11.35875 42.05948 5.322719 -9.937443      12.54402 
1 1 1 20 10 38 o 31.65589 6.742358 14.33906       5.109354      17.25080       9.280719      11.43441       4.276215      32.68132 11.45739 30.63046 7.110962 2.050861       13.48472 
1 1 1 20 10 39 o 30.54627 5.891751 12.27038       4.727499      8.253463       8.295970      16.28731       4.543301      23.83833 10.08310 37.25421 6.097702 -13.41588      11.78350 
1 1 1 20 11 0  o 152.2436 3.739366 232.3013       11.37065      232.3013       11.37065      232.3013       11.37065      152.2436 3.739366 152.2436 3.739366 0.000000       0.000000 
1 1 1 20 11 1  f 198.7042 2.329966 395.1744       9.259464      384.6184       12.83715      405.7303       13.35432      196.0506 3.273937 201.3577 3.316069 -5.307022      4.659933 
1 1 1 20 11 2  o 288.8757 2.658863 835.2646       15.35923      839.5154       21.82031      831.0139       21.62903      289.6102 3.767187 288.1411 3.753201 1.469116       5.317727 
1 1 1 20 11 3  o 174.1814 2.274983 303.7841       7.927575      318.4491       11.46984      289.1192       10.94558      178.3882 3.214854 169.9746 3.219769 8.413559       4.549967 
1 1 1 20 11 4  o 100.2975 2.546386 100.9544       5.098727      111.9354       7.396237      90.04422       7.022882      105.7516 3.496985 94.84348 3.702354 10.90814       5.092772 
1 1 1 20 11 5  o 100.1756 2.523149 100.5293       5.060471      93.94070       6.882609      107.1888       7.417490      96.87328 3.552377 103.4779 3.584094 -6.604637      5.046297 
1 1 1 20 11 6  o 226.2804 2.570253 512.7774       11.66112      495.4911       14.93416      530.0636       17.91675      222.4848 3.356220 230.0760 3.893659 -7.591141      5.140505 
1 1 1 20 11 7  o 169.5625 2.927754 288.6233       9.847479      315.1193       13.09927      262.0563       14.70037      177.4016 3.691984 161.7234 4.544912 15.67812       5.855508 
1 1 1 20 11 8  o 309.6332 3.194510 960.6606       19.78706      967.0367       28.23889      954.2846       27.71463      310.6570 4.545027 308.6094 4.490245 2.047607       6.389019 
1 1 1 20 11 9  o 82.77134 3.177485 68.64898       5.260254      68.23100       7.445828      69.07405       7.431659      82.51654 4.511719 83.02614 4.475494 -0.5095978     6.354970 
1 1 1 20 11 10 o 248.9604 3.146328 621.2413       15.70638      638.1025       24.56911      604.3802       19.58161      252.2876 4.869266 245.6331 3.985947 6.654526       6.292656 
1 1 1 20 11 11 o 223.6040 2.739928 500.8754       12.25622      509.0226       17.48459      492.7282       17.17287      225.4224 3.878184 221.7857 3.871501 3.636719       5.479857 
1 1 1 20 11 12 o 173.4880 2.584345 301.9422       8.983169      325.7461       13.28347      278.1382       12.08619      180.3351 3.682997 166.6410 3.626415 13.69409       5.168690 
1 1 1 20 11 13 o 52.83096 3.848432 28.01927       4.067930      28.23180       6.060097      27.80673       5.428158      53.02091 5.714818 52.64100 5.155828 0.3799095      7.696863 
1 1 1 20 11 14 o 51.00373 4.670547 26.17729       4.739542      25.46884       7.736294      26.88575       5.478457      50.25782 7.696607 51.74965 5.293232 -1.491825      9.341095 
1 1 1 20 11 15 o 142.6663 2.447195 203.8924       6.986042      205.3093       10.64803      202.5464       9.046929      143.1285 3.719746 142.2042 3.180965 0.9242859      4.894390 
1 1 1 20 11 16 o 161.0100 2.522656 259.9310       8.147196      251.8546       10.27255      268.0073       12.64586      158.5419 3.239696 163.4780 3.867756 -4.936127      5.045311 
1 1 1 20 11 17 o 85.44392 2.717404 73.39561       4.645319      67.44460       6.337809      79.27575       6.793344      81.99176 3.864907 88.89609 3.820947 -6.904327      5.434808 
1 1 1 20 11 18 o 157.5220 2.305723 248.7374       7.261631      253.6966       10.34340      243.8491       10.20170      159.0821 3.250961 155.9618 3.270579 3.120346       4.611446 
1 1 1 20 11 19 o 94.74001 2.560611 90.25676       4.850060      98.26226       7.057597      82.18040       6.654488      98.97484 3.565349 90.50517 3.676303 8.469673       5.121222 
1 1 1 20 11 20 o 96.28022 3.062638 93.23225       5.903528      98.40395       8.650196      88.13139       8.033843      98.92847 4.371945 93.63197 4.290117 5.296494       6.125276 
1 1 1 20 11 21 o 58.30167 3.534864 34.50160       4.084933      40.53761       5.869523      28.47268       5.683200      63.46832 4.623979 53.13502 5.347886 10.33330       7.069729 
1 1 1 20 11 22 o 277.2559 2.823875 772.9209       15.62845      744.5828       22.88299      801.2590       21.29606      272.0944 4.204973 282.4174 3.770316 -10.32303      5.647750 
1 1 1 20 11 23 o 110.7041 2.587237 123.3415       5.757588      133.7557       8.820225      112.9272       7.396237      115.3629 3.822818 106.0454 3.487298 9.317482       5.174474 
1 1 1 20 11 24 o 47.53951 4.551837 22.96092       4.324390      22.69171       6.434159      23.23013       5.779550      47.21591 6.813550 47.86311 6.037583 -0.6471939     9.103674 
1 1 1 20 11 25 o 146.3665 2.538536 215.3693       7.424574      212.1105       10.98809      218.5574       9.989170      145.2300 3.782995 147.5030 3.386090 -2.273056      5.077072 
1 1 1 20 11 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 11 27 o 46.57645 4.747923 22.23122       4.422156      21.89824       6.257754      22.56419       6.250670      46.21835 6.769773 46.93454 6.658923 -0.7161980     9.495846 
1 1 1 20 11 28 o 25.48583 6.185802 6.215956       3.856103      4.475290       5.421782      7.955913       5.484125      23.27168 8.683415 27.69999 8.812200 -4.428312      12.37160 
1 1 1 20 11 29 o 111.2413 2.738956 125.3251       6.133776      138.2189       9.514507      112.5022       7.743378      116.9027 4.069414 105.5799 3.667070 11.32278       5.477913 
1 1 1 20 11 30 o 92.85258 2.966624 87.49380       5.486959      83.10139       8.246379      91.88619       7.233293      90.40186 4.560956 95.30331 3.794881 -4.901443      5.933249 
1 1 1 20 11 31 o 34.66332 6.425205 13.40391       4.568805      11.95867       6.986751      14.84915       5.887943      32.66897 9.866626 36.65768 8.233028 -3.988708      12.85041 
1 1 1 20 11 32 o 32.08731 6.226414 11.46275       4.208911      9.677451       6.475958      13.24805       5.377149      29.61821 9.591513 34.55642 7.942029 -4.938210      12.45283 
1 1 1 20 11 33 f 43.87645 5.015639 21.11895       4.322973      25.80181       6.677866      16.43608       5.492627      49.20350 6.785967 38.54941 7.387639 10.65409       10.03128 
1 1 1 20 11 34 o 27.32280 6.584980 8.062181       4.393818      7.183701       6.847895      8.940661       5.507504      26.51521 9.785563 28.13038 8.814226 -1.615162      13.16996 
1 1 1 20 11 35 o 42.73598 13.21858 35.82641       12.44041      35.82641       12.44041      ?              ?             42.73598 13.21858 ?        ?        ?              ?        
1 1 1 20 11 36 o 54.11082 4.380243 32.29123       4.751586      33.92067       8.040927      30.66888       5.064722      54.41029 7.389162 53.81136 4.705997 0.5989227      8.760486 
1 1 1 20 11 37 o 19.85975 5.634664 1.932657       3.987167      -1.600392      6.789093      5.465705       4.181991      17.95283 8.242422 21.76668 7.685066 -3.813847      11.26933 
1 1 1 20 11 38 o 24.60702 6.054888 7.771716       3.919864      7.240376       6.620482      8.303054       4.198285      23.69897 9.398214 25.51507 7.636768 -1.816103      12.10978 
1 1 1 20 12 0  o 325.1466 4.051928 1058.427       26.34024      1058.427       26.34024      1058.427       26.34024      325.1466 4.051928 325.1466 4.051928 0.000000       0.000000 
1 1 1 20 12 1  o 378.7117 3.166663 1436.740       23.98818      1416.904       33.53811      1456.577       34.30323      376.1000 4.458669 381.3234 4.497920 -5.223358      6.333325 
1 1 1 20 12 2  o 227.7736 2.419213 519.3660       11.01642      527.1589       15.77722      511.5730       15.39466      229.4814 3.437582 226.0658 3.404907 3.415665       4.838426 
1 1 1 20 12 3  o 233.9328 2.809025 547.9875       13.14178      548.4125       18.62520      547.6332       18.54727      234.0154 3.979481 233.8502 3.965630 0.1651611      5.618051 
1 1 1 20 12 4  o 267.2724 2.976382 715.5363       15.91183      721.2039       22.70588      709.8687       22.29498      268.3286 4.230984 266.2161 4.187383 2.112488       5.952764 
1 1 1 20 12 5  o 208.9502 2.704332 437.2564       11.29981      440.3736       16.06060      434.0684       15.90474      209.7031 3.829366 208.1972 3.819634 1.505905       5.408664 
1 1 1 20 12 6  o 85.47499 3.208394 73.32476       5.477749      67.38085       7.615856      79.27575       7.877984      81.99885 4.643880 88.95113 4.428265 -6.952286      6.416787 
1 1 1 20 12 7  o 188.2866 2.979819 355.7845       11.33523      326.0295       13.42516      385.5395       18.26389      180.4366 3.720188 196.1367 4.655909 -15.70004      5.959638 
1 1 1 20 12 8  o 98.37527 2.931000 96.98705       5.766797      97.34127       8.324308      96.56198       7.984251      98.56962 4.222553 98.18092 4.066091 0.3886948      5.862000 
1 1 1 20 12 9  o 127.5748 2.635805 163.0148       6.726042      165.9194       9.599521      160.1101       9.422408      128.7114 3.729089 126.4382 3.726094 2.273193       5.271610 
1 1 1 20 12 10 o 98.79243 2.711550 97.83719       5.341018      94.08241       8.040927      101.5211       7.032093      96.89878 4.149138 100.6861 3.492088 -3.787292      5.423101 
1 1 1 20 12 11 o 193.7296 2.482853 375.9754       9.599521      364.2859       14.26113      387.6649       12.85840      190.6974 3.739205 196.7618 3.267504 -6.064377      4.965706 
1 1 1 20 12 12 o 131.6897 2.494466 173.8541       6.541135      184.0558       8.721042      163.6524       9.748297      135.5749 3.216318 127.8044 3.813756 7.770485       4.988931 
1 1 1 20 12 13 o 272.4994 2.817525 743.8744       15.35215      741.7490       23.25847      746.7082       20.04210      271.9993 4.275466 272.9996 3.670721 -1.000305      5.635051 
1 1 1 20 12 14 o 295.1124 2.848810 873.5211       16.81865      875.6464       26.67321      870.6873       20.49551      295.4343 4.514237 294.7906 3.476283 0.6436768      5.697621 
1 1 1 20 12 15 o 81.97665 2.970073 67.66422       4.775673      59.58788       7.495420      75.73349       5.924074      77.02272 4.865720 86.93059 3.407359 -9.907867      5.940145 
1 1 1 20 12 16 o 70.33490 3.257975 49.70498       4.561721      48.21723       7.254546      51.19273       5.535134      69.23543 5.239042 71.43437 3.874279 -2.198944      6.515950 
1 1 1 20 12 17 f 184.7136 2.437429 342.1822       9.039845      352.7381       14.50909      331.6971       10.78972      187.4874 3.869352 181.9398 2.965190 5.547607       4.874858 
1 1 1 20 12 18 o 65.36053 3.394260 42.98885       4.400903      40.48802       6.904571      45.48969       5.458621      63.40670 5.444670 67.31436 4.054574 -3.907665      6.788520 
1 1 1 20 12 19 f 151.9638 3.305483 232.3013       10.08127      236.1270       18.10094      228.5466       8.898154      152.9301 5.918046 150.9975 2.946457 1.932526       6.610966 
1 1 1 20 12 20 o 104.3220 2.918462 109.3850       6.082059      108.9599       10.17337      109.8100       6.667948      104.0125 4.890456 104.6315 3.186396 -0.6190567     5.836924 
1 1 1 20 12 21 o 159.8778 2.769691 257.0263       8.777717      242.1488       13.97775      271.8329       10.61261      155.1389 4.504916 164.6167 3.223429 -9.477844      5.539383 
1 1 1 20 12 22 o 134.2221 2.758374 181.1511       7.424574      183.7724       12.43333      178.5298       8.111773      135.0502 4.603225 133.3940 3.040532 1.656219       5.516749 
1 1 1 20 12 23 o 53.19740 4.412532 28.69230       4.677907      28.26723       7.622942      29.11028       5.428866      52.68243 7.234804 53.71236 5.053647 -1.029926      8.825064 
1 1 1 20 12 24 o 131.9341 2.694650 175.0584       7.112856      174.5625       10.88890      175.5544       9.139028      131.6810 4.134578 132.1872 3.456851 -0.5062561     5.389300 
1 1 1 20 12 25 o 69.06208 4.031796 48.47227       5.511755      44.24281       8.402238      52.70173       7.134109      65.92043 6.373016 72.20374 4.940264 -6.283310      8.063593 
1 1 1 20 12 26 o 138.0890 3.132689 192.8406       8.650196      193.8324       12.41208      191.8487       12.05785      138.4256 4.483303 137.7525 4.376637 0.6731110      6.265378 
1 1 1 20 12 27 o 128.4864 2.742255 166.4862       7.042719      165.9194       10.77555      166.9821       9.075267      128.1894 4.202980 128.7833 3.523465 -0.5938568     5.484509 
1 1 1 20 12 28 o 36.33403 6.084174 14.40283       4.377523      16.25897       6.653071      12.54668       5.690993      38.66264 8.799142 34.00541 8.404986 4.657234       12.16835 
1 1 1 20 12 29 o 64.51593 3.779886 42.82591       4.777090      35.05420       7.020757      50.60471       6.480209      58.43823 6.006990 70.59364 4.589797 -12.15540      7.559772 
1 1 1 20 12 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 12 31 o 53.24941 4.303690 30.08086       4.570222      39.29782       7.134109      20.86390       5.713664      61.69627 5.781638 44.80255 6.376494 16.89372       8.607381 
1 1 1 20 12 32 o 100.4209 2.654087 102.6547       5.329682      94.72000       7.332476      110.5893       7.736294      96.51447 3.798640 104.3274 3.707699 -7.812950      5.308173 
1 1 1 20 12 33 o 39.33079 5.300098 17.37124       4.040300      22.33748       5.797261      12.41208       5.629357      45.85012 6.321969 32.81145 8.508635 13.03867       10.60020 
1 1 1 20 12 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 12 35 o 19.28368 5.802428 1.564262       3.925531      1.838432       5.689576      1.290091       5.409738      19.69275 8.340967 18.87462 8.068515 0.8181286      11.60486 
1 1 1 20 12 36 o 25.45332 6.347403 7.892153       4.307387      13.58102       7.148279      2.201868       4.803303      32.19818 10.03231 18.70846 7.778872 13.48972       12.69481 
1 1 1 20 12 37 o 19.24440 5.490391 1.125730       3.934741      -3.312721      6.673616      5.563472       4.171364      16.74330 7.852633 21.74550 7.675529 -5.002199      10.98078 
1 1 1 20 12 38 o 50.76703 4.302092 29.92500       4.410112      32.93592       7.481250      26.91408       4.670114      51.94246 7.201479 49.59159 4.708575 2.350868       8.604183 
1 1 1 20 13 0  o 46.21454 10.69035 24.57619       8.586436      24.57619       8.586436      24.57619       8.586436      46.21454 10.69035 46.21454 10.69035 0.000000       0.000000 
1 1 1 20 13 1  o 260.6346 3.325626 680.7513       17.34998      674.7295       21.91950      686.8440       26.89991      259.5295 4.222929 261.7396 5.138679 -2.210083      6.651252 
1 1 1 20 13 2  o 26.42668 6.887756 5.552845       4.918780      2.360561       5.925491      8.742295       7.849646      22.08127 8.844847 30.77209 10.56094 -8.690815      13.77551 
1 1 1 20 13 3  f 168.1049 2.997772 283.0974       10.07418      283.8058       12.80881      282.3889       15.55760      168.3444 3.804346 167.8654 4.633951 0.4790039      5.995544 
1 1 1 20 13 4  o 188.7736 2.674053 356.9180       10.09544      367.9698       14.60119      345.9370       13.95650      191.6853 3.808636 185.8618 3.754536 5.823486       5.348107 
1 1 1 20 13 5  o 215.7087 2.739107 466.1613       11.81698      480.1178       17.00993      452.1340       16.41483      218.9460 3.884502 212.4714 3.862832 6.474640       5.478214 
1 1 1 20 13 6  o 218.9737 2.585203 480.1886       11.31397      474.5210       16.95325      485.8563       14.98375      217.6606 3.894424 220.2868 3.400965 -2.626236      5.170406 
1 1 1 20 13 7  o 118.9659 2.534078 141.9737       5.992794      130.9927       8.876901      152.8839       8.055097      114.3576 3.881203 123.5742 3.259214 -9.216644      5.068157 
1 1 1 20 13 8  o 42.95213 4.955316 19.50368       3.846185      12.35540       6.048761      26.65196       4.753003      34.34166 8.773714 51.56259 4.608964 -17.22093      9.910631 
1 1 1 20 13 9  o 123.5536 2.489062 152.9547       6.109688      144.8784       9.535762      161.1019       7.637110      120.2510 3.964941 126.8563 3.010142 -6.605339      4.978123 
1 1 1 20 13 10 o 229.4039 2.526469 527.1589       11.56193      517.5948       18.21429      536.7231       14.25405      227.2747 4.007111 231.5331 3.078189 -4.258392      5.052938 
1 1 1 20 13 11 o 140.2590 2.677756 197.0913       7.516674      201.2003       10.92433      193.0531       10.32214      141.7036 3.854641 138.8145 3.717962 2.889008       5.355511 
1 1 1 20 13 12 o 75.56059 3.082460 57.27124       4.634692      55.26632       7.360813      59.26908       5.632900      74.20936 4.959492 76.91181 3.661921 -2.702454      6.164919 
1 1 1 20 13 13 o 126.4326 2.476502 160.1809       6.236501      154.7967       9.705790      165.6360       7.835476      124.2629 3.905345 128.6024 3.046396 -4.339493      4.953004 
1 1 1 20 13 14 o 222.3117 2.919376 495.9163       13.05677      509.0226       22.40125      482.8099       13.41099      225.0880 4.976109 219.5354 3.054403 5.552551       5.838752 
1 1 1 20 13 15 f 147.7475 2.742238 219.1241       8.104689      207.2222       11.26438      231.0970       11.64695      143.7157 3.918982 151.7794 3.836802 -8.063690      5.484475 
1 1 1 20 13 16 o 258.9656 2.706153 673.0292       13.96358      654.4677       21.91241      691.5906       17.32165      255.2811 4.291821 262.6502 3.297474 -7.369125      5.412307 
1 1 1 20 13 17 o 136.2209 2.793023 186.2520       7.622942      187.8814       12.79464      184.6225       8.281801      136.7155 4.679294 135.7262 3.050922 0.9892578      5.586047 
1 1 1 20 13 18 o 73.62322 3.419550 54.94043       5.163905      64.16447       8.685618      45.71639       5.586851      79.78712 5.442996 67.45933 4.140903 12.32779       6.839100 
1 1 1 20 13 19 f 96.09927 3.773829 93.16142       7.155363      89.47746       12.71671      96.84536       6.565931      93.95217 6.767651 98.24637 3.341564 -4.294197      7.547658 
1 1 1 20 13 20 o 70.73540 3.765671 50.54803       5.388484      54.91918       8.784801      46.18397       6.242169      73.72330 5.957955 67.74749 4.606937 5.975815       7.531341 
1 1 1 20 13 21 o 128.0626 2.657012 164.9984       6.841519      176.7587       10.63386      153.3090       8.614774      132.5732 4.010563 123.5521 3.486292 9.021088       5.314023 
1 1 1 20 13 22 o 76.44997 3.365447 59.17698       5.066138      50.84558       7.559181      67.51546       6.744461      70.96651 5.325879 81.93343 4.115818 -10.96691      6.730895 
1 1 1 20 13 23 o 72.40956 3.835312 53.07012       5.581183      55.25924       8.961915      50.87392       6.658030      73.80087 6.071687 71.01826 4.687548 2.782616       7.670625 
1 1 1 20 13 24 o 238.8881 2.800101 574.4127       13.35432      562.6524       20.13420      586.1022       17.55543      236.3304 4.259757 241.4458 3.635481 -5.115448      5.600201 
1 1 1 20 13 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 13 26 o 31.66578 6.302997 11.00226       4.519214      17.80339       7.339560      4.200410       5.276549      40.50901 9.257483 22.82256 8.556292 17.68645       12.60599 
1 1 1 20 13 27 f 72.27617 3.474218 53.21889       5.082433      60.14047       8.133026      46.30441       6.099061      76.91299 5.287160 67.63935 4.508515 9.273643       6.948436 
1 1 1 20 13 28 o 25.42172 6.211753 5.483417       4.149402      2.146609       6.492253      8.820225       5.169573      22.14220 9.110255 28.70124 8.446700 -6.559036      12.42351 
1 1 1 20 13 29 o 37.64769 5.707139 15.46550       4.194035      16.78322       6.522007      14.14778       5.275132      39.12418 8.569739 36.17120 7.539581 2.952972       11.41428 
1 1 1 20 13 30 f 59.20793 4.043824 36.20897       4.782050      35.84766       7.382068      36.57028       6.075682      58.71590 6.286260 59.69996 5.088515 -0.9840622     8.087647 
1 1 1 20 13 31 o 78.23499 3.188337 63.01678       5.044885      72.89968       7.991336      53.14097       6.157155      84.31361 4.739055 72.15636 4.266537 12.15725       6.376675 
1 1 1 20 13 32 o 50.93654 4.430220 27.42417       4.407987      23.95984       6.891819      30.88850       5.496169      47.24271 7.294055 54.63037 5.030324 -7.387653      8.860440 
1 1 1 20 13 33 o 97.35350 3.016508 97.55381       5.766089      86.43112       8.990252      108.6057       7.219123      91.39450 4.918377 103.3125 3.493829 -11.91800      6.033015 
1 1 1 20 13 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 13 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 13 36 o 19.67531 5.768985 3.032882       3.745585      4.753712       5.834100      1.311344       4.699161      21.85829 8.767699 17.49233 7.500148 4.365953       11.53797 
1 1 1 20 13 37 o 16.57195 5.336159 -4.025423      4.636108      -10.04585      8.069265      1.996417       4.567389      15.56393 7.630939 17.57996 7.461042 -2.016027      10.67232 
1 1 1 20 13 38 o 25.33021 5.955331 8.728126       3.982208      7.162447       6.744461      10.29380       4.235834      22.68445 9.301375 27.97597 7.439644 -5.291515      11.91066 
1 1 1 20 14 0  o 209.3150 4.866159 439.3818       20.34674      439.3818       20.34674      439.3818       20.34674      209.3150 4.866159 209.3150 4.866159 0.000000       0.000000 
1 1 1 20 14 1  o 294.7216 3.872361 871.3957       22.82631      883.4393       32.64546      859.3521       31.91575      296.7542 5.500420 292.6888 5.452164 4.065399       7.744721 
1 1 1 20 14 2  o 295.7435 3.539731 877.0634       20.89224      895.4830       26.92825      858.6436       31.95826      298.9242 4.504194 292.5629 5.461776 6.361328       7.079461 
1 1 1 20 14 3  o 99.13367 3.029759 98.47480       6.006963      99.96254       8.338477      96.98705       8.643111      99.88757 4.173932 98.37978 4.392727 1.507782       6.059518 
1 1 1 20 14 4  o 119.4387 2.674728 142.8947       6.413614      148.2081       10.02459      137.6522       7.998421      121.6272 4.121032 117.2503 3.410833 4.376930       5.349457 
1 1 1 20 14 5  o 129.7916 2.607811 168.7532       6.770674      168.8241       10.35048      168.6115       8.728126      129.8156 3.986608 129.7675 3.362986 0.4812622E-01  5.215622 
1 1 1 20 14 6  o 220.8262 2.815253 488.5484       12.43333      489.5402       17.66170      487.5565       17.50584      221.0490 3.994975 220.6035 3.967717 0.4454803      5.630507 
1 1 1 20 14 7  o 164.2384 2.523086 270.1327       8.281801      267.2989       12.50417      273.0373       10.86057      163.3471 3.827486 165.1297 3.288496 -1.782593      5.046172 
1 1 1 20 14 8  o 89.01263 3.030723 79.41744       5.392735      78.99238       8.388069      79.84251       6.777758      88.75214 4.725559 89.27314 3.796079 -0.5210037     6.061446 
1 1 1 20 14 9  o 182.3893 2.523699 333.1849       9.202788      332.1222       13.95650      334.3184       12.00117      182.0653 3.832829 182.7134 3.284153 -0.6481018     5.047399 
1 1 1 20 14 10 o 84.78883 2.861636 72.12038       4.889026      76.51279       7.849646      67.73508       5.829850      87.34849 4.493292 82.22917 3.544879 5.119316       5.723272 
1 1 1 20 14 11 o 76.45921 3.089647 58.65273       4.745210      60.96227       7.530843      56.34317       5.777424      77.94062 4.831141 74.97780 3.852757 2.962822       6.179293 
1 1 1 20 14 12 o 82.30477 2.889213 67.94761       4.770715      69.77541       7.608772      66.11980       5.760421      83.38298 4.562545 81.22656 3.545898 2.156418       5.778427 
1 1 1 20 14 13 o 209.9755 2.978516 442.4282       12.49709      441.5071       21.50859      443.3491       12.73088      209.5809 5.131334 210.3700 3.025830 -0.7890625     5.957033 
1 1 1 20 14 14 o 55.20836 4.265978 30.86724       4.818889      34.96918       8.175533      26.75822       5.107938      58.82598 6.948915 51.59074 4.950440 7.235233       8.531956 
1 1 1 20 14 15 o 152.6480 2.876638 234.2850       8.876901      251.7838       14.57994      216.7154       10.13795      158.2868 4.605546 147.0093 3.448062 11.27744       5.753276 
1 1 1 20 14 16 o 284.7374 3.294764 814.7195       18.68187      792.0491       29.87541      838.0985       22.42958      280.4914 5.325550 288.9834 3.880774 -8.492035      6.589529 
1 1 1 20 14 17 o 152.5222 2.866928 233.6474       8.742295      233.0806       14.07694      234.2142       10.36465      152.2374 4.623350 152.8069 3.391421 -0.5694580     5.733855 
1 1 1 20 14 18 o 85.69192 3.161166 74.24575       5.477749      85.22675       8.692703      63.32851       6.670782      92.01309 4.723623 79.37074 4.202292 12.64235       6.322332 
1 1 1 20 14 19 o 62.87648 3.964031 39.99919       4.921615      35.90434       7.530843      44.09404       6.334267      59.57179 6.320812 66.18118 4.785551 -6.609383      7.928062 
1 1 1 20 14 20 o 113.3528 2.796783 129.3633       6.380316      138.0064       10.03876      120.6493       7.877984      117.1077 4.286125 109.5979 3.594039 7.509743       5.593566 
1 1 1 20 14 21 o 94.54344 3.200127 89.97337       6.049470      88.98154       8.784801      91.03606       8.317224      93.98222 4.673651 95.10466 4.372669 -1.122437      6.400254 
1 1 1 20 14 22 o 36.59838 5.807277 14.62245       4.257087      19.58869       6.862772      9.656199       5.037800      43.02129 8.271130 30.17547 8.153911 12.84581       11.61455 
1 1 1 20 14 23 o 88.62766 3.204365 79.27575       5.620856      73.67899       8.834394      84.87252       6.950621      85.38759 5.173114 91.86771 3.782950 -6.480125      6.408730 
1 1 1 20 14 24 o 31.66862 6.812446 2.034673       7.261631      -13.78647      12.89382      17.85299       6.689201      22.52189 10.66657 40.81534 8.477143 -18.29345      13.62489 
1 1 1 20 14 25 o 44.35519 5.897682 21.10478       4.960579      15.03335       7.743378      27.18330       6.207455      37.09199 10.14773 51.61840 6.012831 -14.52642      11.79536 
1 1 1 20 14 26 o 50.45458 4.732994 26.12062       4.806845      27.51627       7.757547      24.72497       5.676824      51.64285 7.510767 49.26632 5.761364 2.376526       9.465988 
1 1 1 20 14 27 o 84.56801 3.141094 72.47462       5.326140      74.24575       8.508506      70.67515       6.413614      85.47136 4.977402 83.66465 3.832929 1.806709       6.282187 
1 1 1 20 14 28 o 128.8883 2.589887 167.9031       6.636776      160.2518       10.34340      175.4835       8.317224      125.7965 4.111162 131.9801 3.150938 -6.183640      5.179774 
1 1 1 20 14 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 14 30 o 41.18970 5.415583 18.51893       4.337850      21.07644       6.849311      15.96850       5.324723      43.92859 8.099946 38.45080 7.190622 5.477795       10.83117 
1 1 1 20 14 31 o 156.7524 2.563110 249.5167       8.012589      244.0616       12.61044      254.9718       9.875818      154.7247 4.075122 158.7801 3.109905 -4.055359      5.126219 
1 1 1 20 14 32 o 49.64115 4.583679 26.29773       4.458287      23.52060       6.994544      29.07486       5.530883      46.48270 7.523815 52.79959 5.237619 -6.316895      9.167357 
1 1 1 20 14 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 14 34 o 33.23966 6.379862 13.44641       4.391693      14.13361       6.899612      12.75922       5.434533      33.68380 9.708928 32.79553 8.279328 0.8882713      12.75972 
1 1 1 20 14 35 o 35.61539 5.805223 15.26714       4.084224      15.13253       6.407947      15.40174       5.065430      34.75315 9.108773 36.47763 7.199495 -1.724476      11.61045 
1 1 1 20 14 36 o 27.60210 5.845025 9.464915       3.703786      7.091603       5.796553      11.83823       4.611313      24.06643 8.978803 31.13777 7.485877 -7.071339      11.69005 
1 1 1 20 14 37 f 61.95161 3.530566 42.30874       4.368313      42.86134       6.905280      41.76323       5.351645      61.60315 5.604649 62.30007 4.295055 -0.6969261     7.061132 
1 1 1 20 15 0  o 96.82394 3.663287 94.22409       7.071766      94.22409       7.071766      94.22409       7.071766      96.82394 3.663287 96.82394 3.663287 0.000000       0.000000 
1 1 1 20 15 1  o 63.32785 4.257845 40.27548       5.412572      40.99102       9.408240      39.56703       5.359438      63.82057 7.370852 62.83514 4.264682 0.9854355      8.515690 
1 1 1 20 15 2  o 58.92335 4.344100 35.01877       5.251045      39.37575       9.061099      30.65471       5.307012      62.55557 7.242439 55.29113 4.799153 7.264435       8.688199 
1 1 1 20 15 3  o 202.5939 2.867412 411.2563       11.61152      410.2644       19.73038      412.2481       12.24205      202.2601 4.877479 202.9277 3.016357 -0.6676331     5.734825 
1 1 1 20 15 4  o 51.08214 5.814165 27.45251       5.304887      18.50476       8.876901      36.40025       5.811430      41.91775 10.58094 60.24653 4.823041 -18.32878      11.62833 
1 1 1 20 15 5  o 250.2191 3.175562 627.9716       16.01810      654.1844       26.89991      601.7589       17.39249      255.3246 5.267787 245.1136 3.547843 10.21100       6.351124 
1 1 1 20 15 6  o 192.4240 2.928613 371.2287       11.19354      356.7055       18.15053      385.7520       13.10636      188.5840 4.812322 196.2641 3.338959 -7.680145      5.857225 
1 1 1 20 15 7  o 26.08721 6.665792 5.690993       4.779216      10.97392       8.062181      0.4041009      5.128483      33.26622 10.69487 18.90820 7.959327 14.35802       13.33158 
1 1 1 20 15 8  o 166.4442 2.529021 277.5005       8.416408      275.4460       12.70254      279.6259       11.03768      165.7956 3.830783 167.0928 3.302860 -1.297150      5.058042 
1 1 1 20 15 9  o 205.1938 3.138409 422.3790       12.83715      409.2726       19.78706      435.4853       16.35815      201.9439 4.899147 208.4438 3.923877 -6.499847      6.276819 
1 1 1 20 15 10 o 154.6878 2.886937 240.1652       8.983169      255.9636       14.09111      224.4375       11.15103      159.7337 4.410812 149.6419 3.725905 10.09178       5.773875 
1 1 1 20 15 11 o 146.1091 2.800948 214.0941       8.154280      208.7099       13.01426      219.5492       9.826226      144.1969 4.512671 148.0213 3.319193 -3.824463      5.601896 
1 1 1 20 15 12 o 47.63906 5.504487 23.51352       4.991043      19.65954       7.608772      27.36041       6.461789      43.17678 9.096315 52.10134 6.201173 -8.924557      11.00897 
1 1 1 20 15 13 o 61.35700 4.448401 38.62479       5.246085      28.61437       7.778800      48.63522       7.044137      53.17461 7.314393 69.53938 5.064854 -16.36477      8.896802 
1 1 1 20 15 14 o 101.4216 3.371362 103.4340       6.818140      100.2459       10.37173      106.6220       8.855647      99.80791 5.195848 103.0354 4.297381 -3.227478      6.742724 
1 1 1 20 15 15 o 68.83027 3.991643 47.74257       5.489793      46.42484       7.948828      49.06738       7.573349      67.85780 5.856975 69.80273 5.424823 -1.944931      7.983286 
1 1 1 20 15 16 o 130.7741 2.716810 171.9413       7.141194      184.6934       11.03768      159.1891       9.068183      135.5985 4.069984 125.9496 3.599924 9.648895       5.433620 
1 1 1 20 15 17 o 111.0296 2.877399 124.1208       6.342061      113.9899       9.479085      134.1808       8.430575      106.4518 4.452288 115.6075 3.646208 -9.155617      5.754798 
1 1 1 20 15 18 o 47.38974 4.630398 22.89008       4.441284      26.54569       7.065390      19.23446       5.383525      51.16562 6.904431 43.61386 6.171805 7.551750       9.260797 
1 1 1 20 15 19 o 110.5459 2.752769 122.9164       6.118898      127.7339       9.897071      118.0281       7.197870      112.6526 4.392738 108.4391 3.318855 4.213593       5.505538 
1 1 1 20 15 20 o 110.8539 2.759513 123.7665       6.191869      134.4642       10.13086      113.0689       7.119940      115.5785 4.382674 106.1292 3.354372 9.449287       5.519025 
1 1 1 20 15 21 o 68.69302 3.769112 47.72131       5.196494      49.80416       8.040927      45.63138       6.584351      70.13850 5.732178 67.24754 4.895607 2.890968       7.538225 
1 1 1 20 15 22 o 124.1306 2.778485 155.1509       6.929367      164.2191       10.76847      146.0827       8.728126      127.7049 4.216152 120.5562 3.619941 7.148712       5.556970 
1 1 1 20 15 23 o 235.3118 2.787899 557.9058       13.04968      535.9438       20.45300      579.8678       16.21646      230.4537 4.437552 240.1699 3.376040 -9.716232      5.575797 
1 1 1 20 15 24 o 108.7662 3.213511 119.7283       7.027133      124.8292       11.25730      114.6983       8.409323      110.9100 5.074973 106.6224 3.943508 4.287598       6.427022 
1 1 1 20 15 25 o 138.4012 2.653935 193.0531       7.367898      197.3038       11.78864      188.8024       8.834394      139.7863 4.216666 137.0162 3.223850 2.770065       5.307870 
1 1 1 20 15 26 f 80.02879 3.296273 65.00045       5.318347      69.46369       8.515590      60.54429       6.368981      82.65820 5.151086 77.39938 4.114362 5.258827       6.592546 
1 1 1 20 15 27 o 45.08443 5.141063 22.47209       4.517797      32.26289       7.282885      12.68837       5.349519      55.95836 6.507414 34.21051 7.960883 21.74785       10.28213 
1 1 1 20 15 28 o 70.81987 3.767188 51.49736       5.258838      46.70114       8.210957      56.28649       6.569473      67.24845 6.104941 74.39128 4.415486 -7.142830      7.534376 
1 1 1 20 15 29 o 84.44836 3.137591 72.68716       5.261672      68.91819       8.189702      76.51279       6.606313      82.03195 4.991776 86.86478 3.802642 -4.832832      6.275182 
1 1 1 20 15 30 o 95.67731 2.940430 93.37395       5.632900      94.64915       8.976085      92.09874       6.808222      96.08578 4.670870 95.26884 3.573163 0.8169403      5.880860 
1 1 1 20 15 31 o 18.55274 5.730240 0.2332223E-01  4.030382      0.4030382      6.380316      -0.3563512     4.925865      19.93083 8.645587 17.17464 7.523058 2.756187       11.46048 
1 1 1 20 15 32 o 27.25727 6.594634 8.133026       4.381774      8.543928       6.961956      7.722124       5.324015      28.03729 9.913976 26.47725 8.698842 1.560036       13.18927 
1 1 1 20 15 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 15 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 15 35 o 51.67591 4.818758 31.37733       4.293218      19.09278       6.549637      43.65480       5.553554      39.05921 8.615582 64.29261 4.318967 -25.23340      9.637516 
1 1 1 20 15 36 o 43.32929 5.120678 24.06610       4.515672      35.30215       7.743378      12.83006       4.647444      54.44825 7.110769 32.21033 7.370369 22.23792       10.24136 
1 1 1 20 15 37 f 34.70928 5.474225 15.96850       3.928365      10.71179       6.096227      21.23230       4.955620      26.63819 9.290968 42.78037 5.791932 -16.14219      10.94845 
1 1 1 20 16 0  o 65.30877 4.948084 43.44935       6.389527      43.44935       6.389527      43.44935       6.389527      65.30877 4.948084 65.30877 4.948084 0.000000       0.000000 
1 1 1 20 16 1  o 68.37270 3.336779 46.97035       4.554636      50.99436       6.519173      42.94635       6.363315      71.31300 4.570817 65.43240 4.862510 5.880600       6.673557 
1 1 1 20 16 2  o 50.31032 4.194759 25.73805       4.157195      20.10586       5.788051      31.37024       5.968707      44.71635 6.471963 55.90430 5.338325 -11.18795      8.389519 
1 1 1 20 16 3  o 59.76400 3.884521 35.92559       4.666572      39.03569       7.176617      32.82257       5.967998      62.34085 5.755950 57.18716 5.217953 5.153694       7.769041 
1 1 1 20 16 4  o 172.6394 3.003811 299.1792       10.23004      276.9338       16.57069      321.4246       12.00117      166.1324 4.987194 179.1465 3.349542 -13.01408      6.007623 
1 1 1 20 16 5  o 63.86557 4.108349 41.19647       5.421073      47.06245       9.542846      35.33049       5.149027      68.36969 6.978857 59.36145 4.337013 9.008240       8.216699 
1 1 1 20 16 6  o 138.8132 2.873269 193.1240       7.955913      190.7861       13.62353      195.5327       8.203872      137.8810 4.940322 139.7455 2.935290 -1.864548      5.746539 
1 1 1 20 16 7  o 166.2952 3.526326 277.6422       11.66820      273.8166       21.11186      281.3971       9.939578      164.9549 6.399283 167.6356 2.964639 -2.680664      7.052653 
1 1 1 20 16 8  o 191.4023 3.629786 367.9698       13.82898      362.7273       24.44867      373.2124       12.92925      189.7981 6.440704 193.0065 3.349433 -3.208328      7.259572 
1 1 1 20 16 9  o 75.36966 5.247030 58.27016       7.219123      43.51311       12.65295      73.04137       6.945662      65.40478 9.672802 85.33453 4.069666 -19.92976      10.49406 
1 1 1 20 16 10 o 167.3094 3.965591 281.8929       13.38265      296.1328       22.35165      267.6531       14.73580      171.3523 6.522133 163.2664 4.512807 8.085892       7.931182 
1 1 1 20 16 11 o 100.6069 4.351113 102.0171       8.749379      102.1587       15.16795      101.9462       8.721042      100.4510 7.549926 100.7628 4.327510 -0.3117981     8.702226 
1 1 1 20 16 12 o 196.6463 2.841083 388.3733       11.18645      405.8720       16.38649      370.8036       15.22463      201.0776 4.074667 192.2149 3.960314 8.862701       5.682165 
1 1 1 20 16 13 f 48.64663 5.046478 23.95984       4.915238      24.80290       7.261631      23.10970       6.626858      49.49014 7.336442 47.80313 6.931406 1.687008       10.09296 
1 1 1 20 16 14 o 96.04227 3.365262 92.87803       6.465331      87.13957       8.933578      98.54564       9.344479      93.08527 4.798599 98.99928 4.719469 -5.914001      6.730523 
1 1 1 20 16 15 o 96.28652 3.052564 93.30310       5.841185      85.93520       8.685618      100.7418       7.807138      92.41574 4.699210 100.1573 3.897439 -7.741562      6.105129 
1 1 1 20 16 16 o 26.99127 6.291983 5.733500       4.471748      0.1769004      6.810347      11.29272       5.796553      21.32116 9.081679 32.66138 8.710873 -11.34023      12.58397 
1 1 1 20 16 17 o 38.36163 6.230217 15.58594       4.707662      14.68620       7.254546      16.49276       5.998462      37.12792 9.673617 39.59533 7.853888 -2.467415      12.46043 
1 1 1 20 16 18 o 26.02951 6.594907 5.656280       4.483083      3.650652       6.879067      7.658363       5.751212      24.34649 9.603628 27.71252 9.041102 -3.366037      13.18981 
1 1 1 20 16 19 o 78.37990 3.529026 62.21624       5.594644      70.12255       8.912323      54.30991       6.765006      83.33138 5.347520 73.42842 4.606531 9.902954       7.058052 
1 1 1 20 16 20 f 23.22723 6.805962 1.820721       5.280091      1.470038       8.784801      2.171405       5.857479      24.89421 10.44518 21.56026 8.728273 3.333948       13.61192 
1 1 1 20 16 21 o 44.76607 5.779603 20.94184       5.025048      19.40449       7.637110      22.47918       6.535468      42.56264 9.231114 46.96950 6.957140 -4.406860      11.55921 
1 1 1 20 16 22 o 60.93180 4.798595 38.10054       5.866689      43.83191       8.912323      32.37625       7.630026      65.53522 6.799644 56.32839 6.772807 9.206829       9.597191 
1 1 1 20 16 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 16 24 o 99.70743 3.396623 100.8835       6.640318      91.60282       10.86765      110.0934       7.637110      94.86763 5.727797 104.5472 3.652469 -9.679588      6.793246 
1 1 1 20 16 25 o 146.4208 2.667635 216.3612       7.856731      226.2795       12.63878      206.4428       9.337394      149.6203 4.223619 143.2213 3.259778 6.398941       5.335270 
1 1 1 20 16 26 o 31.61047 5.646231 8.543928       4.785592      -3.406236      6.953454      20.49551       6.576558      18.78593 8.529757 44.43500 7.400199 -25.64907      11.29246 
1 1 1 20 16 27 o 79.81906 3.341793 64.88709       5.359438      67.41627       8.551013      62.35084       6.458246      81.20795 5.264887 78.43018 4.117195 2.777771       6.683586 
1 1 1 20 16 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 16 29 o 60.76922 3.946464 38.61062       4.594310      29.86124       7.056180      47.36000       5.885109      53.40214 6.606645 68.13629 4.318630 -14.73415      7.892929 
1 1 1 20 16 30 o 72.79301 3.399351 54.51536       4.937201      53.96986       7.792970      55.06087       6.066473      72.16164 5.399662 73.42439 4.131102 -1.262749      6.798703 
1 1 1 20 16 31 o 54.34393 4.327417 31.20730       4.698452      31.24981       7.304138      31.17188       5.910613      54.05787 6.755851 54.62999 5.409678 -0.5721245     8.654834 
1 1 1 20 16 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 16 33 o 26.56825 6.780010 7.459997       4.955620      2.767921       7.176617      12.14995       6.837267      21.96729 9.338751 31.16920 9.831676 -9.201910      13.56002 
1 1 1 20 16 34 o 29.12236 6.262733 10.36465       4.144443      8.664365       6.519882      12.05785       5.119273      26.65850 9.577127 31.58622 8.072544 -4.927719      12.52547 
1 1 1 20 16 35 o 55.20696 4.029726 33.76481       4.438450      33.92776       6.974707      33.60895       5.490501      54.65227 6.380986 55.76165 4.923187 -1.109383      8.059451 
1 1 1 20 16 36 o 50.76226 4.364269 29.79040       4.323681      26.84324       6.767131      32.73047       5.382816      47.00368 7.198512 54.52083 4.936477 -7.517143      8.728539 
1 1 1 20 17 0  o 94.93903 3.868123 90.68183       7.318307      90.68183       7.318307      90.68183       7.318307      94.93903 3.868123 94.93903 3.868123 0.000000       0.000000 
1 1 1 20 17 1  o 132.7865 2.461565 176.6879       6.537593      179.4508       9.358648      173.8541       9.131943      133.8372 3.496280 131.7357 3.466010 2.101547       4.923129 
1 1 1 20 17 2  o 118.2476 2.519718 140.1318       5.960205      138.8566       8.274716      141.3361       8.579351      117.7275 3.514353 118.7677 3.611820 -1.040237      5.039436 
1 1 1 20 17 3  o 132.3915 2.643308 175.7669       6.974000      184.6934       9.358648      166.8404       10.34340      135.7770 3.446331 129.0061 4.008879 6.770889       5.286615 
1 1 1 20 17 4  f 71.62857 3.649073 51.57529       5.228374      48.28807       7.162447      54.86959       7.622942      69.34103 5.164653 73.91611 5.156482 -4.575089      7.298147 
1 1 1 20 17 5  o 99.94771 3.138838 100.3168       6.321515      104.7800       10.47800      95.78268       7.076016      102.1350 5.129485 97.76038 3.619062 4.374664       6.277677 
1 1 1 20 17 6  o 124.8566 2.917952 156.9929       7.141194      137.0854       11.16520      176.9004       8.905238      116.8435 4.777843 132.8696 3.351120 -16.02609      5.835905 
1 1 1 20 17 7  o 75.28337 3.817199 57.20040       5.604562      50.15130       9.075267      64.25658       6.580100      70.53680 6.433002 80.02995 4.111024 -9.493149      7.634398 
1 1 1 20 17 8  o 120.4998 3.839563 146.0827       9.245295      146.0119       16.52110      146.1536       8.288886      120.2520 6.869362 120.7475 3.432322 -0.4954681     7.679125 
1 1 1 20 17 9  o 85.70619 3.804515 74.03321       6.398736      67.88385       10.65512      80.19674       7.084518      82.01339 6.495961 89.39900 3.962302 -7.385612      7.609031 
1 1 1 20 17 10 o 104.3236 3.329752 109.8100       6.740210      96.49113       11.31397      123.0581       7.325392      97.85480 5.781002 110.7925 3.305906 -12.93768      6.659504 
1 1 1 20 17 11 o 122.7540 3.089468 151.3961       7.573349      150.4043       12.92925      152.3171       7.877984      122.2389 5.288517 123.2692 3.195439 -1.030334      6.178935 
1 1 1 20 17 12 o 186.1660 2.958055 348.0623       10.95267      340.2694       18.59686      355.8553       11.57610      183.9030 5.056160 188.4290 3.071742 -4.525970      5.916110 
1 1 1 20 17 13 o 107.8589 3.240756 116.9654       7.029967      120.2243       12.07202      113.7774       7.212039      109.2110 5.526926 106.5068 3.385719 2.704208       6.481513 
1 1 1 20 17 14 o 20.55885 6.422752 -1.630856      5.223415      0.9372817      8.671450      -4.199702      5.822057      24.48265 10.32987 16.63505 7.635498 7.847599       12.84550 
1 1 1 20 17 15 o 144.4753 2.659410 209.7726       7.622942      197.8706       11.93033      221.6746       9.500339      140.2891 4.252051 148.6614 3.195293 -8.372345      5.318820 
1 1 1 20 17 16 o 249.1314 2.888605 624.0751       14.35323      596.5872       21.28189      651.4922       19.25572      243.5604 4.368915 254.7024 3.780043 -11.14198      5.777209 
1 1 1 20 17 17 o 24.99137 6.646345 4.879816       4.567389      6.913781       7.054055      2.845851       5.804345      27.80842 9.964562 22.17433 8.797903 5.634085       13.29269 
1 1 1 20 17 18 o 68.29111 3.919158 47.12621       5.347394      46.33275       7.941744      47.91968       7.162447      67.67357 5.867686 68.90864 5.197061 -1.235069      7.838315 
1 1 1 20 17 19 o 63.04880 4.165529 40.31091       5.280091      42.82591       8.246379      37.80299       6.597811      64.94881 6.348368 61.14879 5.394883 3.800018       8.331059 
1 1 1 20 17 20 o 131.2004 3.321629 173.6415       8.742295      176.9713       14.52326      170.3118       9.734127      132.2529 5.490718 130.1480 3.739638 2.104858       6.643258 
1 1 1 20 17 21 o 39.43919 6.848759 17.00993       5.435950      21.24647       8.402238      12.77339       6.903154      44.36637 9.734532 34.51200 9.636434 9.854370       13.69752 
1 1 1 20 17 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 17 23 o 127.4152 3.034987 163.9357       7.729208      163.5107       11.72488      164.4317       10.08127      127.1390 4.611046 127.6915 3.947511 -0.5524597     6.069974 
1 1 1 20 17 24 o 129.4592 3.179790 169.6034       8.210957      166.7695       13.12053      172.4372       9.868733      128.1516 5.119144 130.7668 3.773411 -2.615189      6.359581 
1 1 1 20 17 25 o 29.12888 6.716486 8.317224       4.738125      4.909571       7.169532      11.72488       6.198245      25.45707 9.860496 32.80068 9.122248 -7.343607      13.43297 
1 1 1 20 17 26 o 18.22639 5.829290 -2.811136      4.546844      -3.071139      6.875525      -2.551135      5.952412      18.81057 8.517863 17.64220 7.960434 1.168369       11.65858 
1 1 1 20 17 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 17 28 o 40.83552 5.742314 18.41266       4.577307      21.45192       7.254546      15.37340       5.580475      44.14783 8.520266 37.52320 7.700762 6.624622       11.48463 
1 1 1 20 17 29 o 46.34295 4.845144 22.72005       4.536217      25.01543       7.268716      20.42466       5.427449      48.45202 7.500941 44.23388 6.134945 4.218143       9.690288 
1 1 1 20 17 30 o 31.43946 6.238609 11.05893       4.414363      6.806097       6.864190      15.30964       5.552136      26.02586 9.758647 36.85305 7.774944 -10.82720      12.47722 
1 1 1 20 17 31 o 37.26150 6.519696 16.69821       4.930116      14.74997       7.729208      18.65354       6.125983      34.24414 10.38471 40.27886 7.885653 -6.034718      13.03939 
1 1 1 20 17 32 f 35.25691 6.118624 15.19629       4.713330      9.684536       7.417490      20.70805       5.818514      27.61753 10.18596 42.89629 6.782073 -15.27876      12.23725 
1 1 1 20 17 33 o 26.34838 5.994511 8.182618       4.104770      15.36632       6.495085      1.005293       5.020798      34.85506 9.186684 17.84170 7.703343 17.01336       11.98902 
1 1 1 20 17 34 o 60.33521 3.773606 39.62371       4.543301      39.19864       6.916615      40.04170       5.892902      59.56329 5.806106 61.10713 4.821779 -1.543842      7.547213 
1 1 1 20 17 35 o 63.69516 3.761974 45.00086       4.716872      41.35941       7.325392      48.63522       5.942493      60.14330 6.089948 67.24702 4.418407 -7.103714      7.523947 
1 1 1 20 17 36 o 36.39518 5.825845 18.15762       4.182700      21.02685       6.611980      15.29548       5.124940      38.75576 8.738702 34.03460 7.706943 4.721161       11.65169 
1 1 1 20 18 0  o 12.49214 8.718153 -6.230125      7.545012      -6.230125      7.545012      -6.230125      7.545012      12.49214 8.718153 12.49214 8.718153 0.000000       0.000000 
1 1 1 20 18 1  o 151.8253 3.054832 231.3804       9.287803      235.8436       14.22571      226.8463       11.95158      153.2606 4.641021 150.3901 3.973526 2.870483       6.109663 
1 1 1 20 18 2  o 89.55412 3.546278 80.62181       6.350562      80.83435       9.542846      80.33842       8.388069      89.66486 5.321397 89.44339 4.689038 0.2214737      7.092556 
1 1 1 20 18 3  o 98.30959 3.145291 97.34127       6.181951      85.65182       8.359732      109.1016       9.110690      92.36272 4.525490 104.2564 4.369365 -11.89372      6.290581 
1 1 1 20 18 4  o 64.94707 4.015609 42.70547       5.212788      36.19481       6.965498      49.21615       7.757547      59.95752 5.808694 69.93662 5.546127 -9.979103      8.031218 
1 1 1 20 18 5  o 70.46442 3.864492 50.07337       5.407613      54.88376       7.346645      45.27007       7.934660      73.89199 4.971205 67.03684 5.918134 6.855148       7.728984 
1 1 1 20 18 6  o 119.4485 2.751159 143.2489       6.594269      149.1291       10.14503      137.2980       8.423491      121.8882 4.161613 117.0088 3.599511 4.879356       5.502318 
1 1 1 20 18 7  f 43.78629 4.534755 19.35490       3.965913      19.12111       6.116773      19.58161       5.049136      43.48484 7.033224 44.08775 5.726235 -0.6029015     9.069510 
1 1 1 20 18 8  f 133.6056 2.578597 179.0258       6.897486      180.7260       11.02351      177.3963       8.295970      134.1713 4.107998 133.0399 3.117851 1.131439       5.157193 
1 1 1 20 18 9  o 170.2414 2.602458 290.7486       8.855647      288.2690       13.57394      293.2282       11.37065      169.4657 4.004921 171.0171 3.324420 -1.551361      5.204917 
1 1 1 20 18 10 o 197.0567 2.587909 389.5776       10.21588      395.0327       16.42191      384.1226       12.16412      198.3486 4.139659 195.7648 3.106819 2.583786       5.175819 
1 1 1 20 18 11 o 85.79819 3.184435 73.96236       5.453662      73.25391       8.834394      74.74166       6.398736      85.29528 5.178712 86.30109 3.707216 -1.005814      6.368870 
1 1 1 20 18 12 o 108.4105 3.435934 118.6657       7.233293      105.4176       12.25622      131.9137       7.686701      102.1507 5.999083 114.6703 3.351652 -12.51961      6.871868 
1 1 1 20 18 13 o 148.6485 3.147498 222.8081       9.535762      244.9118       16.22355      200.7752       10.01751      155.8667 5.204301 141.4302 3.541502 14.43648       6.294996 
1 1 1 20 18 14 o 54.51297 5.659165 30.77514       5.785217      27.89175       10.04585      33.66563       5.745543      51.21333 10.16920 57.81262 4.969109 -6.599289      11.31833 
1 1 1 20 18 15 o 173.7624 3.045959 303.7133       10.53468      298.1873       17.96634      309.2392       11.00226      171.9439 5.224475 175.5809 3.133101 -3.636993      6.091918 
1 1 1 20 18 16 o 53.37690 6.268167 30.01710       6.150070      24.11570       10.73304      35.91142       6.003421      47.09859 11.48220 59.65522 5.031765 -12.55663      12.53633 
1 1 1 20 18 17 o 79.91838 4.034822 65.75141       6.801137      82.95970       12.04368      48.54311       6.325766      90.40693 6.660817 69.42983 4.555510 20.97710       8.069644 
1 1 1 20 18 18 o 134.9912 3.281692 183.7724       8.919409      189.7234       15.53635      177.8922       8.777717      136.8869 5.674886 133.0956 3.297525 3.791306       6.563384 
1 1 1 20 18 19 o 61.22629 4.444031 38.06512       5.416822      37.11579       8.728126      39.02153       6.414322      60.30824 7.236263 62.14434 5.160826 -1.836105      8.888062 
1 1 1 20 18 20 o 26.55442 7.533492 4.405862       6.210288      5.498294       10.57718      3.312721       6.516339      29.63743 11.83939 23.47141 9.318946 6.166023       15.06698 
1 1 1 20 18 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 18 22 f 93.81984 3.803679 89.40662       7.134109      88.91070       10.21588      89.90253       9.967916      93.53742 5.460849 94.10225 5.296323 -0.5648270     7.607359 
1 1 1 20 18 23 o 48.38364 5.913915 27.09828       5.335350      8.628942       7.814223      45.57470       7.268716      29.83270 10.50789 66.93459 5.429715 -37.10189      11.82783 
1 1 1 20 18 24 f 172.0043 2.813281 298.9666       9.677451      300.7378       14.77122      297.2664       12.51834      172.3589 4.285019 171.6497 3.646480 0.7091522      5.626562 
1 1 1 20 18 25 o 25.36464 6.739481 4.969789       4.907445      9.911241       7.615856      0.2563887E-01  6.187618      30.83760 10.40402 19.89168 8.569637 10.94592       13.47896 
1 1 1 20 18 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 18 27 o 55.75914 4.606873 32.46126       5.060471      28.28139       7.559181      36.64821       6.728167      51.88061 7.285169 59.63766 5.640870 -7.757053      9.213745 
1 1 1 20 18 28 o 60.08733 4.289334 37.64713       5.161780      38.65313       7.771716      36.64821       6.794053      60.75008 6.396466 59.42457 5.716535 1.325516       8.578669 
1 1 1 20 18 29 o 30.44589 6.676865 10.78264       4.553928      13.62353       6.980375      7.941744       5.851103      33.99290 9.755033 26.89888 9.119290 7.094023       13.35373 
1 1 1 20 18 30 o 86.11755 3.600768 76.93786       6.206038      78.14223       9.401155      75.80434       8.104689      86.55598 5.430679 85.67911 4.729676 0.8768768      7.201536 
1 1 1 20 18 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 18 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 18 33 o 33.27360 6.067952 13.81481       4.134524      12.51126       6.367565      15.11836       5.275132      30.98954 9.431285 35.55765 7.637475 -4.568108      12.13590 
1 1 1 20 18 34 o 27.30536 6.258458 9.982086       4.031091      13.58102       6.116773      6.388110       5.251753      31.68894 9.144037 22.92178 8.547501 8.767159       12.51692 
1 1 1 20 18 35 o 38.58345 5.772283 19.62411       4.411529      14.53035       6.820265      24.72497       5.598186      31.01281 9.823277 46.15408 6.064671 -15.14127      11.54457 
1 1 1 20 19 0  o 59.96668 7.611685 37.89508       8.891070      37.89508       8.891070      37.89508       8.891070      59.96668 7.611685 59.96668 7.611685 0.000000       0.000000 
1 1 1 20 19 1  o 139.6733 3.128146 196.2411       8.806056      212.1813       13.97067      180.3718       10.73304      145.2862 4.807983 134.0605 4.003060 11.22565       6.256292 
1 1 1 20 19 2  o 109.8629 3.056578 121.2161       6.712580      119.5867       9.833311      122.8455       9.139028      109.1043 4.506380 110.6215 4.130764 -1.517212      6.113156 
1 1 1 20 19 3  o 106.0127 3.062144 112.9981       6.480917      106.4803       9.266549      119.4450       9.061099      102.9503 4.500498 109.0751 4.153605 -6.124863      6.124289 
1 1 1 20 19 4  o 132.7491 2.743728 176.9004       7.268716      170.2410       10.76138      183.5599       9.769550      130.2186 4.132045 135.2797 3.610871 -5.061081      5.487457 
1 1 1 20 19 5  o 195.2645 2.683002 382.6348       10.49926      392.6240       16.00393      372.6457       13.58811      197.7688 4.046120 192.7602 3.524614 5.008575       5.366003 
1 1 1 20 19 6  o 101.2846 3.044507 103.0797       6.187618      108.8890       9.472000      97.34127       7.970083      104.0969 4.549609 98.47225 4.046867 5.624611       6.089013 
1 1 1 20 19 7  o 166.2153 2.676593 277.2172       8.898154      278.8466       13.53143      275.5877       11.56902      166.6615 4.059556 165.7691 3.489498 0.8924103      5.353185 
1 1 1 20 19 8  o 148.9005 2.524451 222.5247       7.516674      210.9061       10.49926      234.2142       10.75430      144.9927 3.620615 152.8082 3.518887 -7.815552      5.048903 
1 1 1 20 19 9  o 137.9060 2.923271 191.0694       8.048012      184.0558       11.68237      198.1540       11.08019      135.3338 4.316131 140.4783 3.943737 -5.144424      5.846541 
1 1 1 20 19 10 o 173.3829 2.608686 301.9422       8.997337      289.7568       14.20446      314.0567       11.03768      169.7963 4.182794 176.9694 3.118527 -7.173126      5.217372 
1 1 1 20 19 11 o 147.2553 3.072140 218.4157       8.869816      200.2793       14.89166      236.5520       9.634944      140.9336 5.283216 153.5769 3.136847 -12.64328      6.144280 
1 1 1 20 19 12 o 50.08836 4.576683 25.63179       4.662321      30.45634       7.559181      20.80723       5.461455      54.80377 6.896588 45.37295 6.018404 9.430817       9.153366 
1 1 1 20 19 13 o 87.89169 3.709627 77.85885       6.519173      76.58364       9.245295      79.20491       9.195704      87.14414 5.304600 88.63925 5.187151 -1.495110      7.419253 
1 1 1 20 19 14 o 258.3939 2.936007 671.6832       15.16795      672.0374       23.14512      671.3289       19.62411      258.3355 4.479662 258.4522 3.796469 -0.1166687     5.872014 
1 1 1 20 19 15 o 129.8366 2.812860 169.6742       7.226208      158.5515       11.50526      180.7969       8.749379      125.4599 4.585231 134.2133 3.259506 -8.753365      5.625720 
1 1 1 20 19 16 o 67.43163 5.262393 46.84991       6.582225      36.66238       11.42733      57.03037       6.535468      59.59385 9.587674 75.26941 4.341384 -15.67556      10.52479 
1 1 1 20 19 17 o 199.0435 3.181397 399.4251       12.73088      408.9892       22.03285      389.8610       12.74505      201.0451 5.479579 197.0420 3.234094 4.003067       6.362794 
1 1 1 20 19 18 o 72.74117 4.742138 54.13988       7.112856      61.67073       12.53251      46.61613       6.745169      77.53634 8.081702 67.94599 4.963625 9.590347       9.484276 
1 1 1 20 19 19 o 113.9957 4.251419 132.1971       9.656199      131.7720       17.19412      132.5513       8.791886      113.2583 7.590668 114.7331 3.831451 -1.474785      8.502838 
1 1 1 20 19 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 19 21 o 31.56199 8.133284 9.599521       6.977541      11.90199       12.35540      7.289969       6.485168      35.60004 13.14307 27.52394 9.584410 8.076099       16.26657 
1 1 1 20 19 22 o 94.44936 3.423016 90.39845       6.461789      89.97337       10.04585      90.89436       8.125941      94.07000 5.339560 94.82872 4.284536 -0.7587204     6.846032 
1 1 1 20 19 23 o 32.50915 6.231184 10.01042       5.020798      0.6461080      7.651280      19.38324       6.502170      22.49504 9.605227 42.52327 7.940418 -20.02823      12.46237 
1 1 1 20 19 24 o 80.20396 3.464460 65.50345       5.577641      67.74924       8.834394      63.25766       6.808930      81.41953 5.425230 78.98840 4.310082 2.431137       6.928920 
1 1 1 20 19 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 19 26 o 25.71133 6.696370 5.542218       4.744502      2.454785       7.112856      8.628942       6.277591      22.92184 9.494349 28.50081 9.445783 -5.578966      13.39274 
1 1 1 20 19 27 o 80.04137 3.622544 66.20482       5.828433      73.11222       8.926493      59.27616       7.495420      84.15122 5.303840 75.93152 4.935645 8.219704       7.245088 
1 1 1 20 19 28 o 48.38226 5.346945 25.86557       5.073223      31.88033       7.835476      19.85790       6.443369      54.54089 7.183122 42.22363 7.922248 12.31725       10.69389 
1 1 1 20 19 29 o 73.74594 3.963207 56.86742       5.831975      55.35843       8.756464      58.36934       7.700871      72.51180 6.037958 74.98008 5.135278 -2.468285      7.926413 
1 1 1 20 19 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 19 31 o 19.49751 9.461034 -12.48292      11.59027      -12.48292      11.59027      ?              ?             19.49751 9.461034 ?        ?        ?              ?        
1 1 1 20 19 32 o 19.14786 5.966115 0.6030342      4.457579      0.3567055      6.548929      0.8494337      6.048761      19.26113 8.536376 19.03459 8.337172 0.2265415      11.93223 
1 1 1 20 19 33 o 15.96378 5.241042 -2.649610      4.062971      -1.397067      5.919823      -3.902861      5.566306      16.92396 7.739286 15.00360 7.069479 1.920360       10.48208 
1 1 1 20 19 34 o 46.44947 4.714588 25.46884       4.381066      26.13479       6.645986      24.79581       5.710121      46.53949 7.140157 46.35944 6.158531 0.1800499      9.429175 
1 1 1 20 20 0  o 131.3889 3.610595 173.2873       9.472000      173.2873       9.472000      173.2873       9.472000      131.3889 3.610595 131.3889 3.610595 0.000000       0.000000 
1 1 1 20 20 1  f 85.31255 3.097583 73.46645       5.265922      63.57646       7.261631      83.31393       7.630026      79.53822 4.564869 91.08687 4.188324 -11.54865      6.195166 
1 1 1 20 20 2  o 68.27698 3.694662 47.07662       5.007337      52.52462       6.952037      41.62862       7.212039      72.27465 4.809457 64.27931 5.609922 7.995338       7.389324 
1 1 1 20 20 3  f 22.77763 6.113832 2.463287       4.203244      7.254546       5.923365      -2.330806      5.965164      27.42169 9.175414 18.13358 8.082544 9.288113       12.22766 
1 1 1 20 20 4  o 98.76071 2.969868 97.97889       5.858896      100.6710       7.955913      95.28677       8.600604      100.1403 3.972383 97.38110 4.415952 2.759209       5.939735 
1 1 1 20 20 5  o 199.0853 2.845117 398.2916       11.32106      376.4004       15.84098      420.1827       16.18104      193.5961 4.091246 204.5744 3.954804 -10.97836      5.690235 
1 1 1 20 20 6  o 61.88856 4.533582 40.27548       5.438785      55.88976       8.260548      24.66829       7.075308      74.45100 5.547640 49.32611 7.171970 25.12489       9.067164 
1 1 1 20 20 7  o 27.97526 6.914672 5.720040       5.275840      11.75322       7.112856      -0.3133482     7.792970      33.53839 9.919882 22.41212 9.635699 11.12627       13.82934 
1 1 1 20 20 8  o 26.26118 6.732601 3.902152       5.184450      11.40607       7.495420      -3.603186      7.169532      33.21443 10.25778 19.30793 8.722932 13.90650       13.46520 
1 1 1 20 20 9  o 211.3338 2.792032 448.7333       11.81698      456.0304       18.12220      441.4363       15.16795      212.9733 4.254570 209.6943 3.616682 3.278976       5.584063 
1 1 1 20 20 10 o 154.7693 2.787406 240.8736       8.671450      256.0345       13.41099      225.7127       10.98809      159.5970 4.201518 149.9416 3.664121 9.655365       5.574813 
1 1 1 20 20 11 o 114.3752 3.582861 131.9846       8.069265      122.4913       13.33306      141.4778       9.089437      110.0683 6.056724 118.6822 3.829318 -8.613899      7.165722 
1 1 1 20 20 12 o 97.98318 3.278787 96.77451       6.405112      93.51564       9.748297      99.96254       8.310139      96.28149 5.062394 99.68487 4.168205 -3.403381      6.557573 
1 1 1 20 20 13 o 116.5228 3.068999 136.7312       7.169532      141.7612       11.05185      131.7012       9.146112      118.6080 4.658981 114.4376 3.996113 4.170357       6.137999 
1 1 1 20 20 14 o 80.73374 3.705632 65.82934       5.949578      62.19498       9.046929      69.47079       7.729208      78.42269 5.768056 83.04479 4.653639 -4.622101      7.411263 
1 1 1 20 20 15 f 188.2994 2.834996 356.7763       10.69054      362.5148       16.30856      351.0379       13.82190      189.7279 4.297882 186.8710 3.698246 2.856918       5.669992 
1 1 1 20 20 16 o 58.24932 4.495731 34.92667       5.330391      42.82591       8.664365      27.02743       6.216664      64.87654 6.677580 51.62210 6.021321 13.25444       8.991462 
1 1 1 20 20 17 o 88.84042 3.609753 79.84251       6.365439      76.22942       10.16628      83.38477       7.665448      86.69760 5.863070 90.98324 4.212561 -4.285637      7.219506 
1 1 1 20 20 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 20 19 o 43.36383 7.534240 18.51184       7.722124      8.728126       13.81481      28.29556       6.888985      34.17316 13.56843 52.55451 6.554134 -18.38135      15.06848 
1 1 1 20 20 20 o 124.0097 3.847326 156.3553       9.620775      163.1564       16.54943      149.5542       9.819141      126.2649 6.553458 121.7546 4.032351 4.510330       7.694652 
1 1 1 20 20 21 o 48.77857 8.648859 25.51843       9.734127      24.50535       18.43391      26.52443       6.266964      46.62909 16.16646 50.92805 6.152762 -4.298969      17.29772 
1 1 1 20 20 22 o 53.07224 6.732089 30.36424       6.799720      27.59420       12.04368      33.13429       6.310889      49.17037 12.27234 56.97412 5.538382 -7.803753      13.46418 
1 1 1 20 20 23 o 42.36178 6.912575 18.18596       6.811764      5.715081       11.76738      30.65471       6.860647      30.16088 12.31297 54.56268 6.286941 -24.40180      13.82515 
1 1 1 20 20 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 20 25 o 36.67461 6.630146 14.16195       5.460746      9.245295       9.209873      19.07861       5.873065      30.62950 11.33949 42.71972 6.873951 -12.09022      13.26029 
1 1 1 20 20 26 o 27.85155 6.215200 6.947078       4.561721      0.5249628      7.059014      13.36848       5.778841      21.16606 9.136319 34.53704 8.428674 -13.37098      12.43040 
1 1 1 20 20 27 o 42.56089 5.861113 20.22630       4.790551      15.55052       7.502505      24.90208       5.958079      36.41816 9.999846 48.70362 6.116671 -12.28546      11.72223 
1 1 1 20 20 28 o 71.24667 4.073240 53.37476       5.678241      47.61504       9.011506      59.13447       6.910948      66.76541 6.748635 75.72794 4.563010 -8.962532      8.146480 
1 1 1 20 20 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 20 30 o 59.19426 4.662183 38.32016       5.530883      39.99210       8.310139      36.65530       7.297054      60.24611 6.896827 58.14241 6.275156 2.103699       9.324366 
1 1 1 20 20 31 o 31.07085 6.790130 12.42624       4.699161      15.10419       7.056180      9.741212       6.207455      34.17517 9.808028 27.96654 9.392873 6.208632       13.58026 
1 1 1 20 20 32 o 41.50699 5.892278 21.62195       4.774965      14.81373       6.850729      28.43725       6.654488      33.07623 9.720242 49.93775 6.662783 -16.86152      11.78456 
1 1 1 20 20 33 o 18.99507 5.991659 1.389274       4.619106      0.1128564      6.283259      2.665196       6.772799      17.92200 8.127676 20.06814 8.805723 -2.146141      11.98332 
1 1 1 20 20 34 o 42.08747 6.336848 25.09336       5.187992      21.86282       7.034218      28.33099       7.630026      38.93220 9.173769 45.24273 8.744399 -6.310532      12.67370 
1 1 1 20 21 0  o 43.04805 8.493546 20.65845       6.514214      20.65845       6.514214      20.65845       6.514214      43.04805 8.493546 43.04805 8.493546 0.000000       0.000000 
1 1 1 20 21 1  f 76.30650 3.371337 58.67398       5.140526      62.60588       7.346645      54.74207       7.190785      78.87754 4.656994 73.73547 4.876070 5.142075       6.742674 
1 1 1 20 21 2  o 96.16489 2.903645 92.94887       5.584017      90.32761       7.885069      95.57014       7.906322      94.80261 4.158677 97.52715 4.053395 -2.724541      5.807289 
1 1 1 20 21 3  o 82.81321 3.207117 69.32909       5.290718      59.79333       7.297054      78.85069       7.665448      77.07234 4.733899 88.55408 4.328117 -11.48174      6.414234 
1 1 1 20 21 4  o 34.08066 6.273331 12.32706       4.323681      13.08510       6.124566      11.56902       6.105437      35.09260 8.747227 33.06871 8.994708 2.023884       12.54666 
1 1 1 20 21 5  o 40.25327 5.582891 17.03118       4.382482      21.26064       6.221623      12.80172       6.174158      45.79423 6.793022 34.71231 8.861689 11.08192       11.16578 
1 1 1 20 21 6  o 64.33418 3.952195 41.77740       5.079599      42.62046       6.881900      40.93435       7.474166      65.01398 5.292632 63.65439 5.870896 1.359585       7.904389 
1 1 1 20 21 7  o 23.69421 6.164393 2.248626       4.471748      9.061099       6.162822      -4.561012      6.480917      29.78984 9.321820 17.59858 8.068622 12.19126       12.32879 
1 1 1 20 21 8  o 34.29717 6.538376 12.48292       4.592185      11.89491       6.224457      13.06385       6.752962      33.51609 9.066606 35.07825 9.423274 -1.562164      13.07675 
1 1 1 20 21 9  o 160.6112 2.736444 259.2934       8.770633      269.4951       12.05785      249.0917       12.75213      163.8086 3.680470 157.4139 4.050510 6.394684       5.472887 
1 1 1 20 21 10 o 132.7399 3.030329 177.3963       8.055097      183.2765       11.90199      171.5162       10.85348      134.9149 4.410925 130.5648 4.156359 4.350128       6.060658 
1 1 1 20 21 11 o 44.02544 6.183789 21.35982       5.528049      6.863481       8.019674      35.84766       7.608772      28.60398 10.58308 59.44691 6.399636 -30.84293      12.36758 
1 1 1 20 21 12 o 95.46724 3.752736 92.02789       7.162447      89.40662       10.10252      94.64915       10.15920      94.09692 5.368147 96.83756 5.245484 -2.740639      7.505472 
1 1 1 20 21 13 o 126.6159 3.085614 161.4562       7.792970      156.9221       11.75322      166.0611       10.24421      124.7499 4.710711 128.4819 3.986637 -3.731995      6.171229 
1 1 1 20 21 14 o 82.82883 3.837943 69.54871       6.406529      75.52096       10.06710      63.55521       7.920490      86.32539 5.830903 79.33225 4.991974 6.993141       7.675886 
1 1 1 20 21 15 o 108.7870 3.409116 119.5158       7.438744      123.9082       11.54776      115.0526       9.386987      110.7191 5.214894 106.8549 4.392400 3.864197       6.818233 
1 1 1 20 21 16 o 26.17231 7.452563 3.787383       6.024674      3.584058       9.301972      3.990001       7.658363      26.91160 10.96043 25.43301 10.10107 1.478584       14.90513 
1 1 1 20 21 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 21 18 o 63.31638 5.319629 42.08204       6.401570      30.47760       9.627860      53.68648       8.444746      54.03606 8.908735 72.59669 5.816206 -18.56062      10.63926 
1 1 1 20 21 19 o 76.52052 4.172984 59.75082       6.412906      63.56938       9.833311      55.92518       8.232210      78.88725 6.232509 74.15380 5.550767 4.733452       8.345968 
1 1 1 20 21 20 o 22.14045 6.678301 0.6501462      5.231208      2.294675       8.069265      -0.9946662     6.659447      24.31840 10.09510 19.96249 8.745724 4.355917       13.35660 
1 1 1 20 21 21 o 38.64918 7.396260 17.37832       6.308763      27.08411       10.52051      7.672533       6.965498      49.19633 10.97456 28.10203 9.918557 21.09430       14.79252 
1 1 1 20 21 22 o 68.72333 4.310001 48.74857       5.779550      42.27332       9.089437      55.23090       7.148279      63.79016 7.124482 73.65649 4.852443 -9.866333      8.620003 
1 1 1 20 21 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 21 24 o 64.88735 5.122538 44.39159       6.787676      49.28699       11.84531      39.49619       6.630400      67.77130 8.739182 62.00341 5.346803 5.767895       10.24508 
1 1 1 20 21 25 o 65.15588 7.192142 48.22431       9.273635      55.16005       17.34290      41.29565       6.582225      67.02527 13.41134 63.28650 5.200339 3.738766       14.38428 
1 1 1 20 21 26 o 87.03933 4.183675 0.000000       0.000000      ?              ?             77.50462       7.282885      ?        ?        87.03933 4.183675 ?              ?        
1 1 1 20 21 27 o 33.77473 7.658844 12.66003       6.802555      10.86057       12.23496      14.45242       5.946036      32.05679 12.75615 35.49268 8.480103 -3.435886      15.31769 
1 1 1 20 21 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 21 29 o 23.70418 6.736161 5.379274       4.915238      7.275800       7.856731      3.482041       5.907071      26.08739 10.27193 21.32098 8.717278 4.766409       13.47232 
1 1 1 20 21 30 o 71.84648 4.126694 56.28649       5.936826      60.00587       8.735210      52.56004       8.040927      74.17229 5.888459 69.52068 5.783120 4.651611       8.253388 
1 1 1 20 21 31 o 36.95995 5.833481 17.35707       4.815347      6.428492       7.019340      28.28139       6.594978      23.98344 9.618395 49.93645 6.603371 -25.95300      11.66696 
1 1 1 20 21 32 o 20.64858 6.244509 3.600352       4.587225      4.385316       6.706913      2.816096       6.260589      21.41458 9.062428 19.88258 8.593485 1.532001       12.48902 
1 1 1 20 21 33 o 21.21193 6.262959 4.750877       4.648860      9.748297       7.044137      -0.2478164     6.068598      25.33378 9.781909 17.09007 7.823868 8.243713       12.52592 
1 1 1 20 22 0  o 27.34791 10.99161 10.51342       5.823474      10.51342       5.823474      10.51342       5.823474      27.34791 10.99161 27.34791 10.99161 0.000000       0.000000 
1 1 1 20 22 1  o 50.64629 4.607320 26.09937       4.643901      29.74081       6.686368      22.45084       6.446203      54.23332 6.164446 47.05925 6.849029 7.174072       9.214640 
1 1 1 20 22 2  o 53.17890 4.456405 28.63562       4.736000      27.04160       6.641027      30.22255       6.755087      51.68878 6.424051 54.66902 6.178168 -2.980236      8.912810 
1 1 1 20 22 3  o 60.15493 4.106700 36.59862       4.931533      33.75064       6.939993      39.45368       7.007296      57.78767 6.004735 62.52218 5.603848 -4.734512      8.213401 
1 1 1 20 22 4  o 87.33961 3.198050 76.79617       5.578349      71.90786       7.877984      81.75533       7.899237      84.52161 4.660337 90.15762 4.380793 -5.636009      6.396100 
1 1 1 20 22 5  o 53.50993 4.641407 29.55661       4.801178      21.56527       6.903862      37.54795       6.673616      46.03123 7.499107 60.98862 5.471198 -14.95739      9.282813 
1 1 1 20 22 6  o 99.59200 2.989641 99.82085       5.954537      95.99522       8.324308      103.6465       8.515590      97.67818 4.261089 101.5058 4.194631 -3.827652      5.979282 
1 1 1 20 22 7  o 21.35682 6.177385 0.4234416      4.498669      -4.507170      6.176282      5.353770       6.542552      17.05482 7.843341 25.65883 9.545803 -8.604010      12.35477 
1 1 1 20 22 8  o 85.34781 3.307834 73.53729       5.637151      79.48829       8.033843      67.56504       7.906322      88.83508 4.521774 81.86053 4.829142 6.974541       6.615667 
1 1 1 20 22 9  o 26.12828 6.636609 5.338184       4.666572      1.214995       6.599937      9.457831       6.599228      21.81628 9.097675 30.44028 9.664918 -8.623999      13.27322 
1 1 1 20 22 10 f 107.3118 3.386027 116.1152       7.247461      110.3059       10.58427      121.9954       9.904156      104.5602 5.061328 110.0633 4.499298 -5.503151      6.772055 
1 1 1 20 22 11 o 75.72949 3.922782 58.03637       5.937534      58.97861       8.104689      57.08704       8.678535      76.38456 5.305188 75.07442 5.779954 1.310143       7.845565 
1 1 1 20 22 12 o 96.79949 3.423841 94.57832       6.619773      96.70367       8.912323      92.45296       9.790804      97.93913 4.549930 95.65985 5.117509 2.279282       6.847683 
1 1 1 20 22 13 o 93.06889 3.668655 87.70633       6.775633      96.34944       9.188620      79.13406       9.960832      97.73245 4.700905 88.40533 5.633615 9.327126       7.337311 
1 1 1 20 22 14 o 77.40934 3.837906 61.23857       5.970123      72.61631       9.224042      49.84667       7.587519      84.66546 5.447347 70.15322 5.407819 14.51224       7.675812 
1 1 1 20 22 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 22 16 o 57.72820 5.604366 34.84166       6.609147      41.36650       10.89599      28.32390       7.481250      62.98977 8.649014 52.46663 7.129532 10.52314       11.20873 
1 1 1 20 22 17 o 63.44286 4.656694 41.25315       5.952412      43.97360       9.564099      38.52561       7.091603      65.36932 7.315435 61.51641 5.763992 3.852901       9.313388 
1 1 1 20 22 18 o 95.69083 3.698529 93.01972       7.091603      96.91621       10.60552      89.19408       9.415324      97.61850 5.432128 93.76317 5.020801 3.855331       7.397058 
1 1 1 20 22 19 o 173.4941 2.937512 304.4926       10.21588      314.8360       15.50801      294.0783       13.29764      176.3369 4.397269 170.6514 3.896142 5.685501       5.875023 
1 1 1 20 22 20 f 23.89755 6.868012 2.766504       5.265214      6.291052       8.040927      -0.7573350     6.800429      27.52652 10.49735 20.26858 8.859115 7.257938       13.73602 
1 1 1 20 22 21 o 37.93433 7.005077 16.28022       5.517423      21.78489       8.373900      10.77555       7.183701      44.27808 9.720617 31.59059 10.08930 12.68748       14.01015 
1 1 1 20 22 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 22 23 o 24.13553 7.087390 2.563179       5.690285      -0.2813971     7.622942      5.408321       8.451830      21.52287 9.393688 26.74820 10.61522 -5.225332      14.17478 
1 1 1 20 22 24 o 70.15509 4.356585 51.37692       6.114647      51.97202       9.089437      50.78183       8.182618      70.41810 6.453907 69.89207 5.853753 0.5260239      8.713170 
1 1 1 20 22 25 o 51.01973 6.238045 29.37241       6.005546      22.67754       9.082352      36.06728       7.856731      43.73610 10.50023 58.30335 6.737803 -14.56725      12.47609 
1 1 1 20 22 26 o 23.77259 7.365333 1.054176       6.888276      9.167366       11.69654      -7.059014      7.275800      30.67239 12.36820 16.87278 8.001265 13.79961       14.73067 
1 1 1 20 22 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 22 28 o 39.18023 8.198064 21.45900       7.389152      24.45576       13.02134      18.46225       6.976125      39.69722 13.60408 38.66324 9.152153 1.033981       16.39613 
1 1 1 20 22 29 o 38.95819 8.068131 21.86991       7.042011      26.62362       12.34123      17.11619       6.786260      41.15968 13.23204 36.75670 9.235368 4.402985       16.13626 
1 1 1 20 22 30 o 32.84416 6.952036 15.08294       5.100144      20.97017       8.501422      9.188620       5.637859      38.81263 10.63922 26.87569 8.951554 11.93694       13.90407 
1 1 1 20 22 31 o 21.86179 6.235023 3.304219       4.887609      -1.236248      8.111773      7.842561       5.453662      19.11841 8.867934 24.60517 8.767085 -5.486759      12.47005 
1 1 1 20 22 32 f 16.26962 5.427932 -2.722580      4.633983      -3.326890      7.360813      -2.118271      5.630774      16.94090 8.040338 15.59834 7.294022 1.342565       10.85586 
1 1 1 20 23 0  o 99.01485 4.259926 98.89986       8.402238      98.89986       8.402238      98.89986       8.402238      99.01485 4.259926 99.01485 4.259926 0.000000       0.000000 
1 1 1 20 23 1  o 22.61828 6.438112 2.326556       4.543301      4.423573       6.500045      0.2291841      6.349853      24.62831 9.424705 20.60824 8.773375 4.020069       12.87622 
1 1 1 20 23 2  o 134.0975 2.696212 180.7969       7.233293      178.6715       10.10961      182.8514       10.34340      133.3262 3.791304 134.8688 3.834613 -1.542587      5.392425 
1 1 1 20 23 3  o 26.05288 6.551716 5.236167       4.622647      10.04585       6.602770      0.4242917      6.471707      31.14920 9.629161 20.95656 8.887023 10.19264       13.10343 
1 1 1 20 23 4  o 142.4007 2.669155 203.7507       7.601687      206.3011       10.87473      201.2712       10.62678      143.2757 3.795038 141.5257 3.754362 1.749969       5.338309 
1 1 1 20 23 5  o 21.24079 6.281565 0.7190785      4.527715      -1.435323      6.420699      2.874189       6.385275      19.48522 8.561703 22.99636 9.193991 -3.511139      12.56313 
1 1 1 20 23 6  o 96.97701 3.109429 94.72000       6.028925      99.32494       8.643111      90.11507       8.409323      99.34250 4.350158 94.61150 4.444133 4.730995       6.218858 
1 1 1 20 23 7  o 42.91476 6.163377 19.59578       5.170990      13.36140       7.559181      25.83724       7.056180      35.43925 10.14532 50.39028 7.001529 -14.95103      12.32675 
1 1 1 20 23 8  o 62.55810 4.324821 39.70164       5.410447      39.51036       7.743378      39.88583       7.559181      62.39722 6.204906 62.71898 6.026231 -0.3217583     8.649643 
1 1 1 20 23 9  o 116.5434 3.300795 137.0146       7.672533      133.4015       11.68946      140.6277       9.946663      114.9133 5.086207 118.1734 4.208503 -3.260162      6.601591 
1 1 1 20 23 10 o 84.54274 3.694782 72.26208       6.247837      75.09589       8.976085      69.43536       8.692703      86.20213 5.206417 82.88335 5.243938 3.318779       7.389565 
1 1 1 20 23 11 o 175.0277 2.811105 308.4599       9.840395      322.6289       14.14070      294.2909       13.68729      179.0572 3.948654 170.9982 4.002173 8.059006       5.622211 
1 1 1 20 23 12 o 45.16421 6.636822 21.89824       5.924074      27.87049       8.551013      15.92599       8.196787      52.00403 8.221491 38.32439 10.42097 13.67964       13.27364 
1 1 1 20 23 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 23 14 o 89.69723 4.289616 82.25125       7.672533      86.99788       10.51342      77.43378       11.17229      92.41994 5.687855 86.97452 6.422735 5.445419       8.579232 
1 1 1 20 23 15 o 27.78573 7.389056 6.024674       5.720748      8.749379       7.757547      3.301385       8.409323      29.98862 10.47872 25.58285 10.42060 4.405769       14.77811 
1 1 1 20 23 16 o 150.6445 3.041035 229.3967       9.096521      217.1405       14.20446      241.7237       11.36357      146.3962 4.851376 154.8928 3.668204 -8.496567      6.082069 
1 1 1 20 23 17 o 108.9250 3.334986 120.2951       7.233293      116.8237       11.31397      123.7665       9.025676      107.1665 5.278692 110.6835 4.077247 -3.516983      6.669972 
1 1 1 20 23 18 o 38.85427 6.854916 16.76197       5.368648      19.31240       8.501422      14.21154       6.562388      41.69444 10.25278 36.01411 9.101647 5.680332       13.70983 
1 1 1 20 23 19 o 24.42647 6.910735 3.860354       5.147611      5.528049       8.033843      2.193367       6.438409      26.78300 10.42476 22.06994 9.075091 4.713055       13.82147 
1 1 1 20 23 20 o 106.2089 3.282525 115.1943       6.852146      102.1587       10.62678      128.3006       8.657280      99.86291 5.320683 112.5549 3.845804 -12.69199      6.565049 
1 1 1 20 23 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 23 22 o 33.68425 6.796933 12.16412       5.200744      7.707955       8.267632      16.62028       6.306637      28.58910 10.71185 38.77940 8.369552 -10.19030      13.59387 
1 1 1 20 23 23 o 30.32336 7.185232 10.01042       5.307721      14.26113       7.970083      5.752628       7.010130      35.10213 10.52539 25.54459 9.783984 9.557537       14.37046 
1 1 1 20 23 24 o 33.19366 7.440997 9.819141       6.982501      20.38924       8.161365      -0.7566265     11.33523      41.62651 9.928290 24.76081 11.08615 16.86570       14.88199 
1 1 1 20 23 25 o 49.76566 6.725243 28.91191       6.578683      21.14020       8.593520      36.69072       9.960832      42.06576 10.28603 57.46555 8.666785 -15.39979      13.45049 
1 1 1 20 23 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 23 27 o 40.62132 7.485830 21.50859       6.601354      14.63661       10.15211      28.38766       8.437660      32.77826 11.93333 48.46436 9.041367 -15.68610      14.97166 
1 1 1 20 23 28 o 23.99877 7.893981 2.522797       9.592437      4.544718       17.80339      0.5012296      7.141194      28.06717 13.06443 19.93036 8.864566 8.136812       15.78796 
1 1 1 20 23 29 o 32.72627 9.096038 21.94075       9.727042      44.28532       18.21429      -0.4084933     6.843644      46.64347 16.07963 18.80908 8.508642 27.83439       18.19208 
1 1 1 20 23 30 o 20.44454 6.653866 0.5735626      6.459663      0.4352728      11.12269      0.7119941      6.569473      22.08681 10.29834 18.80226 8.428514 3.284555       13.30773 
1 1 1 20 23 31 o 17.43202 5.892139 -2.309553      5.777424      -2.030423      10.24421      -2.588683      5.343143      19.85906 9.453704 15.00497 7.035388 4.854095       11.78428 
1 1 1 20 24 0  o 81.66091 5.103257 67.78467       8.267632      67.78467       8.267632      67.78467       8.267632      81.66091 5.103257 81.66091 5.103257 0.000000       0.000000 
1 1 1 20 24 1  o 89.64683 3.373670 81.18858       6.039551      73.82067       8.380984      88.62732       8.699788      85.53201 4.899326 93.76164 4.639311 -8.229630      6.747341 
1 1 1 20 24 2  o 98.76106 3.190675 98.33311       6.303096      98.26226       8.820225      98.33311       9.004422      98.75108 4.465888 98.77104 4.558230 -0.1996613E-01 6.381349 
1 1 1 20 24 3  o 125.7317 2.915013 159.1891       7.332476      153.0964       10.24421      165.2818       10.48509      123.3185 4.153559 128.1449 4.091105 -4.826439      5.830026 
1 1 1 20 24 4  o 43.73211 6.082440 20.25464       5.190826      15.66387       7.346645      24.84540       7.339560      38.15489 9.622657 49.30933 7.442365 -11.15444      12.16488 
1 1 1 20 24 5  o 113.9566 3.049794 130.7802       6.950621      130.5677       9.882903      131.0636       9.776634      113.8433 4.340574 114.0699 4.285370 -0.2266388     6.099588 
1 1 1 20 24 6  f 110.1335 3.085605 122.2788       6.797595      116.0444       9.422408      128.5132       9.797889      107.3192 4.389899 112.9478 4.337351 -5.628632      6.171209 
1 1 1 20 24 7  o 38.05027 7.010566 15.58594       5.397694      15.57177       7.311223      15.59302       7.941744      38.04946 9.601451 38.05108 10.21784 -0.1621246E-02 14.02113 
1 1 1 20 24 8  o 160.9101 2.824642 260.7811       9.096521      248.2415       12.57502      273.2498       13.13470      157.0473 4.003577 164.7729 3.985697 -7.725571      5.649284 
1 1 1 20 24 9  o 20.81170 6.650347 -4.799053      6.048761      -8.487252      9.160281      -1.112269      7.906322      19.74695 9.250326 21.87646 9.557192 -2.129511      13.30069 
1 1 1 20 24 10 o 181.3832 3.145191 332.4764       11.39190      316.6071       16.20229      348.3457       16.03226      176.9991 4.576942 185.7673 4.315148 -8.768173      6.290381 
1 1 1 20 24 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 24 12 o 98.62994 3.798469 98.89986       7.495420      95.14508       10.46383      102.6547       10.72596      96.74636 5.407869 100.5135 5.335580 -3.767174      7.596937 
1 1 1 20 24 13 o 145.3938 2.963168 213.5982       8.614774      202.1213       11.97283      225.0043       12.39082      141.4829 4.231195 149.3046 4.149510 -7.821732      5.926335 
1 1 1 20 24 14 f 95.17509 3.539301 91.88619       6.730292      97.12873       9.557014      86.71449       9.479085      97.90520 4.880749 92.44498 5.126879 5.460220       7.078601 
1 1 1 20 24 15 o 47.59515 6.070143 24.49826       5.545053      17.49876       7.800055      31.49777       7.885069      39.91569 9.824058 55.27460 7.132632 -15.35891      12.14029 
1 1 1 20 24 16 o 59.69094 4.786642 36.71197       5.713664      36.78282       7.948828      36.64821       8.210957      59.77681 6.648757 59.60508 6.887799 0.1717300      9.573283 
1 1 1 20 24 17 o 40.51444 6.744726 18.44100       5.528049      23.16637       9.245295      13.71563       6.065764      45.60461 10.36826 35.42427 8.629286 10.18034       13.48945 
1 1 1 20 24 18 o 90.64114 3.652607 83.95154       6.575850      80.40928       10.45675      87.42295       7.970083      88.45661 5.910665 92.82567 4.293038 -4.369057      7.305213 
1 1 1 20 24 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 24 20 o 104.0330 3.471594 110.8019       7.190785      105.9844       11.01642      115.6193       9.231127      101.5066 5.426457 106.5594 4.331446 -5.052795      6.943188 
1 1 1 20 24 21 o 37.05390 7.191691 16.18104       5.876608      24.69663       9.266549      7.658363       7.233293      46.36868 10.26492 27.73913 10.07537 18.62954       14.38338 
1 1 1 20 24 22 o 24.63522 6.729817 -0.2723997     5.938951      -11.05185      9.464915      10.50634       7.176617      18.55288 8.897247 30.71756 10.09954 -12.16468      13.45963 
1 1 1 20 24 23 o 20.22021 6.454880 -3.469288      5.751920      4.699161       9.273635      -11.63986      6.809639      26.04527 10.81776 14.39515 7.045422 11.65011       12.90976 
1 1 1 20 24 24 o 21.15891 6.742545 -1.821430      6.037426      -2.036090      9.344479      -1.607477      7.651280      22.05393 9.961285 20.26389 9.089581 1.790035       13.48509 
1 1 1 20 24 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 24 26 o 35.34508 7.625051 16.28022       6.083476      17.49167       10.14503      15.06169       6.713998      35.75250 12.00793 34.93766 9.400806 0.8148422      15.25010 
1 1 1 20 24 27 o 22.71625 6.623815 4.639651       4.895402      5.528049       7.764632      3.751961       5.968707      24.10807 9.948489 21.32442 8.747986 2.783657       13.24763 
1 1 1 20 24 28 o 30.58175 7.207446 12.77339       5.209246      12.31289       7.821308      13.24096       6.886151      29.82896 10.51203 31.33455 9.863380 -1.505583      14.41489 
1 1 1 20 24 29 o 37.63604 6.808233 19.51785       5.194368      16.67695       7.396237      22.36582       7.297054      34.12862 10.12037 41.14346 9.109679 -7.014835      13.61647 
1 1 1 20 24 30 o 19.14519 6.055047 0.8473083E-01  5.107229      -4.797635      7.828392      4.966955       6.558846      16.89023 8.097895 21.40014 9.004358 -4.509912      12.11009 
1 1 1 20 25 0  o 75.38451 5.887924 58.24891       8.770633      58.24891       8.770633      58.24891       8.770633      75.38451 5.887924 75.38451 5.887924 0.000000       0.000000 
1 1 1 20 25 1  o 52.14110 5.444528 27.90592       5.643527      30.76806       7.849646      25.04377       8.111773      54.90594 7.148266 49.37626 8.214246 5.529690       10.88906 
1 1 1 20 25 2  o 32.37453 7.353461 10.68345       5.505378      7.459997       7.502505      13.89982       8.055097      28.67829 10.27641 36.07077 10.52089 -7.392488      14.70692 
1 1 1 20 25 3  o 66.03199 4.583559 44.51202       6.027507      39.36866       8.465999      49.64830       8.579351      62.14769 6.811194 69.91630 6.135445 -7.768612      9.167117 
1 1 1 20 25 4  o 49.29300 6.327350 25.90808       6.042386      32.24873       8.742295      19.56744       8.338477      56.05831 7.797502 42.52770 9.966965 13.53061       12.65470 
1 1 1 20 25 5  o 50.83588 6.249287 27.40292       6.149361      32.48960       8.770633      22.31623       8.621859      56.22430 7.799681 45.44746 9.766233 10.77684       12.49857 
1 1 1 20 25 6  o 68.43147 5.102936 48.25265       6.925116      54.86250       9.734127      41.64280       9.854564      73.27170 6.642488 63.59124 7.748366 9.680454       10.20587 
1 1 1 20 25 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 25 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 25 9  o 34.66855 8.260370 12.43333       6.842227      12.41208       10.60552      12.44750       8.650196      35.04133 12.25139 34.29577 11.08324 0.7455635      16.52074 
1 1 1 20 25 10 f 52.24609 5.904131 28.36641       6.172740      30.22255       9.004422      26.51026       8.444746      53.95863 8.343822 50.53356 8.355580 3.425064       11.80826 
1 1 1 20 25 11 o 31.65926 7.379433 9.982086       5.638568      14.32489       8.055097      5.639985       7.892153      36.29688 10.49968 27.02163 10.37212 9.275251       14.75887 
1 1 1 20 25 12 o 63.74590 4.708592 42.40084       5.853937      53.70064       8.395153      31.09395       8.161365      72.59014 5.782572 54.90165 7.432713 17.68849       9.417185 
1 1 1 20 25 13 o 56.95905 5.457973 34.88417       5.785217      46.07062       8.196787      23.69063       8.168448      67.10555 6.107384 46.81256 9.047527 20.29298       10.91595 
1 1 1 20 25 14 o 77.50768 3.958588 61.34484       6.138027      59.73665       8.536844      62.94594       8.820225      76.49900 5.579710 78.51637 5.616807 -2.017365      7.917176 
1 1 1 20 25 15 o 69.09074 4.223833 48.96111       5.831267      50.80308       8.175533      47.12621       8.317224      70.43625 5.803499 67.74523 6.138605 2.691017       8.447666 
1 1 1 20 25 16 o 80.13234 3.786352 65.63806       6.065764      65.75850       8.402238      65.51054       8.756464      80.24633 5.235279 80.01834 5.471536 0.2279892      7.572704 
1 1 1 20 25 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 25 18 o 31.63579 11.71602 0.000000       0.000000      ?              ?             10.14503       9.833311      ?        ?        31.63579 11.71602 ?              ?        
1 1 1 20 25 19 o 76.90515 4.823302 61.83367       7.318307      58.94318       12.09327      64.73124       8.253463      74.40030 8.127167 79.41000 5.196741 -5.009697      9.646604 
1 1 1 20 25 20 o 135.1415 3.587064 188.0939       9.691620      189.6525       15.95433      186.4645       11.00934      135.0188 5.908188 135.2641 4.069571 -0.2452850     7.174127 
1 1 1 20 25 21 o 85.97507 4.333942 77.43378       7.389152      76.37110       12.60336      78.49645       7.715039      84.43311 7.463516 87.51703 4.407736 -3.083916      8.667884 
1 1 1 20 25 22 o 21.05001 6.615215 -2.918821      5.950287      8.437660       10.04585      -14.27530      6.375357      29.22824 11.58135 12.87179 6.396604 16.35645       13.23043 
1 1 1 20 25 23 o 39.64393 6.893348 18.07261       6.123857      9.358648       9.564099      26.79365       7.651280      29.76069 11.41962 49.52717 7.724325 -19.76648      13.78670 
1 1 1 20 25 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 25 25 o 96.56976 4.309698 101.0961       8.281801      90.46929       11.71779      111.6520       11.71071      91.08362 6.432437 102.0559 5.737400 -10.97227      8.619396 
1 1 1 20 25 26 o 48.38990 6.335112 28.54352       6.035301      31.34899       9.875818      25.73805       6.937160      49.17496 10.36562 47.60485 7.286190 1.570107       12.67022 
1 1 1 20 25 27 o 33.84209 7.331505 16.16687       5.615897      18.78814       9.514507      13.54560       5.970123      35.29093 11.62880 32.39325 8.931676 2.897675       14.66301 
1 1 1 20 25 28 o 34.60532 7.023673 17.55543       5.265214      23.38599       8.791886      11.71779       5.794427      39.78547 10.78121 29.42516 9.005190 10.36030       14.04735 
1 1 1 20 25 29 o 20.87901 6.296750 4.082099       4.830933      3.163237       7.863815      5.001670       5.612355      20.77911 9.270403 20.97891 8.523842 -0.1997986     12.59350 
1 1 1 20 26 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 26 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 26 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 26 3  o 48.00492 7.200809 25.55386       6.939993      14.48784       9.691620      36.61987       9.932493      36.67926 11.71930 59.33059 8.370467 -22.65133      14.40162 
1 1 1 20 26 4  o 157.9793 3.108365 252.2797       9.819141      252.6339       13.91399      251.9963       13.86440      158.0771 4.401015 157.8815 4.390762 0.1955872      6.216729 
1 1 1 20 26 5  o 23.64598 6.666630 -2.252877      5.790885      -14.26822      8.125941      9.762465       8.253463      15.96628 7.789024 31.32568 10.82160 -15.35939      13.33326 
1 1 1 20 26 6  o 84.94299 4.128020 73.53729       7.008713      74.88335       9.649114      72.12038       10.16628      85.79736 5.623199 84.08862 6.044982 1.708740       8.256040 
1 1 1 20 26 7  o 99.41948 3.574152 100.4585       7.105771      91.24860       9.677451      109.5975       10.41424      94.85602 5.101127 103.9829 5.007669 -9.126915      7.148304 
1 1 1 20 26 8  o 74.66479 4.802056 57.64672       6.954871      46.62321       10.57718      68.67023       9.032760      67.14309 7.876600 82.18649 5.495283 -15.04340      9.604112 
1 1 1 20 26 9  o 26.85708 7.190389 5.337476       5.483417      8.940661       7.736294      1.730748       7.778800      30.13494 10.47062 23.57922 9.857631 6.555723       14.38078 
1 1 1 20 26 10 o 21.35578 6.667848 -2.866396      5.797969      1.488457       7.679617      -7.219123      8.685618      23.22711 9.756813 19.48445 9.090950 3.742661       13.33570 
1 1 1 20 26 11 o 94.51741 3.594511 90.89436       6.789093      86.07689       9.521592      95.71184       9.684536      91.98236 5.175771 97.05245 4.989331 -5.070091      7.189021 
1 1 1 20 26 12 o 98.63819 3.458513 98.89986       6.822391      97.19958       9.542846      100.6002       9.755382      97.79415 4.879047 99.48223 4.903077 -1.688080      6.917027 
1 1 1 20 26 13 o 53.19424 5.224294 29.41492       5.558513      28.96859       7.693786      29.86833       8.026759      52.81599 7.283577 53.57248 7.491494 -0.7564926     10.44859 
1 1 1 20 26 14 o 78.85683 4.214479 64.02278       6.681408      58.88651       8.473083      69.16615       10.33631      75.81554 5.587959 81.89811 6.310471 -6.082565      8.428958 
1 1 1 20 26 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 26 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 26 17 o 55.25734 6.052939 33.23347       6.491544      27.70755       8.912323      38.75940       9.436578      49.99425 9.261300 60.52043 7.796193 -10.52618      12.10588 
1 1 1 20 26 18 o 97.37226 3.790813 97.90804       7.389152      100.0334       10.83931      95.78268       10.03876      98.34231 5.511012 96.40221 5.206707 1.940094       7.581626 
1 1 1 20 26 19 o 36.42868 7.198345 15.35215       5.540801      18.51184       7.715039      12.19245       7.955913      40.12871 9.705052 32.72865 10.63375 7.400055       14.39669 
1 1 1 20 26 20 o 48.76971 6.354559 27.04160       5.892194      22.72713       9.493254      31.36316       6.981084      43.18002 10.96766 54.35941 6.421229 -11.17939      12.70912 
1 1 1 20 26 21 o 27.98808 7.239747 7.467082       5.645652      4.383191       9.075267      10.54176       6.715415      25.71376 10.69208 30.26240 9.763971 -4.548639      14.47949 
1 1 1 20 26 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 26 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 26 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 26 25 o 78.28329 4.601832 67.84134       7.042719      62.54212       11.37774      73.11222       8.303054      73.67415 7.721662 82.89243 5.008331 -9.218285      9.203665 
1 1 1 20 26 26 o 22.67971 6.732005 3.420405       5.584725      11.87365       8.742295      -5.034258      6.955580      28.94349 10.97245 16.41594 7.802875 12.52755       13.46401 
1 1 1 20 26 27 o 20.15958 6.419149 0.9975002      5.584725      -1.533798      8.529759      3.528090       7.204955      19.23629 8.988281 21.08286 9.166935 -1.846571      12.83830 
1 1 1 20 26 28 o 23.22799 6.539815 5.591102       5.180908      -1.703827      7.438744      12.88674       7.212039      17.73894 8.314378 28.71704 10.09692 -10.97811      13.07963 
1 1 1 20 27 0  o 14.49639 9.768718 -2.472497      7.870899      -2.472497      7.870899      -2.472497      7.870899      14.49639 9.768718 14.49639 9.768718 0.000000       0.000000 
1 1 1 20 27 1  o 21.26198 6.433637 -3.509670      5.469956      5.392026       7.899237      -12.41208      7.566265      26.79224 10.35582 15.73171 7.636998 11.06053       12.86727 
1 1 1 20 27 2  o 29.97125 7.341560 8.168448       5.668323      13.04968       7.977167      3.280840       8.055097      34.79977 10.54932 25.14273 10.21302 9.657038       14.68312 
1 1 1 20 27 3  o 136.5891 3.096690 188.6607       8.458915      181.1511       11.78155      196.1703       12.14286      133.8624 4.400620 139.3157 4.358038 -5.453278      6.193379 
1 1 1 20 27 4  o 49.11901 6.003641 25.47593       5.771049      25.67429       8.487252      25.27047       7.821308      48.85185 9.026177 49.38618 7.918520 -0.5343246     12.00728 
1 1 1 20 27 5  f 74.19424 4.254219 56.27941       6.305221      52.68756       8.876901      59.87834       8.954830      71.77821 6.183562 76.61027 5.844406 -4.832054      8.508438 
1 1 1 20 27 6  o 159.6857 3.082015 258.1598       9.819141      271.1245       13.60936      245.1243       14.16904      163.7935 4.154425 155.5778 4.553682 8.215714       6.164031 
1 1 1 20 27 7  o 33.85108 7.478652 12.19954       5.770339      16.16687       8.331393      8.232210       7.984251      38.23012 10.55560 29.47204 10.59719 8.758080       14.95730 
1 1 1 20 27 8  o 80.23361 4.326060 66.32525       6.988877      75.73349       10.81097      56.90285       8.855647      85.90196 6.292624 74.56526 5.938186 11.33670       8.652120 
1 1 1 20 27 9  o 17.47764 5.815190 -7.800055      5.294260      -10.73304      7.622942      -4.867064      7.353730      16.36206 7.880019 18.59323 8.554008 -2.231173      11.63038 
1 1 1 20 27 10 o 60.81613 5.020691 38.32724       6.106854      38.17138       8.536844      38.49018       8.735210      60.71047 7.030784 60.92179 7.169201 -0.2113228     10.04138 
1 1 1 20 27 11 o 101.7702 4.051775 106.1969       8.232210      111.9354       11.54068      100.5293       11.74613      104.5945 5.516866 98.94596 5.935629 5.648575       8.103549 
1 1 1 20 27 12 o 64.16032 5.434908 43.22264       6.959122      45.29132       9.642029      41.14688       10.03876      65.83882 7.322450 62.48183 8.033344 3.356987       10.86982 
1 1 1 20 27 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 27 14 o 40.71927 8.658920 18.48351       8.458915      23.57727       9.167366      13.38974       14.22571      45.40846 10.32502 36.03008 13.90329 9.378387       17.31784 
1 1 1 20 27 15 o 16.21783 5.531630 -12.44750      5.554970      -18.25680      8.267632      -6.645278      7.424574      14.82223 7.354651 17.61344 8.264673 -2.791213      11.06326 
1 1 1 20 27 16 o 41.47079 6.724614 19.66662       5.497586      15.84807       7.750463      23.47809       7.800055      37.05138 10.15935 45.89020 8.813020 -8.838825      13.44923 
1 1 1 20 27 17 o 52.61492 5.919250 31.42692       5.804345      18.97234       7.934660      43.88150       8.473083      40.58456 9.859079 64.64529 6.553520 -24.06073      11.83850 
1 1 1 20 27 18 o 34.23077 7.155387 13.70146       5.602437      7.049803       7.594603      20.34674       8.239295      26.91396 10.21990 41.54758 10.01758 -14.63363      14.31077 
1 1 1 20 27 19 o 50.48353 6.124194 28.83399       5.979333      32.41167       8.303054      25.24922       8.607689      54.53067 7.613198 46.43639 9.594907 8.094273       12.24839 
1 1 1 20 27 20 o 117.0061 3.517750 142.2571       8.232210      142.9656       11.49817      141.5487       11.78155      117.3645 4.898487 116.6477 5.050057 0.7168198      7.035500 
1 1 1 20 27 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 27 22 o 21.06285 6.703003 -1.105893      6.182659      -3.602477      10.27963      1.391399       6.872690      21.44861 9.961859 20.67710 8.971196 0.7715054      13.40601 
1 1 1 20 27 23 o 24.32693 7.294418 5.224832       6.314431      11.60444       10.23004      -1.157610      7.403321      29.46072 11.68276 19.19314 8.737689 10.26758       14.58884 
1 1 1 20 27 24 o 34.94159 6.838582 15.58594       5.933992      4.446243       8.607689      26.72989       8.175533      23.66058 10.14808 46.22261 9.169588 -22.56203      13.67716 
1 1 1 20 27 25 o 52.82827 5.503159 33.61604       5.849687      38.29182       9.032760      28.93317       7.438744      56.24300 8.030120 49.41354 7.527030 6.829460       11.00632 
1 1 1 20 27 26 f 18.58893 5.984241 -0.4023298     5.039926      -2.747376      7.707955      1.942575       6.497211      17.83047 8.377384 19.34740 8.547747 -1.516932      11.96848 
1 1 1 20 27 27 o 25.84812 6.915226 10.37882       4.935784      12.34832       7.807138      8.409323       6.037426      27.45490 10.38047 24.24134 9.139321 3.213552       13.83045 
1 1 1 20 28 0  o 53.60669 7.812111 30.39967       8.069265      30.39967       8.069265      30.39967       8.069265      53.60669 7.812111 53.60669 7.812111 0.000000       0.000000 
1 1 1 20 28 1  o 27.70144 7.315572 6.585060       5.503253      8.579351       7.856731      4.590059       7.707955      29.67401 10.52786 25.72888 10.16044 3.945124       14.63114 
1 1 1 20 28 2  o 81.29816 4.099831 67.71382       6.649529      73.39561       9.443663      62.03912       9.365732      84.78274 5.569331 77.81358 6.018058 6.969162       8.199662 
1 1 1 20 28 3  o 26.59407 6.289736 -1.514670      5.781674      -19.31948      8.402238      16.28731       7.941744      14.86850 7.382615 38.31963 10.18529 -23.45113      12.57947 
1 1 1 20 28 4  o 60.04551 4.974092 37.59754       5.914864      30.76806       8.210957      44.41993       8.515590      54.39855 7.547036 65.69247 6.481405 -11.29392      9.948183 
1 1 1 20 28 5  o 28.39609 7.310304 7.502505       5.403362      8.536844       7.637110      6.465331       7.644195      29.43021 10.38589 27.36196 10.29055 2.068256       14.62061 
1 1 1 20 28 6  o 118.5654 3.305027 142.8239       7.842561      144.6659       11.24313      140.9819       10.92433      119.3150 4.711534 117.8158 4.636191 1.499207       6.610054 
1 1 1 20 28 7  o 52.26611 7.803765 30.81057       8.352647      14.77122       13.18429      46.84991       10.24421      37.54699 13.60604 66.98524 7.646620 -29.43825      15.60753 
1 1 1 20 28 8  o 40.85882 6.203207 16.86115       6.549637      -4.532674      9.181536      38.24931       9.344479      21.28959 9.702410 60.42804 7.731905 -39.13845      12.40641 
1 1 1 20 28 9  o 40.90308 7.691535 19.24155       6.798304      28.22472       10.04585      10.25130       9.160281      50.09310 10.37689 31.71306 11.35601 18.38004       15.38307 
1 1 1 20 28 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 28 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 28 12 o 25.71934 7.139218 4.985375       5.410447      2.850101       7.474166      7.119940       7.828392      23.65985 9.761589 27.77883 10.42042 -4.118979      14.27844 
1 1 1 20 28 13 o 73.64915 4.322257 56.45652       6.335684      62.49962       8.961915      50.41343       8.961915      77.75177 5.763158 69.54652 6.443108 8.205246       8.644514 
1 1 1 20 28 14 o 24.04175 7.010813 3.276590       5.455787      2.995334       7.622942      3.557845       7.807138      23.72264 9.827641 24.36086 10.00117 -0.6382217     14.02163 
1 1 1 20 28 15 o 39.82331 7.002553 18.41975       5.629357      14.08402       7.757547      22.76256       8.161365      34.89187 10.36828 44.75475 9.414971 -9.862873      14.00511 
1 1 1 20 28 16 o 21.39630 6.623632 -0.5246086E-01 5.447994      1.769004       7.587519      -1.873855      7.821308      22.44899 9.574698 20.34360 9.155062 2.105391       13.24726 
1 1 1 20 28 17 o 27.27793 7.359877 7.452912       5.604562      5.610230       7.615856      9.294888       8.225125      25.40199 10.07796 29.15388 10.72874 -3.751892      14.71975 
1 1 1 20 28 18 o 49.23499 6.802879 28.28139       6.519882      35.71305       9.280719      20.84974       9.160281      57.05732 8.132802 41.41264 10.90753 15.64468       13.60576 
1 1 1 20 28 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 28 20 o 56.57654 7.321246 42.79757       7.856731      50.95185       10.26547      34.63621       11.89491      65.40497 7.847620 47.74810 12.36193 17.65686       14.64249 
1 1 1 20 28 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 28 22 f 25.29307 7.188572 6.888276       5.581183      8.969000       8.678535      4.806845       7.024299      27.43051 10.79737 23.15563 9.493108 4.274878       14.37714 
1 1 1 20 28 23 o 56.04887 5.098081 36.45693       5.737042      38.77357       9.146112      34.14029       6.926533      56.89817 8.037264 55.19958 6.274081 1.698589       10.19616 
1 1 1 20 28 24 o 26.59416 7.069628 9.698705       5.217039      10.08127       8.388069      9.323226       6.210288      26.83416 10.59849 26.35415 9.358984 0.4800053      14.13926 
1 1 1 20 28 25 o 18.74919 6.065063 0.3042092      5.095893      2.359144       7.807138      -1.750584      6.554596      20.45425 9.178165 17.04413 7.931028 3.410114       12.13013 
1 1 1 20 28 26 o 24.78682 6.584401 9.252379       4.896819      17.66879       7.885069      0.8295971      5.812847      32.27587 10.58631 17.29777 7.832457 14.97809       13.16880 
1 1 1 20 29 0  o 50.51831 8.810732 28.18221       8.154280      28.18221       8.154280      28.18221       8.154280      50.51831 8.810732 50.51831 8.810732 0.000000       0.000000 
1 1 1 20 29 1  o 48.91315 6.161207 25.87974       5.851103      29.16696       8.154280      22.59253       8.395153      52.72092 7.733438 45.10537 9.593530 7.615555       12.32241 
1 1 1 20 29 2  o 48.94485 6.713496 26.19146       6.411489      24.05902       9.649114      28.31682       8.444746      46.09979 10.66839 51.78992 8.152886 -5.690125      13.42699 
1 1 1 20 29 3  o 34.42318 7.269501 11.57610       6.482334      -0.8798972     8.820225      24.03068       9.500339      22.77239 10.02026 46.07397 10.53456 -23.30158      14.53900 
1 1 1 20 29 4  o 34.18457 15.57070 -3.156861      23.57727      -3.156861      23.57727      ?              ?             34.18457 15.57070 ?        ?        ?              ?        
1 1 1 20 29 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 29 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 29 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 29 8  o 93.17738 3.837348 89.40662       7.155363      95.64099       10.46383      83.24309       9.762465      96.41025 5.426723 89.94453 5.426937 6.465721       7.674696 
1 1 1 20 29 9  o 25.02407 7.329676 3.053427       6.067182      -0.1696742     7.899237      6.276883       9.209873      21.95442 9.572399 28.09372 11.10251 -6.139301      14.65935 
1 1 1 20 29 10 o 39.53368 7.218256 17.93091       5.744836      18.16470       8.189702      17.69713       8.062181      39.78105 10.23608 39.28630 10.18016 0.4947472      14.43651 
1 1 1 20 29 11 o 39.82475 7.290112 18.41975       5.866689      17.08077       8.359732      19.75872       8.232210      38.26411 10.57728 41.38537 10.03514 -3.121258      14.58022 
1 1 1 20 29 12 o 23.20378 6.888533 2.268463       5.419656      3.358061       7.722124      1.178864       7.601687      24.10429 9.929721 22.30326 9.550299 1.801027       13.77707 
1 1 1 20 29 13 o 67.36631 4.771277 48.07554       6.405112      52.00744       8.976085      44.14363       9.139028      70.31941 6.382366 64.41321 7.094065 5.906204       9.542555 
1 1 1 20 29 14 o 25.64059 7.328382 5.243960       5.825599      5.436659       7.899237      5.051261       8.565183      25.53767 10.21935 25.74350 10.50646 -0.2058296     14.65676 
1 1 1 20 29 15 o 35.19590 8.262475 14.79956       7.091603      18.24972       9.061099      11.35648       10.90307      38.48130 11.13750 31.91049 12.20779 6.570816       16.52495 
1 1 1 20 29 16 o 24.81246 7.675069 1.613145       7.254546      1.312053       9.188620      1.914237       11.22188      23.71364 10.33193 25.91129 11.35245 -2.197653      15.35014 
1 1 1 20 29 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 29 18 o 40.23564 12.87646 29.36533       11.69654      29.36533       11.69654      ?              ?             40.23564 12.87646 ?        ?        ?              ?        
1 1 1 20 29 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 29 20 o 23.13613 6.749525 3.617355       5.382816      8.416408       7.367898      -1.182406      7.849646      26.52334 10.06778 19.74891 8.992447 6.774431       13.49905 
1 1 1 20 29 21 o 25.26832 6.967464 7.488335       5.086684      6.871982       7.040594      8.111773       7.339560      24.64756 9.717835 25.88907 9.987287 -1.241514      13.93493 
1 1 1 20 29 22 o 23.27868 6.612366 5.206412       4.993877      9.358648       6.811056      1.054885       7.304138      26.60222 9.765623 19.95514 8.917744 6.647076       13.22473 
1 1 1 20 29 23 o 37.05884 6.396738 18.24972       5.895027      9.224042       9.918325      27.27539       6.373232      25.76047 10.96578 48.35721 6.589744 -22.59674      12.79348 
1 1 1 20 29 24 o 26.56403 6.770378 9.812057       5.109354      5.960205       8.040927      13.66603       6.307346      22.55358 9.743352 30.57448 9.403145 -8.020895      13.54076 
1 1 1 20 30 0  o 13.49112 9.633610 -11.70362      10.57010      -11.70362      10.57010      -11.70362      10.57010      13.49112 9.633610 13.49112 9.633610 0.000000       0.000000 
1 1 1 20 30 1  f 27.66842 8.080409 0.3073972E-01  8.182618      12.86548       11.84531      -12.80172      11.28564      34.92700 12.87297 20.40984 9.770290 14.51716       16.16082 
1 1 1 20 30 2  o 48.64834 8.193470 27.97676       7.984251      20.29006       10.35048      35.67055       12.15703      41.61104 11.85870 55.68565 11.30942 -14.07461      16.38694 
1 1 1 20 30 3  o 82.04930 5.170159 71.05771       8.218040      81.47195       9.967916      60.59388       13.06385      88.93186 5.604244 75.16674 8.689915 13.76512       10.34032 
1 1 1 20 30 4  o 49.39828 6.444089 27.91300       6.067182      40.44551       8.664365      15.38757       8.494337      62.13203 6.972543 36.66452 10.83922 25.46751       12.88818 
1 1 1 20 30 5  o 46.58453 6.592628 24.17237       6.031050      19.76581       8.416408      28.57895       8.636027      41.53321 10.19415 51.63583 8.362436 -10.10262      13.18526 
1 1 1 20 30 6  o 26.83559 7.706758 5.075349       6.509255      5.373607       10.14503      4.776382       8.154280      27.91449 11.42042 25.75670 10.35135 2.157789       15.41352 
1 1 1 20 30 7  o 72.74023 4.897080 55.81892       7.119940      56.12355       10.89599      55.52136       9.174451      72.60645 7.503458 72.87401 6.294734 -0.2675552     9.794160 
1 1 1 20 30 8  o 29.20607 7.019139 6.853562       5.897861      17.79631       8.735210      -4.087767      7.927575      38.92138 10.83100 19.49077 8.930994 19.43061       14.03828 
1 1 1 20 30 9  o 48.92069 6.592561 27.31790       6.255630      35.83349       9.046929      18.80939       8.636027      57.80330 7.825616 40.03809 10.61165 17.76521       13.18512 
1 1 1 20 30 10 o 35.44749 7.426950 14.77122       5.744127      18.00884       8.111773      11.52651       8.133026      39.09609 10.24910 31.79890 10.75148 7.297186       14.85390 
1 1 1 20 30 11 o 37.82271 8.213529 17.49876       7.068224      21.34565       9.259464      13.64478       10.68345      41.80832 10.94557 33.83710 12.24919 7.971218       16.42706 
1 1 1 20 30 12 o 33.25429 7.660656 10.87473       7.073891      22.76964       9.592437      -1.018754      10.40007      42.98491 11.08831 23.52367 10.57317 19.46124       15.32131 
1 1 1 20 30 13 o 27.38282 7.984336 5.110063       7.247461      7.700871       9.188620      2.515004       11.22188      28.40267 11.12960 26.36296 11.45122 2.039709       15.96867 
1 1 1 20 30 14 o 26.23088 7.847059 2.665196       7.849646      10.78264       9.960832      -5.455079      12.13578      29.99227 11.62143 22.46949 10.54740 7.522781       15.69412 
1 1 1 20 30 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 30 16 o 21.38444 6.868100 0.2325847      6.426365      -1.309927      8.983169      1.775380       9.195704      20.50568 9.442459 22.26320 9.976129 -1.757521      13.73620 
1 1 1 20 30 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 30 18 o 21.62960 6.668746 2.106936       5.466414      3.324764       7.622942      0.8898154      7.835476      22.34699 9.566154 20.91221 9.293941 1.434774       13.33749 
1 1 1 20 30 19 o 26.90573 7.167218 8.643111       5.440201      11.89491       7.481250      5.386359       7.899237      29.88228 10.30486 23.92918 9.964237 5.953096       14.33444 
1 1 1 20 30 20 o 24.64534 7.020185 7.032093       5.356604      8.551013       7.509589      5.510338       7.644195      25.90547 10.07977 23.38520 9.773951 2.520267       14.04037 
1 1 1 20 30 21 o 32.85033 7.129048 15.61428       5.263088      18.10094       7.141194      13.12761       7.736294      36.03471 9.694944 29.66596 10.45473 6.368755       14.25810 
1 1 1 20 30 22 o 16.80814 5.587419 -2.682199      4.815347      -3.445909      6.577975      -1.918487      7.034926      16.19138 7.645556 17.42490 8.149999 -1.233524      11.17484 
1 1 1 20 30 23 o 22.53434 6.626266 6.902445       4.981124      9.323226       7.183701      4.481666       6.901738      24.50137 9.766653 20.56730 8.957795 3.934069       13.25253 
1 1 1 20 31 0  o 12.06392 8.604826 -9.103605      8.366816      -9.103605      8.366816      -9.103605      8.366816      12.06392 8.604826 12.06392 8.604826 0.000000       0.000000 
1 1 1 20 31 1  o 26.41892 7.575099 4.546844       6.381025      1.897942       9.507423      7.197870       8.508506      24.85920 10.66382 27.97864 10.76157 -3.119436      15.15020 
1 1 1 20 31 2  o 61.32574 6.058370 41.42318       7.078850      34.55119       10.46383      48.29516       9.535762      55.11666 9.847507 67.53482 7.059886 -12.41816      12.11674 
1 1 1 20 31 3  o 30.82173 7.507488 7.771716       6.701954      19.41866       9.620775      -3.873106      9.330310      40.27443 11.41878 21.36903 9.749924 18.90540       15.01498 
1 1 1 20 31 4  o 40.76733 8.222288 19.89333       7.332476      24.96584       9.684536      14.81373       11.00934      46.01914 10.71298 35.51553 12.47622 10.50361       16.44458 
1 1 1 20 31 5  o 29.55803 8.085537 8.501422       6.820973      6.659447       9.457831      10.35048       9.833311      27.94395 11.18222 31.17210 11.68168 -3.228149      16.17107 
1 1 1 20 31 6  o 27.79503 7.932673 5.418948       7.169532      12.49000       10.61261      -1.649984      9.642029      33.00445 12.18168 22.58562 10.16444 10.41883       15.86535 
1 1 1 20 31 7  o 30.15871 8.555141 8.664365       8.203872      9.018591       8.763549      8.310139       13.87149      29.16854 11.00688 31.14888 13.10001 -1.980337      17.11028 
1 1 1 20 31 8  o 30.12694 8.572465 8.005506       8.657280      -5.731375      9.429493      21.73530       14.52326      20.24349 9.455622 40.01038 14.30174 -19.76689      17.14493 
1 1 1 20 31 9  o 48.92692 8.066415 30.05961       7.927575      20.19796       10.18045      39.92126       12.15703      40.14818 11.86547 57.70565 10.93063 -17.55748      16.13283 
1 1 1 20 31 10 o 44.83087 8.362717 24.91625       7.821308      29.08903       9.989170      20.75055       12.05077      49.52268 10.41458 40.13906 13.08727 9.383621       16.72543 
1 1 1 20 31 11 o 28.66889 8.408750 8.905238       8.069265      1.921321       9.755382      15.89766       12.85840      23.63163 10.45293 33.70615 13.17439 -10.07452      16.81750 
1 1 1 20 31 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 31 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 31 14 o 38.50955 7.773793 19.39741       6.285384      20.14128       8.827310      18.65354       8.947746      39.36567 10.86349 37.65344 11.12259 1.712231       15.54759 
1 1 1 20 31 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 31 16 o 29.27003 7.073091 10.15920       5.543635      17.04535       7.764632      3.274464       7.913406      35.92440 10.28165 22.61567 9.716080 13.30873       14.14618 
1 1 1 20 31 17 o 26.01272 6.712788 6.705496       5.241835      14.23988       7.240376      -0.8274717     7.580434      32.55108 10.08759 19.47437 8.859262 13.07672       13.42558 
1 1 1 20 31 18 o 66.40384 4.707833 50.44176       6.206746      56.54153       8.770633      44.34200       8.784801      71.00423 6.176135 61.80344 7.107049 9.200783       9.415667 
1 1 1 20 31 19 o 25.70840 6.996409 8.806056       5.200744      5.254587       7.026425      12.36248       7.672533      22.41849 9.370348 28.99831 10.39209 -6.579821      13.99282 
1 1 1 20 31 20 o 20.52563 6.327139 2.436366       5.100144      6.485168       6.966915      -1.613145      7.452912      23.01015 9.447341 18.04112 8.418937 4.969036       12.65428 
1 1 1 20 31 21 o 33.99079 7.155060 19.10695       5.686034      9.294888       6.881900      28.91900       9.054014      24.84383 9.652894 43.13776 10.56415 -18.29393      14.31012 
1 1 1 20 32 0  o 17.17409 11.17768 1.287965       8.969000      1.287965       8.969000      1.287965       8.969000      17.17409 11.17768 17.17409 11.17768 0.000000       0.000000 
1 1 1 20 32 1  o 39.93615 7.858994 19.60995       6.557429      16.76197       9.195704      22.46501       9.351563      36.90467 11.35461 42.96763 10.86867 -6.062962      15.71799 
1 1 1 20 32 2  o 41.55917 8.333502 21.18979       7.722124      25.29881       9.096521      17.07369       12.47583      46.24445 10.11346 36.87388 13.24790 9.370564       16.66700 
1 1 1 20 32 3  o 40.56555 8.423563 20.29714       7.601687      22.81923       9.146112      17.77505       12.14286      43.60358 10.58032 37.52751 13.11040 6.076073       16.84713 
1 1 1 20 32 4  o 33.46613 8.096536 7.495420       8.586436      22.08953       9.889987      -7.098687      14.04860      42.39050 11.41122 24.54176 11.48911 17.84874       16.19307 
1 1 1 20 32 5  o 35.81420 8.737044 14.53035       8.451830      3.497626       11.75322      25.56094       12.14995      27.23630 11.77317 44.39210 12.91263 -17.15580      17.47409 
1 1 1 20 32 6  o 32.03850 8.873001 11.15103       8.678535      3.959537       12.16412      18.33473       12.36957      27.17365 11.86308 36.90334 13.19802 -9.729689      17.74600 
1 1 1 20 32 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 32 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 32 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 32 10 o 52.33511 8.008027 38.32724       8.175533      37.35666       10.49926      39.29782       12.53251      53.12603 10.24715 51.54418 12.30894 1.581844       16.01605 
1 1 1 20 32 11 o 19.37465 6.498433 -7.011548      6.799720      -6.174866      9.039845      -7.849646      10.15920      19.08451 8.997269 19.66478 9.379108 -0.5802670     12.99687 
1 1 1 20 32 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 32 13 o 23.97791 7.004148 2.286174       6.234376      10.64803       8.090520      -6.076391      9.486169      28.74496 10.63083 19.21087 9.122383 9.534084       14.00830 
1 1 1 20 32 14 o 23.82957 7.187345 4.646027       6.059388      1.933365       7.559181      7.360813       9.472000      21.33208 9.331980 26.32706 10.93370 -4.994984      14.37469 
1 1 1 20 32 15 o 18.16495 5.926678 -4.279757      5.321890      2.450535       7.304138      -11.00934      7.743378      21.07418 9.196535 15.25571 7.478355 5.818476       11.85336 
1 1 1 20 32 16 o 21.34268 6.605444 2.647484       5.418948      0.1367312      7.523758      5.157529       7.800055      19.59476 8.889683 23.09060 9.772467 -3.495838      13.21089 
1 1 1 20 32 17 o 42.15644 6.833786 24.53369       5.673282      20.77181       7.955913      28.30265       8.090520      37.96076 10.24202 46.35212 9.050061 -8.391361      13.66757 
1 1 1 20 32 18 o 18.53411 6.020352 -1.046383      5.212788      -5.994210      7.127024      3.901444       7.608772      15.75460 7.595288 21.31362 9.342920 -5.559019      12.04070 
1 1 1 20 32 19 f 17.45821 5.769415 -1.416904      5.038509      -2.761545      7.112856      -0.7282884E-01 7.141194      16.78428 7.936527 18.13214 8.375926 -1.347853      11.53883 
1 1 1 20 33 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 33 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 33 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 33 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 33 4  o 21.89951 7.089157 0.3003835      7.183701      3.944659       9.719957      -3.343892      10.57718      23.26745 10.34561 20.53156 9.694994 2.735884       14.17831 
1 1 1 20 33 5  o 23.35584 7.444467 -0.5248211     7.693786      -5.345269      11.93033      4.296052       9.734127      21.94386 10.34259 24.76783 10.71033 -2.823969      14.88893 
1 1 1 20 33 6  o 35.47668 7.998739 16.66987       6.415030      17.81048       9.011506      15.53635       9.131943      36.68747 11.23067 34.26589 11.39260 2.421577       15.99748 
1 1 1 20 33 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 33 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 20 33 9  o 28.59888 7.696257 10.57718       6.105437      9.826226       8.706873      11.32814       8.558097      27.92469 10.85604 29.27308 10.91219 -1.348391      15.39251 
1 1 1 20 33 10 o 26.36636 7.290003 7.059722       6.019715      14.48075       9.082352      -0.3581932     7.899237      32.42054 11.33730 20.31217 9.167450 12.10837       14.58001 
1 1 1 20 33 11 o 47.87799 7.149097 29.67705       6.745169      25.45467       10.06710      33.89233       8.983169      42.43702 11.55313 53.31897 8.423989 -10.88195      14.29819 
1 1 1 20 33 12 o 19.70418 6.398964 -1.109435      5.749794      0.5438784      8.388069      -2.762962      7.863815      20.80935 9.416377 18.59901 8.667109 2.210342       12.79793 
1 1 1 20 33 13 o 23.96471 7.188835 5.537968       6.106146      10.00334       9.124859      1.072596       8.118857      27.23212 10.94768 20.69731 9.320174 6.534813       14.37767 
1 1 1 20 33 14 o 19.62969 6.458878 -2.596476      6.330016      -8.295970      8.905238      3.103019       8.997337      17.12864 8.305762 22.13073 9.893569 -5.002090      12.91776 
1 1 1 20 33 15 o 31.04066 7.568789 14.83498       6.029633      18.62520       7.977167      11.05185       9.039845      35.10918 10.53059 26.97214 10.87442 8.137041       15.13758 
1 1 1 20 33 16 o 23.28072 6.964721 6.691327       5.656987      7.474166       7.382068      5.904946       8.579351      23.70943 9.727968 22.85200 9.969753 0.8574314      13.92944 
1 1 1 20 33 17 o 25.64628 7.334910 11.07310       5.845435      8.062181       7.410406      14.07694       9.046929      23.47628 9.705420 27.81628 11.00039 -4.340002      14.66982 
1 1 1 20 34 0  o 12.49364 8.836977 -6.405821      8.324308      -6.405821      8.324308      -6.405821      8.324308      12.49364 8.836977 12.49364 8.836977 0.000000       0.000000 
1 1 1 20 34 1  o 27.07900 7.494207 7.955913       6.334267      0.6224458      8.458915      15.28839       9.429493      21.30797 9.557611 32.85003 11.54576 -11.54206      14.98841 
1 1 1 20 34 2  o 22.49987 6.852266 1.596850       5.955245      7.141194       7.941744      -3.947494      8.876901      25.54627 10.23681 19.45346 9.111641 6.092806       13.70453 
1 1 1 20 34 3  o 27.67056 7.824648 8.912323       6.718248      14.10528       10.15920      3.726456       8.798972      31.77958 11.88073 23.56154 10.18571 8.218046       15.64930 
1 1 1 20 34 4  o 27.18658 7.831554 8.416408       6.729583      9.578268       10.19462      7.254546       8.791886      28.27875 11.48867 26.09441 10.64629 2.184338       15.66311 
1 1 1 20 34 5  o 21.32392 7.011912 -4.403028      7.601687      -9.712874      12.10036      0.9046929      9.202788      20.46325 9.873025 22.18459 9.959468 -1.721340      14.02382 
1 1 1 20 34 6  o 37.41733 7.554959 18.90149       6.703371      10.44258       10.15920      27.35332       8.749379      28.60612 11.53017 46.22854 9.765489 -17.62242      15.10992 
1 1 1 20 34 7  o 24.39798 7.530459 4.789842       6.938577      4.658071       10.15211      4.920906       9.457831      24.50971 10.76765 24.28625 10.53038 0.2234631      15.06092 
1 1 1 20 34 8  o 25.60181 7.538152 7.374983       6.492960      6.444077       10.01751      8.303054       8.267632      25.22379 10.88575 25.97982 10.43050 -0.7560291     15.07630 
1 1 1 20 34 9  o 29.38110 7.114280 11.46984       5.551428      18.56144       8.040927      4.377523       7.651280      36.24195 10.49260 22.52026 9.610273 13.72169       14.22856 
1 1 1 20 34 10 o 21.91786 6.633891 2.655277       5.533009      -3.894360      7.622942      9.202788       8.026759      17.56786 8.276347 26.26786 10.36996 -8.700006      13.26778 
1 1 1 20 34 11 o 26.58853 7.077119 9.061099       5.639277      16.03226       8.069265      2.092767       7.885069      32.48868 10.70924 20.68839 9.254977 11.80029       14.15424 
1 1 1 20 34 12 o 32.94128 7.087054 16.09602       5.509629      22.40833       7.750463      9.776634       7.835476      39.84785 9.783801 26.03470 10.25586 13.81316       14.17411 
1 1 1 20 34 13 o 29.38801 7.586396 13.94233       5.806470      13.63061       8.154280      14.25405       8.267632      29.12344 10.68584 29.65257 10.77155 -0.5291252     15.17279 
1 1 1 20 34 14 o 26.30834 6.690187 7.190785       5.939660      -5.156112      8.976085      19.53910       7.778800      17.49960 8.455902 35.11708 10.36977 -17.61748      13.38037 
1 1 1 20 35 0  o 12.39602 8.700157 -4.701995      7.729208      -4.701995      7.729208      -4.701995      7.729208      12.39602 8.700157 12.39602 8.700157 0.000000       0.000000 
1 1 1 20 35 1  o 18.32945 6.041444 -3.087433      5.474207      -6.811056      7.622942      0.6362606      7.863815      16.44564 7.910406 20.21326 9.133545 -3.767616      12.08289 
1 1 1 20 35 2  o 21.37864 6.627960 2.706994       5.458621      1.406985       7.835476      4.007003       7.608772      20.61490 9.223870 22.14238 9.520485 -1.527475      13.25592 
1 1 1 20 35 3  o 27.00083 7.375122 9.939578       5.656280      9.521592       8.097604      10.35048       7.899237      26.61964 10.44450 27.38202 10.41547 -0.7623768     14.75024 
1 1 1 20 35 4  o 20.29935 6.590091 -4.972623      7.119940      -14.15487      11.95158      4.211038       7.743378      18.37611 9.051719 22.22260 9.580376 -3.846487      13.18018 
1 1 1 20 35 5  o 23.56583 6.810297 5.122815       5.539385      12.40499       8.125941      -2.161486      7.530843      28.95504 10.66305 18.17661 8.474669 10.77843       13.62059 
1 1 1 20 35 6  o 22.69159 6.916512 4.510713       5.892194      -0.7360815     7.877984      9.755382       8.763549      19.10985 8.816066 26.27332 10.65972 -7.163477      13.83302 
1 1 1 20 35 7  o 28.68480 7.051624 10.86057       5.972248      -0.7247462     8.033843      22.45084       8.834394      19.13746 8.856984 38.23214 10.97522 -19.09469      14.10325 
1 1 1 20 35 8  o 26.28828 7.328853 9.854564       5.866689      13.26930       8.097604      6.441952       8.487252      29.12296 10.65225 23.45360 10.06866 5.669355       14.65771 
1 1 1 20 35 9  o 39.82625 7.915982 25.67429       6.867023      20.36799       10.06710      30.98060       9.344479      33.75444 11.92301 45.89806 10.41600 -12.14362      15.83196 
1 1 1 20 35 10 o 20.07285 6.468685 0.5972249      6.028925      -4.264880      9.146112      5.459329       7.856731      18.09978 8.695962 22.04591 9.578924 -3.946129      12.93737 
1 1 1 20 35 11 o 20.16270 6.543116 2.566721       6.022548      7.417490       9.386987      -2.284757      7.552096      23.08673 10.22743 17.23867 8.163890 5.848057       13.08623 
1 1 1 20 36 0  o 18.47637 11.35360 6.325766       7.927575      6.325766       7.927575      6.325766       7.927575      18.47637 11.35360 18.47637 11.35360 0.000000       0.000000 
1 1 1 20 36 1  o 22.03378 6.670614 4.582975       5.476333      -0.6680700     7.608772      9.833311       7.877984      18.46974 8.575328 25.59783 10.22018 -7.128090      13.34123 
1 1 1 20 36 2  o 16.24986 5.578039 -6.982501      5.710830      -6.633234      7.679617      -7.332476      8.451830      15.97298 7.735996 16.52674 8.038185 -0.5537596     11.15608 
1 1 1 20 36 3  f 27.55391 7.254796 11.95867       5.496878      8.487252       7.700871      15.43008       7.849646      24.31088 9.948740 30.79693 10.56176 -6.486048      14.50959 
1 1 1 20 36 4  o 16.40473 5.816823 -9.790804      6.823808      -1.344641      11.56902      -18.24263      7.240376      20.54662 9.849318 12.26285 6.191335 8.283768       11.63365 
1 1 1 20 36 5  o 17.10918 5.718368 -2.872063      5.253878      0.3242584      7.311223      -6.067889      7.545012      18.40013 8.490314 15.81823 7.662474 2.581907       11.43674 
1 1 1 20 36 6  o 21.59509 6.732965 5.260962       5.801512      -0.9748297     7.325392      11.49817       9.004422      17.57469 8.239795 25.61548 10.65068 -8.040789      13.46593 
1 1 1 21 0  1  o 473.8107 5.329733 2247.209       50.49136      2247.209       50.49136      2247.209       50.49136      473.8107 5.329733 473.8107 5.329733 0.000000       0.000000 
1 1 1 21 0  2  o 438.2874 4.958142 1922.738       43.44935      1922.738       43.44935      1922.738       43.44935      438.2874 4.958142 438.2874 4.958142 0.000000       0.000000 
1 1 1 21 0  3  o 164.3570 3.136241 270.4869       10.30089      270.4869       10.30089      270.4869       10.30089      164.3570 3.136241 164.3570 3.136241 0.000000       0.000000 
1 1 1 21 0  4  f 212.2179 3.239862 450.7879       13.74396      450.7879       13.74396      450.7879       13.74396      212.2179 3.239862 212.2179 3.239862 0.000000       0.000000 
1 1 1 21 0  5  o 24.86751 10.20707 8.678535       4.990335      8.678535       4.990335      8.678535       4.990335      24.86751 10.20707 24.86751 10.20707 0.000000       0.000000 
1 1 1 21 0  6  o 482.8275 5.335823 2333.640       51.51153      2333.640       51.51153      2333.640       51.51153      482.8275 5.335823 482.8275 5.335823 0.000000       0.000000 
1 1 1 21 0  7  o 147.7976 3.056303 218.7699       9.025676      218.7699       9.025676      218.7699       9.025676      147.7976 3.056303 147.7976 3.056303 0.000000       0.000000 
1 1 1 21 0  8  o 302.1851 3.758252 913.9028       22.70588      913.9028       22.70588      913.9028       22.70588      302.1851 3.758252 302.1851 3.758252 0.000000       0.000000 
1 1 1 21 0  9  o 95.99892 3.356821 92.52380       6.427783      92.52380       6.427783      92.52380       6.427783      95.99892 3.356821 95.99892 3.356821 0.000000       0.000000 
1 1 1 21 0  10 o 248.5785 3.365823 618.4784       16.72655      618.4784       16.72655      618.4784       16.72655      248.5785 3.365823 248.5785 3.365823 0.000000       0.000000 
1 1 1 21 0  11 o 13.00322 8.281981 0.6810347      4.602811      0.6810347      4.602811      0.6810347      4.602811      13.00322 8.281981 13.00322 8.281981 0.000000       0.000000 
1 1 1 21 0  12 o 35.82948 7.334238 14.34615       4.648860      14.34615       4.648860      14.34615       4.648860      35.82948 7.334238 35.82948 7.334238 0.000000       0.000000 
1 1 1 21 0  13 o 397.3684 4.544058 1581.264       36.10270      1581.264       36.10270      1581.264       36.10270      397.3684 4.544058 397.3684 4.544058 0.000000       0.000000 
1 1 1 21 0  14 o 308.9540 3.813525 955.7015       23.55602      955.7015       23.55602      955.7015       23.55602      308.9540 3.813525 308.9540 3.813525 0.000000       0.000000 
1 1 1 21 0  15 o 34.92282 8.919749 14.38157       5.377149      14.38157       5.377149      14.38157       5.377149      34.92282 8.919749 34.92282 8.919749 0.000000       0.000000 
1 1 1 21 0  16 o 90.08507 3.332195 81.54280       5.985709      81.54280       5.985709      81.54280       5.985709      90.08507 3.332195 90.08507 3.332195 0.000000       0.000000 
1 1 1 21 0  17 o 69.12082 4.604709 48.47936       6.308055      48.47936       6.308055      48.47936       6.308055      69.12082 4.604709 69.12082 4.604709 0.000000       0.000000 
1 1 1 21 0  18 o 148.4025 3.520342 220.8244       10.43549      220.8244       10.43549      220.8244       10.43549      148.4025 3.520342 148.4025 3.520342 0.000000       0.000000 
1 1 1 21 0  19 o 8.830453 6.286272 -5.102270      4.404445      -5.102270      4.404445      -5.102270      4.404445      8.830453 6.286272 8.830453 6.286272 0.000000       0.000000 
1 1 1 21 0  20 o 119.4339 3.169530 143.1073       7.559181      143.1073       7.559181      143.1073       7.559181      119.4339 3.169530 119.4339 3.169530 0.000000       0.000000 
1 1 1 21 0  21 o 33.06849 8.713919 13.03551       4.967664      13.03551       4.967664      13.03551       4.967664      33.06849 8.713919 33.06849 8.713919 0.000000       0.000000 
1 1 1 21 0  22 o 52.60920 4.988955 28.50810       5.161780      28.50810       5.161780      28.50810       5.161780      52.60920 4.988955 52.60920 4.988955 0.000000       0.000000 
1 1 1 21 0  23 o 111.3975 3.284710 124.6167       7.304138      124.6167       7.304138      124.6167       7.304138      111.3975 3.284710 111.3975 3.284710 0.000000       0.000000 
1 1 1 21 0  24 f 206.8286 3.279866 428.8259       13.55977      428.8259       13.55977      428.8259       13.55977      206.8286 3.279866 206.8286 3.279866 0.000000       0.000000 
1 1 1 21 0  25 o 83.42179 3.723737 70.17215       6.186202      70.17215       6.186202      70.17215       6.186202      83.42179 3.723737 83.42179 3.723737 0.000000       0.000000 
1 1 1 21 0  26 o 121.5664 3.295089 148.4207       7.998421      148.4207       7.998421      148.4207       7.998421      121.5664 3.295089 121.5664 3.295089 0.000000       0.000000 
1 1 1 21 0  27 o 63.67204 4.888079 41.44443       6.152195      41.44443       6.152195      41.44443       6.152195      63.67204 4.888079 63.67204 4.888079 0.000000       0.000000 
1 1 1 21 0  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 0  29 o 233.2798 4.119413 547.2081       19.20613      547.2081       19.20613      547.2081       19.20613      233.2798 4.119413 233.2798 4.119413 0.000000       0.000000 
1 1 1 21 0  30 o 126.0979 4.074158 160.3226       10.25130      160.3226       10.25130      160.3226       10.25130      126.0979 4.074158 126.0979 4.074158 0.000000       0.000000 
1 1 1 21 0  31 o 179.0765 3.908854 322.9123       13.98484      322.9123       13.98484      322.9123       13.98484      179.0765 3.908854 179.0765 3.908854 0.000000       0.000000 
1 1 1 21 0  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 0  33 o 66.98758 5.568600 46.46027       7.360813      46.46027       7.360813      46.46027       7.360813      66.98758 5.568600 66.98758 5.568600 0.000000       0.000000 
1 1 1 21 0  34 o 79.55302 5.156066 65.06421       8.133026      65.06421       8.133026      65.06421       8.133026      79.55302 5.156066 79.55302 5.156066 0.000000       0.000000 
1 1 1 21 0  35 o 54.93638 6.847499 32.59587       7.332476      32.59587       7.332476      32.59587       7.332476      54.93638 6.847499 54.93638 6.847499 0.000000       0.000000 
1 1 1 21 0  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 0  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 0  38 o 90.06647 4.507549 84.09322       8.076350      84.09322       8.076350      84.09322       8.076350      90.06647 4.507549 90.06647 4.507549 0.000000       0.000000 
1 1 1 21 0  39 o 18.25792 9.794060 5.908488       4.855729      5.908488       4.855729      5.908488       4.855729      18.25792 9.794060 18.25792 9.794060 0.000000       0.000000 
1 1 1 21 0  40 o 13.72549 8.636828 2.513587       4.861396      2.513587       4.861396      2.513587       4.861396      13.72549 8.636828 13.72549 8.636828 0.000000       0.000000 
1 1 1 21 1  0  o 357.0511 4.295148 1275.922       30.66179      1275.922       30.66179      1275.922       30.66179      357.0511 4.295148 357.0511 4.295148 0.000000       0.000000 
1 1 1 21 1  1  o 184.3819 2.269288 340.1277       8.366816      343.2449       11.96575      337.0105       11.70362      185.2263 3.230035 183.5375 3.188346 1.688766       4.538577 
1 1 1 21 1  2  o 217.1835 2.324960 471.9706       10.10252      482.3848       14.48784      461.5563       14.07694      219.5796 3.298995 214.7874 3.276946 4.792160       4.649919 
1 1 1 21 1  3  o 92.84238 2.553705 86.21858       4.741668      87.70633       6.720373      84.80168       6.690619      93.62440 3.589008 92.06036 3.633822 1.564034       5.107410 
1 1 1 21 1  4  o 154.9729 2.183572 240.2360       6.768548      240.5194       9.613690      240.0235       9.528677      155.0526 3.100139 154.8932 3.075887 0.1594086      4.367144 
1 1 1 21 1  5  o 196.8370 2.233892 387.5939       8.791886      386.6730       12.45458      388.5858       12.41916      196.5940 3.167590 197.0801 3.150790 -0.4861450     4.467785 
1 1 1 21 1  6  o 85.60178 2.636444 73.46645       4.509295      67.93344       6.284676      78.92152       6.467456      82.39351 3.813817 88.81004 3.641174 -6.416534      5.272888 
1 1 1 21 1  7  o 206.0954 2.249414 425.0711       9.273635      411.2563       12.82298      438.8859       13.40391      202.7460 3.162325 209.4447 3.199867 -6.698700      4.498827 
1 1 1 21 1  8  o 220.7240 2.290003 487.4857       10.10961      484.7935       14.24696      490.1070       14.34615      220.1226 3.236143 221.3254 3.240963 -1.202835      4.580007 
1 1 1 21 1  9  o 160.0135 2.127304 256.1762       6.808930      258.4432       9.663282      253.9091       9.592437      160.7216 3.006217 159.3055 3.010706 1.416183       4.254608 
1 1 1 21 1  10 o 193.3507 2.178913 374.1334       8.430575      368.5366       11.80281      379.6593       12.02951      191.9137 3.075031 194.7877 3.087852 -2.874008      4.357826 
1 1 1 21 1  11 o 225.2654 2.291645 507.8891       10.32214      503.9926       14.53035      511.7856       14.67204      224.4015 3.237577 226.1293 3.244169 -1.727829      4.583289 
1 1 1 21 1  12 o 128.6278 2.123412 165.6360       5.461455      171.0203       7.877984      160.2518       7.573349      130.7186 3.013337 126.5370 2.992543 4.181572       4.246824 
1 1 1 21 1  13 o 84.19295 2.458001 70.98687       4.137358      69.34325       5.865981      72.61631       5.837643      83.22082 3.524347 85.16508 3.427251 -1.944267      4.916002 
1 1 1 21 1  14 o 216.3737 2.250879 468.7826       9.741212      479.6927       13.99192      457.8015       13.55977      218.8993 3.195973 213.8480 3.170422 5.051285       4.501757 
1 1 1 21 1  15 o 58.42319 3.340665 34.55119       3.915613      27.83507       5.019381      41.26731       6.011921      52.68907 4.763208 64.15731 4.685298 -11.46824      6.681330 
1 1 1 21 1  16 o 289.2925 2.818445 838.8069       16.35107      812.5942       20.77889      865.0197       25.24922      284.8187 3.647739 293.7663 4.297502 -8.947540      5.636889 
1 1 1 21 1  17 o 61.25889 3.634603 38.50436       4.344226      27.22580       5.950995      49.78291       6.329308      52.05986 5.715532 70.45792 4.491552 -18.39807      7.269205 
1 1 1 21 1  18 o 88.58179 2.514479 78.63815       4.442701      80.40928       5.558513      76.86702       6.932201      89.60118 3.101808 87.56240 3.958435 2.038780       5.028958 
1 1 1 21 1  19 o 162.3821 2.518314 264.3942       8.225125      257.2389       8.777717      271.5496       13.90691      160.2676 2.738457 164.4966 4.227112 -4.228958      5.036628 
1 1 1 21 1  20 o 215.3536 2.486981 465.0986       10.72596      458.5100       13.94941      471.6872       16.28731      213.8705 3.261183 216.8368 3.755661 -2.966309      4.973962 
1 1 1 21 1  21 o 195.5528 2.264554 383.3432       8.855647      379.8719       12.46167      386.8147       12.58919      194.6676 3.200756 196.4379 3.204368 -1.770340      4.529107 
1 1 1 21 1  22 o 191.2145 2.260307 366.6946       8.643111      370.2369       12.24913      363.0815       12.19954      192.1489 3.187406 190.2800 3.205681 1.868866       4.520614 
1 1 1 21 1  23 o 184.5510 2.451586 341.8280       9.054014      337.4356       11.56902      346.2204       13.94233      183.4222 3.153659 185.6798 3.754401 -2.257660      4.903172 
1 1 1 21 1  24 o 162.3377 2.221072 264.3942       7.212039      264.8193       10.16628      263.8983       10.23004      162.4811 3.128450 162.1943 3.153639 0.2868195      4.442143 
1 1 1 21 1  25 o 110.2366 2.373557 121.9954       5.231208      123.3415       7.360813      120.6493       7.438744      110.8494 3.320188 109.6238 3.392851 1.225555       4.747113 
1 1 1 21 1  26 o 138.0627 2.478200 191.5654       6.838685      193.1240       8.947746      189.9359       10.34340      138.6875 3.225865 137.4378 3.762938 1.249756       4.956400 
1 1 1 21 1  27 o 58.52566 3.984490 34.79915       4.588642      38.79482       5.853937      30.80348       7.068224      62.00697 4.720387 55.04434 6.420481 6.962627       7.968979 
1 1 1 21 1  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 1  29 o 60.23975 3.990810 36.92451       4.794801      37.89508       6.241460      35.94684       7.282885      61.12768 5.105265 59.35181 6.135351 1.775871       7.981620 
1 1 1 21 1  30 o 85.72603 3.093610 74.45828       5.266631      80.48012       7.032093      68.48603       7.842561      89.27879 3.938277 82.17327 4.771966 7.105522       6.187220 
1 1 1 21 1  31 o 79.50652 3.564396 64.73124       5.632192      54.89084       7.828392      74.59997       8.097604      73.33366 5.337516 85.67938 4.725527 -12.34572      7.128793 
1 1 1 21 1  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 1  33 o 130.9440 2.870483 174.2791       7.516674      173.4998       10.72596      174.9876       10.53468      130.6408 4.105134 131.2471 4.013299 -0.6062775     5.740966 
1 1 1 21 1  34 o 73.69308 3.735611 56.15897       5.505378      59.33992       7.991336      52.98511       7.580434      75.78409 5.272437 71.60209 5.293445 4.181999       7.471221 
1 1 1 21 1  35 f 89.74889 3.151613 83.17223       5.698077      90.68183       8.933578      75.66265       7.074599      93.61669 4.771359 85.88107 4.118835 7.735619       6.303227 
1 1 1 21 1  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 1  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 1  38 o 51.89642 4.286993 29.80457       4.423573      29.13154       6.886151      30.47760       5.554970      50.66560 6.795688 53.12724 5.227987 -2.461643      8.573985 
1 1 1 21 1  39 o 22.10339 5.941593 5.699495       3.820680      9.875818       5.975082      1.524588       4.763630      26.81946 9.213094 17.38731 7.505266 9.432146       11.88319 
1 1 1 21 1  40 o 49.29890 4.400367 28.86232       4.203953      24.85957       6.453288      32.86508       5.389901      44.45795 7.257743 54.13984 4.977758 -9.681892      8.800734 
1 1 1 21 2  0  o 244.7688 3.453077 599.6335       16.89658      599.6335       16.89658      599.6335       16.89658      244.7688 3.453077 244.7688 3.453077 0.000000       0.000000 
1 1 1 21 2  1  o 201.5781 2.287558 406.5805       9.224042      412.0356       13.14886      401.0546       12.93633      202.9392 3.239608 200.2169 3.230578 2.722214       4.575117 
1 1 1 21 2  2  o 132.0517 2.249617 174.4917       5.942493      173.9249       8.345562      174.9876       8.458915      131.8509 3.164773 132.2524 3.198018 -0.4015656     4.499234 
1 1 1 21 2  3  o 284.7192 2.600003 811.1773       14.80664      801.9674       20.75055      820.3871       21.12603      283.1034 3.664836 286.3350 3.689042 -3.231567      5.200005 
1 1 1 21 2  4  o 248.3173 2.428136 617.2032       12.06493      594.1077       16.59903      640.2278       17.51293      243.6777 3.405939 252.9569 3.461642 -9.279251      4.856273 
1 1 1 21 2  5  o 312.7359 2.739537 979.0804       17.13745      980.4973       24.29990      976.9550       24.16529      313.0184 3.881544 312.4533 3.867024 0.5650635      5.479075 
1 1 1 21 2  6  o 53.00701 3.612515 28.19638       3.816430      30.81057       5.384942      25.57511       5.409738      55.47639 4.853364 50.53764 5.352187 4.938755       7.225029 
1 1 1 21 2  7  o 283.4603 2.573033 804.0928       14.58702      787.7984       20.29006      820.3871       20.97017      280.5891 3.615618 286.3315 3.661870 -5.742432      5.146065 
1 1 1 21 2  8  o 216.2882 2.277956 468.4283       9.861650      441.9322       13.40391      494.9244       14.47367      210.1674 3.188864 222.4090 3.253841 -12.24158      4.555912 
1 1 1 21 2  9  o 75.78983 2.704881 57.49086       4.099811      56.78241       5.766089      58.19931       5.830558      75.32280 3.827586 76.25686 3.822973 -0.9340591     5.409763 
1 1 1 21 2  10 o 138.5246 2.139107 192.0613       5.926199      195.4619       8.437660      188.5899       8.324308      139.7643 3.018533 137.2850 3.031762 2.479248       4.278214 
1 1 1 21 2  11 o 363.3005 3.016247 1321.971       21.91950      1340.391       31.41275      1303.551       30.57678      365.8280 4.293377 360.7730 4.237676 5.055023       6.032494 
1 1 1 21 2  12 o 172.6850 2.141156 298.5416       7.396237      288.8358       10.35048      308.2473       10.56302      169.8763 3.046476 175.4937 3.009514 -5.617432      4.282311 
1 1 1 21 2  13 o 212.7179 2.230770 452.9132       9.493254      455.7470       13.47475      450.1502       13.36848      213.3749 3.157531 212.0610 3.152037 1.313843       4.461540 
1 1 1 21 2  14 o 285.3921 2.675147 816.1365       15.24588      826.7632       19.00776      804.8012       23.83940      287.3650 3.307251 283.4192 4.205678 3.945770       5.350293 
1 1 1 21 2  15 f 163.8519 2.552985 269.1408       8.260548      285.7895       9.195704      252.4922       13.71563      168.9791 2.720960 158.7248 4.320569 10.25430       5.105971 
1 1 1 21 2  16 o 218.3045 2.481137 477.4965       10.86765      457.7307       13.80772      497.3331       16.79031      213.8029 3.229078 222.8061 3.767920 -9.003159      4.962274 
1 1 1 21 2  17 o 18.52432 5.484666 0.5390610      3.424656      0.9826226      4.532674      0.9564099E-01  5.134858      18.41958 7.601058 18.62906 7.908867 -0.2094803     10.96933 
1 1 1 21 2  18 o 27.50873 5.551699 7.495420       3.384982      9.854564       4.139484      5.132733       5.357312      30.66717 6.914063 24.35028 8.687990 6.316893       11.10340 
1 1 1 21 2  19 o 122.9810 2.719669 151.8212       6.627566      160.7477       8.048012      142.8947       10.53468      126.6575 3.177076 119.3045 4.415040 7.353088       5.439337 
1 1 1 21 2  20 o 181.6573 2.369194 330.8470       8.614774      328.2257       11.04476      333.4682       13.21971      180.9773 3.051422 182.3372 3.625072 -1.359879      4.738389 
1 1 1 21 2  21 o 118.0407 2.340806 139.7067       5.499711      144.8075       6.773507      134.6767       8.664365      120.2230 2.817061 115.8584 3.739205 4.364548       4.681611 
1 1 1 21 2  22 o 224.7674 2.559513 507.0389       11.51943      499.3877       15.06169      514.7610       17.42792      223.1169 3.375290 226.4179 3.848616 -3.301025      5.119027 
1 1 1 21 2  23 o 187.2357 2.262851 351.6046       8.473083      351.6755       11.91616      351.6046       12.05077      187.2483 3.181914 187.2230 3.218292 0.2531433E-01  4.525702 
1 1 1 21 2  24 o 146.5220 2.429488 215.6527       7.148279      203.3257       9.068183      228.0506       11.05893      142.3587 3.184977 150.6853 3.669546 -8.326599      4.858976 
1 1 1 21 2  25 o 66.10136 3.400698 44.39159       4.403736      52.41835       5.949578      36.37191       6.494378      72.19206 4.120659 60.01065 5.411021 12.18142       6.801396 
1 1 1 21 2  26 o 108.1313 2.687398 117.6030       5.821349      115.0526       7.467082      120.1534       8.933578      107.0066 3.489075 109.2559 4.088374 -2.249260      5.374797 
1 1 1 21 2  27 o 76.03462 3.234410 58.41185       4.952786      53.48102       6.159280      63.34976       7.757547      72.86469 4.226519 79.20456 4.897159 -6.339874      6.468820 
1 1 1 21 2  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 2  29 o 122.6539 2.671814 151.8921       6.509255      165.2110       8.784801      138.5732       9.606606      128.1253 3.428208 117.1825 4.098994 10.94276       5.343628 
1 1 1 21 2  30 o 102.2691 2.820950 105.7719       5.738459      113.3523       7.707955      98.19141       8.501422      106.0250 3.634972 98.51331 4.314860 7.511650       5.641900 
1 1 1 21 2  31 o 29.79774 5.490048 9.167366       3.831307      1.721538       5.353770      16.62028       5.482708      20.13410 8.276652 39.46138 7.215229 -19.32728      10.98010 
1 1 1 21 2  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 2  33 o 61.89702 3.457746 39.22697       4.280466      38.99319       6.062222      39.46785       6.044511      61.70314 4.912410 62.09090 4.867469 -0.3877640     6.915492 
1 1 1 21 2  34 o 37.33747 5.860793 15.43716       4.437742      10.17337       6.930075      20.70096       5.545760      30.21565 9.924550 44.45929 6.236897 -14.24364      11.72159 
1 1 1 21 2  35 o 162.8316 2.683880 270.8411       8.721042      266.6613       13.38974      275.0918       11.18645      161.2254 4.152490 164.4378 3.401423 -3.212402      5.367761 
1 1 1 21 2  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 2  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 2  38 o 59.50005 3.764215 38.52561       4.525590      42.84008       7.219123      34.21822       5.455079      62.42483 5.782253 56.57527 4.821080 5.849560       7.528431 
1 1 1 21 2  39 o 46.87612 4.463178 25.46176       4.225206      29.12445       6.669365      21.79906       5.190118      49.89285 6.683689 43.85940 5.916768 6.033443       8.926356 
1 1 1 21 2  40 o 18.87253 5.618067 3.137733       3.772506      1.475705       5.932575      4.800469       4.662321      17.82102 7.998579 19.92405 7.891353 -2.103031      11.23613 
1 1 1 21 3  0  o 102.6871 3.499865 105.8427       7.169532      105.8427       7.169532      105.8427       7.169532      102.6871 3.499865 102.6871 3.499865 0.000000       0.000000 
1 1 1 21 3  1  o 214.1836 2.312500 459.0059       9.904156      447.5290       13.79356      470.5537       14.22571      211.4977 3.260924 216.8694 3.279787 -5.371780      4.625000 
1 1 1 21 3  2  o 218.3329 2.313327 476.9298       10.10252      485.5728       14.44533      468.3575       14.12653      220.3029 3.278517 216.3628 3.264546 3.940048       4.626655 
1 1 1 21 3  3  o 334.8101 2.867513 1121.479       19.19904      1124.313       27.19747      1119.354       27.11245      335.1800 4.057144 334.4402 4.053408 0.7397766      5.735026 
1 1 1 21 3  4  o 263.1677 2.484126 693.0075       13.07802      692.0157       18.49059      693.9285       18.49059      262.9860 3.515509 263.3494 3.510658 -0.3634033     4.968252 
1 1 1 21 3  5  o 375.0230 3.097023 1407.694       23.23013      1409.111       32.90759      1406.277       32.79423      375.2114 4.385206 374.8347 4.374493 0.3766479      6.194047 
1 1 1 21 3  6  o 451.1274 3.569606 2037.507       32.21330      1994.292       44.70331      2081.431       46.39651      446.3086 5.008117 455.9462 5.087937 -9.637634      7.139211 
1 1 1 21 3  7  o 484.2388 3.780108 2347.809       36.60571      2346.392       51.74532      2349.935       51.80199      484.0563 5.344969 484.4214 5.346791 -0.3650513     7.560216 
1 1 1 21 3  8  o 190.1104 2.196182 361.6646       8.352647      352.2422       11.58319      371.0870       12.03660      187.6341 3.086642 192.5867 3.124981 -4.952576      4.392365 
1 1 1 21 3  9  o 187.3575 2.172350 351.2504       8.140111      342.1822       11.32106      360.3894       11.70362      184.9298 3.060908 189.7852 3.083386 -4.855438      4.344701 
1 1 1 21 3  10 f 160.5332 2.317004 258.2307       7.410406      277.4297       10.15920      239.1025       10.78264      166.5057 3.050707 154.5607 3.488155 11.94492       4.634008 
1 1 1 21 3  11 o 36.36607 4.770198 13.68020       3.377898      16.72655       4.912405      10.63386       4.637525      40.83257 6.015302 31.89956 7.405087 8.933008       9.540397 
1 1 1 21 3  12 o 113.8657 2.310019 129.7884       5.260962      129.8592       6.405112      129.7175       8.345562      113.9120 2.811429 113.8193 3.666146 0.9276581E-01  4.620039 
1 1 1 21 3  13 o 250.3568 2.496443 627.6174       12.47583      636.6856       15.47967      618.5493       19.57452      252.2046 3.068872 248.5090 3.938392 3.695572       4.992886 
1 1 1 21 3  14 o 107.1904 2.722320 115.0526       5.822057      116.2569       6.168490      113.9190       9.875818      107.7739 2.861773 106.6069 4.631885 1.166985       5.444640 
1 1 1 21 3  15 o 95.31004 2.496673 91.24860       4.688534      101.2378       5.946744      81.25941       7.247461      100.5640 2.956697 90.05611 4.023859 10.50786       4.993345 
1 1 1 21 3  16 o 164.1567 2.811064 270.1327       9.259464      278.4215       14.53743      261.7729       11.46984      166.6524 4.361603 161.6609 3.547498 4.991455       5.622128 
1 1 1 21 3  17 o 194.1091 2.294380 377.3923       8.905238      378.3133       11.01642      376.4004       13.99192      194.3901 2.833587 193.8282 3.609363 0.5619354      4.588760 
1 1 1 21 3  18 o 110.8943 2.752712 123.3415       6.127400      121.2161       6.466040      125.3960       10.40716      110.0165 2.938668 111.7721 4.655525 -1.755638      5.505423 
1 1 1 21 3  19 f 171.6651 2.277191 295.5661       7.885069      277.5714       9.231127      313.6316       12.78047      166.4724 2.772569 176.8578 3.613205 -10.38538      4.554382 
1 1 1 21 3  20 o 253.4066 2.552545 644.0535       12.92925      647.8792       15.91183      640.2988       20.37507      254.2469 3.129208 252.5663 4.033608 1.680557       5.105090 
1 1 1 21 3  21 o 239.2653 2.888364 575.1920       13.99192      544.8702       14.00609      605.5137       24.21488      233.1729 3.003371 245.3577 4.934608 -12.18481      5.776728 
1 1 1 21 3  22 o 140.0273 2.612285 196.8788       7.261631      202.8297       7.941744      190.9278       12.17120      142.2605 2.791269 137.7942 4.416441 4.466263       5.224570 
1 1 1 21 3  23 o 112.3767 2.730335 127.0254       6.235084      117.6030       6.303096      136.4478       10.76138      108.3094 2.909763 116.4439 4.620844 -8.134468      5.460670 
1 1 1 21 3  24 o 39.90564 5.151805 16.65570       3.931907      20.14837       5.102270      13.17012       5.984292      44.64237 5.714605 35.16891 8.573663 9.473454       10.30361 
1 1 1 21 3  25 o 183.4852 2.465613 338.1440       9.068183      329.4301       11.61861      346.7872       13.92108      181.1879 3.206232 185.7825 3.746607 -4.594559      4.931226 
1 1 1 21 3  26 o 110.2296 2.680184 122.2079       5.916281      119.8700       7.637110      124.5458       9.039845      109.2216 3.496155 111.2376 4.063305 -2.016037      5.360368 
1 1 1 21 3  27 o 111.1426 2.778079 124.3333       6.180533      123.0581       7.948828      125.6085       9.464915      110.6314 3.592482 111.6538 4.238509 -1.022392      5.556158 
1 1 1 21 3  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 3  29 o 58.27124 3.676848 34.50160       4.278340      36.98118       6.092685      32.02202       6.009089      60.39292 5.044205 56.14956 5.350966 4.243355       7.353696 
1 1 1 21 3  30 o 25.59306 6.031799 6.444077       3.703786      4.134524       5.121398      8.756464       5.352353      22.48819 8.429832 28.69793 8.629503 -6.209742      12.06360 
1 1 1 21 3  31 o 55.48730 3.703964 31.49777       4.100519      28.33807       5.715081      34.65038       5.881567      52.65946 5.426452 58.31514 5.042915 -5.655685      7.407927 
1 1 1 21 3  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 3  33 o 110.0329 2.564928 122.7747       5.644236      120.0826       7.998421      125.3960       7.962997      108.8223 3.674991 111.2434 3.579087 -2.421120      5.129856 
1 1 1 21 3  34 o 73.65014 3.119110 55.57804       4.593602      54.46577       6.526258      56.69031       6.465331      72.88657 4.476996 74.41370 4.344181 -1.527130      6.238221 
1 1 1 21 3  35 o 32.94510 5.984614 12.41916       3.975122      11.51234       5.707996      13.31889       5.534425      31.65035 8.736278 34.23983 8.181680 -2.589479      11.96923 
1 1 1 21 3  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 3  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 3  38 o 36.43304 5.353617 16.27314       3.920572      22.01868       6.150070      10.52759       4.865647      43.75166 7.028384 29.11442 8.077542 14.63724       10.70723 
1 1 1 21 3  39 o 16.84834 5.441329 -0.1500501E-01 4.067930      1.930531       6.888276      -1.960995      4.328640      19.67381 8.732511 14.02287 6.494265 5.650930       10.88266 
1 1 1 21 3  40 o 36.86318 5.793436 19.21321       4.856437      9.316141       7.686701      29.11737       5.939660      24.13800 9.919066 49.58836 5.988966 -25.45036      11.58687 
1 1 1 21 4  0  o 255.8834 3.505201 655.3179       17.93091      655.3179       17.93091      655.3179       17.93091      255.8834 3.505201 255.8834 3.505201 0.000000       0.000000 
1 1 1 21 4  1  o 138.9114 2.220565 193.0531       6.168490      193.9741       8.735210      192.1321       8.713958      139.2428 3.136683 138.5800 3.144018 0.6628418      4.441129 
1 1 1 21 4  2  o 386.8597 3.170589 1497.667       24.53369      1507.585       34.87708      1488.457       34.50869      388.0939 4.493382 385.6255 4.474379 2.468384       6.341179 
1 1 1 21 4  3  o 101.6565 2.435864 103.3631       4.952786      102.8672       6.996669      103.9299       7.010839      101.3952 3.450197 101.9178 3.439458 -0.5225601     4.871728 
1 1 1 21 4  4  o 351.9495 2.958719 1239.791       20.82848      1260.336       29.86833      1219.246       29.03944      354.8641 4.208417 349.0348 4.159963 5.829315       5.917438 
1 1 1 21 4  5  o 259.5258 2.477388 674.0211       12.85840      686.3481       18.46934      661.6231       17.90258      261.9052 3.525959 257.1464 3.481008 4.758789       4.954776 
1 1 1 21 4  6  o 329.6947 2.826158 1088.182       18.63228      1088.890       26.35441      1086.765       26.35441      329.8558 3.994837 329.5335 3.998744 0.3222961      5.652317 
1 1 1 21 4  7  o 268.2687 2.500727 720.4955       13.41808      705.7596       18.63937      734.6645       19.31240      265.5781 3.509206 270.9593 3.563708 -5.381195      5.001454 
1 1 1 21 4  8  o 64.05190 3.035260 41.10437       3.883733      43.52728       5.502545      38.68147       5.482000      65.94313 4.172190 62.16066 4.409541 3.782471       6.070520 
1 1 1 21 4  9  o 135.6092 2.232787 184.0558       6.060805      182.8514       7.382068      185.1893       9.613690      135.1896 2.730264 136.0288 3.533697 -0.8391571     4.465575 
1 1 1 21 4  10 f 368.8054 3.159019 1362.353       23.30806      1358.811       28.50810      1365.895       36.88200      368.3995 3.869183 369.2112 4.994702 -0.8117371     6.318039 
1 1 1 21 4  11 o 433.1028 3.568889 1880.231       30.92392      1875.272       37.78173      1885.190       48.96111      432.6605 4.366210 433.5450 5.646599 -0.8845520     7.137778 
1 1 1 21 4  12 o 85.53041 2.613149 73.25391       4.466789      73.67899       5.531591      72.82884       7.015089      85.79237 3.223825 85.26846 4.113532 0.5239029      5.226298 
1 1 1 21 4  13 o 61.77452 3.132931 38.29182       3.828474      41.24606       4.770715      35.34466       5.989960      64.17670 3.716859 59.37233 5.044403 4.804371       6.265863 
1 1 1 21 4  14 o 143.0868 2.600338 205.7344       7.254546      230.1760       8.267632      181.3637       11.91616      151.6517 2.725862 134.5220 4.429076 17.12975       5.200676 
1 1 1 21 4  15 o 357.0689 3.102124 1278.047       22.17454      1266.003       26.88575      1290.091       35.28090      355.4954 3.781448 358.6425 4.918673 -3.147064      6.204248 
1 1 1 21 4  16 o 108.3375 3.075902 117.8864       6.740210      128.7965       10.88890      107.0471       7.941744      113.3136 4.804766 103.3615 3.841733 9.952095       6.151803 
1 1 1 21 4  17 o 111.2448 2.348463 124.1208       5.268756      115.1943       6.311597      133.0472       8.437660      107.2591 2.942220 115.2305 3.661209 -7.971428      4.696926 
1 1 1 21 4  18 o 226.0009 3.577432 513.3442       15.92599      536.1563       13.86440      490.5320       28.67104      231.3628 2.996247 220.6390 6.497274 10.72377       7.154863 
1 1 1 21 4  19 o 68.49548 3.534938 47.16872       4.823848      47.89134       5.061180      46.44610       8.210957      69.10455 3.661973 67.88641 6.047570 1.218140       7.069876 
1 1 1 21 4  20 o 43.80607 5.019725 19.75164       4.310221      18.74563       4.345644      20.75764       7.445828      43.16862 5.033336 44.44352 8.686546 -1.274891      10.03945 
1 1 1 21 4  21 o 259.0143 2.981518 673.8085       15.44425      673.2417       16.44317      674.3752       26.14187      259.1494 3.172527 258.8793 5.049046 0.2700500      5.963036 
1 1 1 21 4  22 o 156.1086 2.682625 244.7701       8.352647      248.3124       9.500339      241.1570       13.73688      157.3697 3.018477 154.8474 4.435619 2.522339       5.365251 
1 1 1 21 4  23 o 76.74375 3.221137 59.30450       4.997419      56.13771       5.231208      62.46420       8.515590      74.79086 3.497224 78.69664 5.410390 -3.905777      6.442274 
1 1 1 21 4  24 o 76.15892 3.321604 58.47561       5.002378      61.05438       5.299220      55.89685       8.487252      77.97894 3.397853 74.33890 5.708487 3.640045       6.643209 
1 1 1 21 4  25 o 207.0746 2.748376 431.0221       11.32106      441.4363       12.39791      420.6787       18.94400      209.7918 2.954811 204.3575 4.635015 5.434372       5.496752 
1 1 1 21 4  26 o 140.0403 2.313473 196.9496       6.480917      202.9006       9.323226      191.0694       9.004422      142.1422 3.279543 137.9385 3.263926 4.203644       4.626945 
1 1 1 21 4  27 o 30.29563 6.232789 9.670367       4.038883      7.927575       5.695244      11.42024       5.728541      27.92142 8.990110 32.66984 8.635307 -4.748415      12.46558 
1 1 1 21 4  28 o 76.45334 3.367732 59.83583       5.087392      47.60796       7.042011      72.04955       7.346645      68.48156 5.141538 84.42512 4.350983 -15.94356      6.735464 
1 1 1 21 4  29 o 91.85426 2.731870 85.08506       5.020798      89.19408       7.289969      81.04688       6.905988      94.05108 3.875537 89.65744 3.851319 4.393639       5.463739 
1 1 1 21 4  30 o 75.07069 3.151852 57.11538       4.720414      54.64997       6.944245      59.58788       6.394486      73.38602 4.731313 76.75536 4.165498 -3.369347      6.303705 
1 1 1 21 4  31 o 78.69660 3.180319 62.90343       5.013005      64.53288       7.552096      61.26691       6.593561      79.65190 4.740688 77.74130 4.240706 1.910599       6.360638 
1 1 1 21 4  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 4  33 o 110.4301 2.715996 124.1208       6.032466      134.0391       9.351563      114.2024       7.622942      114.7395 4.075128 106.1207 3.591638 8.618820       5.431992 
1 1 1 21 4  34 o 82.67418 3.058555 70.05880       5.058346      70.22173       7.637110      69.89585       6.630400      82.62762 4.621403 82.72073 4.007702 -0.9310913E-01 6.117110 
1 1 1 21 4  35 o 67.44783 3.541789 47.38834       4.806845      54.33825       7.417490      40.44551       6.115356      72.36288 5.125204 62.53278 4.889720 9.830097       7.083578 
1 1 1 21 4  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 4  37 o 16.90829 5.392879 -0.8777718     3.861770      -0.6292469     5.830558      -1.126438      5.064013      17.62085 7.918537 16.19573 7.323208 1.425117       10.78576 
1 1 1 21 4  38 o 31.68512 5.942066 12.73088       3.841226      14.26822       5.816390      11.18645       5.019381      33.47425 8.634004 29.89598 8.166184 3.578274       11.88413 
1 1 1 21 4  39 o 62.29559 3.837967 43.42809       4.823848      47.35291       7.885069      39.51036       5.562763      64.20799 6.140254 60.38320 4.606218 3.824795       7.675935 
1 1 1 21 5  0  o 482.3140 5.342245 2328.681       51.51862      2328.681       51.51862      2328.681       51.51862      482.3140 5.342245 482.3140 5.342245 0.000000       0.000000 
1 1 1 21 5  1  o 328.4061 2.831897 1078.972       18.60394      1073.304       26.17729      1085.348       26.43233      327.4904 3.996650 329.3217 4.013148 -1.831268      5.663795 
1 1 1 21 5  2  o 407.8528 3.305503 1664.862       26.96367      1686.115       38.57520      1644.317       37.68963      410.4101 4.699592 405.2956 4.649648 5.114532       6.611005 
1 1 1 21 5  3  o 233.5260 2.370906 545.6496       11.07310      551.5297       15.81973      539.7693       15.50093      234.7838 3.369000 232.2683 3.336858 2.515457       4.741812 
1 1 1 21 5  4  o 270.9924 2.527222 735.3730       13.70146      710.5771       18.90149      759.4603       19.84373      266.4868 3.546422 275.4980 3.601429 -9.011261      5.054444 
1 1 1 21 5  5  o 396.6027 3.231652 1574.888       25.63179      1579.139       36.36483      1569.929       36.13813      397.1820 4.577855 396.0234 4.562625 1.158600       6.463305 
1 1 1 21 5  6  o 93.66195 2.563834 87.91887       4.847227      81.04688       5.742002      94.79085       7.814223      90.00291 3.189898 97.32098 4.014665 -7.318069      5.127668 
1 1 1 21 5  7  o 105.1013 2.452052 110.5185       5.168864      107.6847       6.347020      113.4231       8.161365      103.7448 3.058958 106.4577 3.833147 -2.712929      4.904104 
1 1 1 21 5  8  o 174.7847 2.257025 305.6970       7.877984      308.8850       9.783719      302.5089       12.35540      175.7092 2.784065 173.8602 3.553258 1.849075       4.514051 
1 1 1 21 5  9  o 187.0728 2.277685 350.2586       8.501422      356.5638       10.58427      343.9533       13.31181      188.7742 2.803421 185.3715 3.590575 3.402649       4.555370 
1 1 1 21 5  10 o 184.0413 2.276094 339.0650       8.366816      342.3947       10.34340      335.6644       13.15595      184.9754 2.795885 183.1073 3.592416 1.868088       4.552189 
1 1 1 21 5  11 o 212.9099 2.336746 453.8342       9.925409      463.4692       12.39082      444.1993       15.50801      215.1973 2.878945 210.6226 3.681469 4.574661       4.673493 
1 1 1 21 5  12 f 199.5139 2.308898 398.5750       9.188620      407.7140       11.37065      389.3651       14.43116      201.8382 2.816775 197.1896 3.659210 4.648544       4.617795 
1 1 1 21 5  13 o 103.3157 2.406779 106.9762       4.927282      114.6983       6.179117      99.32494       7.672533      107.0492 2.886111 99.58216 3.852363 7.467033       4.813558 
1 1 1 21 5  14 o 92.80029 2.548914 86.21858       4.739542      85.15590       5.734209      87.35210       7.545012      92.22765 3.108726 93.37292 4.040257 -1.145271      5.097827 
1 1 1 21 5  15 o 25.73111 5.666960 5.954537       3.516755      8.940661       4.225915      2.971955       5.623690      29.22665 7.254342 22.23556 8.708174 6.991087       11.33392 
1 1 1 21 5  16 o 173.5731 2.397461 301.8713       8.303054      311.7896       11.06602      291.8821       12.38374      176.4558 3.135635 170.6904 3.627544 5.765396       4.794922 
1 1 1 21 5  17 o 314.1029 3.283769 990.4156       20.70096      972.7043       21.79198      1007.418       35.20297      311.5807 3.497004 316.6251 5.559093 -5.044464      6.567538 
1 1 1 21 5  18 o 108.9932 3.736916 119.8700       7.785885      134.8184       6.648820      104.9217       14.07694      116.0200 2.865377 101.9663 6.902737 14.05364       7.473832 
1 1 1 21 5  19 o 53.83862 4.043170 29.31573       4.459704      25.65304       4.583683      32.97843       7.651280      50.53370 4.535274 57.14354 6.694789 -6.609840      8.086341 
1 1 1 21 5  20 o 290.4994 3.186406 848.7253       18.69604      811.1773       18.80939      885.5648       32.31248      284.4467 3.306313 296.5521 5.448029 -12.10544      6.372811 
1 1 1 21 5  21 o 98.58849 3.034900 97.83719       5.861730      107.2596       6.670074      88.48563       9.642029      103.4281 3.224496 93.74883 5.142480 9.679321       6.069800 
1 1 1 21 5  22 o 158.7182 2.658569 253.4132       8.281801      275.8003       9.351563      231.0970       13.66603      165.8761 2.818841 151.5603 4.508447 14.31572       5.317138 
1 1 1 21 5  23 o 152.8730 2.307878 234.4976       7.082392      227.2005       8.508506      241.7946       11.32814      150.5540 2.825732 155.1920 3.649718 -4.638016      4.615756 
1 1 1 21 5  24 o 191.7549 2.361178 369.1742       9.046929      370.8036       11.20771      367.5448       14.21154      192.2692 2.914587 191.2406 3.715620 1.028687       4.722356 
1 1 1 21 5  25 o 78.43661 2.982028 62.01787       4.701286      57.03745       6.014756      66.99120       7.226208      75.30959 3.993353 81.56364 4.429798 -6.254051      5.964057 
1 1 1 21 5  26 o 122.9100 2.542451 151.8921       6.237210      155.7885       8.189702      147.9247       9.408240      124.5522 3.287659 121.2679 3.879115 3.284332       5.084902 
1 1 1 21 5  27 o 147.3083 2.813231 218.6991       8.288886      222.8081       11.83114      214.5192       11.61152      148.7045 3.978072 145.9120 3.978948 2.792496       5.626463 
1 1 1 21 5  28 o 139.2665 2.598984 195.6744       7.204955      181.2928       10.56302      210.0560       9.797889      134.0640 3.939541 144.4689 3.391001 -10.40491      5.197968 
1 1 1 21 5  29 o 89.62939 2.970275 81.18858       5.314805      79.27575       7.962997      83.03055       7.042719      88.52708 4.497493 90.73170 3.881069 -2.204613      5.940550 
1 1 1 21 5  30 o 72.23061 3.259246 53.05595       4.726081      58.29850       7.176617      47.81341       6.153612      75.77963 4.735188 68.68157 4.479813 7.098061       6.518492 
1 1 1 21 5  31 o 47.76542 4.520214 23.55602       4.315888      23.44267       6.468873      23.66937       5.714372      47.55116 6.802014 47.97968 5.954992 -0.4285202     9.040427 
1 1 1 21 5  32 o 130.8453 3.163589 174.7042       8.253463      169.2491       12.51126      180.1593       10.76847      128.5646 4.865747 133.1260 4.044465 -4.561386      6.327179 
1 1 1 21 5  33 o 72.35570 3.331252 53.72898       4.835184      56.68323       7.367898      50.76765       6.266256      74.25139 4.961455 70.46001 4.446676 3.791382       6.662505 
1 1 1 21 5  34 o 69.25821 3.465866 49.96711       4.700578      41.33816       6.954871      58.58896       6.325766      62.92237 5.526550 75.59406 4.184037 -12.67169      6.931733 
1 1 1 21 5  35 f 100.6511 3.176882 104.4966       6.440535      110.8727       10.42133      98.19141       7.573349      103.3169 5.043376 97.98518 3.864538 5.331772       6.353763 
1 1 1 21 5  36 o 17.98339 5.575014 -0.7693786     4.160029      -5.752628      6.109688      4.214580       5.646361      14.93569 7.159144 21.03108 8.548085 -6.095399      11.15003 
1 1 1 21 5  37 o 22.94611 6.098505 5.727124       3.830599      7.431659       5.858188      4.023298       4.936492      25.14474 9.073691 20.74749 8.150777 4.397255       12.19701 
1 1 1 21 5  38 o 36.12795 5.534554 15.96850       3.897193      15.40883       5.933992      16.52818       5.052678      34.79976 8.571046 37.45614 7.004449 -2.656380      11.06911 
1 1 1 21 5  39 o 31.04898 5.853986 12.78047       3.840517      10.00334       5.761130      15.55052       5.080307      26.79449 9.048902 35.30348 7.429265 -8.508993      11.70797 
1 1 1 21 6  0  o 420.7352 4.796981 1771.838       40.35341      1771.838       40.35341      1771.838       40.35341      420.7352 4.796981 420.7352 4.796981 0.000000       0.000000 
1 1 1 21 6  1  o 318.3401 2.775498 1013.794       17.66879      1010.961       24.95167      1017.337       25.02960      317.8397 3.925197 318.8405 3.925098 -1.000732      5.550997 
1 1 1 21 6  2  o 137.2885 2.264853 188.8024       6.218790      200.8461       8.997337      176.6879       8.586436      141.6861 3.175096 132.8909 3.230634 8.795197       4.529705 
1 1 1 21 6  3  o 93.51839 2.648539 87.56464       4.937201      89.68999       6.103312      85.36844       7.764632      94.68109 3.223089 92.35570 4.203656 2.325394       5.297077 
1 1 1 21 6  4  o 218.8618 2.404964 479.4094       10.57010      463.6108       12.61044      495.2078       16.97450      215.2708 2.928972 222.4529 3.815303 -7.182144      4.809929 
1 1 1 21 6  5  o 58.44707 3.981555 34.89125       4.850060      25.31298       4.937201      44.46243       8.352647      50.28099 4.909610 66.61315 6.269518 -16.33216      7.963110 
1 1 1 21 6  6  o 375.5461 3.214555 1411.944       24.14404      1410.527       29.59203      1413.361       38.16430      375.4104 3.941291 375.6819 5.079337 -0.2715149     6.429109 
1 1 1 21 6  7  o 94.83643 2.527308 90.25676       4.843685      80.83435       5.816390      99.67917       7.750463      89.87925 3.235668 99.79359 3.883247 -9.914345      5.054617 
1 1 1 21 6  8  o 160.4031 2.260123 257.4514       7.240376      260.3560       8.912323      254.6176       11.41316      161.3116 2.762455 159.4946 3.577914 1.817017       4.520247 
1 1 1 21 6  9  o 114.0263 2.357319 130.1426       5.376441      130.0717       6.601354      130.2134       8.487252      114.0085 2.895115 114.0442 3.721037 -0.3569031E-01 4.714638 
1 1 1 21 6  10 o 339.3776 2.986192 1154.068       20.26880      1152.651       24.78873      1154.776       32.07870      339.2932 3.652995 339.4620 4.724932 -0.1687622     5.972383 
1 1 1 21 6  11 o 204.5418 2.317697 418.8367       9.464915      424.2209       11.71779      413.4525       14.87040      205.8834 2.845735 203.2002 3.659053 2.683243       4.635394 
1 1 1 21 6  12 o 208.9208 2.357428 437.1147       9.889987      424.5043       11.74613      449.6544       15.91183      205.9473 2.851732 211.8942 3.754664 -5.946854      4.714857 
1 1 1 21 6  13 o 18.66714 5.653887 -0.4381774     3.875231      0.8961915      4.242209      -1.772546      6.485876      17.81298 7.352431 19.52129 8.591129 -1.708309      11.30777 
1 1 1 21 6  14 o 382.2458 3.738983 1465.787       28.62145      1455.160       30.31465      1477.122       48.55729      381.0971 3.977287 383.3945 6.332549 -2.297333      7.477967 
1 1 1 21 6  15 o 293.0947 3.260809 861.4774       19.14237      852.9760       21.96909      869.9788       31.35607      291.7851 3.764601 294.4043 5.325344 -2.619171      6.521618 
1 1 1 21 6  16 o 182.3901 2.814152 333.0432       10.26547      333.0432       10.26547      ?              ?             182.3901 2.814152 ?        ?        ?              ?        
1 1 1 21 6  17 o 54.73518 4.408677 30.83891       4.575890      40.00627       6.065764      21.67862       6.852854      63.12609 4.804483 46.34428 7.393419 16.78181       8.817353 
1 1 1 21 6  18 o 108.8972 2.761148 119.0199       6.075682      113.6357       6.171323      124.4041       10.46383      106.5088 2.897096 111.2857 4.701339 -4.776909      5.522296 
1 1 1 21 6  19 o 129.7643 2.690412 169.3200       6.828767      185.4727       7.509589      153.1673       11.40607      136.0696 2.759466 123.4591 4.619374 12.61053       5.380825 
1 1 1 21 6  20 o 105.2039 2.825988 111.0852       5.901403      114.5566       6.253504      107.6847       10.01042      106.9229 2.924305 103.4849 4.836659 3.438011       5.651976 
1 1 1 21 6  21 o 272.0861 2.945069 743.8744       16.02518      755.2096       22.51460      732.5391       22.80506      274.1774 4.105845 269.9948 4.223242 4.182678       5.890139 
1 1 1 21 6  22 o 100.2866 2.619952 101.0252       5.276549      95.64099       6.683534      106.4803       8.168448      97.62553 3.423046 102.9476 3.967285 -5.322067      5.239904 
1 1 1 21 6  23 o 46.71510 4.521391 22.90425       3.890109      29.76206       5.207829      16.05352       5.779550      54.36090 4.790050 39.06931 7.669899 15.29159       9.042783 
1 1 1 21 6  24 o 163.7897 2.398836 269.4242       7.870899      262.9065       10.11669      275.8711       12.06493      161.8683 3.124975 165.7110 3.640354 -3.842636      4.797671 
1 1 1 21 6  25 o 26.13349 5.959166 6.429908       3.738500      9.231127       4.917363      3.630107       5.632192      29.53812 8.089133 22.72886 8.752860 6.809263       11.91833 
1 1 1 21 6  26 o 107.6601 2.628029 116.5403       5.653445      117.3905       7.452912      115.6902       8.508506      108.0935 3.447437 107.2266 3.967534 0.8668976      5.256058 
1 1 1 21 6  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 6  28 o 24.04166 6.231575 4.974040       3.950327      5.012296       5.009462      4.936492       6.108980      23.52356 8.400383 24.55976 9.206718 -1.036203      12.46315 
1 1 1 21 6  29 o 109.0966 2.700937 120.0826       5.905654      123.5540       9.039845      116.6112       7.601687      110.6059 4.086512 107.5873 3.532799 3.018562       5.401874 
1 1 1 21 6  30 o 100.2153 2.607842 101.4503       5.219164      96.27859       7.481250      106.6220       7.275800      97.62183 3.831751 102.8089 3.538508 -5.187027      5.215684 
1 1 1 21 6  31 o 76.34425 3.120351 59.36118       4.745210      54.03362       6.768548      64.69582       6.653780      72.84205 4.646045 79.84647 4.166608 -7.004417      6.240702 
1 1 1 21 6  32 o 106.0707 2.788930 114.2024       5.911322      113.2106       8.940661      115.1943       7.736294      105.4887 4.237733 106.6526 3.626865 -1.163887      5.577861 
1 1 1 21 6  33 o 52.64713 4.204678 28.94734       4.452619      32.26289       6.851437      25.63887       5.688159      55.59224 6.162224 49.70203 5.722261 5.890217       8.409356 
1 1 1 21 6  34 o 79.72696 3.210102 65.58138       5.116439      65.66639       7.722124      65.49637       6.717540      79.60509 4.850271 79.84884 4.206411 -0.2437515     6.420204 
1 1 1 21 6  35 o 57.24195 4.356241 35.45801       5.002378      37.36375       7.630026      33.54519       6.469582      58.52815 6.518253 55.95576 5.780980 2.572395       8.712482 
1 1 1 21 6  36 o 44.08242 4.935861 21.53693       4.360521      22.83340       6.510672      20.24755       5.802220      45.27654 7.189895 42.88829 6.764339 2.388248       9.871721 
1 1 1 21 6  37 o 41.09991 5.240232 19.68079       4.179157      21.98326       6.498628      17.38541       5.256712      43.26513 7.794696 38.93470 7.005916 4.330433       10.48046 
1 1 1 21 6  38 o 70.69460 3.116823 53.35350       4.401611      59.27616       6.424950      47.43085       6.018298      74.73512 4.298481 66.65407 4.514577 8.081055       6.233645 
1 1 1 21 6  39 o 28.72344 5.723165 10.97392       3.555011      8.175533       5.129191      13.77230       4.924448      24.60353 8.527911 32.84336 7.634998 -8.239836      11.44633 
1 1 1 21 7  0  o 123.5516 3.336871 153.0256       8.232210      153.0256       8.232210      153.0256       8.232210      123.5516 3.336871 123.5516 3.336871 0.000000       0.000000 
1 1 1 21 7  1  o 191.3731 2.287755 366.5529       8.763549      381.9972       12.66712      351.1795       12.10036      195.3967 3.241385 187.3495 3.229354 8.047195       4.575511 
1 1 1 21 7  2  o 160.5263 2.427311 257.8056       7.785885      259.2934       10.25130      256.3887       11.73196      160.9850 3.183929 160.0676 3.664690 0.9174347      4.854622 
1 1 1 21 7  3  o 191.9813 2.321578 368.8200       8.926493      364.4984       10.85348      373.0707       14.17612      190.8789 2.843029 193.0837 3.670979 -2.204819      4.643156 
1 1 1 21 7  4  o 245.7742 2.514564 604.5219       12.32706      617.1323       15.33090      591.9114       19.31240      248.3584 3.086447 243.1900 3.970639 5.168350       5.029128 
1 1 1 21 7  5  o 189.5242 2.326613 359.5393       8.777717      372.9290       10.98809      346.1495       13.69437      193.0692 2.845635 185.9792 3.681695 7.090012       4.653227 
1 1 1 21 7  6  o 236.7213 2.469913 560.9521       11.64695      579.5135       14.62953      542.3907       18.12928      240.6609 3.039449 232.7817 3.894052 7.879181       4.939826 
1 1 1 21 7  7  o 166.7841 2.263430 278.4215       7.559181      275.0210       9.174451      281.7513       12.02243      165.7917 2.766861 167.7766 3.582868 -1.984924      4.526860 
1 1 1 21 7  8  o 75.26529 2.881761 57.09413       4.403736      47.99052       5.209954      66.19773       7.098687      69.23389 3.762575 81.29670 4.365913 -12.06281      5.763521 
1 1 1 21 7  9  o 93.62994 2.588835 87.77718       4.852895      87.06872       5.924782      88.48563       7.686701      93.26660 3.176262 93.99329 4.088964 -0.7266846     5.177670 
1 1 1 21 7  10 o 118.7866 2.329785 141.4778       5.484125      151.8212       6.916615      131.0636       8.508506      123.1680 2.807797 114.4052 3.718585 8.762802       4.659571 
1 1 1 21 7  11 o 173.0639 2.598753 300.1710       8.876901      318.6616       9.967916      281.7513       14.70037      178.4393 2.793084 167.6886 4.383235 10.75064       5.197506 
1 1 1 21 7  12 o 30.18444 6.001170 9.018591       4.023298      10.59135       4.242918      7.438744       6.837976      31.84665 6.857650 28.52223 9.850320 3.324413       12.00234 
1 1 1 21 7  13 o 100.9931 3.645420 104.0007       6.728167      130.7802       6.539719      77.29209       11.76030      114.3038 2.860675 87.68253 6.706182 26.62123       7.290840 
1 1 1 21 7  14 o 139.9581 2.621732 196.2411       7.360813      192.9823       7.658363      199.5000       12.58210      138.8507 2.757770 141.0655 4.459666 -2.214859      5.243464 
1 1 1 21 7  15 o 151.1600 2.688104 229.1133       8.069265      240.0943       9.804973      218.0614       12.81589      154.8428 3.166106 147.4772 4.345041 7.365570       5.376207 
1 1 1 21 7  16 o 108.6220 2.772195 118.2406       6.000587      120.0826       6.504296      116.4695       10.08835      109.5069 2.969810 107.7371 4.681932 1.769859       5.544390 
1 1 1 21 7  17 o 104.0066 3.790449 109.0307       7.672533      120.2951       8.125941      97.76635       13.02134      109.5382 3.709182 98.47491 6.611503 11.06330       7.580897 
1 1 1 21 7  18 o 121.8433 2.412434 148.8457       5.887943      146.1536       7.545012      151.5378       9.039845      120.7662 3.123810 122.9204 3.677112 -2.154282      4.824868 
1 1 1 21 7  19 o 62.14361 3.794264 39.16322       4.836601      32.61712       5.209246      45.70223       8.154280      56.97221 4.571743 67.31501 6.056807 -10.34280      7.588527 
1 1 1 21 7  20 o 163.6522 2.400296 268.5741       7.842561      274.5251       10.27255      262.6939       11.85240      165.4923 3.103633 161.8120 3.662397 3.680298       4.800592 
1 1 1 21 7  21 o 144.0103 2.414460 208.0723       6.942828      211.6145       8.990252      204.6009       10.58427      145.2673 3.094383 142.7533 3.707190 2.514023       4.828919 
1 1 1 21 7  22 o 77.36940 3.002681 60.25382       4.607062      64.61080       5.887943      55.89685       7.084518      80.22201 3.669780 74.51679 4.753639 5.705215       6.005362 
1 1 1 21 7  23 o 124.3723 2.460760 155.2926       6.117482      156.4261       8.005506      154.2299       9.252379      124.8508 3.206029 123.8938 3.733997 0.9570160      4.921519 
1 1 1 21 7  24 o 166.1147 2.429062 277.0047       8.069265      277.3589       10.45675      276.7213       12.29164      166.2637 3.144628 165.9657 3.703065 0.2979584      4.858124 
1 1 1 21 7  25 o 88.49052 2.865095 78.77983       5.067555      79.55913       6.627566      78.07139       7.665448      88.95225 3.725351 88.02879 4.353944 0.9234543      5.730189 
1 1 1 21 7  26 o 70.65169 3.265019 50.44176       4.646027      46.33275       5.776008      54.55787       7.275800      67.81317 4.258765 73.49021 4.950183 -5.677040      6.530037 
1 1 1 21 7  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 7  28 o 69.35135 3.214134 48.68481       4.489459      45.63138       5.396986      51.74532       7.176617      67.25710 4.012206 71.44559 5.022435 -4.188499      6.428269 
1 1 1 21 7  29 o 86.82664 2.843279 76.15857       4.942868      75.02505       6.443369      77.29209       7.495420      86.24014 3.735714 87.41315 4.287353 -1.173012      5.686559 
1 1 1 21 7  30 o 74.47366 3.476157 56.46361       5.170281      53.99820       7.417490      58.92194       7.204955      72.80192 5.094296 76.14542 4.731050 -3.343498      6.952315 
1 1 1 21 7  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 7  32 o 74.56482 3.374786 56.93119       4.998127      51.73824       7.346645      62.12413       6.774216      71.01718 5.172442 78.11246 4.336194 -7.095284      6.749573 
1 1 1 21 7  33 o 53.55290 4.129688 30.06669       4.462538      35.38717       7.003046      24.74622       5.534425      58.26898 6.009240 48.83681 5.666244 9.432167       8.259376 
1 1 1 21 7  34 o 85.36052 3.056485 75.02505       5.204995      73.53729       7.977167      76.44194       6.689910      84.29412 4.731746 86.42693 3.870270 -2.132805      6.112970 
1 1 1 21 7  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 7  36 f 62.02073 9.132547 45.68806       11.32814      45.68806       11.32814      ?              ?             62.02073 9.132547 ?        ?        ?              ?        
1 1 1 21 7  37 o 33.55691 5.695432 13.78647       3.823514      17.15162       5.703037      10.42841       5.093768      37.98659 7.774830 29.12723 8.324889 8.859356       11.39086 
1 1 1 21 7  38 o 41.71065 4.885719 20.81431       3.896485      26.63070       5.725707      14.99793       5.287176      48.71778 5.876404 34.70351 7.806976 14.01427       9.771438 
1 1 1 21 7  39 o 24.05839 5.697655 7.459997       3.502585      3.885858       5.079599      11.03059       4.823140      19.47296 8.041990 28.64381 8.073381 -9.170853      11.39531 
1 1 1 21 8  0  o 209.8587 3.795541 441.0112       15.91891      441.0112       15.91891      441.0112       15.91891      209.8587 3.795541 209.8587 3.795541 0.000000       0.000000 
1 1 1 21 8  1  o 319.7022 2.811834 1023.004       17.98050      1032.923       25.60345      1013.086       25.24922      321.2515 3.984954 318.1530 3.968095 3.098511       5.623667 
1 1 1 21 8  2  o 321.7963 2.830132 1036.465       18.21429      1030.797       25.63887      1042.133       25.87974      320.9170 3.994626 322.6756 4.010180 -1.758545      5.660264 
1 1 1 21 8  3  o 131.8290 2.298594 173.9249       6.057971      180.6552       8.650196      167.2655       8.487252      134.3675 3.218858 129.2906 3.282240 5.076904       4.597189 
1 1 1 21 8  4  o 119.5855 2.371136 143.1073       5.673282      143.4615       7.955913      142.7530       8.083434      119.7343 3.322320 119.4368 3.383981 0.2975464      4.742272 
1 1 1 21 8  5  o 108.4000 2.421554 117.6030       5.250336      118.8074       7.474166      116.3986       7.374983      108.9550 3.429933 107.8451 3.419248 1.109879       4.843108 
1 1 1 21 8  6  o 248.7744 2.455664 619.4702       12.22079      623.8626       17.37832      615.0778       17.17996      249.6559 3.480455 247.8930 3.465196 1.762939       4.911329 
1 1 1 21 8  7  o 206.8462 2.641112 428.4008       10.92433      421.3871       15.37340      435.4145       15.52926      205.1520 3.746832 208.5403 3.723325 -3.388229      5.282225 
1 1 1 21 8  8  o 80.41527 2.888810 64.83751       4.612021      69.10947       5.926908      60.56554       7.067515      83.08231 3.566889 77.74822 4.545130 5.334091       5.777621 
1 1 1 21 8  9  o 268.3154 2.995902 721.2039       16.08185      719.7870       17.14453      722.6208       27.21163      268.1537 3.196774 268.4771 5.067776 -0.3233948     5.991804 
1 1 1 21 8  10 o 60.82537 3.808226 37.11579       4.659488      36.03186       4.891860      38.19972       7.934660      59.97545 4.078218 61.67529 6.432609 -1.699837      7.616451 
1 1 1 21 8  11 o 35.96788 5.527842 13.18429       4.043134      18.80939       4.402319      7.566265       6.783425      43.30930 5.082418 28.62646 9.818205 14.68284       11.05568 
1 1 1 21 8  12 o 146.2342 2.678707 214.3067       7.771716      223.9416       9.068183      204.6717       12.62461      149.5669 3.031480 142.9015 4.417241 6.665375       5.357415 
1 1 1 21 8  13 o 196.0219 2.750865 384.9727       10.77555      385.9645       12.39082      383.9809       17.64045      196.3377 3.155488 195.7060 4.506875 0.6316376      5.501729 
1 1 1 21 8  14 o 62.85622 3.877326 39.76540       4.777090      43.76107       5.544343      35.76973       7.778800      66.07430 4.195538 59.63815 6.521665 6.436142       7.754653 
1 1 1 21 8  15 f 48.33329 4.889295 23.52768       4.733166      23.10970       5.997045      23.94567       7.325392      47.93460 6.255445 48.73198 7.515999 -0.7973862     9.778590 
1 1 1 21 8  16 o 98.25436 2.591115 96.84536       5.114314      91.24860       6.466040      102.4421       7.927575      95.42941 3.387865 101.0793 3.921463 -5.649895      5.182230 
1 1 1 21 8  17 o 64.57906 3.847005 41.97577       4.923739      43.69731       5.504670      40.24714       8.168448      65.98673 4.171043 63.17140 6.465307 2.815334       7.694010 
1 1 1 21 8  18 o 90.43669 2.728352 82.18040       4.959870      76.08772       6.320098      88.27309       7.644195      87.09740 3.628178 93.77599 4.075774 -6.678581      5.456703 
1 1 1 21 8  19 o 183.2030 2.467517 336.6563       9.018591      348.0623       11.88074      325.3210       13.56685      186.3409 3.187904 180.0652 3.767205 6.275696       4.935035 
1 1 1 21 8  20 o 99.87268 2.587373 100.1042       5.170990      99.18325       6.636068      101.0252       7.934660      99.44319 3.336612 100.3022 3.955379 -0.8589706     5.174747 
1 1 1 21 8  21 o 59.70711 3.315523 35.93267       3.993543      33.43184       4.724665      38.42642       6.439118      57.67575 4.095886 61.73847 5.214835 -4.062721      6.631047 
1 1 1 21 8  22 o 27.52460 5.853615 7.637110       3.576265      8.969000       4.485208      6.301678       5.571265      29.15941 7.610465 25.88979 8.896070 3.269623       11.70723 
1 1 1 21 8  23 o 305.3033 2.875780 937.9902       17.54835      942.2409       21.57944      933.0310       27.67213      306.2780 3.522852 304.3287 4.546422 1.949310       5.751560 
1 1 1 21 8  24 o 107.8661 2.643778 116.9654       5.684617      121.1453       7.438744      112.7855       8.600604      109.8421 3.386109 105.8901 4.061098 3.951935       5.287556 
1 1 1 21 8  25 o 219.2330 2.501904 483.0224       10.96683      482.6682       13.38974      483.3058       17.37832      219.2973 3.052874 219.1687 3.964600 0.1286011      5.003808 
1 1 1 21 8  26 o 55.38251 4.301510 31.21438       4.781341      30.13046       5.916989      32.29123       7.509589      54.51931 5.426508 56.24572 6.675698 -1.726410      8.603020 
1 1 1 21 8  27 o 121.8718 2.709569 149.9084       6.558138      159.4725       8.465999      140.3443       10.01751      125.8791 3.362749 117.8645 4.249585 8.014595       5.419138 
1 1 1 21 8  28 o 28.38661 6.203497 8.345562       3.932616      9.195704       5.054803      7.488335       6.026091      29.34037 8.263477 27.43286 9.254645 1.907515       12.40699 
1 1 1 21 8  29 o 77.99764 3.162355 61.74158       4.888317      66.91327       6.404404      56.56987       7.389152      81.38493 3.934638 74.61036 4.951827 6.774567       6.324711 
1 1 1 21 8  30 o 133.3070 2.534036 179.4508       6.760046      177.7505       8.699788      181.1511       10.35048      132.7816 3.275977 133.8325 3.866954 -1.050873      5.068072 
1 1 1 21 8  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 8  32 f 66.83283 3.384780 46.26190       4.516380      55.98186       6.833726      36.54194       5.907779      73.98745 4.618165 59.67821 4.949696 14.30924       6.769560 
1 1 1 21 8  33 o 83.62023 2.931618 71.62447       4.879816      64.85876       6.986751      78.35477       6.813890      79.56258 4.390727 87.67789 3.885751 -8.115311      5.863237 
1 1 1 21 8  34 o 74.82763 3.157007 57.68923       4.727499      61.48653       6.917324      53.88484       6.446911      77.29063 4.474879 72.36463 4.454463 4.925995       6.314014 
1 1 1 21 8  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 8  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 8  37 o 66.83841 4.503798 50.20089       6.083476      54.97586       10.59844      45.42593       5.980042      68.28069 7.760934 65.39613 4.572168 2.884567       9.007597 
1 1 1 21 8  38 o 28.03252 6.078232 9.117774       4.884775      4.670114       8.650196      13.56685       4.534800      22.61090 9.936342 33.45414 7.003479 -10.84325      12.15646 
1 1 1 21 8  39 o 22.72733 6.051363 6.112522       4.536926      3.968747       8.012589      8.253463       4.250711      20.73619 9.301571 24.71848 7.743174 -3.982292      12.10273 
1 1 1 21 9  0  o 136.2825 3.250511 186.1103       8.848563      186.1103       8.848563      186.1103       8.848563      136.2825 3.250511 136.2825 3.250511 0.000000       0.000000 
1 1 1 21 9  1  o 119.6574 2.378166 143.8157       5.686742      126.9546       7.729208      160.6060       8.345562      112.6301 3.431237 126.6848 3.293829 -14.05471      4.756332 
1 1 1 21 9  2  o 189.1548 2.282953 358.0515       8.636027      357.2722       12.27747      358.8308       12.14995      188.9481 3.248900 189.3615 3.208136 -0.4134064     4.565906 
1 1 1 21 9  3  o 220.0717 2.372313 484.7935       10.44258      497.4749       15.07585      472.1123       14.45950      222.9491 3.381008 217.1943 3.328702 5.754822       4.744626 
1 1 1 21 9  4  o 460.2620 3.659735 2122.521       33.68688      2138.816       47.94802      2106.936       47.33875      461.9875 5.189320 458.5365 5.161939 3.450989       7.319470 
1 1 1 21 9  5  o 102.2124 2.540933 104.9926       5.181617      118.5948       7.552096      91.46112       7.098687      108.8455 3.469181 95.57923 3.713509 13.26629       5.081866 
1 1 1 21 9  6  o 282.6011 2.833594 799.8421       16.00393      810.4688       21.18271      789.2153       23.98818      284.5069 3.722706 280.6953 4.272994 3.811646       5.667187 
1 1 1 21 9  7  o 252.7355 2.697193 639.8028       13.65895      622.2332       17.64754      657.3016       20.85682      249.2960 3.539474 256.1750 4.070815 -6.879028      5.394387 
1 1 1 21 9  8  o 129.6465 2.622344 168.3990       6.803263      162.4480       9.351563      174.2791       9.882903      127.3699 3.671025 131.9230 3.745709 -4.553070      5.244689 
1 1 1 21 9  9  o 152.4564 2.848158 233.2932       8.756464      212.3230       10.70471      254.2634       13.86440      145.6117 3.675770 159.3010 4.351636 -13.68927      5.696317 
1 1 1 21 9  10 o 294.7080 3.096225 870.6873       18.24972      872.1042       25.87974      868.5620       25.73805      295.0068 4.386296 294.4092 4.371136 0.5975952      6.192449 
1 1 1 21 9  11 o 173.5171 2.852211 301.8713       9.854564      318.3782       13.00009      285.3644       14.80664      178.2946 3.645677 168.7396 4.387424 9.554993       5.704423 
1 1 1 21 9  12 o 127.7133 2.854972 163.7941       7.226208      179.1674       9.557014      148.4207       10.83931      133.7478 3.572774 121.6787 4.454072 12.06913       5.709944 
1 1 1 21 9  13 f 72.10242 3.079786 52.26249       4.451911      57.75299       6.681408      46.77198       5.886526      75.89842 4.401546 68.30642 4.308911 7.592003       6.159572 
1 1 1 21 9  14 o 163.2048 2.416963 266.8029       7.892153      266.8029       11.95158      266.8029       10.30089      163.1846 3.661981 163.2249 3.155429 -0.4022217E-01 4.833926 
1 1 1 21 9  15 o 263.3700 2.754725 695.6288       14.55868      722.6208       22.54293      668.6368       18.42683      268.4288 4.199053 258.3112 3.566789 10.11761       5.509449 
1 1 1 21 9  16 o 89.74224 2.582609 80.83435       4.627607      86.21858       6.548220      75.45012       6.541135      92.74195 3.530344 86.74253 3.770432 5.999420       5.165218 
1 1 1 21 9  17 o 69.82295 2.816679 48.96819       3.911362      51.97202       5.144777      45.96435       5.892902      71.99030 3.573243 67.65561 4.355072 4.334686       5.633358 
1 1 1 21 9  18 o 50.97896 3.712079 26.17021       3.790217      24.98001       5.088809      27.36041       5.618731      49.82792 5.106383 52.12999 5.389154 -2.302067      7.424159 
1 1 1 21 9  19 o 221.7817 2.474483 493.4366       11.01642      481.2513       13.06385      505.6221       17.73255      219.1345 2.980784 224.4289 3.950593 -5.294449      4.948966 
1 1 1 21 9  20 o 123.4772 2.404504 153.0964       5.973666      146.0827       7.091603      160.0392       9.613690      120.7134 2.937371 126.2409 3.807677 -5.527466      4.809007 
1 1 1 21 9  21 o 69.65018 3.101432 48.81233       4.288259      51.28483       5.256712      46.34692       6.776341      71.47099 3.677515 67.82938 4.995138 3.641609       6.202864 
1 1 1 21 9  22 o 184.9351 2.458396 343.3866       9.096521      342.9615       11.75322      343.8116       13.87857      184.8814 3.178582 184.9887 3.751195 -0.1072235     4.916792 
1 1 1 21 9  23 o 53.87806 3.905465 29.37241       4.237250      27.18330       5.220581      31.56153       6.675741      51.91483 5.028025 55.84129 5.977424 -3.926464      7.810930 
1 1 1 21 9  24 o 81.17163 3.051088 66.43153       4.984667      61.97536       6.177700      70.91602       7.821308      78.48724 3.935480 83.85603 4.663534 -5.368782      6.102176 
1 1 1 21 9  25 f 209.2738 2.408319 440.0903       10.07418      455.8887       14.21154      424.3626       14.28239      213.0424 3.335379 205.5053 3.474944 7.537079       4.816637 
1 1 1 21 9  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 9  27 o 97.34077 2.676536 95.49931       5.204995      97.19958       7.046261      93.79901       7.665448      98.24603 3.586028 96.43552 3.974391 1.810516       5.353072 
1 1 1 21 9  28 o 24.50194 6.079193 5.110063       3.937575      9.146112       5.777424      1.071179       5.350936      29.39861 8.990928 19.60526 8.184715 9.793343       12.15839 
1 1 1 21 9  29 o 31.96208 5.914814 11.10144       3.983624      15.44425       5.714372      6.751545       5.552136      37.86697 7.812032 26.05719 8.883256 11.80978       11.82963 
1 1 1 21 9  30 o 37.55154 5.556686 15.40174       4.050928      18.09386       5.834808      12.70963       5.620856      41.06445 7.372156 34.03864 8.316150 7.025803       11.11337 
1 1 1 21 9  31 o 26.19371 6.009500 6.706913       3.928365      11.42024       5.676824      1.991458       5.430991      32.06152 8.652061 20.32590 8.342553 11.73562       12.01900 
1 1 1 21 9  32 o 83.59503 3.130426 71.55363       5.200036      67.15415       7.885069      75.87518       6.780592      80.84736 4.876516 86.34271 3.926557 -5.495354      6.260851 
1 1 1 21 9  33 o 42.90371 6.471954 20.87099       5.571265      17.93091       9.960832      23.81107       4.993168      37.96006 11.84564 47.84736 5.217809 -9.887295      12.94391 
1 1 1 21 9  34 o 40.92682 6.227712 18.37016       5.739168      6.507838       10.13795      30.22964       5.377149      27.89651 11.41531 53.95712 4.982798 -26.06062      12.45542 
1 1 1 21 9  35 o 26.54814 5.628881 -2.083557      6.315140      -20.33257      11.44858      16.16687       5.341726      16.66527 8.321694 36.43102 7.581992 -19.76575      11.25776 
1 1 1 21 9  36 o 24.78476 6.774770 6.542552       5.290009      6.447619       9.493254      6.637485       4.674365      25.69775 10.82375 23.87177 8.150856 1.825977       13.54954 
1 1 1 21 9  37 o 35.41013 5.953462 14.84206       5.233334      7.119940       9.309056      22.56419       4.789134      25.26641 10.68379 45.55384 5.256564 -20.28743      11.90692 
1 1 1 21 9  38 o 22.09142 6.311260 5.391318       4.823848      5.151153       8.643111      5.631483       4.293218      22.68172 9.950078 21.50112 7.766849 1.180599       12.62252 
1 1 1 21 10 0  o 90.89237 3.819019 83.10139       6.915907      83.10139       6.915907      83.10139       6.915907      90.89237 3.819019 90.89237 3.819019 0.000000       0.000000 
1 1 1 21 10 1  o 273.0726 2.588703 746.7082       14.14070      724.0377       19.53202      769.3787       20.46009      268.9288 3.631447 277.2164 3.690274 -8.287567      5.177406 
1 1 1 21 10 2  o 135.3710 2.465782 183.4182       6.682117      185.6144       10.07418      181.2928       8.777717      136.1593 3.699411 134.5828 3.261085 1.576538       4.931563 
1 1 1 21 10 3  o 177.1507 2.636224 314.1984       9.337394      309.5226       13.09927      318.9450       13.31889      175.8228 3.725135 178.4786 3.731230 -2.655746      5.272448 
1 1 1 21 10 4  o 49.54799 4.713322 24.68246       4.672239      22.93967       6.402279      26.42525       6.806097      47.79557 6.697566 51.30041 6.633569 -3.504837      9.426644 
1 1 1 21 10 5  o 274.5078 2.994652 754.5012       16.44317      760.8772       23.40016      748.8336       23.10261      275.6016 4.245288 273.4139 4.224842 2.187622       5.989304 
1 1 1 21 10 6  o 169.5950 2.614889 288.1273       8.869816      276.5796       12.29872      299.6751       12.78755      166.1949 3.700091 172.9950 3.695931 -6.800140      5.229778 
1 1 1 21 10 7  o 186.7913 2.638268 349.4084       9.854564      346.2204       13.81481      352.5965       14.06277      185.9403 3.714852 187.6423 3.747227 -1.702057      5.276536 
1 1 1 21 10 8  o 189.2035 2.619873 358.5474       9.911241      363.5066       14.12653      353.5175       13.91399      190.5213 3.707335 187.8857 3.702782 2.635681       5.239745 
1 1 1 21 10 9  o 97.63362 2.870707 95.49931       5.605271      94.36578       7.821308      96.63282       8.033843      97.05550 4.029296 98.21175 4.090062 -1.156250      5.741414 
1 1 1 21 10 10 o 303.8047 2.957181 925.2380       17.95217      914.6113       26.93534      935.1564       23.74730      302.0753 4.458381 305.5342 3.886194 -3.458862      5.914361 
1 1 1 21 10 11 o 61.07160 3.456129 37.53378       4.232999      41.80574       6.370398      33.25473       5.575515      64.55995 4.933708 57.58326 4.841265 6.976696       6.912258 
1 1 1 21 10 12 o 38.28317 6.157121 15.75597       4.726081      10.12378       5.800095      21.39524       7.459997      31.25305 8.867722 45.31330 8.544243 -14.06025      12.31424 
1 1 1 21 10 13 o 42.60383 4.541604 18.83773       3.671905      23.61978       5.185159      14.04860       5.200744      48.50229 5.345272 36.70536 7.343891 11.79692       9.083208 
1 1 1 21 10 14 o 23.28117 5.827586 4.522048       3.484166      6.671490       4.923031      2.371896       4.931533      26.00480 8.356983 20.55755 8.124278 5.447247       11.65517 
1 1 1 21 10 15 o 25.81797 5.934220 6.535468       3.507545      6.547511       5.084558      6.523424       4.833058      25.92728 8.500971 25.70866 8.282112 0.2186165      11.86844 
1 1 1 21 10 16 o 159.6954 2.822901 256.1762       8.919409      273.3915       10.76847      238.9608       14.21863      165.1578 3.260055 154.2331 4.609459 10.92462       5.645802 
1 1 1 21 10 17 o 123.3240 2.396699 152.5297       5.909905      152.8130       8.310139      152.1754       8.409323      123.4552 3.365650 123.1928 3.413074 0.2624130      4.793399 
1 1 1 21 10 18 o 188.9349 2.863835 358.3349       10.83931      362.0897       17.72546      354.6509       12.47583      189.7943 4.669652 188.0755 3.316709 1.718735       5.727670 
1 1 1 21 10 19 o 108.3895 2.494612 118.1698       5.401237      107.2596       7.467082      129.0091       7.807138      103.3812 3.611432 113.3977 3.442370 -10.01657      4.989223 
1 1 1 21 10 20 o 184.0548 2.511029 340.2694       9.216957      358.1224       12.51126      322.4164       13.53143      188.9317 3.311054 179.1779 3.775976 9.753784       5.022058 
1 1 1 21 10 21 o 56.88678 3.739685 32.64546       4.257087      33.91359       6.186910      31.37733       5.848978      57.98796 5.334650 55.78560 5.242373 2.202362       7.479369 
1 1 1 21 10 22 o 171.1896 2.478172 294.3617       8.494337      301.6588       12.83715      287.1355       11.13686      173.2571 3.704652 169.1221 3.292552 4.135040       4.956344 
1 1 1 21 10 23 o 146.5571 2.487735 215.7944       7.282885      210.4810       10.81097      221.0369       9.755382      144.7238 3.735036 148.3905 3.287065 -3.666641      4.975469 
1 1 1 21 10 24 o 125.2555 2.621329 157.8430       6.586476      165.9902       9.953747      149.6959       8.621859      128.4592 3.874283 122.0517 3.532051 6.407524       5.242657 
1 1 1 21 10 25 o 36.28308 6.222486 14.18321       4.575181      9.691620       6.563097      18.67479       6.376774      30.56580 9.630793 42.00037 7.881952 -11.43457      12.44497 
1 1 1 21 10 26 o 69.68067 3.985305 49.45702       5.547885      47.64338       7.941744      51.27065       7.750463      68.36378 5.808444 70.99756 5.458260 -2.633774      7.970610 
1 1 1 21 10 27 o 79.60965 3.401844 64.18573       5.413989      64.19282       8.338477      64.17156       6.911656      79.52252 5.242840 79.69678 4.336220 -0.1742554     6.803689 
1 1 1 21 10 28 o 56.81889 4.279991 33.32557       4.720414      26.95659       7.162447      39.68747       6.150779      51.12247 7.005185 62.51530 4.919418 -11.39283      8.559982 
1 1 1 21 10 29 o 37.06454 5.884254 14.94125       4.268422      14.86332       6.457538      15.02626       5.584017      36.80851 8.864490 37.32056 7.740710 -0.5120506     11.76851 
1 1 1 21 10 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 10 31 o 65.68307 3.690360 44.43409       4.873440      49.49952       7.459997      39.36158       6.269090      69.39094 5.375340 61.97520 5.057741 7.415737       7.380720 
1 1 1 21 10 32 o 70.83852 3.424197 51.55404       4.849352      51.49028       7.389152      51.61780       6.281133      70.63747 5.230335 71.03956 4.420870 -0.4020844     6.848394 
1 1 1 21 10 33 o 66.36328 3.667746 46.13438       4.766464      38.90108       7.148279      53.36768       6.306637      60.74657 5.883689 71.98000 4.380826 -11.23343      7.335491 
1 1 1 21 10 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 10 35 o 37.99257 6.071265 16.98159       4.669405      17.13745       7.814223      16.83282       5.109354      36.70530 10.25387 39.27985 6.503786 -2.574551      12.14253 
1 1 1 21 10 36 o 58.01996 4.288487 36.90326       4.740959      31.12229       7.771716      42.69130       5.433825      52.17639 7.447542 63.86353 4.254248 -11.68714      8.576975 
1 1 1 21 10 37 f 29.81517 6.270287 12.14995       4.152236      16.73363       6.989584      7.573349       4.484500      34.98008 9.672699 24.65025 7.981535 10.32983       12.54057 
1 1 1 21 10 38 o 21.66713 5.751820 4.410821       4.026131      0.8345562      6.800429      7.991336       4.310929      18.61648 8.448172 24.71778 7.807826 -6.101292      11.50364 
1 1 1 21 11 0  o 188.4802 4.684194 356.2804       17.63337      356.2804       17.63337      356.2804       17.63337      188.4802 4.684194 188.4802 4.684194 0.000000       0.000000 
1 1 1 21 11 1  o 164.9941 2.962430 272.6831       9.790804      267.4406       12.29872      277.9965       15.24588      163.4243 3.762819 166.5638 4.576590 -3.139465      5.924860 
1 1 1 21 11 2  o 135.1661 2.975248 183.0639       8.069265      177.0421       10.00334      189.0858       12.66712      132.9657 3.761625 137.3665 4.610702 -4.400803      5.950495 
1 1 1 21 11 3  o 199.5227 3.011037 398.8584       11.98701      408.4225       15.38757      389.2943       18.38432      201.9506 3.809736 197.0948 4.663827 4.855804       6.022074 
1 1 1 21 11 4  o 117.8973 2.769343 139.2108       6.531217      138.6440       9.153197      139.7775       9.316141      117.6585 3.889731 118.1360 3.942972 -0.4775543     5.538686 
1 1 1 21 11 5  o 156.8639 2.615460 246.4704       8.203872      241.0153       11.45567      251.8546       11.75322      155.1392 3.692060 158.5886 3.705567 -3.449402      5.230921 
1 1 1 21 11 6  o 222.8738 2.742172 497.4749       12.22079      500.0961       17.37832      494.9244       17.19412      223.4520 3.888602 222.2955 3.867402 1.156509       5.484344 
1 1 1 21 11 7  o 135.3366 2.490002 183.4890       6.722499      175.6252       9.960832      191.3528       9.025676      132.4225 3.761005 138.2507 3.264241 -5.828278      4.980003 
1 1 1 21 11 8  o 214.4298 2.543108 460.7062       10.87473      439.9485       16.08185      481.4638       14.64370      209.5750 3.836778 219.2846 3.338972 -9.709534      5.086216 
1 1 1 21 11 9  o 128.2457 2.520274 164.8567       6.438409      174.4208       8.643111      155.2926       9.542846      131.9841 3.274302 124.5074 3.832241 7.476677       5.040548 
1 1 1 21 11 10 o 77.70720 2.868291 60.59388       4.453328      55.96769       6.198953      65.22716       6.395194      74.73074 4.147526 80.68366 3.963129 -5.952927      5.736581 
1 1 1 21 11 11 o 171.5889 2.258307 294.8576       7.750463      300.9503       11.03768      288.7650       10.88182      173.3627 3.183407 169.8152 3.204018 3.547440       4.516615 
1 1 1 21 11 12 o 163.3433 2.263367 267.2280       7.396237      272.8248       10.55593      261.6313       10.35756      165.0542 3.197716 161.6324 3.204051 3.421875       4.526735 
1 1 1 21 11 13 o 142.9201 2.272218 204.7426       6.497211      195.1785       8.976085      214.2358       9.394071      139.5919 3.215117 146.2484 3.211684 -6.656479      4.544435 
1 1 1 21 11 14 o 180.1258 2.518058 325.2502       9.054014      318.0949       13.61644      332.4056       11.94450      178.1122 3.822433 182.1394 3.278944 -4.027145      5.036117 
1 1 1 21 11 15 o 74.29140 3.328951 55.56387       4.893985      50.39217       7.431659      60.74265       6.371816      70.78242 5.249650 77.80038 4.094977 -7.017960      6.657903 
1 1 1 21 11 16 o 163.2737 2.577695 267.5822       8.373900      283.0974       11.12978      252.1380       12.52543      168.0432 3.311583 158.5042 3.951134 9.538925       5.155389 
1 1 1 21 11 17 o 34.97424 5.635388 12.93633       3.864604      11.06602       5.419656      14.79956       5.509629      32.38857 8.322834 37.55990 7.600054 -5.171326      11.27078 
1 1 1 21 11 18 o 136.2761 3.337533 0.000000       0.000000      ?              ?             186.2520       9.096521      ?        ?        136.2761 3.337533 ?              ?        
1 1 1 21 11 19 o 182.6478 2.488565 334.8851       9.082352      326.1712       13.32598      343.5991       12.33415      180.2365 3.696804 185.0591 3.332488 -4.822678      4.977131 
1 1 1 21 11 20 o 89.42963 3.105949 80.40928       5.547885      82.67632       7.651280      78.21307       8.040927      90.68987 4.218376 88.16938 4.559932 2.520493       6.211898 
1 1 1 21 11 21 o 65.23838 3.452711 42.93926       4.497961      40.76431       6.434867      45.11421       6.286093      63.56517 5.061630 66.91159 4.697312 -3.346420      6.905421 
1 1 1 21 11 22 o 131.8082 2.554478 174.5625       6.727458      170.0993       9.826226      178.9549       9.188620      130.1092 3.776146 133.5073 3.441242 -3.398132      5.108956 
1 1 1 21 11 23 o 45.13678 5.504883 21.19688       4.825974      20.84974       7.658363      21.54402       5.878025      44.22541 8.971005 46.04815 6.382476 -1.822742      11.00977 
1 1 1 21 11 24 o 119.7342 2.815212 144.4533       6.774924      154.5133       10.46383      134.3933       8.607689      123.8611 4.224019 115.6073 3.722813 8.253761       5.630424 
1 1 1 21 11 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 11 26 o 210.1635 2.734036 445.2620       11.49109      445.1911       17.52710      445.4036       14.86332      209.9979 4.173160 210.3291 3.533348 -0.3312073     5.468072 
1 1 1 21 11 27 o 70.74338 3.617113 50.82433       5.127066      52.24123       7.792970      49.40743       6.663697      71.66034 5.437436 69.82641 4.771617 1.833931       7.234227 
1 1 1 21 11 28 o 84.78355 3.200589 72.97054       5.447286      77.07955       8.345562      68.82609       7.002337      87.11315 4.790070 82.45395 4.246211 4.659203       6.401178 
1 1 1 21 11 29 o 48.84302 4.660287 24.68246       4.554636      24.96584       6.963373      24.39908       5.873065      48.99053 7.106856 48.69551 6.030396 0.2950134      9.320574 
1 1 1 21 11 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 11 31 o 28.01438 6.086824 8.529759       3.815013      6.426365       5.424615      10.63386       5.365814      25.15708 8.765223 30.87168 8.447994 -5.714603      12.17365 
1 1 1 21 11 32 o 38.50691 5.314723 16.39357       3.941826      15.63553       5.618022      17.14453       5.530883      37.48920 7.755621 39.52462 7.268799 -2.035416      10.62945 
1 1 1 21 11 33 o 80.89652 3.062606 67.26749       4.949244      62.86801       6.950621      71.69532       7.046970      78.18358 4.445064 83.60947 4.214218 -5.425888      6.125212 
1 1 1 21 11 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 11 35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 11 36 o 19.28069 5.794713 1.758377       4.123898      0.3242584      6.919449      3.192992       4.490167      19.36207 8.665507 19.19930 7.695700 0.1627769      11.58943 
1 1 1 21 11 37 o 24.81815 6.287676 8.395153       4.049510      11.17229       6.768548      5.624399       4.446952      27.96806 9.786538 21.66824 7.897036 6.299826       12.57535 
1 1 1 21 11 38 o 25.06357 6.139769 8.855647       4.014796      8.692703       6.769256      9.018591       4.319431      24.18631 9.531029 25.94083 7.742516 -1.754522      12.27954 
1 1 1 21 12 0  o 259.9560 5.162122 677.4925       26.81490      677.4925       26.81490      677.4925       26.81490      259.9560 5.162122 259.9560 5.162122 0.000000       0.000000 
1 1 1 21 12 1  o 133.0721 3.334419 177.5380       8.876901      180.8677       12.66712      174.1374       12.43333      134.3337 4.714797 131.8105 4.716365 2.523148       6.668839 
1 1 1 21 12 2  o 158.3172 3.258593 251.2878       10.31506      239.9526       14.30364      262.6939       14.87749      154.7330 4.622040 161.9015 4.594611 -7.168518      6.517185 
1 1 1 21 12 3  o 147.5787 3.263609 218.4157       9.634944      229.2550       13.99192      207.5764       13.25513      151.2421 4.625669 143.9152 4.605189 7.326950       6.527219 
1 1 1 21 12 4  o 87.83110 2.992150 77.29209       5.253170      78.00054       6.958413      76.58364       7.870899      88.24469 3.942681 87.41750 4.501901 0.8271866      5.984301 
1 1 1 21 12 5  o 325.8052 3.106970 1064.095       20.24047      1067.637       26.56694      1059.844       30.54136      326.4510 4.069056 325.1595 4.696365 1.291443       6.213941 
1 1 1 21 12 6  o 97.32374 2.779497 95.49931       5.332517      110.8019       7.339560      80.19674       7.743378      105.1898 3.488721 89.45763 4.327959 15.73222       5.558993 
1 1 1 21 12 7  o 63.69772 3.563648 40.84225       4.567389      36.02477       5.819932      45.65263       7.039886      59.93719 4.855025 67.45825 5.217957 -7.521065      7.127296 
1 1 1 21 12 8  o 82.99724 2.947581 69.03154       4.896110      68.33018       6.441244      69.73999       7.374983      82.58457 3.899786 83.40990 4.420928 -0.8253326     5.895162 
1 1 1 21 12 9  o 209.1566 2.541630 438.3900       10.60552      457.0222       14.28947      419.7577       15.67095      213.6267 3.344496 204.6865 3.828038 8.940201       5.083259 
1 1 1 21 12 10 o 171.7308 2.471734 295.4244       8.494337      290.4652       11.04476      300.3836       12.92216      170.3091 3.242564 173.1524 3.731441 -2.843353      4.943468 
1 1 1 21 12 11 o 145.1340 2.459417 211.0478       7.141194      209.2767       9.330310      212.7481       10.81806      144.5547 3.227258 145.7132 3.712107 -1.158463      4.918835 
1 1 1 21 12 12 o 205.8145 2.346349 424.3626       9.656199      420.0410       13.55977      428.6841       13.75813      204.7673 3.311018 206.8617 3.325442 -2.094406      4.692698 
1 1 1 21 12 13 o 125.7807 2.351755 158.5515       5.917697      155.2218       8.260548      161.8812       8.473083      124.4604 3.318544 127.1011 3.333207 -2.640656      4.703510 
1 1 1 21 12 14 o 135.9978 2.343352 185.4727       6.378191      193.6907       9.273635      177.2546       8.756464      139.0102 3.335595 132.9855 3.292264 6.024750       4.686704 
1 1 1 21 12 15 o 111.6399 2.624560 125.1834       5.880858      133.9682       8.912323      116.3986       7.672533      115.5480 3.856547 107.7318 3.560940 7.816132       5.249119 
1 1 1 21 12 16 o 189.4198 2.538184 359.8935       9.620775      362.8690       14.38157      356.9180       12.78047      190.1714 3.781213 188.6681 3.387024 1.503296       5.076367 
1 1 1 21 12 17 o 46.28832 4.624240 21.82031       4.257795      25.63179       6.236501      18.01593       5.799386      50.38357 6.189023 42.19308 6.872437 8.190487       9.248481 
1 1 1 21 12 18 o 62.36033 3.670103 39.43243       4.519922      33.26889       6.520590      45.59596       6.260589      57.40870 5.679096 67.31195 4.650429 -9.903248      7.340206 
1 1 1 21 12 19 o 137.8965 2.897562 191.1403       8.005506      193.2656       13.04260      188.9441       9.280719      138.5676 4.706221 137.2254 3.381559 1.342178       5.795124 
1 1 1 21 12 20 o 124.5985 2.686985 156.0011       6.670782      149.5542       10.07418      162.5188       8.749379      121.9568 4.130227 127.2402 3.438135 -5.283394      5.373969 
1 1 1 21 12 21 o 102.4765 2.849223 105.9135       5.879441      117.8864       9.131943      94.01155       7.410406      108.2404 4.218361 96.71254 3.831151 11.52789       5.698446 
1 1 1 21 12 22 o 229.4994 2.722502 529.6385       12.51834      538.5651       19.23446      520.7121       16.01101      231.3293 4.157378 227.6694 3.516285 3.659866       5.445003 
1 1 1 21 12 23 o 116.1754 2.820171 135.8811       6.528384      131.0636       9.967916      140.6277       8.437660      114.0580 4.369671 118.2927 3.566432 -4.234749      5.640342 
1 1 1 21 12 24 o 81.53349 3.684136 67.79884       5.887234      56.30066       8.749379      79.27575       7.877984      74.43705 5.877033 88.62994 4.444313 -14.19289      7.368272 
1 1 1 21 12 25 o 30.63284 7.144351 9.634944       5.115730      9.677451       7.920490      9.585353       6.474541      31.03039 10.61006 30.23530 9.570457 0.7950935      14.28870 
1 1 1 21 12 26 o 59.01145 4.086444 35.59262       4.770006      31.24272       7.015089      39.93543       6.464623      55.28552 6.344419 62.73738 5.152130 -7.451862      8.172888 
1 1 1 21 12 27 o 44.45208 4.953127 21.14020       4.176323      14.79247       5.768923      27.48793       6.039551      37.03557 8.014891 51.86858 5.821975 -14.83301      9.906254 
1 1 1 21 12 28 o 35.05796 5.800598 13.38974       4.014087      15.44425       5.581183      11.33523       5.771757      37.89139 7.632668 32.22453 8.736711 5.666862       11.60120 
1 1 1 21 12 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 12 30 o 174.2895 2.407902 307.1139       8.395153      311.0811       11.94450      303.2174       11.79572      175.4054 3.404826 173.1737 3.405750 2.231735       4.815804 
1 1 1 21 12 31 o 28.53819 6.092007 8.876901       3.912779      5.724290       5.522382      12.02243       5.543635      24.33287 8.806918 32.74352 8.419524 -8.410643      12.18401 
1 1 1 21 12 32 o 24.77410 6.075263 6.120315       3.895777      2.461161       5.421073      9.776634       5.596769      20.36208 8.342394 29.18612 8.834010 -8.824039      12.15053 
1 1 1 21 12 33 o 51.81632 5.779897 32.06453       5.285758      17.69713       7.927575      46.43193       6.992419      37.39206 10.28450 66.24059 5.278048 -28.84853      11.55979 
1 1 1 21 12 34 o 64.86288 3.659343 44.73165       4.740251      43.30058       6.864897      46.16272       6.539010      63.66063 5.391793 66.06512 4.948913 -2.404495      7.318686 
1 1 1 21 12 35 o 26.74654 6.225995 8.706873       3.868855      8.813140       5.795844      8.600604       5.127066      26.85004 9.076124 26.64305 8.525023 0.2069912      12.45199 
1 1 1 21 12 36 o 18.07205 5.618127 -0.9826226E-01 4.211746      -2.803344      6.975416      2.606394       4.721831      17.47230 8.150116 18.67180 7.734923 -1.199503      11.23625 
1 1 1 21 12 37 o 46.54738 4.652284 25.61762       4.405862      29.38658       7.417490      21.84865       4.760087      48.85156 7.591866 44.24320 5.379457 4.608360       9.304567 
1 1 1 21 13 0  o 344.4518 4.900374 1188.782       33.74356      1188.782       33.74356      1188.782       33.74356      344.4518 4.900374 344.4518 4.900374 0.000000       0.000000 
1 1 1 21 13 1  o 127.5971 2.558792 163.0148       6.528384      162.2355       9.741212      163.8649       8.692703      127.2672 3.827071 127.9269 3.397527 -0.6597443     5.117584 
1 1 1 21 13 2  o 68.08731 3.753744 46.63738       5.101561      41.63571       7.051221      51.64614       7.374983      64.41658 5.473141 71.75804 5.138785 -7.341461      7.507489 
1 1 1 21 13 3  o 214.1719 2.767810 459.7852       11.86657      480.9679       17.28622      438.5317       16.25188      219.1138 3.944577 209.2300 3.883736 9.883759       5.535621 
1 1 1 21 13 4  o 117.9690 2.778422 139.6358       6.558138      150.6169       9.620775      128.6548       8.919409      122.6151 3.923160 113.3230 3.935394 9.292160       5.556843 
1 1 1 21 13 5  o 91.16333 3.115854 83.38477       5.675407      78.14223       7.948828      88.62732       8.104689      88.29005 4.501543 94.03662 4.309326 -5.746574      6.231707 
1 1 1 21 13 6  o 251.3896 2.917687 633.3559       14.67204      647.9500       21.13312      618.8326       20.36090      254.2753 4.155559 248.5038 4.096698 5.771423       5.835375 
1 1 1 21 13 7  o 104.8974 2.856930 110.3768       5.992794      116.1152       8.593520      104.5675       8.352647      107.6464 3.991550 102.1484 4.088488 5.498062       5.713861 
1 1 1 21 13 8  o 57.25225 3.847108 32.93592       4.422864      31.03727       5.650611      34.83458       6.806097      55.61514 5.080102 58.88937 5.778714 -3.274235      7.694216 
1 1 1 21 13 9  o 110.0874 2.632208 121.4286       5.794427      121.4995       7.552096      121.3578       8.791886      110.1357 3.428540 110.0390 3.994895 0.9673309E-01  5.264416 
1 1 1 21 13 10 o 54.73566 3.948895 30.22255       4.344226      26.46776       5.590393      33.97026       6.651654      51.33147 5.445385 58.13985 5.720391 -6.808376      7.897790 
1 1 1 21 13 11 o 121.6509 3.395187 148.2789       8.260548      148.2789       8.260548      ?              ?             121.6509 3.395187 ?        ?        ?              ?        
1 1 1 21 13 12 o 69.11143 3.525589 48.33058       4.876983      40.30382       6.422115      56.35026       7.339560      63.32885 5.070450 74.89402 4.899965 -11.56517      7.051178 
1 1 1 21 13 13 o 100.2672 4.112426 101.3794       8.097604      94.08241       13.74396      108.6765       8.558097      96.47430 7.123123 104.0601 4.112093 -7.585823      8.224853 
1 1 1 21 13 14 o 124.2011 3.041949 155.0092       7.587519      162.5188       11.71071      147.4997       9.642029      127.1731 4.604239 121.2291 3.976781 5.944023       6.083897 
1 1 1 21 13 15 o 20.07329 6.298955 -3.750544      5.258838      0.9479085      7.502505      -8.451830      7.367898      22.98782 9.649384 17.15876 8.099181 5.829062       12.59791 
1 1 1 21 13 16 o 253.8022 3.332322 647.8792       16.94617      661.9774       26.29065      633.7101       21.39524      256.4417 5.126046 251.1627 4.259241 5.279083       6.664644 
1 1 1 21 13 17 o 166.8938 2.784517 279.8385       9.294888      287.2772       13.45350      272.3997       12.83715      169.1048 3.977859 164.6828 3.897537 4.421967       5.569035 
1 1 1 21 13 18 o 111.9245 2.969404 125.8919       6.645986      126.2461       9.642029      125.6085       9.153197      112.0517 4.302490 111.7974 4.093655 0.2543640      5.938807 
1 1 1 21 13 19 o 146.8004 3.187624 217.1405       9.415324      232.5847       14.74997      201.6962       11.71071      151.9549 4.853404 141.6460 4.133793 10.30882       6.375247 
1 1 1 21 13 20 o 56.95152 4.061540 33.09178       4.646736      39.13488       7.162447      27.05577       5.925491      62.19037 5.758486 51.71267 5.729245 10.47771       8.123079 
1 1 1 21 13 21 o 59.67368 3.906160 36.00352       4.680741      37.29290       7.467082      34.71414       5.647778      60.66643 6.154212 58.68094 4.812276 1.985485       7.812319 
1 1 1 21 13 22 o 81.41759 3.186309 66.96995       5.239001      72.89968       8.402238      61.01187       6.261296      84.97284 4.944073 77.86234 4.020748 7.110497       6.372619 
1 1 1 21 13 23 f 87.99418 3.539209 78.35477       6.310180      84.80168       10.49217      71.97870       7.011548      91.45456 5.736276 84.53380 4.147186 6.920761       7.078418 
1 1 1 21 13 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 13 25 o 30.44742 6.702706 9.606606       4.607062      8.961915       7.304138      10.25838       5.618731      29.95389 10.18888 30.94096 8.711585 -0.9870720     13.40541 
1 1 1 21 13 26 o 20.01304 5.906247 -0.3118605     4.276924      -4.091309      6.838685      3.467163       5.139110      18.27657 8.341357 21.74950 8.364017 -3.472935      11.81249 
1 1 1 21 13 27 f 147.0963 2.570675 218.4865       7.509589      207.1513       11.76030      229.8218       9.337394      143.0928 4.109325 151.0998 3.089810 -8.006973      5.141350 
1 1 1 21 13 28 o 131.6623 2.606974 175.2710       6.879775      178.6007       10.95975      171.9413       8.317224      132.7316 4.128537 130.5930 3.184406 2.138611       5.213949 
1 1 1 21 13 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 13 30 o 18.03718 5.622703 -2.218871      4.163571      2.585141       6.199661      -7.022882      5.558513      21.78518 8.922731 14.28918 6.844268 7.496000       11.24541 
1 1 1 21 13 31 o 85.29041 3.181981 74.67081       5.429574      74.95419       8.182618      74.38744       7.134109      85.30265 4.796227 85.27816 4.182847 0.2449036E-01  6.363962 
1 1 1 21 13 32 o 101.2282 2.755125 104.7800       5.579058      108.4640       8.040927      101.0961       7.736294      103.0044 3.903197 99.45197 3.889462 3.552414       5.510250 
1 1 1 21 13 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 13 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 13 35 o 38.05944 5.329379 17.52710       3.987875      24.22197       5.911322      10.82514       5.353770      46.67436 6.332515 29.44451 8.573702 17.22985       10.65876 
1 1 1 21 13 36 o 79.39612 2.922266 66.87785       4.639651      66.58738       6.658030      67.17540       6.463914      79.13937 4.206522 79.65286 4.057553 -0.5134888     5.844532 
1 1 1 21 13 37 o 39.53745 5.561431 21.55110       4.500085      32.50377       7.382068      10.59844       5.151153      51.41336 7.179132 27.66153 8.495770 23.75183       11.12286 
1 1 1 21 14 0  o 63.40609 4.919269 40.98394       6.164238      40.98394       6.164238      40.98394       6.164238      63.40609 4.919269 63.40609 4.919269 0.000000       0.000000 
1 1 1 21 14 1  o 158.6930 2.327300 252.2088       7.389152      252.4214       10.45675      251.9255       10.43549      158.7709 3.293031 158.6151 3.289567 0.1558075      4.654600 
1 1 1 21 14 2  o 64.32912 3.428551 41.56487       4.406570      38.38392       6.133776      44.74582       6.328599      61.85966 4.957815 66.79856 4.737078 -4.938896      6.857101 
1 1 1 21 14 3  o 110.6215 2.448817 122.5622       5.417531      124.1208       7.700871      121.0036       7.622942      111.3251 3.458731 109.9179 3.467563 1.407234       4.897633 
1 1 1 21 14 4  o 108.0290 2.715498 116.9654       5.847561      112.5730       8.806056      121.3578       7.700871      105.9824 4.154488 110.0756 3.497991 -4.093178      5.430995 
1 1 1 21 14 5  o 18.33644 5.664342 -1.091724      3.931199      -0.8083435     6.023965      -1.375105      5.052678      19.43190 8.414506 17.24097 7.585194 2.190926       11.32868 
1 1 1 21 14 6  o 99.74671 2.794539 99.75002       5.583308      101.5920       8.579351      97.83719       7.148279      100.6686 4.261185 98.82481 3.616642 1.843796       5.589078 
1 1 1 21 14 7  o 146.9568 2.482828 216.3612       7.289969      212.0396       10.95267      220.6827       9.613690      145.4699 3.764581 148.4438 3.238159 -2.973862      4.965657 
1 1 1 21 14 8  o 96.66087 3.485438 93.86986       6.673616      87.77718       10.51342      99.96254       8.225125      93.46764 5.624099 99.85411 4.118571 -6.386467      6.970876 
1 1 1 21 14 9  o 82.73521 4.358874 68.98904       7.360813      74.31659       13.13470      63.66148       6.648112      85.79590 7.654618 79.67452 4.172044 6.121376       8.717748 
1 1 1 21 14 10 o 88.57016 4.364211 79.13406       7.856731      84.65999       13.70854      73.53729       7.679617      91.54353 7.487444 85.59678 4.485927 5.946754       8.728422 
1 1 1 21 14 11 o 198.2684 3.068579 394.6077       12.17829      397.5832       18.91566      391.6321       15.33798      198.9407 4.754096 197.5962 3.881143 1.344467       6.137157 
1 1 1 21 14 12 o 174.3098 2.988386 305.0593       10.40007      299.2500       15.83390      310.8686       13.48892      172.5892 4.587163 176.0305 3.831416 -3.441299      5.976773 
1 1 1 21 14 13 o 25.60908 7.176374 2.055219       6.029633      -2.097726      10.34340      6.207455       6.200370      24.81790 10.88604 26.40026 9.353908 -1.582354      14.35275 
1 1 1 21 14 14 o 75.40404 3.566216 57.20748       5.384233      58.56062       7.913406      55.85434       7.297054      76.28295 5.186878 74.52513 4.895700 1.757820       7.132431 
1 1 1 21 14 15 o 240.0057 3.361317 579.5844       16.20229      556.8431       19.91458      602.3257       25.56094      235.4386 4.229251 244.5727 5.225633 -9.134094      6.722634 
1 1 1 21 14 16 o 107.5904 3.092030 116.6820       6.643860      128.1589       9.613690      105.2051       9.174451      112.9101 4.257232 102.2708 4.485373 10.63935       6.184059 
1 1 1 21 14 17 o 106.9577 2.952835 114.9817       6.328599      118.3115       9.613690      111.7228       8.232210      108.4548 4.432117 105.4605 3.902983 2.994347       5.905670 
1 1 1 21 14 18 o 71.62132 3.631137 51.70990       5.205703      52.25541       7.948828      51.16439       6.722499      71.95433 5.523524 71.28831 4.715008 0.6660156      7.262273 
1 1 1 21 14 19 o 23.47363 6.557900 2.344975       4.855729      -0.5842602     7.948828      5.273715       5.576224      22.37041 9.676098 24.57685 8.854227 -2.206438      13.11580 
1 1 1 21 14 20 o 90.22719 3.160539 82.03871       5.669739      77.00871       8.565183      87.06872       7.431659      87.39687 4.900165 93.05751 3.993047 -5.660637      6.321079 
1 1 1 21 14 21 o 118.0831 3.059227 140.6277       7.219123      132.1971       10.11669      148.9874       10.30089      114.5362 4.416371 121.6300 4.234518 -7.093788      6.118454 
1 1 1 21 14 22 o 52.78886 5.211357 29.15279       5.178074      22.95384       7.743378      35.35174       6.875525      46.52277 8.645549 59.05495 5.821294 -12.53219      10.42271 
1 1 1 21 14 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 14 24 o 145.0374 2.897969 212.5355       8.359732      199.3583       12.54668      225.6419       11.05185      140.4230 4.467459 149.6518 3.692521 -9.228775      5.795938 
1 1 1 21 14 25 o 92.48062 3.135220 86.57281       5.821349      90.75267       8.983169      82.32210       7.403321      94.66014 4.744958 90.30110 4.099242 4.359039       6.270440 
1 1 1 21 14 26 o 16.74631 5.451621 -3.804386      4.186950      -3.163946      6.545386      -4.444118      5.222707      18.30063 8.297638 15.19200 7.073181 3.108628       10.90324 
1 1 1 21 14 27 o 51.70444 4.414321 27.60128       4.609187      30.57678       7.318307      24.62578       5.604562      54.38118 6.728713 49.02770 5.715710 5.353481       8.828642 
1 1 1 21 14 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 14 29 f 92.86114 2.983498 87.77718       5.497586      82.88886       8.579351      92.66550       6.876233      90.05713 4.763283 95.66515 3.593907 -5.608017      5.966995 
1 1 1 21 14 30 o 79.42418 3.215722 64.83751       5.170990      72.12038       8.331393      57.51920       6.123149      83.72832 4.975255 75.12005 4.075576 8.608269       6.431445 
1 1 1 21 14 31 o 40.98620 5.321728 18.83065       4.245751      21.60069       6.730292      16.05352       5.177365      43.84548 7.969234 38.12691 7.055102 5.718563       10.64346 
1 1 1 21 14 32 o 46.76648 5.754077 25.16421       5.196494      23.66937       7.998421      26.65196       6.638193      44.20716 9.335906 49.32579 6.728927 -5.118629      11.50815 
1 1 1 21 14 33 o 52.15014 4.633969 30.04544       4.821014      30.27214       7.615856      29.82582       5.916989      51.68858 7.367060 52.61171 5.623263 -0.9231300     9.267938 
1 1 1 21 14 34 o 46.38921 4.616888 24.08027       4.337142      28.09720       6.917324      20.05627       5.233334      50.01150 6.915733 42.76692 6.118435 7.244579       9.233776 
1 1 1 21 14 35 o 33.94639 5.494126 14.70037       4.060137      23.22305       6.215956      6.174158       5.225540      44.90869 6.920661 22.98409 8.534995 21.92459       10.98825 
1 1 1 21 14 36 o 34.32407 6.038758 15.64970       4.152944      16.74072       6.413614      14.55868       5.278674      34.96091 9.089480 33.68722 7.952844 1.273685       12.07752 
1 1 1 21 15 0  o 143.9576 3.301098 207.7180       9.493254      207.7180       9.493254      207.7180       9.493254      143.9576 3.301098 143.9576 3.301098 0.000000       0.000000 
1 1 1 21 15 1  o 311.1574 2.828357 970.5789       17.61211      1003.168       25.57511      937.9902       24.21488      316.3755 4.041892 305.9393 3.957466 10.43625       5.656715 
1 1 1 21 15 2  o 71.66232 3.306434 51.55404       4.718289      54.47995       6.289635      48.62104       7.034218      73.71817 4.266000 69.60648 5.052847 4.111694       6.612868 
1 1 1 21 15 3  o 59.46845 3.482308 35.48635       4.140193      35.04002       5.971540      35.93267       5.737042      59.08915 5.052992 59.84776 4.793031 -0.7586021     6.964616 
1 1 1 21 15 4  o 259.9722 2.690656 677.3507       14.03443      692.8658       22.51460      661.8356       16.75488      262.8782 4.282324 257.0661 3.258867 5.812134       5.381311 
1 1 1 21 15 5  o 86.92856 3.115030 75.80434       5.399111      73.25391       8.147196      78.35477       7.091603      85.44441 4.767541 88.41270 4.010511 -2.968285      6.230061 
1 1 1 21 15 6  o 199.7136 2.868357 399.9919       11.40607      388.7275       18.32765      411.1854       13.58102      196.8282 4.655748 202.5990 3.351699 -5.770889      5.736713 
1 1 1 21 15 7  o 196.1710 3.676939 386.6022       14.29656      375.9045       25.32715      397.3706       13.27639      193.1862 6.555114 199.1557 3.333168 -5.969498      7.353878 
1 1 1 21 15 8  o 59.04641 5.524878 35.25256       6.537593      35.72014       11.68946      34.79207       5.856771      59.24117 9.865990 58.85166 4.975876 0.3895111      11.04976 
1 1 1 21 15 9  o 108.4208 3.919600 118.3115       8.388069      113.3523       14.84915      123.2706       7.792970      105.9505 7.007591 110.8911 3.513793 -4.940651      7.839201 
1 1 1 21 15 10 o 102.4781 4.038194 105.9844       8.458915      115.5485       14.88457      96.42028       8.033843      106.9389 6.959381 98.01727 4.098177 8.921646       8.076388 
1 1 1 21 15 11 o 285.1447 3.410535 817.5534       19.53910      839.5154       32.60295      795.5914       21.55110      288.6967 5.646574 281.5927 3.826644 7.103973       6.821071 
1 1 1 21 15 12 o 139.4294 3.168166 195.3910       8.862731      200.3502       14.25405      190.3610       10.54176      141.1237 5.050198 137.7350 3.826827 3.388626       6.336332 
1 1 1 21 15 13 o 84.52910 3.560201 72.04955       6.150070      79.06322       10.69762      65.06421       6.068598      88.53229 6.041650 80.52592 3.768102 8.006371       7.120402 
1 1 1 21 15 14 o 33.16058 6.593697 10.89599       4.930825      8.111773       8.366816      13.68020       5.225540      30.25580 10.85116 36.06535 7.493971 -5.809544      13.18739 
1 1 1 21 15 15 o 42.24583 5.521921 18.84482       4.582975      24.18654       7.037760      13.50309       5.873065      48.80766 7.209688 35.68402 8.365814 13.12364       11.04384 
1 1 1 21 15 16 o 39.75867 5.726595 18.30639       5.233334      34.45910       8.813140      2.152277       5.650611      58.20977 7.570155 21.30756 8.594668 36.90221       11.45319 
1 1 1 21 15 17 o 70.80784 3.883631 51.37692       5.305595      38.68855       7.849646      64.06529       7.141194      61.81938 6.348855 79.79630 4.474640 -17.97691      7.767262 
1 1 1 21 15 18 o 186.2431 2.671051 349.0542       9.904156      324.8960       14.54451      373.2124       13.44641      179.7203 4.046431 192.7658 3.487759 -13.04553      5.342103 
1 1 1 21 15 19 o 46.45198 5.150873 22.05410       4.821014      24.73205       7.502505      19.36907       6.055846      49.24869 7.616959 43.65527 6.935986 5.593422       10.30175 
1 1 1 21 15 20 o 146.2927 2.743318 215.2985       8.033843      218.5574       12.31289      212.0396       10.32923      147.3309 4.178653 145.2545 3.555562 2.076401       5.486635 
1 1 1 21 15 21 o 38.52242 6.811893 16.11019       5.386359      21.89116       7.913406      10.32214       7.311223      45.32234 9.050406 31.72249 10.18321 13.59985       13.62379 
1 1 1 21 15 22 o 23.94799 7.239397 0.4925865      6.158571      0.8260548      8.770633      0.1588349      8.650196      24.25008 10.31700 23.64590 10.15849 0.6041870      14.47879 
1 1 1 21 15 23 o 183.7499 2.880977 340.8362       10.59844      346.6454       16.25188      335.0269       13.61644      185.1794 4.388146 182.3204 3.734206 2.858948       5.761954 
1 1 1 21 15 24 o 35.27006 6.730014 13.51726       4.872023      14.16904       7.417490      12.86548       6.322224      36.07463 9.959576 34.46548 9.054237 1.609150       13.46003 
1 1 1 21 15 25 o 59.60463 4.267910 36.42150       5.037092      33.08470       7.587519      39.75123       6.627566      56.71741 6.688880 62.49185 5.302745 -5.774441      8.535819 
1 1 1 21 15 26 o 74.77893 3.667358 57.12955       5.423907      51.44069       8.168448      62.81842       7.141194      70.88056 5.762122 78.67729 4.538281 -7.796730      7.334715 
1 1 1 21 15 27 o 125.5741 2.939733 160.6060       7.311223      141.7612       10.72596      179.4508       9.932493      117.9991 4.544934 133.1492 3.729838 -15.15009      5.879466 
1 1 1 21 15 28 o 94.38613 3.182005 90.82352       5.993503      88.41478       8.961915      93.30310       7.962997      92.98220 4.819157 95.79006 4.156485 -2.807861      6.364011 
1 1 1 21 15 29 f 39.39885 5.811956 17.10911       4.495835      13.53143       6.807514      20.67971       5.873774      34.42555 9.555487 44.37214 6.618763 -9.946590      11.62391 
1 1 1 21 15 30 o 23.60041 6.268726 4.656654       4.198285      2.432115       6.533343      6.880484       5.273715      21.79698 9.068223 25.40384 8.657659 -3.606859      12.53745 
1 1 1 21 15 31 o 62.87062 3.912861 41.43026       4.969789      46.41068       7.885069      36.44984       6.051595      66.46661 5.931601 59.27464 5.104709 7.191978       7.825723 
1 1 1 21 15 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 15 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 15 34 f 23.83260 5.879256 5.569848       3.943242      1.331181       6.211705      9.804973       4.858562      19.41629 8.476936 28.24891 8.148875 -8.832623      11.75851 
1 1 1 21 15 35 o 52.95455 4.022282 31.34899       4.287550      34.02694       6.748003      28.66396       5.290718      54.74942 6.162626 51.15969 5.170788 3.589725       8.044563 
1 1 1 21 15 36 o 19.95626 5.856883 4.124607       3.958828      8.090520       6.375357      0.1625188      4.693493      24.03169 9.300419 15.88084 7.121413 8.150852       11.71377 
1 1 1 21 16 0  o 14.81276 9.240712 1.616687       5.417531      1.616687       5.417531      1.616687       5.417531      14.81276 9.240712 14.81276 9.240712 0.000000       0.000000 
1 1 1 21 16 1  o 27.58799 6.350161 7.367898       4.163571      10.88890       6.427783      3.853269       5.294969      32.42346 9.379353 22.75252 8.563055 9.670946       12.70032 
1 1 1 21 16 2  o 82.79851 3.480572 68.88277       5.696661      64.26366       9.146112      73.53729       6.796178      79.95253 5.719715 85.64449 3.967668 -5.691963      6.961144 
1 1 1 21 16 3  o 26.88269 6.599186 6.551762       4.432783      6.698411       7.275800      6.405821       5.061180      28.03306 10.11251 25.73233 8.481400 2.300730       13.19837 
1 1 1 21 16 4  o 32.87716 5.983951 10.99517       4.787009      22.16037       7.545012      -0.1749876     5.890777      46.07211 8.508060 19.68220 8.416862 26.38990       11.96790 
1 1 1 21 16 5  o 81.48291 3.471033 66.70782       5.622273      64.25658       9.039845      69.15906       6.687077      79.92688 5.655072 83.03895 4.026470 -3.112068      6.942067 
1 1 1 21 16 6  o 29.92297 6.187681 7.856731       4.564555      1.618812       7.240376      14.09819       5.559221      23.20769 9.593845 36.63826 7.817142 -13.43057      12.37536 
1 1 1 21 16 7  o 27.14168 8.694482 0.000000       0.000000      ?              ?             7.325392       5.331808      ?        ?        27.14168 8.694482 ?              ?        
1 1 1 21 16 8  o 73.41808 3.453176 54.21073       5.042760      51.45485       7.750463      56.97369       6.449745      71.50473 5.419545 75.33141 4.280914 -3.826683      6.906352 
1 1 1 21 16 9  o 67.21333 3.395588 45.73056       4.622647      53.29683       7.374983      38.16430       5.575515      72.79261 5.065750 61.63406 4.523080 11.15855       6.791177 
1 1 1 21 16 10 o 94.75508 2.984269 90.18591       5.634317      86.99788       8.685618      93.37395       7.176617      93.03591 4.667885 96.47426 3.719447 -3.438347      5.968537 
1 1 1 21 16 11 o 199.6491 2.951876 400.2752       11.76030      397.3706       20.00668      403.1091       12.37665      198.7478 5.033182 200.5504 3.085672 -1.802567      5.903752 
1 1 1 21 16 12 o 80.91147 3.725527 66.02062       5.908488      60.95520       10.05293      71.05771       6.215247      77.66994 6.471571 84.15301 3.692826 -6.483070      7.451054 
1 1 1 21 16 13 o 73.50145 4.006155 54.50828       5.867398      53.93444       10.08127      55.08213       6.008380      72.95551 6.909190 74.04739 4.057118 -1.091881      8.012310 
1 1 1 21 16 14 o 171.3549 3.265664 295.4952       11.17937      293.7241       17.44208      297.2664       13.99901      170.7202 5.108382 171.9895 4.069726 -1.269318      6.531327 
1 1 1 21 16 15 o 28.28539 6.054103 3.800136       5.151153      -6.172032      8.798972      13.77230       5.360146      20.44004 9.383986 36.13073 7.651762 -15.69069      12.10821 
1 1 1 21 16 16 o 130.9012 3.130084 172.4372       8.232210      176.1211       14.19737      168.7532       8.331393      132.1088 5.373365 129.6936 3.211952 2.415161       6.260167 
1 1 1 21 16 17 o 70.23370 4.435078 50.06629       6.104020      46.65864       10.56302      53.47394       6.113939      67.57100 7.816236 72.89639 4.193581 -5.325394      8.870155 
1 1 1 21 16 18 o 54.66740 4.509515 30.30048       4.912405      29.74789       7.948828      30.85307       5.773882      54.04565 7.353810 55.28916 5.221531 -1.243511      9.019031 
1 1 1 21 16 19 o 124.0035 2.797435 154.7967       6.977541      161.5978       11.26438      147.9956       8.239295      126.6286 4.447803 121.3783 3.394055 5.250313       5.594869 
1 1 1 21 16 20 o 77.11661 3.815724 60.28925       5.776008      54.28866       9.273635      66.28983       6.885443      73.10253 6.342895 81.13068 4.243427 -8.028152      7.631448 
1 1 1 21 16 21 o 136.4729 3.040939 187.9523       8.267632      182.6389       13.04260      193.2656       10.15920      134.3773 4.852975 138.5684 3.665770 -4.191071      6.081878 
1 1 1 21 16 22 o 68.44130 4.894688 48.20306       6.703371      52.14914       9.790804      44.26407       9.153197      71.25841 6.869929 65.62420 6.973949 5.634209       9.789376 
1 1 1 21 16 23 o 29.49021 6.666319 8.402238       4.937201      15.48676       7.587519      1.317720       6.320098      37.66479 9.930165 21.31563 8.896688 16.34915       13.33264 
1 1 1 21 16 24 o 70.86366 3.952113 51.39109       5.522382      44.69622       8.232210      58.07888       7.360813      66.06842 6.230064 75.65891 4.864472 -9.590492      7.904226 
1 1 1 21 16 25 o 21.79212 6.412462 1.444533       4.682866      -0.8288886E-01 7.040594      2.972664       6.176991      21.10340 9.117017 22.48084 9.019904 -1.377438      12.82492 
1 1 1 21 16 26 o 143.9377 2.793903 209.8434       8.033843      207.5055       12.13578      212.1105       10.53468      143.0100 4.242983 144.8653 3.636024 -1.855347      5.587806 
1 1 1 21 16 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 16 28 o 95.93098 3.120852 93.94070       5.985001      93.79901       8.940661      94.08241       7.962997      95.74219 4.669134 96.11977 4.142227 -0.3775864     6.241703 
1 1 1 21 16 29 o 25.33641 6.526728 6.285384       4.336433      8.076350       6.495085      4.497252       5.747669      27.61337 9.594018 23.05946 8.851414 4.553911       13.05346 
1 1 1 21 16 30 o 31.01611 6.346985 10.72596       4.522048      6.028216       6.858521      15.43008       5.894319      25.23524 9.674095 36.79699 8.218806 -11.56175      12.69397 
1 1 1 21 16 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 16 32 o 55.02064 4.561998 32.97134       5.004504      32.39042       7.608772      33.55228       6.505004      54.11264 7.030494 55.92864 5.815450 -1.815998      9.123997 
1 1 1 21 16 33 o 34.78792 6.132998 15.10419       4.323681      18.74563       6.900320      11.45567       5.212080      38.88404 9.036922 30.69180 8.293894 8.192236       12.26600 
1 1 1 21 16 34 o 18.96371 5.370503 -1.071179      3.968038      -9.528677      6.133776      7.382068       5.035675      13.49637 6.628730 24.43105 8.451576 -10.93468      10.74101 
1 1 1 21 16 35 o 40.47416 5.401439 20.76472       4.135233      13.26930       6.324349      28.25306       5.330391      30.52653 9.421384 50.42179 5.285801 -19.89526      10.80288 
1 1 1 21 17 0  o 255.9204 5.124459 657.4432       26.20563      657.4432       26.20563      657.4432       26.20563      255.9204 5.124459 255.9204 5.124459 0.000000       0.000000 
1 1 1 21 17 1  o 27.97434 7.149510 6.368981       5.246085      8.827310       7.105771      3.912071       7.722124      30.17878 10.04956 25.76990 10.17194 4.408876       14.29902 
1 1 1 21 17 2  o 64.70651 4.412054 42.20247       5.704454      41.86950       8.593520      42.52836       7.509589      64.41792 6.670133 64.99512 5.777040 -0.5772018     8.824107 
1 1 1 21 17 3  o 78.18170 3.822898 61.62113       6.008380      67.30292       9.202788      55.94644       7.722124      81.77183 5.627115 74.59157 5.176271 7.180260       7.645797 
1 1 1 21 17 4  o 75.15419 3.792675 56.98786       5.602437      50.85976       8.820225      63.10888       6.908822      71.02655 6.209104 79.28183 4.357128 -8.255280      7.585350 
1 1 1 21 17 5  o 78.52171 3.276458 62.12413       5.167447      68.75524       7.870899      55.49303       6.698411      82.71447 4.757874 74.32895 4.505924 8.385521       6.552917 
1 1 1 21 17 6  o 84.26980 3.072437 71.41194       5.112897      65.90018       8.125941      76.93786       6.210288      80.94937 5.019151 87.59023 3.545080 -6.640854      6.144874 
1 1 1 21 17 7  o 155.0148 2.500493 241.0153       7.729208      235.9853       12.29164      246.0453       9.372816      153.3334 4.008142 156.6962 2.990761 -3.362854      5.000985 
1 1 1 21 17 8  o 27.26286 6.406128 7.219123       4.131691      7.736294       6.641027      6.700537       4.917363      28.54808 9.715380 25.97763 8.352563 2.570452       12.81226 
1 1 1 21 17 9  o 42.20367 5.293739 18.38432       4.325098      17.54127       7.032093      19.22738       5.037800      40.72974 8.878966 43.67760 5.767030 -2.947865      10.58748 
1 1 1 21 17 10 o 118.6447 2.733372 141.4778       6.415030      130.8510       10.08127      152.1046       7.934660      114.1161 4.417112 123.1733 3.220933 -9.057243      5.466744 
1 1 1 21 17 11 o 195.7737 2.697722 385.1144       10.61969      408.6350       16.48567      361.6646       13.37557      201.6913 4.086857 189.8559 3.522557 11.83540       5.395443 
1 1 1 21 17 12 o 116.9455 3.225761 137.6522       7.495420      134.0391       12.75922      141.1944       7.863815      115.2572 5.535106 118.6338 3.314323 -3.376595      6.451521 
1 1 1 21 17 13 o 177.7634 2.555712 317.2447       9.054014      308.8850       14.26113      325.6753       11.15812      175.3194 4.067187 180.2074 3.095909 -4.888016      5.111425 
1 1 1 21 17 14 o 152.8427 3.114855 234.9935       9.564099      241.2987       15.82681      228.6882       10.74013      154.7423 5.113925 150.9430 3.557678 3.799377       6.229711 
1 1 1 21 17 15 o 74.48255 4.257686 56.18731       6.237917      52.99928       10.73304      59.37534       6.365439      72.13139 7.439927 76.83372 4.142348 -4.702332      8.515372 
1 1 1 21 17 16 o 99.87461 3.734316 101.2378       7.162447      86.78535       12.20662      115.6193       7.495420      92.45276 6.601547 107.2965 3.492855 -14.84370      7.468631 
1 1 1 21 17 17 o 167.4725 3.131774 282.3889       10.44966      279.1300       17.95925      285.6478       10.69762      166.2289 5.401964 168.7160 3.170304 -2.487091      6.263548 
1 1 1 21 17 18 o 44.74051 6.785958 20.99851       6.085601      18.29222       10.66220      23.69771       5.870940      41.15186 12.13691 48.32915 6.073912 -7.177288      13.57192 
1 1 1 21 17 19 o 54.41784 6.365188 31.12937       6.845061      33.93484       12.14995      28.32390       6.304513      55.98709 11.24655 52.84858 5.964694 3.138508       12.73038 
1 1 1 21 17 20 o 89.80529 6.852845 86.43112       13.51017      110.7310       25.87266      62.09580       7.785885      101.2797 12.77287 78.33088 4.969870 22.94882       13.70569 
1 1 1 21 17 21 o 68.04630 4.819881 47.55837       6.587184      49.13822       10.81806      45.97144       7.516674      68.89073 7.851607 67.20186 5.592608 1.688873       9.639762 
1 1 1 21 17 22 o 51.36746 5.513661 27.84216       5.294969      22.78381       8.345562      32.90050       6.522007      45.88291 9.418105 56.85201 5.735951 -10.96910      11.02732 
1 1 1 21 17 23 o 56.63588 4.692067 33.30432       5.064013      25.88683       7.970083      40.72181       6.251379      49.92394 7.982225 63.34782 4.934170 -13.42387      9.384133 
1 1 1 21 17 24 o 114.1959 3.110527 132.2680       7.183701      140.9111       11.99409      123.6957       7.899237      117.6575 5.097035 110.7343 3.566754 6.923248       6.221053 
1 1 1 21 17 25 o 134.5403 2.748369 183.2056       7.339560      174.1374       11.49817      192.3447       9.139028      130.9806 4.389266 138.0999 3.308847 -7.119308      5.496737 
1 1 1 21 17 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 17 27 o 87.95560 3.318211 79.06322       5.847561      83.03055       8.728126      75.16674       7.785885      90.08139 4.844578 85.82981 4.535653 4.251579       6.636421 
1 1 1 21 17 28 o 83.36831 3.407386 71.41194       5.694535      75.37926       8.515590      67.49420       7.559181      85.59884 4.974127 81.13778 4.658237 4.461060       6.814772 
1 1 1 21 17 29 o 70.21007 4.436323 54.77041       5.862438      78.70899       8.749379      30.86724       7.807138      87.03001 5.026646 53.39013 7.311407 33.63988       8.872645 
1 1 1 21 17 30 o 39.96454 6.350851 18.66062       5.198619      11.84531       7.771716      25.47593       6.910948      31.48318 10.50993 48.44590 7.132643 -16.96272      12.70170 
1 1 1 21 17 31 o 39.88260 8.026434 25.40508       6.767839      23.33640       9.833311      27.48084       9.301972      37.23460 11.79533 42.53060 10.88874 -5.295994      16.05287 
1 1 1 21 17 32 o 21.83928 6.428784 3.746293       4.684991      5.463580       6.723916      2.029006       6.525549      23.34805 9.392929 20.33051 8.780089 3.017546       12.85757 
1 1 1 21 17 33 o 21.60768 6.129550 4.288967       4.143734      2.788466       6.329308      5.788759       5.349519      20.50728 8.745653 22.70807 8.590638 -2.200790      12.25910 
1 1 1 21 17 34 o 23.60145 5.767765 5.647778       4.020463      13.31181       5.865273      -2.014128      5.501836      31.41319 8.918768 15.78971 7.316011 15.62349       11.53553 
1 1 1 21 17 35 o 16.51478 5.357348 -0.4838017     4.014796      0.8543928      5.952412      -1.822138      5.388484      17.65848 7.964501 15.37109 7.167388 2.287390       10.71470 
1 1 1 21 18 0  o 86.26762 4.614389 75.23758       7.913406      75.23758       7.913406      75.23758       7.913406      86.26762 4.614389 86.26762 4.614389 0.000000       0.000000 
1 1 1 21 18 1  o 141.9632 2.839175 202.2630       8.055097      198.6499       11.53359      205.9469       11.25730      140.6718 4.099470 143.2546 3.929124 -2.582794      5.678351 
1 1 1 21 18 2  o 69.99506 3.848245 49.52078       5.348811      43.36433       7.622942      55.67014       7.509589      65.59628 5.810499 74.39384 5.047185 -8.797562      7.696491 
1 1 1 21 18 3  o 50.16035 5.236419 26.36149       4.963413      18.95817       6.968331      33.76481       7.071057      42.46397 8.505178 57.85674 6.110833 -15.39277      10.47284 
1 1 1 21 18 4  o 145.7289 2.815928 213.2440       8.196787      203.0423       11.58319      223.5165       11.61152      142.2171 4.072359 149.2406 3.890203 -7.023453      5.631855 
1 1 1 21 18 5  o 111.1271 2.987716 123.9791       6.639610      122.5622       9.549930      125.4668       9.224042      110.4656 4.322582 111.7886 4.125661 -1.323074      5.975433 
1 1 1 21 18 6  o 117.9198 2.773787 139.7775       6.579392      150.8294       10.20170      128.7257       8.310139      122.5621 4.161852 113.2774 3.668047 9.284653       5.547575 
1 1 1 21 18 7  o 125.3375 3.117778 158.8349       8.019674      184.2683       13.60227      133.4723       8.515590      135.3341 5.025443 115.3409 3.691488 19.99318       6.235556 
1 1 1 21 18 8  o 73.63171 3.631635 54.91918       5.245378      46.17689       7.842561      63.66856       6.970457      67.66489 5.795148 79.59854 4.378509 -11.93365      7.263269 
1 1 1 21 18 9  o 132.3620 2.897258 176.0503       7.672533      173.8541       11.00226      178.1756       10.68345      131.5367 4.182199 133.1872 4.010690 -1.650497      5.794517 
1 1 1 21 18 10 o 20.72383 6.226044 0.3292176      4.514255      0.7530842      6.927950      -0.9479085E-01 5.788051      21.95520 9.246855 19.49245 8.339674 2.462751       12.45209 
1 1 1 21 18 11 o 167.9780 2.717803 283.3807       9.139028      285.3644       13.78647      281.4679       11.98701      168.5063 4.090787 167.4497 3.579285 1.056656       5.435607 
1 1 1 21 18 12 o 103.0801 3.044024 107.0471       6.242877      97.41212       9.025676      116.6820       8.628942      98.39412 4.586492 107.7661 4.003551 -9.371979      6.088048 
1 1 1 21 18 13 o 63.72587 4.186388 41.22481       5.362980      46.47443       8.203872      35.97518       6.905280      67.78451 6.051435 59.66723 5.786493 8.117279       8.372776 
1 1 1 21 18 14 o 175.0175 2.634216 307.8931       9.195704      302.1547       14.66495      313.5608       11.09435      173.2704 4.231812 176.7645 3.138173 -3.494171      5.268431 
1 1 1 21 18 15 o 119.2204 2.835496 142.8947       6.738085      139.4233       10.64095      146.4370       8.267632      117.6698 4.521529 120.7711 3.422853 -3.101295      5.670992 
1 1 1 21 18 16 o 78.35655 3.545553 61.98244       5.520965      59.63747       8.813140      64.32742       6.656613      76.76256 5.740520 79.95055 4.162956 -3.187996      7.091105 
1 1 1 21 18 17 o 57.96157 4.539756 34.23239       5.156112      30.48468       8.218040      37.98010       6.230834      54.60652 7.524779 61.31662 5.080869 -6.710098      9.079512 
1 1 1 21 18 18 o 66.94678 5.233880 45.80849       6.957705      45.11421       12.15703      46.49569       6.767131      66.04598 9.203462 67.84757 4.987011 -1.801590      10.46776 
1 1 1 21 18 19 o 80.50583 5.555987 67.07622       9.103605      74.31659       15.34507      59.81459       9.797889      84.46116 9.084096 76.55050 6.399624 7.910660       11.11197 
1 1 1 21 18 20 o 34.78582 9.346926 5.195786       12.21371      -1.678322      23.49935      12.07202       6.684951      36.15522 16.08078 33.41642 9.532506 2.738804       18.69385 
1 1 1 21 18 21 o 29.68142 7.830083 7.644195       6.628983      8.225125       11.81698      7.061139       6.016172      32.44287 12.64005 26.91996 9.245000 5.522915       15.66017 
1 1 1 21 18 22 o 23.77153 7.225023 0.7800054      6.345603      0.5249628      10.98809      1.035048       6.352687      26.47041 11.41205 21.07265 8.863911 5.397760       14.45005 
1 1 1 21 18 23 o 67.14422 5.038626 46.63738       6.728875      46.60196       11.81698      46.67280       6.444786      66.49296 8.885885 67.79548 4.753109 -1.302521      10.07725 
1 1 1 21 18 24 o 75.77521 4.049179 58.87234       6.154321      60.22548       10.38590      57.51920       6.600646      76.26151 6.809401 75.28891 4.383544 0.9725952      8.098358 
1 1 1 21 18 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 18 26 o 16.07702 5.275373 -5.440201      4.229457      -8.997337      6.565931      -1.883065      5.333934      15.21948 7.325721 16.93456 7.592894 -1.715077      10.55075 
1 1 1 21 18 27 o 67.06262 3.849850 46.60905       5.202161      50.52678       8.203872      42.69130       6.397319      69.69909 5.885208 64.42615 4.964848 5.272942       7.699700 
1 1 1 21 18 28 o 48.01317 4.922580 24.68954       4.717580      24.78164       7.495420      24.59744       5.730666      47.66248 7.863020 48.36386 5.924533 -0.7013893     9.845160 
1 1 1 21 18 29 o 39.94356 6.107553 17.95925       4.840142      15.39466       7.672533      20.53093       5.907071      35.98295 10.19574 43.90417 6.727232 -7.921219      12.21511 
1 1 1 21 18 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 18 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 18 32 o 29.57269 6.493660 10.92433       4.453328      7.488335       6.533343      14.36032       6.053721      25.27671 9.512082 33.86866 8.842556 -8.591949      12.98732 
1 1 1 21 18 33 o 41.19520 5.607378 20.93475       4.463246      22.21705       6.675033      19.65245       5.927616      42.22351 8.196925 40.16688 7.653835 2.056637       11.21476 
1 1 1 21 18 34 o 25.10942 6.338537 8.536844       4.138067      6.476666       6.091977      10.59844       5.602437      22.66577 9.006833 27.55306 8.921053 -4.887295      12.67707 
1 1 1 21 19 0  o 295.9022 4.031131 877.7718       23.84649      877.7718       23.84649      877.7718       23.84649      295.9022 4.031131 295.9022 4.031131 0.000000       0.000000 
1 1 1 21 19 1  o 17.39034 5.506634 -4.790551      4.247169      1.192324       6.104020      -10.77555      5.906363      21.14639 8.779351 13.63430 6.649441 7.512095       11.01327 
1 1 1 21 19 2  o 34.98537 6.077062 12.97884       4.252128      10.64095       5.928325      15.32381       6.096936      31.85935 8.941339 38.11140 8.232570 -6.252045      12.15412 
1 1 1 21 19 3  o 102.5023 2.915890 105.7010       5.951704      113.9190       8.182618      97.41212       8.643111      106.5399 3.840166 98.46468 4.388940 8.075211       5.831781 
1 1 1 21 19 4  o 58.81073 4.177030 35.64221       4.849352      25.36257       6.375357      45.92184       7.311223      50.10556 6.361927 67.51591 5.414444 -17.41035      8.354060 
1 1 1 21 19 5  o 210.9860 2.665834 446.8206       11.25021      445.3328       15.01209      448.3083       16.76197      210.6769 3.562824 211.2952 3.966482 -0.6182861     5.331669 
1 1 1 21 19 6  o 37.52060 6.076129 14.95542       4.473165      13.29764       6.213830      16.61319       6.436993      35.39639 8.803317 39.64481 8.377291 -4.248425      12.15226 
1 1 1 21 19 7  o 114.8731 2.788847 132.6222       6.388110      128.3715       9.705790      136.8020       8.310139      112.9985 4.294653 116.7476 3.559019 -3.749077      5.577693 
1 1 1 21 19 8  o 21.72304 5.882490 -3.379315      4.727499      -15.86932      6.708330      9.110690       6.662989      13.33622 6.618344 30.10986 9.726883 -16.77364      11.76498 
1 1 1 21 19 9  o 83.03217 3.683295 69.81792       6.063639      60.23257       8.657280      79.41744       8.494337      77.24957 5.603449 88.81477 4.782052 -11.56520      7.366591 
1 1 1 21 19 10 o 228.0630 2.834987 522.6249       12.93633      525.9546       19.71621      519.2242       16.75488      228.7139 4.310235 227.4122 3.683814 1.301682       5.669975 
1 1 1 21 19 11 o 56.77082 5.968494 34.12612       6.056554      24.15821       9.932493      44.09404       6.935743      47.42010 10.72310 66.12154 5.244692 -18.70144      11.93699 
1 1 1 21 19 12 o 145.5964 2.829912 213.3857       8.196787      198.9332       12.17829      227.9089       10.97392      140.5788 4.331481 150.6140 3.643060 -10.03523      5.659824 
1 1 1 21 19 13 o 89.78922 3.739325 81.47195       6.708330      75.73349       9.365732      87.28126       9.606606      86.58505 5.408401 92.99338 5.165210 -6.408325      7.478649 
1 1 1 21 19 14 o 72.34865 3.959054 53.15514       5.761130      60.34592       8.841478      45.96435       7.382068      77.24765 5.722814 67.44965 5.472281 9.798004       7.918109 
1 1 1 21 19 15 o 42.52262 6.340787 19.42575       5.258838      22.65629       8.040927      16.19521       6.776341      46.13888 9.036019 38.90636 8.897904 7.232513       12.68157 
1 1 1 21 19 16 o 101.6893 3.300575 104.3549       6.735251      109.5266       10.29380      99.18325       8.685618      104.1588 4.941398 99.21979 4.376959 4.939041       6.601151 
1 1 1 21 19 17 o 106.4070 3.402249 114.3441       7.247461      116.1152       11.05893      112.5730       9.372816      107.1535 5.160323 105.6606 4.435341 1.492874       6.804497 
1 1 1 21 19 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 19 19 o 96.78883 3.559314 95.07423       6.913073      97.83719       11.04476      92.24043       8.317224      98.04287 5.632619 95.53478 4.352982 2.508087       7.118627 
1 1 1 21 19 20 o 61.19457 4.508238 38.29182       5.475624      36.68364       8.721042      39.90000       6.628275      59.70083 7.303953 62.68831 5.286691 -2.987476      9.016476 
1 1 1 21 19 21 o 63.01965 5.447889 41.28857       7.015089      45.40467       12.46167      37.16538       6.453288      65.59971 9.498264 60.43958 5.338627 5.160130       10.89578 
1 1 1 21 19 22 o 58.30571 5.736243 36.84658       7.066098      50.20089       12.39082      23.49226       6.799720      68.96817 8.983001 47.64325 7.136080 21.32492       11.47249 
1 1 1 21 19 23 f 62.75912 5.606704 41.27440       6.886859      38.70272       11.71779      43.84608       7.240376      60.06345 9.754512 65.45478 5.530824 -5.391331      11.21341 
1 1 1 21 19 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 19 25 o 32.57961 7.411132 12.20662       6.360480      24.02360       11.11561      0.3943951      6.186202      45.13161 12.07446 20.02760 8.596910 25.10401       14.82226 
1 1 1 21 19 26 o 67.09280 5.177728 47.82758       6.620482      42.06786       11.54068      53.58021       6.491544      61.82323 9.333611 72.36236 4.485442 -10.53912      10.35546 
1 1 1 21 19 27 o 78.81710 3.543997 64.30617       5.546469      61.57154       8.756464      67.03371       6.805388      76.74964 5.704564 80.88456 4.206852 -4.134918      7.087994 
1 1 1 21 19 28 o 23.83754 6.167637 2.393150       4.733875      -5.354478      7.431659      10.13795       5.868106      17.91566 8.378419 29.75942 9.053236 -11.84376      12.33527 
1 1 1 21 19 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 19 30 o 34.14244 6.643499 14.22571       4.902486      11.84531       7.828392      16.59903       5.906363      30.67363 10.54475 37.61124 8.084100 -6.937611      13.28700 
1 1 1 21 19 31 o 50.07915 5.154080 28.87649       4.711913      21.81323       7.304138      35.93267       5.954537      42.11964 8.941101 58.03865 5.129803 -15.91902      10.30816 
1 1 1 21 19 32 o 37.08044 6.003740 17.44917       4.398069      19.86499       6.939286      15.03335       5.405487      39.22982 9.026352 34.93106 7.918620 4.298763       12.00748 
1 1 1 21 19 33 o 20.44859 6.083225 3.941826       4.237250      4.132399       6.288218      3.751252       5.681075      20.80573 8.788396 20.09145 8.413479 0.7142754      12.16645 
1 1 1 21 19 34 o 33.11205 6.893935 17.19412       4.935075      18.79523       6.737377      15.60011       7.212039      35.47374 9.359550 30.75035 10.12443 4.723387       13.78787 
1 1 1 21 20 0  o 171.4893 3.545857 294.9993       12.14995      294.9993       12.14995      294.9993       12.14995      171.4893 3.545857 171.4893 3.545857 0.000000       0.000000 
1 1 1 21 20 1  f 114.0239 2.700887 130.5677       6.157863      130.9219       8.678535      130.2134       8.742295      114.1810 3.800340 113.8668 3.838825 0.3142090      5.401774 
1 1 1 21 20 2  o 27.03915 6.451154 6.974707       4.164279      7.991336       5.759005      5.961622       6.016172      28.19902 9.036374 25.87929 9.209423 2.319729       12.90231 
1 1 1 21 20 3  o 128.6553 2.584234 166.3445       6.648820      156.9221       9.216957      175.6960       9.585353      125.0171 3.686278 132.2934 3.622763 -7.276283      5.168468 
1 1 1 21 20 4  o 23.82106 6.386677 3.868147       4.307387      6.530509       6.169907      1.206493       6.012630      26.67032 9.342658 20.97180 8.710527 5.698523       12.77335 
1 1 1 21 20 5  o 51.51426 4.474205 26.87866       4.604228      28.49393       6.533343      25.26339       6.489419      53.07998 6.154244 49.94855 6.496103 3.131424       8.948411 
1 1 1 21 20 6  o 87.09464 3.161454 76.37110       5.501836      80.90520       7.870899      71.83701       7.693786      89.69173 4.387751 84.49753 4.552670 5.194206       6.322907 
1 1 1 21 20 7  o 71.79829 3.725481 51.97202       5.353770      51.37692       7.268716      52.56712       7.856731      71.40660 5.089666 72.18998 5.441704 -0.7833786     7.450963 
1 1 1 21 20 8  o 131.2842 2.781340 173.2873       7.318307      162.5897       9.670367      184.0558       10.99517      127.2356 3.800182 135.3329 4.062269 -8.097290      5.562680 
1 1 1 21 20 9  o 106.6741 3.072365 114.5566       6.514214      109.1016       10.16628      120.0117       8.147196      104.0463 4.885461 109.3018 3.726926 -5.255516      6.144730 
1 1 1 21 20 10 o 108.9383 3.047509 119.7283       6.709038      130.7802       10.78972      108.6765       7.977167      113.9024 4.736390 103.9743 3.836124 9.928070       6.095017 
1 1 1 21 20 11 o 26.02996 6.571200 5.519547       4.750877      11.87365       7.778800      -0.8310140     5.455079      33.77078 10.45400 18.28913 7.964707 15.48165       13.14240 
1 1 1 21 20 12 o 103.2749 3.135663 107.4013       6.496503      110.7310       10.20170      104.0716       8.048012      104.8058 4.866959 101.7441 3.955027 3.061676       6.271326 
1 1 1 21 20 13 o 60.58513 4.458387 37.37791       5.466414      41.34525       8.827310      33.40350       6.451871      63.71927 6.926718 57.45099 5.615108 6.268284       8.916775 
1 1 1 21 20 14 o 79.92939 3.830985 64.63206       6.134484      65.82934       9.479085      63.43477       7.785885      80.58835 5.881176 79.27043 4.910964 1.317917       7.661971 
1 1 1 21 20 15 o 51.71404 5.559168 27.49501       5.774590      30.68304       8.798972      24.31407       7.481250      54.68932 8.044506 48.73875 7.674849 5.950569       11.11834 
1 1 1 21 20 16 o 35.31055 7.726463 13.15595       6.068598      12.14286       9.181536      14.16904       7.941744      34.37820 11.42350 36.24289 10.40657 -1.864685      15.45293 
1 1 1 21 20 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 20 18 o 42.82760 6.856879 19.73747       5.940369      14.04151       8.869816      25.42633       7.899237      36.08617 11.16152 49.56903 7.967916 -13.48286      13.71376 
1 1 1 21 20 19 o 21.95185 6.704364 -0.4674365     5.466414      2.931573       8.480167      -3.866021      6.903154      25.36579 10.42016 18.53792 8.438856 6.827866       13.40873 
1 1 1 21 20 20 o 65.46387 4.521919 43.95943       5.899278      42.33708       8.947746      45.58887       7.686701      64.09664 6.979887 66.83110 5.750842 -2.734459      9.043838 
1 1 1 21 20 21 o 86.45419 3.825207 76.44194       6.530509      67.94761       9.833311      85.01421       8.593520      81.40417 6.039808 91.50421 4.695697 -10.10004      7.650415 
1 1 1 21 20 22 o 67.04565 4.360521 46.31858       5.864564      49.01070       8.862731      43.62646       7.679617      68.91190 6.430480 65.17941 5.891138 3.732498       8.721043 
1 1 1 21 20 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 20 24 o 45.20929 7.215154 23.17346       6.519173      24.37783       10.98100      21.96201       7.033509      45.53511 11.91902 44.88346 8.134536 0.6516495      14.43031 
1 1 1 21 20 25 o 29.94458 7.622997 9.401155       6.231542      10.47800       11.09435      8.331393       5.683908      32.19604 12.31517 27.69312 8.987596 4.502922       15.24599 
1 1 1 21 20 26 o 64.01884 5.360010 44.15780       6.847187      45.72348       12.19954      42.58503       6.227291      63.79229 9.561923 64.24538 4.846489 -0.4530945     10.72002 
1 1 1 21 20 27 o 77.21129 4.952543 63.94485       7.601687      65.15631       13.46058      62.73340       7.068224      76.40665 8.808517 78.01594 4.529987 -1.609291      9.905087 
1 1 1 21 20 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 20 29 o 17.99622 5.838540 -2.381815      4.825974      -2.390316      7.764632      -2.374022      5.729958      19.35276 8.855622 16.63967 7.611316 2.713087       11.67708 
1 1 1 21 20 30 o 35.64568 6.629065 16.40774       4.930825      21.72822       7.445828      11.09435       6.462497      41.77884 9.161179 29.51251 9.583883 12.26633       13.25813 
1 1 1 21 20 31 o 19.34968 5.999678 1.041424       4.539759      4.650278       6.864190      -2.567429      5.943910      22.34247 9.295068 16.35688 7.588561 5.985592       11.99936 
1 1 1 21 20 32 o 29.24054 6.692379 12.03660       4.502211      11.37774       6.658739      12.69546       6.062222      28.19785 9.722093 30.28324 9.199602 -2.085396      13.38476 
1 1 1 21 20 33 o 17.13363 5.509477 0.4375398      4.136650      2.249334       6.506421      -1.374396      5.110771      19.00521 8.457004 15.26205 7.063739 3.743168       11.01895 
1 1 1 21 21 0  o 67.22814 5.082129 46.13438       6.755795      46.13438       6.755795      46.13438       6.755795      67.22814 5.082129 67.22814 5.082129 0.000000       0.000000 
1 1 1 21 21 1  o 41.81409 5.494278 18.34182       4.424990      18.56852       6.391652      18.11511       6.121023      42.05492 7.890210 41.57325 7.648069 0.4816666      10.98856 
1 1 1 21 21 2  o 71.75195 3.502884 51.87284       5.024340      49.96002       7.091603      53.78566       7.119940      70.42004 5.035216 73.08385 4.871076 -2.663811      7.005768 
1 1 1 21 21 3  o 141.5110 2.595736 201.0586       7.346645      202.8297       10.54176      199.2875       10.23713      142.1285 3.708532 140.8935 3.632930 1.234985       5.191473 
1 1 1 21 21 4  o 91.01005 3.108294 83.38477       5.645652      78.49645       8.083434      88.27309       7.885069      88.31786 4.576331 93.70224 4.207513 -5.384384      6.216588 
1 1 1 21 21 5  o 36.04543 5.338234 13.77230       4.499377      27.46668       6.672907      0.7481251E-01  6.036717      52.06963 6.407677 20.02122 8.539826 32.04841       10.67647 
1 1 1 21 21 6  o 67.35982 3.786403 45.93601       5.093768      50.72515       7.389152      41.15396       7.013672      70.89502 5.211334 63.82462 5.494488 7.070396       7.572807 
1 1 1 21 21 7  o 24.60493 6.168874 3.968747       4.318014      10.18045       6.315848      -2.242958      5.890069      31.21923 9.371360 17.99064 8.024815 13.22860       12.33775 
1 1 1 21 21 8  o 63.80977 4.229464 42.09620       5.209246      54.22490       7.318307      29.97460       7.417490      73.31583 4.990946 54.30370 6.829636 19.01213       8.458928 
1 1 1 21 21 9  o 81.06242 3.384755 66.26150       5.480583      62.79716       7.785885      69.73291       7.715039      78.92055 4.932737 83.20430 4.636203 -4.283752      6.769510 
1 1 1 21 21 10 o 147.0562 2.726351 217.4239       8.012589      209.2767       11.38482      225.6419       11.27855      144.2705 3.945651 149.8420 3.763483 -5.571472      5.452702 
1 1 1 21 21 11 o 33.00815 6.907767 11.15103       5.084558      9.216957       8.189702      13.09219       6.026799      31.01769 10.77349 34.99862 8.648752 -3.980932      13.81553 
1 1 1 21 21 12 o 50.09968 5.890239 26.14187       5.778132      26.26231       8.543928      26.02143       7.778800      49.77565 8.904076 50.42371 7.713436 -0.6480637     11.78048 
1 1 1 21 21 13 o 23.72696 6.658492 1.883773       5.217747      9.394071       8.551013      -5.626524      5.980042      31.41209 10.99914 16.04183 7.507389 15.37026       13.31698 
1 1 1 21 21 14 o 49.36810 5.981845 25.68138       5.868815      30.25797       9.337394      21.11186       7.119940      54.12372 8.625973 44.61248 8.289903 9.511238       11.96369 
1 1 1 21 21 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 21 16 o 78.53232 4.464033 63.23640       6.881900      56.25815       10.79680      70.20757       8.536844      73.89423 7.305580 83.17040 5.132140 -9.276169      8.928066 
1 1 1 21 21 17 o 126.0744 3.058582 160.6060       7.665448      154.7967       12.17829      166.4153       9.323226      123.6051 4.926288 128.5436 3.626483 -4.938530      6.117163 
1 1 1 21 21 18 o 74.93393 3.974398 57.17914       5.924074      55.62763       9.542846      58.73774       7.025008      73.69484 6.474568 76.17303 4.611217 -2.478188      7.948796 
1 1 1 21 21 19 f 93.61197 3.350960 88.91070       6.300261      92.31127       10.06710      85.58098       7.580434      95.21922 5.286275 92.00472 4.119589 3.214500       6.701919 
1 1 1 21 21 20 o 45.99364 6.084110 22.62086       5.469956      22.30206       8.253463      22.93258       7.183701      45.06736 9.458449 46.91992 7.655280 -1.852562      12.16822 
1 1 1 21 21 21 o 23.35915 6.784183 -0.9330310E-01 5.727124      -6.373232      9.301972      6.186202       6.688493      20.55679 9.520193 26.16150 9.667805 -5.604715      13.56837 
1 1 1 21 21 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 21 23 o 29.00159 7.526244 8.161365       5.771757      6.267673       7.899237      10.06001       8.416408      27.01312 10.37449 30.99005 10.90630 -3.976925      15.05249 
1 1 1 21 21 24 o 74.01398 6.082552 61.55738       7.552096      37.88091       12.24913      85.22675       8.848563      56.94285 11.15331 91.08510 4.857306 -34.14225      12.16510 
1 1 1 21 21 25 f 67.31157 4.614609 47.94093       6.225166      49.48536       9.634944      46.39651       7.885069      68.07289 7.076931 66.55025 5.924147 1.522644       9.229218 
1 1 1 21 21 26 f 64.61538 4.631614 44.60412       5.929033      38.83733       8.508506      50.37092       8.260548      60.09239 7.079520 69.13837 5.973925 -9.045975      9.263227 
1 1 1 21 21 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 21 28 o 59.52839 7.614869 45.43301       8.402238      33.39642       13.36140      57.46252       10.20170      47.36585 13.46554 71.69093 7.115060 -24.32508      15.22974 
1 1 1 21 21 29 o 32.24022 8.319255 14.73580       7.197870      14.99084       11.72488      14.47367       8.366816      32.01685 12.56675 32.46359 10.90490 -0.4467354     16.63851 
1 1 1 21 21 30 o 27.72551 7.951284 10.63386       7.743378      13.12053       14.23988      8.154280       6.086309      29.88023 12.93803 25.57079 9.246572 4.309439       15.90257 
1 1 1 21 21 31 o 21.65582 7.111202 4.725374       7.275800      11.09435       13.50309      -1.643608      5.433825      27.36544 12.18001 15.94619 7.343298 11.41925       14.22240 
1 1 1 21 21 32 o 25.00173 5.856827 5.756171       4.636817      -3.770380      7.226208      15.28131       5.809304      16.59888 7.915249 33.40457 8.634727 -16.80568      11.71365 
1 1 1 21 22 0  o 28.16040 11.52256 11.27855       6.365439      11.27855       6.365439      11.27855       6.365439      28.16040 11.52256 28.16040 11.52256 0.000000       0.000000 
1 1 1 21 22 1  o 104.2255 2.959545 109.3141       6.171323      109.8809       8.756464      108.7474       8.692703      104.4950 4.189898 103.9560 4.180954 0.5389938      5.919090 
1 1 1 21 22 2  o 97.80127 3.016827 96.42028       5.901403      103.9299       8.593520      88.91070       8.090520      101.6213 4.228209 93.98126 4.304326 7.640015       6.033654 
1 1 1 21 22 3  o 22.07041 6.089133 0.4088476E-01  4.557470      -7.665448      6.444077      7.743378       6.446203      15.87613 7.529315 28.26468 9.571812 -12.38855      12.17827 
1 1 1 21 22 4  o 58.09916 4.312129 34.31032       4.979708      30.15171       7.066806      38.47602       7.018632      54.51469 6.481562 61.68363 5.689218 -7.168945      8.624259 
1 1 1 21 22 5  o 60.54356 4.198427 37.17955       5.069681      40.78557       7.233293      33.57353       7.105771      63.51519 5.694145 57.57192 6.171213 5.943264       8.396853 
1 1 1 21 22 6  o 81.68616 3.449780 67.91927       5.585434      54.57913       7.658363      81.25941       8.133026      73.54014 5.206928 89.83218 4.526789 -16.29205      6.899559 
1 1 1 21 22 7  o 147.7389 2.658376 219.3367       7.856731      221.8871       11.17229      216.8571       11.04476      148.5858 3.759539 146.8920 3.759483 1.693817       5.316751 
1 1 1 21 22 8  o 60.30260 4.353466 37.29290       5.166739      45.10004       7.353730      29.48576       7.261631      66.77057 5.506715 53.83463 6.744386 12.93594       8.706931 
1 1 1 21 22 9  o 103.4600 3.115814 107.8264       6.445494      108.1097       9.153197      107.6138       9.082352      103.5768 4.418557 103.3433 4.394264 0.2334900      6.231629 
1 1 1 21 22 10 o 82.84180 3.895528 69.46369       6.442660      67.91219       9.712874      70.98687       8.465999      81.84701 5.933555 83.83659 5.049108 -1.989586      7.791056 
1 1 1 21 22 11 o 83.44862 3.680775 70.42719       6.147944      73.11222       8.983169      67.72799       8.395153      85.03094 5.282294 81.86629 5.127357 3.164658       7.361550 
1 1 1 21 22 12 o 52.55458 5.817134 28.88358       5.946744      31.66780       8.310139      26.10645       8.508506      55.58269 7.475475 49.52647 8.914789 6.056217       11.63427 
1 1 1 21 22 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 22 14 f 36.71159 7.634726 13.70146       6.542552      9.202788       10.88890      18.20012       7.254546      32.46995 12.26434 40.95323 9.096269 -8.483280      15.26945 
1 1 1 21 22 15 o 68.06676 4.605363 47.39542       6.258463      47.16164       10.04585      47.63630       7.467082      67.66659 7.423048 68.46692 5.453058 -0.8003311     9.210727 
1 1 1 21 22 16 o 111.2879 3.307721 125.3251       7.353730      124.7584       11.60444      125.9627       9.039845      110.8515 5.234230 111.7243 4.045605 -0.8728104     6.615443 
1 1 1 21 22 17 o 94.50232 3.538314 90.68183       6.677158      89.97337       10.50634      91.39028       8.246379      93.95503 5.591154 95.04960 4.337934 -1.094566      7.076629 
1 1 1 21 22 18 o 100.2662 3.412238 102.0879       6.822391      100.1751       10.71888      104.0716       8.444746      99.11063 5.407531 101.4218 4.163182 -2.311142      6.824476 
1 1 1 21 22 19 o 22.02723 6.226522 -0.6822391     4.927990      -8.225125      7.729208      6.862772       6.117482      17.52121 8.279454 26.53324 9.302094 -9.012037      12.45304 
1 1 1 21 22 20 o 27.69057 6.910590 7.374983       5.004504      12.23496       7.771716      2.516421       6.306637      33.30353 10.47748 22.07761 9.013733 11.22592       13.82118 
1 1 1 21 22 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 22 22 o 57.14847 4.807076 34.89125       5.626524      44.78832       9.309056      24.98709       6.322224      65.30656 7.127199 48.99038 6.452516 16.31618       9.614153 
1 1 1 21 22 23 o 69.09358 4.390496 49.97419       5.992085      44.82375       9.039845      55.11754       7.863815      65.16088 6.936558 73.02628 5.384237 -7.865395      8.780993 
1 1 1 21 22 24 o 27.68546 6.982308 7.530843       5.146902      3.712287       7.658363      11.34940       6.877649      24.03563 9.892880 31.33528 9.856035 -7.299648      13.96462 
1 1 1 21 22 25 o 39.73086 7.145640 18.75980       5.756171      17.56960       8.876901      19.94292       7.332476      37.92047 11.03944 41.54125 9.075869 -3.620781      14.29128 
1 1 1 21 22 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 22 27 o 21.64897 6.926265 -0.5969415     6.496503      -2.532007      9.401155      1.338265       8.969000      20.84621 9.622287 22.45172 9.965148 -1.605515      13.85253 
1 1 1 21 22 28 o 37.88624 7.532745 19.55327       5.987834      21.36691       9.337394      17.73255       7.495420      39.01263 11.31081 36.75985 9.951615 2.252777       15.06549 
1 1 1 21 22 29 o 46.09110 6.463797 26.75114       5.780259      23.43558       8.954830      30.05961       7.311223      41.08836 10.76722 51.09385 7.154699 -10.00549      12.92759 
1 1 1 21 22 30 o 25.76887 6.699151 -1.907152      7.651280      -18.95109      13.70854      15.13961       6.804679      18.58279 9.254643 32.95494 9.688449 -14.37214      13.39830 
1 1 1 21 22 31 o 33.02419 7.253330 16.57777       6.245711      12.42624       10.44258      20.72930       6.858521      27.13673 11.38722 38.91166 8.987454 -11.77494      14.50666 
1 1 1 21 23 0  o 87.70364 4.796059 77.92970       8.359732      77.92970       8.359732      77.92970       8.359732      87.70364 4.796059 87.70364 4.796059 0.000000       0.000000 
1 1 1 21 23 1  o 88.27075 3.298906 78.56730       5.824182      82.81801       8.437660      74.38744       8.033843      90.64099 4.654440 85.90051 4.676249 4.740479       6.597811 
1 1 1 21 23 2  o 93.48637 3.175121 88.06055       5.936826      87.70633       8.451830      88.41478       8.338477      93.29214 4.529766 93.68062 4.450481 -0.3884811     6.350241 
1 1 1 21 23 3  o 109.4591 3.025630 121.0744       6.617648      135.3143       9.684536      106.8345       9.018591      115.9364 4.176659 102.9818 4.378730 12.95461       6.051260 
1 1 1 21 23 4  o 59.94769 4.556153 36.73323       5.437367      42.33708       7.906322      31.12937       7.467082      64.59401 6.120012 55.30136 6.751265 9.292652       9.112306 
1 1 1 21 23 5  o 32.44271 6.881350 10.99517       4.896110      8.416408       6.912364      13.56685       6.937160      29.30894 9.911865 35.57648 9.548133 -6.267536      13.76270 
1 1 1 21 23 6  o 52.15759 4.979810 27.75006       5.185867      29.11028       7.162447      26.38983       7.495420      53.48455 6.695809 50.83064 7.372935 2.653912       9.959620 
1 1 1 21 23 7  o 92.27562 3.620742 86.07689       6.695578      80.55096       8.947746      91.67366       9.960832      89.31293 5.009211 95.23830 5.229425 -5.925369      7.241483 
1 1 1 21 23 8  f 158.5480 2.823271 252.9881       8.954830      255.8219       12.65295      250.1543       12.66712      159.4423 3.967878 157.6538 4.017385 1.788498       5.646543 
1 1 1 21 23 9  o 122.0459 3.525993 150.5460       8.607689      151.0419       13.20554      150.0501       11.04476      122.1336 5.406187 121.9582 4.528095 0.1754303      7.051986 
1 1 1 21 23 10 o 102.4854 3.697855 106.4095       7.580434      105.6302       10.71179      107.2596       10.72596      102.0888 5.246310 102.8820 5.212751 -0.7931442     7.395711 
1 1 1 21 23 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 23 12 o 162.4759 3.058432 266.8029       9.939578      260.2852       13.82190      273.3915       14.28947      160.4881 4.306206 164.4638 4.344261 -3.975723      6.116863 
1 1 1 21 23 13 o 22.39292 6.695657 -0.6700537     5.474916      4.908154       7.792970      -6.248545      7.693786      26.26710 10.25839 18.51874 8.607710 7.748354       13.39131 
1 1 1 21 23 14 o 46.92999 6.013639 25.05086       5.635026      38.55395       9.266549      11.54068       6.415030      61.12707 7.579743 32.73289 9.338251 28.39418       12.02728 
1 1 1 21 23 15 o 81.62274 3.805197 67.96178       6.291760      74.31659       10.30797      61.57154       7.212039      85.27702 6.043817 77.96847 4.624972 7.308556       7.610393 
1 1 1 21 23 16 o 18.14431 5.943012 -4.760796      5.070390      -3.873106      8.210957      -5.648486      5.953829      20.43011 9.274353 15.85852 7.433971 4.571589       11.88602 
1 1 1 21 23 17 f 20.62964 6.335695 -0.7970083     5.019381      -2.809011      8.239295      1.214286       5.737042      21.01619 9.429583 20.24309 8.464460 0.7730942      12.67139 
1 1 1 21 23 18 o 45.55133 6.137326 22.93258       5.540093      28.47268       9.273635      17.39958       6.061513      50.94202 9.456428 40.16063 7.825796 10.78139       12.27465 
1 1 1 21 23 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 23 20 o 111.2427 4.122558 128.7965       9.386987      149.3416       15.75597      108.2514       10.20879      119.6808 6.582496 102.8045 4.965146 16.87626       8.245115 
1 1 1 21 23 21 o 48.89752 6.372632 26.58820       5.952412      20.67262       8.969000      32.51085       7.828392      42.22427 10.62211 55.57077 7.043623 -13.34651      12.74526 
1 1 1 21 23 22 o 59.84144 5.093467 38.24931       6.125274      44.70331       9.408240      31.79531       7.842561      64.90565 7.247627 54.77722 7.158597 10.12843       10.18693 
1 1 1 21 23 23 o 21.68357 6.848488 -0.8232210     6.118190      -0.6503587     9.847479      -0.9967917     7.261631      23.27030 10.37811 20.09684 8.938795 3.173458       13.69698 
1 1 1 21 23 24 o 23.67360 9.688702 0.000000       0.000000      ?              ?             3.753378       7.304138      ?        ?        23.67360 9.688702 ?              ?        
1 1 1 21 23 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 23 26 o 24.21346 7.008974 4.980416       5.574807      4.213871       9.117774      5.746252       6.412197      24.52121 10.47837 23.90571 9.311637 0.6155014      14.01795 
1 1 1 21 23 27 o 24.58215 6.830573 6.772090       4.954912      8.820225       7.842561      4.721123       6.058680      26.89084 10.33440 22.27347 8.934598 4.617371       13.66115 
1 1 1 21 23 28 o 27.28507 6.809243 9.472000       4.763630      8.699788       7.523758      10.24421       5.846144      26.34129 10.12247 28.22886 9.110363 -1.887562      13.61849 
1 1 1 21 23 29 o 24.72014 6.681308 7.977167       4.632566      10.16628       7.304138      5.787343       5.705162      27.03340 10.08035 22.40689 8.771894 4.626503       13.36262 
1 1 1 21 23 30 o 17.14285 5.566644 -1.411945      4.519214      -4.050928      7.098687      1.227747       5.595352      16.46143 7.848605 17.82427 7.896171 -1.362837      11.13329 
1 1 1 21 24 0  o 102.9718 4.626265 107.1179       9.486169      107.1179       9.486169      107.1179       9.486169      102.9718 4.626265 102.9718 4.626265 0.000000       0.000000 
1 1 1 21 24 1  o 71.80623 4.091434 52.41126       5.836935      46.43901       8.345562      58.38351       8.168448      67.63754 6.169327 75.97491 5.375754 -8.337379      8.182868 
1 1 1 21 24 2  o 40.71320 6.342182 17.95925       5.407613      7.750463       7.438744      28.16804       7.849646      28.93583 10.24620 52.49059 7.477194 -23.55476      12.68436 
1 1 1 21 24 3  o 55.62922 5.091299 31.90867       5.586143      38.34849       7.984251      25.47593       7.814223      61.40196 6.501626 49.85648 7.836719 11.54549       10.18260 
1 1 1 21 24 4  o 38.81893 7.237706 16.28731       5.720748      14.89874       8.196787      17.66879       7.977167      37.20770 10.53689 40.43015 9.925296 -3.222450      14.47541 
1 1 1 21 24 5  o 88.64860 3.761103 79.55913       6.668657      79.77167       9.585353      79.34660       9.273635      88.75034 5.400178 88.54686 5.236568 0.2034760      7.522205 
1 1 1 21 24 6  o 49.81481 6.378328 26.21272       6.213122      23.72605       8.643111      28.69938       8.926493      46.94347 9.537712 52.68615 8.471384 -5.742683      12.75666 
1 1 1 21 24 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 24 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 24 9  o 82.73261 4.994433 70.40594       8.253463      69.75417       12.38374      71.05771       10.92433      82.19124 7.533489 83.27399 6.559267 -1.082748      9.988866 
1 1 1 21 24 10 o 108.1225 3.484725 118.5240       7.530843      125.1126       10.79680      112.0062       10.50634      111.1332 4.857596 105.1118 4.997699 6.021439       6.969450 
1 1 1 21 24 11 o 97.65388 3.915516 96.98705       7.637110      97.69550       9.727042      96.20776       11.78155      98.18849 4.953250 97.11929 6.065506 1.069206       7.831032 
1 1 1 21 24 12 o 30.94977 7.331101 9.748297       5.365105      8.359732       7.474166      11.12978       7.700871      29.36278 10.28311 32.53677 10.45169 -3.173985      14.66220 
1 1 1 21 24 13 o 24.68861 6.840915 3.075389       5.233334      7.863815       7.332476      -1.710911      7.467082      28.68088 10.17105 20.69633 9.151073 7.984550       13.68183 
1 1 1 21 24 14 o 35.83936 6.898470 14.09111       5.322598      8.239295       7.289969      19.95000       7.757547      28.97556 10.15484 42.70317 9.339961 -13.72761      13.79694 
1 1 1 21 24 15 o 60.73090 4.152165 37.78882       5.056221      39.24823       7.800055      36.33649       6.440535      61.78953 6.311793 59.67228 5.396588 2.117245       8.304330 
1 1 1 21 24 16 o 45.65450 5.998225 23.15220       5.506087      31.95118       9.061099      14.36032       6.262005      55.13317 8.217465 36.17583 8.740026 18.95734       11.99645 
1 1 1 21 24 17 o 101.7026 3.615817 106.3386       7.141194      90.32761       11.31397      122.3496       8.713958      93.54994 6.047024 109.8552 3.966109 -16.30529      7.231634 
1 1 1 21 24 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 24 19 o 69.04376 4.552761 49.79708       6.349853      56.34317       10.04585      43.25806       7.771716      73.42924 6.840495 64.65828 6.009838 8.770966       9.105521 
1 1 1 21 24 20 o 25.81950 7.184369 3.725748       6.006254      -0.5508921     9.989170      7.998421       6.675741      23.94132 10.58528 27.69768 9.716606 -3.756359      14.36874 
1 1 1 21 24 21 o 90.15994 4.312200 85.36844       7.913406      95.49931       13.24096      75.23758       8.664365      94.92261 6.974610 85.39729 5.072975 9.525322       8.624399 
1 1 1 21 24 22 o 57.50316 5.971462 37.02369       6.657322      38.04386       11.09435      36.00352       7.360813      56.79004 10.13244 58.21627 6.321956 -1.426231      11.94292 
1 1 1 21 24 23 f 23.05239 6.747831 -1.098100      6.038843      -9.486169      9.939578      7.289969       6.861355      19.45567 9.278852 26.64911 9.799786 -7.193432      13.49566 
1 1 1 21 24 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 24 25 o 57.98547 5.370791 37.73923       6.193994      37.22206       9.712874      38.26348       7.686701      56.72337 8.561616 59.24757 6.486934 -2.524200      10.74158 
1 1 1 21 24 26 o 34.66174 6.564768 14.97667       5.292135      7.247461       8.090520      22.69880       6.822391      25.69070 10.31662 43.63279 8.121091 -17.94209      13.12954 
1 1 1 21 24 27 o 27.95505 6.633208 10.10252       4.920906      18.41975       7.877984      1.786715       5.897153      36.61610 10.31731 19.29399 8.339723 17.32210       13.26642 
1 1 1 21 24 28 o 21.46912 6.322732 3.370814       4.886192      0.1805135      7.863815      6.560972       5.805762      19.70866 8.981197 23.22958 8.902016 -3.520918      12.64546 
1 1 1 21 24 29 o 20.29668 6.291600 3.102310       5.008754      2.666612       8.118857      3.538008       5.871648      20.72015 9.325880 19.87320 8.447775 0.8469486      12.58320 
1 1 1 21 25 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 25 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 25 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 25 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 25 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 25 5  o 51.41201 7.365098 29.03235       7.367898      39.24823       9.457831      18.81648       11.30689      61.62626 7.673540 41.19776 12.57360 20.42850       14.73020 
1 1 1 21 25 6  o 19.48786 6.318765 -6.249253      5.736334      -1.218537      8.104689      -11.27855      8.118857      21.97016 9.636570 17.00555 8.175797 4.964611       12.63753 
1 1 1 21 25 7  o 88.31557 3.841275 79.34660       6.787676      74.88335       9.301972      83.73900       9.889987      85.85222 5.417432 90.77892 5.447292 -4.926704      7.682549 
1 1 1 21 25 8  o 54.99467 6.155550 31.89450       6.601354      31.83782       10.19462      31.95118       8.388069      54.31848 9.736920 55.67085 7.533628 -1.352367      12.31110 
1 1 1 21 25 9  o 88.38080 4.107515 80.97604       7.240376      59.63747       9.273635      102.3713       11.11561      76.44159 6.065830 100.3200 5.540075 -23.87843      8.215031 
1 1 1 21 25 10 o 56.46332 5.194660 32.90050       5.866689      33.37516       8.352647      32.42584       8.239295      56.87133 7.343460 56.05530 7.349255 0.8160286      10.38932 
1 1 1 21 25 11 o 52.51730 5.327285 28.57186       5.596061      28.16096       7.814223      28.98276       8.012589      52.14972 7.492106 52.88489 7.575500 -0.7351723     10.65457 
1 1 1 21 25 12 f 22.14814 6.581840 0.1496250      5.190118      -4.400194      7.353730      4.699161       7.325392      18.86592 8.626705 25.43035 9.942959 -6.564428      13.16368 
1 1 1 21 25 13 f 73.01013 4.071319 54.59330       5.938951      57.30666       8.388069      51.87992       8.409323      74.87052 5.601717 71.14974 5.909595 3.720779       8.142637 
1 1 1 21 25 14 o 106.7361 3.302531 115.9027       7.054762      109.5975       9.649114      122.2079       10.29380      103.8397 4.646156 109.6325 4.694686 -5.792778      6.605062 
1 1 1 21 25 15 o 22.47076 6.803722 -0.1820013     5.664072      3.415446       7.332476      -3.779590      8.636027      24.06625 9.756202 20.87528 9.485730 3.190977       13.60744 
1 1 1 21 25 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 25 17 o 24.86676 7.208731 2.304594       6.298136      12.17120       10.76138      -7.559181      6.542552      33.93486 12.29288 15.79867 7.533152 18.13619       14.41746 
1 1 1 21 25 18 o 59.83156 6.612415 41.46568       6.741627      21.69988       10.89599      61.23857       7.934660      42.50676 12.18428 77.15636 5.141935 -34.64960      13.22483 
1 1 1 21 25 19 o 61.14336 5.342496 40.15505       6.708330      46.29733       11.58319      34.01277       6.770674      65.11815 8.893976 57.16857 5.921675 7.949581       10.68499 
1 1 1 21 25 20 o 17.39693 5.809831 -5.955245      5.185159      -2.564595      8.388069      -9.344479      6.100478      20.67161 9.381287 14.12224 6.856238 6.549372       11.61966 
1 1 1 21 25 21 o 29.81877 7.290520 10.28672       5.360146      12.44750       8.671450      8.118857       6.305221      32.42184 11.10165 27.21570 9.453051 5.206144       14.58104 
1 1 1 21 25 22 o 58.11658 6.357616 39.41825       7.204955      42.50711       12.22788      36.32232       7.615856      58.36977 10.87975 57.86338 6.580895 0.5063896      12.71523 
1 1 1 21 25 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 25 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 25 25 o 30.85630 7.109232 11.75322       5.532300      8.834394       9.103605      14.67912       6.286801      27.43770 10.97448 34.27490 9.040213 -6.837196      14.21846 
1 1 1 21 25 26 o 18.07689 5.948767 -3.061929      5.362272      -5.256004      8.692703      -0.8678535     6.284676      18.33934 8.719899 17.81443 8.094112 0.5249043      11.89753 
1 1 1 21 25 27 o 30.13778 7.453965 13.75105       5.834100      20.47426       9.004422      7.023591       7.417490      36.28801 11.25033 23.98755 9.781441 12.30046       14.90793 
1 1 1 21 25 28 o 18.79623 6.062090 0.6314431      5.054096      1.759086       7.452912      -0.4963413     6.828058      19.69985 8.897161 17.89262 8.236278 1.807226       12.12418 
1 1 1 21 26 0  o 13.74682 9.414911 -3.807928      7.800055      -3.807928      7.800055      -3.807928      7.800055      13.74682 9.414911 13.74682 9.414911 0.000000       0.000000 
1 1 1 21 26 1  o 95.48361 3.627452 92.59465       6.918032      98.04973       9.790804      87.06872       9.776634      98.35773 4.977140 92.60950 5.278419 5.748222       7.254904 
1 1 1 21 26 2  o 64.62540 5.214745 43.32183       6.731000      50.70389       10.05293      35.93267       8.954830      70.22910 7.157240 59.02169 7.586051 11.20741       10.42949 
1 1 1 21 26 3  o 154.6610 2.955578 241.5112       9.139028      238.8191       12.82298      244.2033       13.03551      153.8029 4.168639 155.5191 4.190969 -1.716156      5.911156 
1 1 1 21 26 4  o 29.31914 7.063908 6.657322       5.677533      14.74288       7.913406      -1.429656      8.147196      36.74767 10.33599 21.89061 9.631327 14.85705       14.12782 
1 1 1 21 26 5  o 42.76262 6.861434 19.97126       5.742710      21.45192       7.941744      18.49059       8.295970      44.49903 9.232670 41.02620 10.15258 3.472836       13.72287 
1 1 1 21 26 6  o 51.46680 5.988068 28.34516       6.020423      21.79198       7.785885      34.90542       9.188620      44.91891 8.984086 58.01468 7.919220 -13.09577      11.97614 
1 1 1 21 26 7  o 27.39533 7.015147 5.450119       5.447994      12.10744       7.807138      -1.204368      7.601687      33.57794 10.48892 21.21272 9.318349 12.36522       14.03029 
1 1 1 21 26 8  o 97.38956 4.057069 96.91621       7.856731      91.74451       12.01534      102.0879       10.11669      94.56048 6.353258 100.2186 5.047311 -5.658157      8.114138 
1 1 1 21 26 9  o 36.92937 6.165592 13.70146       5.582600      0.1821430E-01  8.005506      27.38166       7.785885      22.51646 9.724521 51.34228 7.582333 -28.82582      12.33118 
1 1 1 21 26 10 o 64.15354 5.188337 42.88259       6.554596      48.67064       8.756464      37.09454       9.755382      68.79134 6.364511 59.51575 8.195630 9.275585       10.37667 
1 1 1 21 26 11 o 76.88998 4.572276 61.27399       6.893944      70.79559       9.146112      51.75240       10.31506      83.21812 5.495265 70.56184 7.309232 12.65627       9.144551 
1 1 1 21 26 12 o 24.72205 7.312488 2.143775       6.114647      4.262046       8.607689      0.2610645E-01  8.685618      26.19574 10.59067 23.24836 10.08601 2.947374       14.62498 
1 1 1 21 26 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 26 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 26 15 o 24.60656 6.717156 1.135648       5.577641      -8.366816      8.118857      10.64095       7.651280      17.89342 8.469584 31.31970 10.42818 -13.42628      13.43431 
1 1 1 21 26 16 o 48.67948 6.189854 26.40400       5.805054      19.29114       8.055097      33.50977       8.359732      41.09331 9.903031 56.26566 7.428805 -15.17235      12.37971 
1 1 1 21 26 17 o 59.99402 5.324812 39.80082       5.885818      53.83525       8.423491      25.77348       8.225125      71.95984 5.852911 48.02820 8.897075 23.93164       10.64962 
1 1 1 21 26 18 o 37.92248 6.730184 17.59794       5.581892      28.22472       9.181536      6.964789       6.349853      49.65223 9.588024 26.19273 9.447291 23.45949       13.46037 
1 1 1 21 26 19 o 51.99648 5.924684 30.27214       5.892194      28.55061       9.450747      31.99368       7.042011      49.17085 9.957796 54.82211 6.422601 -5.651264      11.84937 
1 1 1 21 26 20 o 115.4845 3.517797 138.1481       8.097604      135.7394       12.69546      140.4860       10.06001      113.9895 5.568697 116.9795 4.299906 -2.990013      7.035594 
1 1 1 21 26 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 26 22 o 20.48456 6.800162 -4.331474      7.587519      -8.111773      13.48892      -0.5507504     6.955580      21.90667 10.53363 19.06246 8.602989 2.844213       13.60032 
1 1 1 21 26 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 26 24 o 65.08028 5.373503 48.89026       7.020757      54.30991       10.64803      43.47768       9.153197      68.50063 7.772214 61.65994 7.422320 6.840683       10.74701 
1 1 1 21 26 25 o 30.06553 7.144961 12.73088       5.426741      19.90041       8.565183      5.568431       6.665114      37.19305 10.84910 22.93800 9.300475 14.25505       14.28992 
1 1 1 21 26 26 o 19.62647 6.251840 0.7941744      5.321181      -0.9344478     8.473083      2.523505       6.444786      19.45642 9.039534 19.79653 8.638800 -0.3401127     12.50368 
1 1 1 21 26 27 o 20.76545 6.411328 3.904278       5.088809      3.692451       7.828392      4.116105       6.500045      20.97382 9.309475 20.55708 8.817835 0.4167385      12.82266 
1 1 1 21 27 0  o 23.88937 12.48321 8.834394       7.729208      8.834394       7.729208      8.834394       7.729208      23.88937 12.48321 23.88937 12.48321 0.000000       0.000000 
1 1 1 21 27 1  o 25.43571 7.087518 3.701661       5.518839      -0.2979040     7.835476      7.700871       7.771716      22.10079 9.583796 28.77062 10.44426 -6.669827      14.17504 
1 1 1 21 27 2  o 91.02374 3.736998 84.44745       6.791928      88.20225       9.479085      80.62181       9.734127      93.12782 5.089287 88.91967 5.473552 4.208153       7.473996 
1 1 1 21 27 3  o 48.00737 6.334534 25.25630       5.838351      16.86824       8.260548      33.65146       8.253463      38.98909 10.39887 57.02564 7.236625 -18.03655      12.66907 
1 1 1 21 27 4  f 28.44030 7.366361 7.382068       5.506087      8.636027       7.828392      6.125274       7.750463      29.70906 10.51202 27.17154 10.32233 2.537521       14.73272 
1 1 1 21 27 5  o 103.6150 3.432067 109.2433       7.112856      115.9027       10.22296      102.5130       9.882903      106.8171 4.785262 100.4128 4.921137 6.404350       6.864133 
1 1 1 21 27 6  o 65.24464 4.698570 43.92401       6.123149      41.83408       8.699788      46.00686       8.621859      63.63660 6.835523 66.85268 6.448401 -3.216084      9.397141 
1 1 1 21 27 7  o 139.7006 3.409962 198.5082       9.557014      191.2111       12.04368      205.8761       14.84206      137.3213 4.385221 142.0799 5.223141 -4.758636      6.819924 
1 1 1 21 27 8  o 30.68146 8.201893 8.111773       7.073183      6.519173       11.23604      9.698705       8.593520      30.27568 12.15782 31.08723 11.01234 -0.8115520     16.40379 
1 1 1 21 27 9  o 52.72209 6.652544 30.25089       6.877649      33.67979       10.15920      26.81490       9.273635      56.21666 9.035755 49.22752 9.766293 6.989136       13.30509 
1 1 1 21 27 10 o 78.00993 6.095922 64.91544       9.521592      66.43153       14.99793      63.39935       11.73196      78.35530 9.570459 77.66456 7.552970 0.6907425      12.19184 
1 1 1 21 27 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 27 12 o 40.50403 7.141453 18.84482       5.897861      24.36366       8.423491      13.31889       8.253463      46.69916 9.348995 34.30889 10.79804 12.39027       14.28291 
1 1 1 21 27 13 o 35.65580 7.290996 14.42408       5.587560      10.88890       7.693786      17.95217       8.104689      31.60567 10.45711 39.70592 10.16284 -8.100248      14.58199 
1 1 1 21 27 14 o 41.53831 6.417360 19.90041       5.614480      8.416408       7.651280      31.37733       8.218040      28.74314 10.37002 54.33350 7.562592 -25.59036      12.83472 
1 1 1 21 27 15 o 32.14043 6.968453 11.23604       5.308429      17.28622       7.474166      5.177365       7.537927      38.81668 9.655478 25.46419 10.05033 13.35248       13.93691 
1 1 1 21 27 16 o 35.88144 7.026774 14.96959       5.382108      19.39032       7.587519      10.54885       7.637110      41.06523 9.431669 30.69765 10.41853 10.36758       14.05355 
1 1 1 21 27 17 o 71.36045 4.411582 54.46577       6.247837      43.93818       8.487252      65.00045       9.174451      64.14635 6.615538 78.57455 5.838055 -14.42821      8.823164 
1 1 1 21 27 18 o 51.90678 6.218463 30.71847       6.254212      23.13095       8.338477      38.30599       9.323226      44.52394 9.636343 59.28962 7.862444 -14.76568      12.43693 
1 1 1 21 27 19 o 44.14634 9.719004 30.70430       13.04260      14.88457       22.01160      46.53112       13.98484      31.87032 14.71569 56.42236 12.69978 -24.55204      19.43801 
1 1 1 21 27 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 27 21 o 52.29654 7.774300 36.13813       8.168448      49.14530       12.46875      23.12387       10.55593      63.67968 9.790212 40.91339 12.07935 22.76629       15.54860 
1 1 1 21 27 22 f 73.29185 4.590677 59.63039       6.724624      60.32467       10.30089      58.92902       8.650196      73.07091 7.048557 73.51281 5.883462 -0.4419022     9.181355 
1 1 1 21 27 23 o 20.47412 6.430801 1.105185       5.302053      3.494792       8.012589      -1.284423      6.948495      22.47117 9.717190 18.47707 8.425974 3.994101       12.86160 
1 1 1 21 27 24 o 49.44422 5.998486 31.07978       5.814264      40.06295       9.082352      22.10369       7.261631      57.61578 7.881827 41.27266 9.044562 16.34312       11.99697 
1 1 1 21 27 25 o 17.37827 5.744023 -2.223121      4.902486      4.611313       8.062181      -9.054014      5.580475      22.13292 9.660235 12.62362 6.217319 9.509295       11.48805 
1 1 1 21 27 26 o 31.43193 7.352023 16.40774       5.557096      19.47534       9.337394      13.34015       6.027507      32.70718 11.48986 30.15669 9.175630 2.550484       14.70405 
1 1 1 21 28 0  o 54.13306 7.687515 30.91683       8.083434      30.91683       8.083434      30.91683       8.083434      54.13306 7.687515 54.13306 7.687515 0.000000       0.000000 
1 1 1 21 28 1  f 35.39184 7.429890 13.90691       5.659113      15.70638       8.154280      12.11453       7.849646      37.45732 10.47807 33.32636 10.53675 4.130966       14.85978 
1 1 1 21 28 2  o 28.90746 7.357233 8.026759       5.460038      9.401155       7.679617      6.652362       7.764632      30.27129 10.44043 27.54364 10.36885 2.727654       14.71447 
1 1 1 21 28 3  o 49.68620 6.560365 26.89283       6.289635      22.84757       9.542846      30.93809       8.196787      44.96345 10.74309 54.40895 7.532572 -9.445507      13.12073 
1 1 1 21 28 4  o 29.70588 8.011229 7.785885       6.620482      8.203872       9.372816      7.367898       9.358648      30.07810 11.37337 29.33365 11.28564 0.7444553      16.02246 
1 1 1 21 28 5  o 67.02034 5.977234 48.26682       7.757547      59.80042       10.65512      36.73323       11.27147      75.73345 7.034616 58.30724 9.665583 17.42622       11.95447 
1 1 1 21 28 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 28 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 28 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 28 9  o 43.28315 7.056653 21.26064       5.992085      20.34674       8.133026      22.16746       8.806056      42.42738 9.778642 44.13892 10.17662 -1.711536      14.11331 
1 1 1 21 28 10 o 54.49205 5.727372 32.44001       5.957372      41.09020       8.699788      23.78981       8.140111      62.66764 6.941213 46.31646 9.112120 16.35118       11.45474 
1 1 1 21 28 11 o 72.08267 4.381652 54.08321       6.317265      53.16222       8.820225      55.00420       9.046929      71.48116 6.169616 72.68420 6.223451 -1.203041      8.763305 
1 1 1 21 28 12 o 21.66929 6.678456 0.8713957E-01  5.439492      -0.3352394     7.870899      0.5095185      7.509589      21.61517 9.488607 21.72341 9.400715 -0.1082363     13.35691 
1 1 1 21 28 13 o 21.68024 6.719727 -0.2016254     5.564889      -0.4710496     7.870899      0.6785551E-01  7.870899      21.50737 9.464634 21.85311 9.541469 -0.3457451     13.43945 
1 1 1 21 28 14 o 34.87714 7.249158 14.34615       5.591102      9.330310       7.587519      19.36907       8.218040      29.24507 10.34892 40.50920 10.15387 -11.26413      14.49832 
1 1 1 21 28 15 o 30.48769 7.508538 10.63386       5.656280      12.08619       7.800055      9.181536       8.196787      31.94603 10.52908 29.02934 10.70752 2.916685       15.01708 
1 1 1 21 28 16 o 31.06870 8.062870 10.83223       6.619065      8.239295       8.395153      13.43225       10.23713      28.42366 10.75914 33.71374 12.01168 -5.290083      16.12574 
1 1 1 21 28 17 o 68.10136 6.174437 54.72081       8.430575      51.93660       10.93141      57.50503       12.83006      67.02853 8.154298 69.17421 9.273732 -2.145683      12.34887 
1 1 1 21 28 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 28 19 o 26.34013 7.548238 6.577267       6.457538      -0.3841226     7.757547      13.53851       10.32923      20.48696 9.171965 32.19331 11.99077 -11.70635      15.09648 
1 1 1 21 28 20 o 24.12817 7.770068 1.484915       8.310139      -0.2767921     12.11453      3.246126       11.38482      23.57157 10.89654 24.68477 11.07977 -1.113199      15.54014 
1 1 1 21 28 21 o 26.99386 6.733453 7.821308       5.505378      20.24047       9.131943      -4.599977      6.154321      38.18255 11.22305 15.80517 7.443170 22.37738       13.46691 
1 1 1 21 28 22 o 18.20713 5.896776 -2.046717      5.042051      -4.761505      7.955913      0.6684242      6.198245      17.72079 8.386121 18.69348 8.292215 -0.9726925     11.79355 
1 1 1 21 28 23 o 40.27911 6.344087 21.67862       5.330391      13.86440       8.267632      29.49993       6.727458      30.17056 10.79003 50.38766 6.675700 -20.21710      12.68817 
1 1 1 21 28 24 o 23.48286 6.709328 7.431659       4.982541      12.04368       8.118857      2.811136       5.778132      27.72389 10.55525 19.24183 8.285351 8.482065       13.41866 
1 1 1 21 28 25 o 26.40300 6.650152 10.36465       4.951370      5.953829       7.630026      14.77122       6.310180      21.70687 9.435788 31.09912 9.373580 -9.392258      13.30030 
1 1 1 21 29 0  o 40.15596 20.33203 28.94025       20.11295      28.94025       20.11295      28.94025       20.11295      40.15596 20.33203 40.15596 20.33203 0.000000       0.000000 
1 1 1 21 29 1  o 39.42849 10.83448 18.33473       13.05677      12.70963       11.05893      23.95984       23.66229      34.37080 12.46060 44.48617 17.72788 -10.11536      21.66897 
1 1 1 21 29 2  o 55.40676 7.563766 35.63512       8.019674      50.02378       10.46383      21.24647       12.14995      68.76439 7.608469 42.04914 13.07492 26.71525       15.12753 
1 1 1 21 29 3  o 62.84868 5.917333 42.25206       7.424574      39.55995       10.47092      44.95126       10.53468      60.71721 8.622694 64.98015 8.106074 -4.262943      11.83467 
1 1 1 21 29 4  f 47.09496 6.915931 24.66829       6.398028      28.01927       8.409323      21.32440       9.642029      51.30016 8.196196 42.88977 11.14194 8.410393       13.83186 
1 1 1 21 29 5  o 21.99407 6.804843 -1.931240      5.970123      -8.076350      7.955913      4.210329       8.905238      17.78065 8.401084 26.20749 10.70726 -8.426840      13.60969 
1 1 1 21 29 6  o 50.26321 6.242243 27.58711       6.108980      29.99585       8.536844      25.18546       8.742295      53.10292 8.038018 47.42350 9.552626 5.679417       12.48449 
1 1 1 21 29 7  o 40.18812 7.528258 18.38432       6.570182      11.60444       10.06001      25.17129       8.451830      32.93495 11.88998 47.44129 9.237263 -14.50634      15.05652 
1 1 1 21 29 8  o 82.50031 4.201532 70.83810       6.919449      74.59997       9.698705      67.08330       9.875818      84.80797 5.718039 80.19264 6.157558 4.615326       8.403065 
1 1 1 21 29 9  o 27.36208 7.660501 6.267673       6.234376      4.955620       8.005506      7.580434       9.557014      25.69034 10.28477 29.03383 11.35591 -3.343493      15.32100 
1 1 1 21 29 10 o 62.81361 4.960141 41.99702       6.156446      48.88317       8.678535      35.11795       8.735210      68.30383 6.352890 57.32339 7.619238 10.98045       9.920282 
1 1 1 21 29 11 o 29.81385 7.487068 9.337394       5.781674      13.07802       8.097604      5.596769       8.253463      33.43541 10.71524 26.19229 10.45984 7.243116       14.97414 
1 1 1 21 29 12 o 24.31773 7.114910 -1.230581      6.657322      10.35756       8.933578      -12.82298      9.875818      30.45824 11.18392 18.17722 8.798169 12.28102       14.22982 
1 1 1 21 29 13 o 31.50291 8.379786 10.56302       7.417490      14.42408       9.911241      6.701954       11.04476      34.38828 11.86072 28.61755 11.84089 5.770721       16.75957 
1 1 1 21 29 14 o 28.78699 8.091661 7.275800       7.254546      0.3438825      9.032760      14.21154       11.34940      23.04288 10.13977 34.53110 12.61290 -11.48822      16.18332 
1 1 1 21 29 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 29 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 29 17 o 48.72060 6.853102 29.07486       6.440535      27.89883       9.061099      30.25089       9.160281      47.55228 9.858660 49.88891 9.521914 -2.336628      13.70620 
1 1 1 21 29 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 29 19 f 32.76575 7.025510 13.82898       5.429574      7.268716       7.615856      20.39633       7.743378      25.60599 10.10346 39.92551 9.764800 -14.31951      14.05102 
1 1 1 21 29 20 o 23.20187 6.757984 5.069681       5.188701      1.493416       7.063264      8.643111       7.601687      20.21237 8.923370 26.19138 10.15159 -5.979015      13.51597 
1 1 1 21 29 21 o 20.09658 6.054841 2.383232       4.424990      -0.4287550     6.497920      5.195786       6.008380      18.13163 8.236113 22.06153 8.877546 -3.929907      12.10968 
1 1 1 21 29 22 o 27.08576 6.988027 10.87473       5.325432      19.08569       8.699788      2.667321       6.140860      34.61661 11.10780 19.55491 8.482148 15.06170       13.97605 
1 1 1 21 29 23 o 16.99804 5.751036 -2.968413      5.479167      -1.281589      9.139028      -4.654528      6.049470      19.18150 9.044021 14.81458 7.106570 4.366921       11.50207 
1 1 1 21 30 0  o 25.59494 13.66047 10.75430       9.408240      10.75430       9.408240      10.75430       9.408240      25.59494 13.66047 25.59494 13.66047 0.000000       0.000000 
1 1 1 21 30 1  o 35.43013 7.881067 14.64370       6.390234      19.55327       9.649114      9.741212       8.388069      40.52819 11.41791 30.33208 10.86629 10.19611       15.76213 
1 1 1 21 30 2  o 27.97861 7.919856 6.220915       6.738085      7.438744       9.464915      5.004504       9.599521      28.85906 11.29829 27.09816 11.10158 1.760900       15.83971 
1 1 1 21 30 3  o 33.66887 8.004137 12.81589       6.460372      16.10311       9.337394      9.535762       8.933578      36.95581 11.45626 30.38193 11.18119 6.573885       16.00827 
1 1 1 21 30 4  o 35.77510 8.228834 14.82081       6.846478      17.37832       9.408240      12.26330       9.953747      38.29400 11.42619 33.25620 11.84470 5.037800       16.45767 
1 1 1 21 30 5  o 34.98758 8.005807 14.31073       6.415030      12.17120       8.366816      16.45025       9.727042      32.75644 10.90489 37.21871 11.72412 -4.462273      16.01161 
1 1 1 21 30 6  o 55.97775 7.006259 36.23731       7.580434      46.77198       11.27147      25.70263       10.14503      65.44566 8.611319 46.50983 11.05422 18.93582       14.01252 
1 1 1 21 30 7  o 18.27489 6.159510 -9.054014      6.232958      -9.606606      8.388069      -8.501422      9.216957      17.51694 8.394503 19.03284 9.016128 -1.515907      12.31902 
1 1 1 21 30 8  o 25.75335 7.710027 3.833432       6.879775      2.078598       8.806056      5.587560       10.57010      23.84811 10.24763 27.65858 11.52233 -3.810465      15.42005 
1 1 1 21 30 9  o 35.39742 8.512192 15.56469       7.254546      15.30964       9.379901      15.82681       11.07310      35.22646 11.54625 35.56838 12.51054 -0.3419189     17.02438 
1 1 1 21 30 10 o 21.48434 6.998103 -6.854271      7.212039      -18.24972      8.954830      4.542593       11.29981      15.49930 7.682539 27.46938 11.69925 -11.97008      13.99621 
1 1 1 21 30 11 o 25.30408 7.709276 1.158319       7.410406      5.790176       9.472000      -3.473539      11.41316      27.08352 11.05021 23.52464 10.75289 3.558887       15.41855 
1 1 1 21 30 12 o 30.42807 8.447276 11.50526       8.097604      -0.1152651     9.712874      23.11678       12.96467      22.27743 10.10395 38.57870 13.54017 -16.30127      16.89455 
1 1 1 21 30 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 30 14 o 52.75550 7.932337 43.33599       8.628942      24.88083       11.63986      61.79825       12.73088      37.11209 12.84834 68.39891 9.306346 -31.28682      15.86467 
1 1 1 21 30 15 o 57.96062 5.947527 38.79482       6.886859      39.74414       9.549930      37.83841       9.925409      58.95509 8.099326 56.96614 8.711674 1.988945       11.89505 
1 1 1 21 30 16 o 21.45273 7.087780 -1.594725      7.459997      -5.411155      8.281801      2.221705       12.41208      18.09958 8.561024 24.80589 11.29847 -6.706310      14.17556 
1 1 1 21 30 17 o 15.84304 5.432018 -9.046929      5.284342      -11.59735      7.233293      -6.497211      7.707955      14.60761 7.182189 17.07846 8.151286 -2.470845      10.86404 
1 1 1 21 30 18 o 39.72291 6.723251 21.04810       5.410447      14.42408       7.268716      27.66504       8.019674      32.45058 10.11758 46.99524 8.856809 -14.54465      13.44650 
1 1 1 21 30 19 o 37.29256 6.996216 19.24864       5.409029      14.99084       7.537927      23.50643       7.757547      32.40635 10.33357 42.17877 9.434278 -9.772419      13.99243 
1 1 1 21 30 20 o 21.43290 6.487583 4.263463       4.961287      4.466080       6.831601      4.060137       7.197870      21.48005 9.120961 21.38576 9.228379 0.9429169E-01  12.97517 
1 1 1 21 30 21 o 20.58263 6.341400 3.284383       5.014421      5.733500       6.846478      0.8345562      7.332476      22.10445 9.245013 19.06080 8.682347 3.043646       12.68280 
1 1 1 21 31 0  o 17.58642 11.30630 2.211078       8.784801      2.211078       8.784801      2.211078       8.784801      17.58642 11.30630 17.58642 11.30630 0.000000       0.000000 
1 1 1 21 31 1  o 35.00838 7.620794 14.62953       6.254921      8.033843       8.777717      21.22522       8.912323      28.24314 10.91651 41.77362 10.63653 -13.53048      15.24159 
1 1 1 21 31 2  o 29.40263 7.598189 8.600604       6.246420      2.368354       8.855647      14.82790       8.813140      23.99145 10.29171 34.81381 11.18082 -10.82236      15.19638 
1 1 1 21 31 3  o 27.93561 7.086243 5.589684       6.070015      -5.784509      8.274716      16.96033       8.883986      18.78469 8.798176 37.08653 11.11087 -18.30184      14.17249 
1 1 1 21 31 4  o 25.11933 7.896817 1.059135       7.955913      -1.879523      9.429493      3.997793       12.81589      22.10024 9.993048 28.13842 12.23020 -6.038176      15.79363 
1 1 1 21 31 5  o 35.36055 8.724011 15.13961       7.849646      21.55819       11.59027      8.721042       10.59844      40.86185 12.78319 29.85925 11.87534 11.00261       17.44802 
1 1 1 21 31 6  o 24.57080 8.337201 -8.494337      11.05185      1.010252       19.16362      -18.00176      11.01642      31.01150 14.10194 18.13009 8.897810 12.88141       16.67440 
1 1 1 21 31 7  o 26.30539 7.967551 -0.9436577     8.324308      11.04476       11.49109      -12.92925      12.04368      31.97663 12.46327 20.63415 9.929465 11.34248       15.93510 
1 1 1 21 31 8  o 31.52537 9.207416 10.22296       10.10252      15.30964       12.06493      5.139110       16.20938      33.78272 12.86567 29.26801 13.17499 4.514711       18.41483 
1 1 1 21 31 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 31 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 31 11 o 23.94047 7.744239 0.7226208      9.358648      6.772799       9.804973      -5.327558      15.94017      24.85027 10.74765 23.03067 11.15262 1.819597       15.48848 
1 1 1 21 31 12 o 50.38557 7.347208 31.93701       7.197870      28.57895       9.089437      35.29507       11.16520      48.27513 9.755584 52.49601 10.98883 -4.220879      14.69442 
1 1 1 21 31 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 31 14 o 34.28007 7.300841 15.50801       5.902820      8.359732       8.380984      22.64920       8.317224      26.76240 10.58646 41.79774 10.05664 -15.03535      14.60168 
1 1 1 21 31 15 o 30.61701 7.083332 12.03660       5.404070      18.10803       7.736294      5.972957       7.545012      36.96209 10.15677 24.27193 9.875946 12.69016       14.16666 
1 1 1 21 31 16 o 32.03658 7.355806 14.40991       5.404070      13.05677       7.509589      15.75597       7.778800      30.61735 10.33118 33.45581 10.47369 -2.838455      14.71161 
1 1 1 21 31 17 o 26.75352 7.001089 8.359732       5.622273      14.57285       7.311223      2.139524       8.543928      32.02655 10.17339 21.48050 9.620974 10.54606       14.00218 
1 1 1 21 31 18 o 33.40113 6.699184 15.27422       5.838351      4.274089       8.721042      26.27648       7.764632      22.34322 9.883119 44.45905 9.046561 -22.11582      13.39837 
1 1 1 21 31 19 o 22.14142 6.630455 5.256712       5.189409      1.732873       7.127024      8.777717       7.545012      19.45988 8.749319 24.82296 9.964994 -5.363073      13.26091 
1 1 1 21 31 20 o 17.78109 5.785711 0.2354894E-01  4.804011      -2.756586      6.709038      2.803344       6.876941      16.19602 7.681745 19.36616 8.653822 -3.170141      11.57142 
1 1 1 21 32 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 32 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 32 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 32 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 32 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 32 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 32 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 32 7  o 48.14738 7.477122 30.39967       7.013672      32.58878       9.804973      28.21763       10.03168      50.53949 10.05723 45.75527 11.06714 4.784222       14.95424 
1 1 1 21 32 8  o 29.48779 7.765126 10.27255       6.301678      6.298845       8.820225      14.24696       9.004422      25.96455 10.64001 33.01103 11.31278 -7.046480      15.53025 
1 1 1 21 32 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 32 10 o 23.18295 7.950196 -11.48400      11.76738      -18.60394      18.15053      -4.368313      14.98375      22.45650 11.08386 23.90941 11.40046 -1.452904      15.90039 
1 1 1 21 32 11 o 24.57040 7.264984 4.954912       6.137318      2.088516       9.188620      7.821308       8.140111      22.86639 10.12571 26.27441 10.42065 -3.408012      14.52997 
1 1 1 21 32 12 o 23.49194 7.113039 4.155778       5.972248      3.751252       8.713958      4.561012       8.168448      23.39973 10.12634 23.58416 9.991926 -0.1844311     14.22608 
1 1 1 21 32 13 o 25.63034 7.374334 6.614106       6.359772      -0.8203872     8.593520      14.04860       9.379901      20.29477 9.299045 30.96591 11.44775 -10.67114      14.74867 
1 1 1 21 32 14 o 21.43263 6.787830 1.916362       6.023965      1.286548       7.835476      2.546884       9.146112      20.58350 9.216484 22.28177 9.967696 -1.698269      13.57566 
1 1 1 21 32 15 o 27.95750 7.174048 9.797889       5.983583      17.27914       7.863815      2.310970       9.018591      34.24791 10.49265 21.66708 9.786326 12.58084       14.34810 
1 1 1 21 32 16 o 25.51585 7.376030 9.316141       6.002712      6.096227       7.658363      12.53251       9.245295      22.99560 9.705335 28.03610 11.10990 -5.040497      14.75206 
1 1 1 21 32 17 o 22.94423 6.420989 2.344975       5.598186      13.87149       7.261631      -9.181536      8.522675      29.85498 10.15919 16.03347 7.855395 13.82151       12.84198 
1 1 1 21 32 18 o 20.30726 6.457599 3.630107       5.525216      -0.9613690     6.995961      8.225125       8.558097      17.27342 8.090255 23.34109 10.06728 -6.067669      12.91520 
1 1 1 21 33 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 33 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 33 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 33 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 33 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 21 33 5  o 38.34731 7.670018 19.97834       7.098687      9.613690       10.67637      30.34299       9.365732      28.14417 11.64318 48.55044 9.987649 -20.40627      15.34004 
1 1 1 21 33 6  o 40.69434 7.495348 22.23830       6.699829      14.07694       10.15211      30.39967       8.749379      31.72266 11.87319 49.66603 9.151408 -17.94337      14.99070 
1 1 1 21 33 7  o 26.04531 7.738290 6.279008       6.941411      3.037841       9.939578      9.521592       9.691620      23.97461 10.58475 28.11601 11.29104 -4.141401      15.47658 
1 1 1 21 33 8  o 29.50892 7.419237 11.23604       5.756171      16.10311       8.303054      6.368274       7.970083      34.19501 10.83939 24.82283 10.13350 9.372183       14.83847 
1 1 1 21 33 9  o 27.52914 7.378727 9.875818       5.601020      10.90307       7.885069      8.848563       7.955913      28.49516 10.50283 26.56312 10.36691 1.932032       14.75745 
1 1 1 21 33 10 o 28.49088 7.355196 11.08019       5.538676      13.85023       7.941744      8.303054       7.722124      31.19153 10.62429 25.79022 10.17448 5.401306       14.71039 
1 1 1 21 33 11 o 20.88630 6.530066 1.756252       5.468539      5.019381       7.856731      -1.506877      7.608772      22.99812 9.773938 18.77447 8.662402 4.223646       13.06013 
1 1 1 21 33 12 o 32.01656 7.510636 15.35215       5.622273      14.43825       7.984251      16.25897       7.913406      30.99933 10.64992 33.03379 10.59329 -2.034464      15.02127 
1 1 1 21 33 13 o 29.36594 7.611346 13.51017       6.213122      21.16854       9.549930      5.848269       7.948828      35.76542 11.65043 22.96646 9.797854 12.79895       15.22269 
1 1 1 21 33 14 o 28.15117 7.314129 12.17829       5.821349      19.88624       8.891070      4.468914       7.516674      34.75588 11.23694 21.54646 9.365738 13.20942       14.62826 
1 1 1 21 33 15 o 28.99661 7.063046 12.66003       5.841893      4.332891       8.607689      20.98434       7.899237      21.42349 9.624589 36.56973 10.33991 -15.14623      14.12609 
1 1 1 21 34 0  o 19.82422 11.95932 6.716123       8.451830      6.716123       8.451830      6.716123       8.451830      19.82422 11.95932 19.82422 11.95932 0.000000       0.000000 
1 1 1 21 34 1  o 17.44698 5.810602 -7.155363      5.504670      -16.09602      7.594603      1.786715       7.970083      13.66479 6.816942 21.22915 9.411785 -7.564360      11.62120 
1 1 1 21 34 2  o 27.41288 7.353042 9.861650       5.584725      8.040927       7.792970      11.68237       8.005506      25.71274 10.19661 29.11301 10.59708 -3.400276      14.70608 
1 1 1 21 34 3  o 26.27302 7.418519 8.600604       5.916281      9.323226       8.040927      7.870899       8.678535      26.80609 10.43026 25.73994 10.55212 1.066147       14.83704 
1 1 1 21 34 4  o 32.40809 7.652498 15.21046       6.026091      10.21588       8.154280      20.21213       8.869816      27.52850 10.54982 37.28767 11.08802 -9.759167      15.30500 
1 1 1 21 34 5  o 39.06392 8.146870 22.83340       6.794761      22.96801       9.712874      22.70588       9.507423      39.07320 11.59974 39.05464 11.44255 0.1856613E-01  16.29374 
1 1 1 21 34 6  o 22.78312 6.962091 4.303844       5.868815      0.1875272      7.537927      8.423491       8.997337      19.63193 8.902740 25.93430 10.70626 -6.302376      13.92418 
1 1 1 21 34 7  o 30.25724 8.282509 14.35323       7.382068      8.430575       9.975000      20.28297       10.88182      25.88154 11.00658 34.63295 12.37962 -8.751404      16.56502 
1 1 1 21 34 8  o 57.45856 6.542440 43.78941       7.275800      53.80691       10.89599      33.76481       9.634944      65.54238 8.312170 49.37475 10.10554 16.16763       13.08488 
1 1 1 21 34 9  o 31.68106 8.010762 16.59194       6.479500      19.31240       10.10961      13.87149       8.111773      33.45599 11.93495 29.90613 10.68860 3.549860       16.02152 
1 1 1 21 34 10 o 25.18524 7.009288 6.512089       6.113939      -1.939741      9.316141      14.96250       7.920490      19.46572 9.164311 30.90475 10.60829 -11.43902      14.01858 
1 1 1 21 34 11 o 22.44357 6.973876 5.445160       6.106146      10.12378       9.542846      0.7672533      7.615856      25.65396 10.83088 19.23317 8.788168 6.420799       13.94775 
1 1 1 21 34 12 o 15.48763 5.398018 -9.386987      5.903528      -8.614774      9.167366      -10.15920      7.438744      16.56176 8.124477 14.41351 7.109660 2.148251       10.79604 
1 1 1 21 35 0  f 36.78813 12.60540 20.94892       8.317224      20.94892       8.317224      20.94892       8.317224      36.78813 12.60540 36.78813 12.60540 0.000000       0.000000 
1 1 1 21 35 1  o 21.07888 6.611353 3.050593       5.563472      4.548261       7.892153      1.553635       7.842561      22.02198 9.585007 20.13579 9.108656 1.886198       13.22271 
1 1 1 21 35 2  o 28.84053 6.766244 10.81806       5.628649      22.30915       8.225125      -0.6765715     7.686701      38.88932 10.37850 18.79173 8.684179 20.09759       13.53249 
1 1 1 21 35 3  o 23.25455 6.775116 5.533009       5.479875      12.11453       7.962997      -1.048509      7.530843      28.07692 10.51410 18.43219 8.547663 9.644728       13.55023 
1 1 1 21 35 4  o 25.26141 7.366281 9.188620       6.056554      12.67420       9.365732      5.695952       7.679617      27.93233 11.14625 22.59049 9.633764 5.341848       14.73256 
1 1 1 21 35 5  o 17.91215 5.919628 -2.088516      5.320473      -4.875566      7.495420      0.6986752      7.559181      16.56577 7.937859 19.25853 8.783983 -2.692764      11.83926 
1 1 1 21 35 6  o 29.41405 7.031054 12.98592       5.551428      4.864938       7.644195      21.11186       8.048012      21.72249 9.443593 37.10561 10.41928 -15.38313      14.06211 
1 1 1 21 35 7  o 17.94110 5.934979 -1.195867      5.314096      -1.451618      7.630026      -0.9394071     7.396237      17.91619 8.401602 17.96602 8.385045 -0.4983330E-01 11.86996 
1 1 1 21 35 8  o 15.92906 5.440915 -6.090560      5.268047      -0.6654487     7.573349      -11.51943      7.325392      18.01540 8.434132 13.84271 6.876020 4.172682       10.88183 
1 1 1 22 0  0  o 325.1246 5.647458 1058.427       36.69780      1058.427       36.69780      1058.427       36.69780      325.1246 5.647458 325.1246 5.647458 0.000000       0.000000 
1 1 1 22 0  1  o 279.1689 3.648095 780.0054       20.36090      780.0054       20.36090      780.0054       20.36090      279.1689 3.648095 279.1689 3.648095 0.000000       0.000000 
1 1 1 22 0  2  o 257.3718 3.497299 662.9692       17.99467      662.9692       17.99467      662.9692       17.99467      257.3718 3.497299 257.3718 3.497299 0.000000       0.000000 
1 1 1 22 0  3  o 58.65872 4.713500 35.08961       5.460038      35.08961       5.460038      35.08961       5.460038      58.65872 4.713500 58.65872 4.713500 0.000000       0.000000 
1 1 1 22 0  4  o 204.2928 3.199090 417.7740       13.06385      417.7740       13.06385      417.7740       13.06385      204.2928 3.199090 204.2928 3.199090 0.000000       0.000000 
1 1 1 22 0  5  o 28.35017 9.720203 10.45675       4.943576      10.45675       4.943576      10.45675       4.943576      28.35017 9.720203 28.35017 9.720203 0.000000       0.000000 
1 1 1 22 0  6  o 274.0407 3.599999 751.6674       19.72330      751.6674       19.72330      751.6674       19.72330      274.0407 3.599999 274.0407 3.599999 0.000000       0.000000 
1 1 1 22 0  7  o 175.6617 3.077307 308.9558       10.80389      308.9558       10.80389      308.9558       10.80389      175.6617 3.077307 175.6617 3.077307 0.000000       0.000000 
1 1 1 22 0  8  o 33.37936 8.309547 13.03551       4.794801      13.03551       4.794801      13.03551       4.794801      33.37936 8.309547 33.37936 8.309547 0.000000       0.000000 
1 1 1 22 0  9  o 286.8816 3.679665 823.9294       21.10478      823.9294       21.10478      823.9294       21.10478      286.8816 3.679665 286.8816 3.679665 0.000000       0.000000 
1 1 1 22 0  10 o 29.48172 9.388250 10.99517       4.859271      10.99517       4.859271      10.99517       4.859271      29.48172 9.388250 29.48172 9.388250 0.000000       0.000000 
1 1 1 22 0  11 o 178.1506 3.070064 317.8115       10.93141      317.8115       10.93141      317.8115       10.93141      178.1506 3.070064 178.1506 3.070064 0.000000       0.000000 
1 1 1 22 0  12 o 70.03169 3.939038 49.54911       5.480583      49.54911       5.480583      49.54911       5.480583      70.03169 3.939038 70.03169 3.939038 0.000000       0.000000 
1 1 1 22 0  13 o 311.7880 3.860698 973.4128       24.06610      973.4128       24.06610      973.4128       24.06610      311.7880 3.860698 311.7880 3.860698 0.000000       0.000000 
1 1 1 22 0  14 o 135.4190 3.061323 183.7724       8.281801      183.7724       8.281801      183.7724       8.281801      135.4190 3.061323 135.4190 3.061323 0.000000       0.000000 
1 1 1 22 0  15 o 105.2418 3.793959 111.2978       7.962997      111.2978       7.962997      111.2978       7.962997      105.2418 3.793959 105.2418 3.793959 0.000000       0.000000 
1 1 1 22 0  16 o 124.9078 3.115279 156.4261       7.771716      156.4261       7.771716      156.4261       7.771716      124.9078 3.115279 124.9078 3.115279 0.000000       0.000000 
1 1 1 22 0  17 o 172.2164 3.627781 297.3372       12.48292      297.3372       12.48292      297.3372       12.48292      172.2164 3.627781 172.2164 3.627781 0.000000       0.000000 
1 1 1 22 0  18 o 308.7045 3.899314 954.9930       24.06610      954.9930       24.06610      954.9930       24.06610      308.7045 3.899314 308.7045 3.899314 0.000000       0.000000 
1 1 1 22 0  19 o 25.06515 10.88570 9.082352       5.602437      9.082352       5.602437      9.082352       5.602437      25.06515 10.88570 25.06515 10.88570 0.000000       0.000000 
1 1 1 22 0  20 o 17.87492 10.41586 4.051636       6.045219      4.051636       6.045219      4.051636       6.045219      17.87492 10.41586 17.87492 10.41586 0.000000       0.000000 
1 1 1 22 0  21 o 155.1128 3.756957 241.5112       11.63986      241.5112       11.63986      241.5112       11.63986      155.1128 3.756957 155.1128 3.756957 0.000000       0.000000 
1 1 1 22 0  22 o 95.89157 4.251331 92.73634       8.118857      92.73634       8.118857      92.73634       8.118857      95.89157 4.251331 95.89157 4.251331 0.000000       0.000000 
1 1 1 22 0  23 o 92.77986 4.373211 86.92703       8.076350      86.92703       8.076350      86.92703       8.076350      92.77986 4.373211 92.77986 4.373211 0.000000       0.000000 
1 1 1 22 0  24 o 107.6740 4.062339 116.7529       8.721042      116.7529       8.721042      116.7529       8.721042      107.6740 4.062339 107.6740 4.062339 0.000000       0.000000 
1 1 1 22 0  25 o 156.8070 3.836348 247.0371       12.01534      247.0371       12.01534      247.0371       12.01534      156.8070 3.836348 156.8070 3.836348 0.000000       0.000000 
1 1 1 22 0  26 o 96.20553 4.602876 93.58647       8.813140      93.58647       8.813140      93.58647       8.813140      96.20553 4.602876 96.20553 4.602876 0.000000       0.000000 
1 1 1 22 0  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 0  28 o 60.22952 5.274913 37.37083       6.261296      37.37083       6.261296      37.37083       6.261296      60.22952 5.274913 60.22952 5.274913 0.000000       0.000000 
1 1 1 22 0  29 o 38.94028 8.350645 17.34290       5.706579      17.34290       5.706579      17.34290       5.706579      38.94028 8.350645 38.94028 8.350645 0.000000       0.000000 
1 1 1 22 0  30 o 55.02527 5.343698 31.42692       5.778841      31.42692       5.778841      31.42692       5.778841      55.02527 5.343698 55.02527 5.343698 0.000000       0.000000 
1 1 1 22 0  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 0  32 o 9.549319 6.799211 -5.732792      5.158946      -5.732792      5.158946      -5.732792      5.158946      9.549319 6.799211 9.549319 6.799211 0.000000       0.000000 
1 1 1 22 0  33 o 62.73064 4.951187 40.62971       6.135900      40.62971       6.135900      40.62971       6.135900      62.73064 4.951187 62.73064 4.951187 0.000000       0.000000 
1 1 1 22 0  34 o 22.38787 10.66186 7.955913       5.412572      7.955913       5.412572      7.955913       5.412572      22.38787 10.66186 22.38787 10.66186 0.000000       0.000000 
1 1 1 22 0  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 0  36 o 29.07892 10.12610 11.82406       5.311971      11.82406       5.311971      11.82406       5.311971      29.07892 10.12610 29.07892 10.12610 0.000000       0.000000 
1 1 1 22 0  37 f 97.24608 3.723660 96.70367       7.219123      96.70367       7.219123      96.70367       7.219123      97.24608 3.723660 97.24608 3.723660 0.000000       0.000000 
1 1 1 22 0  38 o 66.93961 4.445878 46.91368       5.898569      46.91368       5.898569      46.91368       5.898569      66.93961 4.445878 66.93961 4.445878 0.000000       0.000000 
1 1 1 22 0  39 o 58.50784 5.032838 36.84658       5.805762      36.84658       5.805762      36.84658       5.805762      58.50784 5.032838 58.50784 5.032838 0.000000       0.000000 
1 1 1 22 1  0  f 606.3033 6.510105 3681.115       78.92152      3681.115       78.92152      3681.115       78.92152      606.3033 6.510105 606.3033 6.510105 0.000000       0.000000 
1 1 1 22 1  1  o 245.7129 2.425121 604.0968       11.91616      604.2385       16.90366      603.9551       16.80448      245.7413 3.439319 245.6845 3.419930 0.5683899E-01  4.850241 
1 1 1 22 1  2  o 195.5074 2.242029 382.4223       8.770633      383.0599       12.44750      381.7846       12.34832      195.6701 3.180737 195.3447 3.160647 0.3253479      4.484058 
1 1 1 22 1  3  o 308.9131 2.719110 954.9930       16.79739      959.2438       23.82524      950.7424       23.69063      309.6005 3.847738 308.2258 3.843064 1.374725       5.438220 
1 1 1 22 1  4  o 198.7505 2.248094 395.3161       8.940661      381.3596       12.34123      409.3434       12.93633      195.2330 3.160641 202.2680 3.197820 -7.034958      4.496188 
1 1 1 22 1  5  o 180.4198 2.205285 325.7461       7.955913      330.9178       11.35648      320.5036       11.15103      181.8619 3.122281 178.9776 3.115203 2.884323       4.410570 
1 1 1 22 1  6  o 261.6375 2.488582 685.0729       13.02134      696.1956       18.58269      674.0211       18.24972      263.7545 3.522724 259.5205 3.516046 4.234039       4.977164 
1 1 1 22 1  7  o 84.43575 2.843474 71.76617       4.728916      61.45111       7.029967      82.03871       6.326474      78.33520 4.487107 90.53629 3.493889 -12.20110      5.686949 
1 1 1 22 1  8  o 338.0740 2.878356 1144.150       19.46117      1142.733       27.50210      1146.275       27.54460      337.8124 4.070617 338.3356 4.070604 -0.5231628     5.756712 
1 1 1 22 1  9  o 109.6539 2.265071 120.4368       4.964830      128.0172       7.155363      112.9272       6.888276      113.0923 3.163506 106.2155 3.242595 6.876793       4.530143 
1 1 1 22 1  10 o 155.7665 2.314203 242.9281       7.226208      249.2334       11.07310      236.6229       9.280719      157.7761 3.509118 153.7569 3.017983 4.019180       4.628405 
1 1 1 22 1  11 o 140.1359 2.140466 196.6662       6.001295      189.4400       8.345562      203.8216       8.621859      137.5724 3.033153 142.6994 3.020986 -5.126999      4.280931 
1 1 1 22 1  12 o 265.4957 2.487813 705.8305       13.20554      707.7433       18.74563      703.9177       18.61811      265.8547 3.525541 265.1367 3.511040 0.7180176      4.975625 
1 1 1 22 1  13 o 324.8151 2.810006 1057.010       18.25680      1054.885       25.77348      1059.135       25.85849      324.4889 3.971395 325.1413 3.976500 -0.6523743     5.620012 
1 1 1 22 1  14 o 171.5972 2.156709 294.8576       7.403321      290.1110       10.40716      299.5334       10.52759      170.2256 3.056872 172.9688 3.043207 -2.743179      4.313418 
1 1 1 22 1  15 o 153.6062 2.343018 236.6938       7.247461      256.7429       11.34940      216.7154       9.018591      160.0944 3.544596 147.1180 3.065088 12.97638       4.686036 
1 1 1 22 1  16 o 99.47764 2.317041 99.18325       4.608479      95.92437       6.484459      102.3713       6.551054      97.85828 3.313189 101.0970 3.239985 -3.238708      4.634082 
1 1 1 22 1  17 o 33.12391 6.014339 11.32106       4.134524      13.34015       4.884775      9.301972       6.672198      35.75151 7.083449 30.49630 9.721823 5.255213       12.02868 
1 1 1 22 1  18 o 67.25784 3.615307 45.58887       4.749461      49.94585       5.134858      41.23189       7.991336      70.57188 3.638034 63.94380 6.248719 6.628086       7.230614 
1 1 1 22 1  19 o 138.9031 3.450884 194.7534       9.188620      218.8407       8.281801      170.5952       16.40066      147.7972 2.801746 130.0091 6.307504 17.78806       6.901767 
1 1 1 22 1  20 o 133.6448 2.833419 179.3091       7.573349      178.5298       8.735210      180.0884       12.38374      133.4410 3.273061 133.8485 4.626026 -0.4075165     5.666837 
1 1 1 22 1  21 o 120.4288 2.692623 145.6577       6.485168      148.9166       9.216957      142.3988       9.124859      121.7793 3.784288 119.0783 3.831453 2.700989       5.385245 
1 1 1 22 1  22 o 141.2926 2.669766 200.6335       7.545012      211.8979       10.96683      189.3692       10.37173      145.2623 3.774839 137.3230 3.776401 7.939255       5.339533 
1 1 1 22 1  23 o 31.80615 6.081729 10.61261       4.286133      4.407987       5.729958      16.82573       6.375357      23.76105 8.914710 39.85125 8.275123 -16.09020      12.16346 
1 1 1 22 1  24 o 185.2065 2.694062 344.6618       9.975000      344.3784       14.19029      345.0160       14.03443      185.1154 3.832822 185.2976 3.786997 -0.1821747     5.388124 
1 1 1 22 1  25 o 175.5304 2.715398 310.0185       9.535762      319.9368       13.73688      300.0293       13.22680      178.3464 3.851179 172.7144 3.829094 5.632019       5.430796 
1 1 1 22 1  26 o 105.9290 2.868814 112.9981       6.050178      107.4721       9.202788      118.5948       7.849646      103.2480 4.456644 108.6100 3.613684 -5.362030      5.737629 
1 1 1 22 1  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 1  28 o 20.34937 6.116486 0.5345977      4.364063      0.8246379      6.773507      0.2442742      5.504670      21.55570 9.113987 19.14305 8.159708 2.412655       12.23297 
1 1 1 22 1  29 o 95.47251 2.950778 92.16957       5.653445      95.35760       8.841478      88.98154       7.045553      97.02574 4.556254 93.91928 3.750856 3.106461       5.901557 
1 1 1 22 1  30 o 111.4289 2.800365 125.6085       6.218790      120.7910       9.443663      130.4260       8.090520      109.1713 4.325157 113.6865 3.558257 -4.515228      5.600730 
1 1 1 22 1  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 1  32 o 172.1381 2.390743 299.6043       8.232210      300.5961       11.61152      298.5416       11.66820      172.4411 3.366809 171.8352 3.395173 0.6059570      4.781486 
1 1 1 22 1  33 o 65.45013 3.395086 44.05862       4.429949      47.70714       6.235084      40.41009       6.295302      68.24577 4.568110 62.65448 5.023825 5.591297       6.790173 
1 1 1 22 1  34 o 41.09252 5.096025 18.82356       4.007003      24.05902       5.717914      13.58811       5.615189      47.72858 5.990032 34.45647 8.246053 13.27211       10.19205 
1 1 1 22 1  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 1  36 o 37.76345 5.697773 16.76197       4.177740      15.21046       5.682492      18.32056       6.125274      35.92900 8.101153 39.59789 8.014348 -3.668884      11.39555 
1 1 1 22 1  37 o 36.55980 5.356726 15.70638       3.848310      12.83715       5.616605      18.57561       5.263088      32.21037 8.567333 40.90924 6.432640 -8.698875      10.71345 
1 1 1 22 1  38 o 31.91092 5.650355 12.85132       3.610979      12.30581       5.336059      13.38974       4.867064      30.83792 8.418243 32.98392 7.539180 -2.145998      11.30071 
1 1 1 22 1  39 o 17.52703 5.336082 0.5054095      3.708745      6.658030       5.699495      -5.647069      4.748044      22.53487 8.778659 12.51920 6.068791 10.01567       10.67216 
1 1 1 22 2  0  o 18.47341 10.05250 4.869189       5.175241      4.869189       5.175241      4.869189       5.175241      18.47341 10.05250 18.47341 10.05250 0.000000       0.000000 
1 1 1 22 2  1  o 414.5979 3.343011 1720.829       27.72172      1715.870       39.11362      1725.788       39.29073      414.0009 4.723857 415.1949 4.731601 -1.194092      6.686021 
1 1 1 22 2  2  o 167.2480 2.184972 279.9093       7.311223      269.8493       10.13086      290.0402       10.54176      164.2315 3.084322 170.2645 3.095701 -6.033005      4.369944 
1 1 1 22 2  3  o 70.77040 2.917629 50.19381       4.123898      46.57362       5.779550      53.81400       5.885109      68.21326 4.236383 73.32754 4.012892 -5.114281      5.835258 
1 1 1 22 2  4  o 165.4558 2.187500 273.9583       7.240376      268.6449       10.13086      279.2009       10.34340      163.8617 3.091283 167.0499 3.095900 -3.188187      4.375000 
1 1 1 22 2  5  o 321.0233 2.792068 1031.506       17.93091      1040.716       25.53969      1022.296       25.16421      322.4556 3.960186 319.5910 3.936939 2.864624       5.584136 
1 1 1 22 2  6  o 130.0812 2.222094 169.3200       5.780967      168.1156       8.168448      170.5244       8.182618      129.6183 3.150962 130.5440 3.134045 -0.9257050     4.444188 
1 1 1 22 2  7  o 336.3657 2.875077 1132.814       19.34073      1122.896       27.13370      1142.733       27.57294      334.8946 4.051081 337.8367 4.080809 -2.942108      5.750153 
1 1 1 22 2  8  f 62.91229 3.081498 39.78665       3.861770      35.01877       5.394860      44.55453       5.527341      59.12421 4.562311 66.70038 4.143411 -7.576168      6.162997 
1 1 1 22 2  9  o 246.6019 2.409234 608.8434       11.88074      615.5737       16.93908      602.0424       16.66987      247.9715 3.415530 245.2323 3.398792 2.739243       4.818468 
1 1 1 22 2  10 o 271.7213 2.525743 738.9152       13.72271      732.5391       19.28406      745.9998       19.53910      270.4850 3.564718 272.9574 3.579148 -2.472382      5.051486 
1 1 1 22 2  11 o 129.0115 2.327298 166.7695       6.025383      175.2001       9.188620      158.2681       7.792970      132.2807 3.473151 125.7423 3.098787 6.538467       4.654595 
1 1 1 22 2  12 o 100.4444 2.350400 101.1669       4.720414      108.0389       6.816014      94.22409       6.531926      103.8803 3.280707 97.00861 3.366673 6.871643       4.700800 
1 1 1 22 2  13 o 226.0862 2.318779 511.7856       10.48509      517.7366       14.91999      505.9054       14.73580      227.3926 3.280668 224.7797 3.277831 2.612915       4.637559 
1 1 1 22 2  14 o 134.3166 2.362400 180.6552       6.333559      184.8351       8.274716      176.5462       9.592437      135.8734 3.045010 132.7598 3.612705 3.113647       4.724799 
1 1 1 22 2  15 o 123.3841 2.612533 152.5297       6.399445      157.7014       6.971874      147.4288       10.73304      125.5122 2.777369 121.2560 4.425780 4.256256       5.225066 
1 1 1 22 2  16 o 22.34793 5.862244 2.603560       3.909945      5.746252       4.142318      -0.5389193     6.632525      24.07709 7.658551 20.61878 8.877512 3.458307       11.72449 
1 1 1 22 2  17 o 90.75075 3.124555 82.81801       5.590393      89.26492       6.599228      76.30025       9.025676      94.37146 3.496411 87.13004 5.179429 7.241417       6.249109 
1 1 1 22 2  18 o 248.2948 2.918720 618.7618       14.50201      616.1405       15.41591      621.4539       24.56911      247.9607 3.108539 248.6289 4.940920 -0.6681824     5.837440 
1 1 1 22 2  19 o 143.0122 3.419299 205.6635       9.670367      213.1023       9.266549      198.2957       16.98159      145.8079 3.177657 140.2165 6.055487 5.591354       6.838599 
1 1 1 22 2  20 o 309.1703 3.420360 961.3691       21.28189      927.3634       23.35765      996.0833       35.58553      303.9732 3.842058 314.3675 5.659862 -10.39435      6.840720 
1 1 1 22 2  21 o 49.61211 4.390479 25.66012       4.573056      16.98159       4.529132      34.33157       7.948828      41.02643 5.519774 58.19778 6.829152 -17.17135      8.780957 
1 1 1 22 2  22 o 151.1964 2.951368 229.9635       8.876901      243.3532       11.76738      216.5737       13.30472      155.6712 3.779564 146.7216 4.534003 8.949554       5.902735 
1 1 1 22 2  23 o 55.46723 4.185917 31.32065       4.621940      26.47484       6.342769      36.17355       6.724624      51.11526 6.204378 59.81919 5.620792 -8.703926      8.371834 
1 1 1 22 2  24 o 166.2641 2.502458 277.5714       8.324308      278.1382       12.70963      277.0755       10.74721      166.3655 3.819791 166.1627 3.233942 0.2027283      5.004916 
1 1 1 22 2  25 o 75.03364 3.309969 56.78949       4.969081      57.24999       7.679617      56.32900       6.311597      75.27745 5.100875 74.78983 4.219556 0.4876251      6.619938 
1 1 1 22 2  26 o 67.81590 4.116037 47.14746       5.541510      56.94535       8.175533      37.34958       7.481250      74.99791 5.450508 60.63390 6.169199 14.36401       8.232074 
1 1 1 22 2  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 2  28 o 34.79615 5.941914 11.33523       5.026465      1.355268       8.246379      21.31023       5.746961      23.91894 10.08187 45.67336 6.291372 -21.75441      11.88383 
1 1 1 22 2  29 o 81.27495 3.567907 67.14706       5.829850      69.59830       9.606606      64.68873       6.609147      82.54956 5.818690 80.00033 4.130700 2.549232       7.135813 
1 1 1 22 2  30 o 82.72560 3.549433 70.05880       5.991377      79.84251       9.996255      60.26799       6.611980      88.33231 5.658323 77.11890 4.286875 11.21342       7.098867 
1 1 1 22 2  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 2  32 f 47.28388 5.556429 24.74622       5.316222      33.26889       8.947746      16.23063       5.749086      55.96981 7.993369 38.59795 7.720211 17.37186       11.11286 
1 1 1 22 2  33 o 40.19107 6.205155 18.98651       5.061888      26.97784       8.501422      11.00226       5.501128      49.07655 8.996945 31.30559 8.548146 17.77096       12.41031 
1 1 1 22 2  34 o 118.3669 2.737333 143.4615       6.458955      137.4397       9.649114      149.4125       8.586436      115.6789 4.170646 121.0550 3.546503 -5.376091      5.474666 
1 1 1 22 2  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 2  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 2  37 o 78.99715 3.111120 65.67348       4.912405      65.71599       7.396237      65.63806       6.469582      78.74633 4.696242 79.24796 4.081860 -0.5016327     6.222240 
1 1 1 22 2  38 o 26.60169 5.782986 9.117774       3.748418      14.99084       5.771049      3.255336       4.784883      34.01645 8.498345 19.18693 7.845369 14.82952       11.56597 
1 1 1 22 2  39 o 15.96517 5.067560 -2.448410      3.832016      -8.012589      6.060097      3.118605       4.690660      13.50221 6.617824 18.42813 7.676266 -4.925917      10.13512 
1 1 1 22 3  0  o 53.66522 5.192429 29.62037       5.477040      29.62037       5.477040      29.62037       5.477040      53.66522 5.192429 53.66522 5.192429 0.000000       0.000000 
1 1 1 22 3  1  o 56.83887 3.873261 32.49669       4.324390      28.21763       6.626149      36.77573       5.559221      53.06736 6.243150 60.61038 4.586030 -7.543022      7.746521 
1 1 1 22 3  2  o 155.6387 2.191906 242.5030       6.823808      254.4759       9.889987      230.5302       9.408240      159.4831 3.100637 151.7943 3.099010 7.688812       4.383812 
1 1 1 22 3  3  o 410.1630 3.321129 1683.990       27.24706      1673.363       38.26348      1695.325       38.79482      408.8277 4.679658 411.4983 4.713850 -2.670563      6.642257 
1 1 1 22 3  4  o 322.0193 2.795519 1037.882       18.00176      1033.631       25.43342      1042.133       25.49010      321.3596 3.957158 322.6790 3.949760 -1.319397      5.591038 
1 1 1 22 3  5  o 107.0244 2.342762 114.6275       5.015839      116.6112       7.176617      112.6438       7.007296      107.9503 3.324037 106.0986 3.302258 1.851768       4.685524 
1 1 1 22 3  6  o 57.55797 3.259669 33.25473       3.747001      30.04544       5.180200      36.46401       5.416114      54.77195 4.728880 60.34399 4.487700 -5.572041      6.519338 
1 1 1 22 3  7  o 168.8925 2.186025 285.5061       7.382068      282.1763       10.39299      288.7650       10.49217      167.9179 3.094664 169.8672 3.088345 -1.949326      4.372049 
1 1 1 22 3  8  o 186.0083 2.205719 346.2912       8.203872      346.0079       11.63986      346.5746       11.56902      185.9316 3.130147 186.0849 3.108532 -0.1533356     4.411438 
1 1 1 22 3  9  o 231.5304 2.878556 537.6440       13.17720      497.8291       20.83557      577.4590       16.14561      222.8873 4.674015 240.1736 3.361239 -17.28632      5.757112 
1 1 1 22 3  10 o 85.97392 2.523104 74.03321       4.337850      70.25716       6.031758      77.85885       6.235793      83.76528 3.600393 88.18257 3.535729 -4.417290      5.046207 
1 1 1 22 3  11 o 160.1436 2.141910 256.7429       6.862772      250.6502       9.549930      262.8356       9.854564      158.2438 3.017475 162.0434 3.040717 -3.799667      4.283820 
1 1 1 22 3  12 o 85.86194 2.586823 73.96236       4.485917      67.73508       5.311971      80.19674       7.233293      82.25322 3.229035 89.47065 4.042271 -7.217430      5.173647 
1 1 1 22 3  13 o 100.7212 2.818773 101.7337       5.597477      107.8972       6.050887      95.57014       9.422408      103.8202 2.914119 97.62225 4.825953 6.197899       5.637546 
1 1 1 22 3  14 o 168.3194 3.421539 284.5143       11.76030      266.5196       8.983169      302.4380       21.73530      163.1739 2.752637 173.4650 6.265038 -10.29117      6.843078 
1 1 1 22 3  15 o 252.9453 2.939062 641.4323       14.89874      634.4894       15.63553      648.3042       25.36966      251.7193 3.105747 254.1714 4.990659 -2.452118      5.878124 
1 1 1 22 3  16 f 76.08678 3.832831 58.24891       5.834100      54.00528       7.998421      62.48544       8.494337      73.31133 5.455105 78.86221 5.385556 -5.550880      7.665663 
1 1 1 22 3  17 o 116.4517 2.720364 136.1644       6.236501      145.7994       6.847895      126.5295       10.42133      120.6530 2.837847 112.2505 4.641997 8.402534       5.440727 
1 1 1 22 3  18 o 33.17575 6.113000 11.76738       4.225915      9.096521       4.459704      14.43825       7.176617      29.41588 7.544491 36.93563 9.620590 -7.519749      12.22600 
1 1 1 22 3  19 o 85.67747 3.224934 73.82067       5.423907      79.13406       5.664072      68.57105       9.252379      88.85139 3.187385 82.50357 5.607261 6.347816       6.449868 
1 1 1 22 3  20 o 91.35188 3.127386 83.88069       5.681075      86.36028       6.405821      81.40111       9.379901      92.79037 3.451771 89.91339 5.216076 2.876984       6.254771 
1 1 1 22 3  21 o 103.0804 2.533129 106.6928       5.243251      103.0089       6.333559      110.3768       8.359732      101.3469 3.124692 104.8139 3.987892 -3.466980      5.066259 
1 1 1 22 3  22 o 135.1193 2.344235 183.1348       6.342769      180.7969       7.814223      185.5435       9.996255      134.2939 2.909374 135.9448 3.676587 -1.650864      4.688470 
1 1 1 22 3  23 o 186.9938 2.632966 351.3921       9.847479      348.7000       13.99901      354.0842       13.85023      186.2690 3.757739 187.7185 3.689096 -1.449509      5.265931 
1 1 1 22 3  24 o 36.33687 6.273139 13.52434       4.838017      8.777717       7.665448      18.26389       5.908488      30.28707 10.43224 42.38667 6.969748 -12.09961      12.54628 
1 1 1 22 3  25 f 198.3925 2.949863 396.4496       11.78864      412.7440       19.75164      380.2261       12.87965      202.2113 4.883911 194.5736 3.309712 7.637634       5.899726 
1 1 1 22 3  26 o 91.76767 3.569639 85.15590       6.502170      82.32210       10.76138      87.98971       7.304138      90.03998 5.975891 93.49535 3.906150 -3.455376      7.139277 
1 1 1 22 3  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 3  28 o 69.14796 4.264414 48.76982       5.904237      49.34367       9.351563      48.19598       7.204955      69.38683 6.738717 68.90910 5.227869 0.4777298      8.528829 
1 1 1 22 3  29 o 98.58093 3.265678 98.54564       6.432034      98.40395       10.62678      98.61649       7.247461      98.28126 5.406309 98.88060 3.664754 -0.5993423     6.531355 
1 1 1 22 3  30 f 34.04247 6.651420 12.72379       4.770006      13.51017       7.807138      11.93741       5.482000      34.99662 10.40177 33.08831 8.292689 1.908318       13.30284 
1 1 1 22 3  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 3  32 o 102.2793 3.342282 107.0471       6.740918      100.2459       11.05893      113.7774       7.707955      98.58866 5.608623 105.9700 3.636859 -7.381294      6.684564 
1 1 1 22 3  33 o 92.59422 3.486012 88.20225       6.395194      85.01421       10.57010      91.46112       7.197870      90.36861 5.848325 94.81982 3.795552 -4.451202      6.972024 
1 1 1 22 3  34 o 27.95530 6.988141 8.742295       4.992460      10.54176       8.338477      6.945662       5.486251      30.45426 10.84169 25.45634 8.820108 4.997915       13.97628 
1 1 1 22 3  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 3  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 3  37 o 67.05520 3.699523 48.79107       5.054803      56.68323       8.331393      40.90601       5.728541      71.97959 5.787330 62.13080 4.610065 9.848789       7.399046 
1 1 1 22 3  38 o 55.96646 3.865632 34.74247       4.332891      35.89017       6.665114      33.60187       5.538676      56.42913 5.905739 55.50380 4.989457 0.9253311      7.731264 
1 1 1 22 3  39 o 15.00613 4.957809 -1.841266      3.669780      -1.577722      5.679658      -2.104810      4.648860      15.84456 7.376664 14.16771 6.626032 1.676856       9.915618 
1 1 1 22 4  0  o 39.50785 7.174185 16.98159       5.141943      16.98159       5.141943      16.98159       5.141943      39.50785 7.174185 39.50785 7.174185 0.000000       0.000000 
1 1 1 22 4  1  o 117.0993 2.310364 137.2271       5.411155      133.4723       7.594603      140.9819       7.707955      115.4966 3.287804 118.7021 3.246765 -3.205498      4.620729 
1 1 1 22 4  2  o 310.7874 2.734146 966.3282       16.99576      967.0367       24.03777      966.3282       24.03068      310.8444 3.866528 310.7305 3.866805 0.1139221      5.468292 
1 1 1 22 4  3  o 209.1654 2.294194 437.8940       9.599521      454.8969       13.91399      420.9621       13.23388      213.2183 3.262852 205.1126 3.226004 8.105652       4.588388 
1 1 1 22 4  4  o 339.1076 2.899353 1151.234       19.66662      1174.613       28.32390      1127.855       27.29665      342.5483 4.134293 335.6669 4.066032 6.881439       5.798706 
1 1 1 22 4  5  o 145.2068 2.204509 211.0478       6.403696      220.1160       9.245295      202.0504       8.862731      148.3151 3.116776 142.0984 3.118519 6.216629       4.409019 
1 1 1 22 4  6  o 93.53619 2.509719 87.63548       4.694201      90.68183       6.687785      84.51830       6.588602      95.18290 3.513123 91.88949 3.585068 3.293411       5.019437 
1 1 1 22 4  7  o 112.0621 2.283529 126.0336       5.116439      113.5648       6.994544      138.4315       7.467082      106.5178 3.283274 117.6064 3.174608 -11.08854      4.567059 
1 1 1 22 4  8  o 401.1843 3.264594 1612.436       26.19855      1587.641       36.59153      1637.941       37.49835      398.0596 4.596238 404.3091 4.637338 -6.249420      6.529189 
1 1 1 22 4  9  o 419.8317 3.656980 1766.879       30.69013      1782.465       40.44551      1752.001       46.16272      421.7179 4.795328 417.9455 5.522576 3.772430       7.313961 
1 1 1 22 4  10 o 38.31279 5.174386 15.45133       3.752669      21.68571       4.589351      9.209873       5.938951      46.51025 4.933698 30.11533 9.097015 16.39492       10.34877 
1 1 1 22 4  11 o 67.96098 3.438470 46.35400       4.738834      43.26515       4.912405      49.44993       8.104689      65.72694 3.736980 70.19502 5.772980 -4.468086      6.876941 
1 1 1 22 4  12 o 233.7437 2.989974 546.9247       13.97775      546.9247       13.97775      ?              ?             233.7437 2.989974 ?        ?        ?              ?        
1 1 1 22 4  13 f 99.60059 2.816905 99.53748       5.688868      93.16142       5.819932      105.8427       9.776634      96.46566 3.016582 102.7355 4.758157 -6.269867      5.633811 
1 1 1 22 4  14 o 161.2538 2.652058 260.5686       8.480167      270.4869       9.061099      250.7211       14.33198      164.3818 2.756114 158.1258 4.531830 6.256012       5.304116 
1 1 1 22 4  15 o 174.9648 2.605666 306.7596       9.075267      312.7106       9.897071      300.8086       15.22463      176.7352 2.799971 173.1945 4.395241 3.540741       5.211332 
1 1 1 22 4  16 o 152.1731 2.896295 232.2305       8.820225      231.3804       11.25730      233.0806       13.57394      151.9341 3.704666 152.4121 4.453038 -0.4779968     5.792590 
1 1 1 22 4  17 o 189.8710 2.659682 361.5229       10.06710      366.9780       10.96683      356.1387       16.88241      191.4079 2.864781 188.3341 4.482037 3.073807       5.319364 
1 1 1 22 4  18 o 97.55885 3.836287 97.55381       6.779175      123.8374       6.455412      71.27025       11.92324      111.1758 2.903245 83.94191 7.102080 27.23389       7.672573 
1 1 1 22 4  19 o 94.68208 2.877994 90.11507       5.452953      83.59731       7.410406      96.63282       8.005506      91.25443 4.060299 98.10972 4.079874 -6.855286      5.755988 
1 1 1 22 4  20 o 76.69440 3.027435 59.17698       4.603519      63.38519       5.872357      54.96877       7.091603      79.47187 3.694613 73.91694 4.797008 5.554932       6.054870 
1 1 1 22 4  21 o 99.59744 2.635209 99.67917       5.227666      105.0634       6.995961      94.29493       7.771716      102.3219 3.418603 96.87297 4.011292 5.448952       5.270419 
1 1 1 22 4  22 o 59.89898 3.483641 36.30816       4.196868      31.39858       5.360146      41.21064       6.460372      55.84398 4.799216 63.95398 5.050798 -8.109997      6.967283 
1 1 1 22 4  23 o 45.14753 4.387832 20.67971       3.972289      19.60995       5.212788      21.74947       5.994919      44.00643 5.922758 46.28863 6.475585 -2.282200      8.775663 
1 1 1 22 4  24 o 194.6776 2.690521 380.9345       10.47800      377.1797       14.86332      384.6893       14.76414      193.7099 3.836489 195.6453 3.773190 -1.935364      5.381041 
1 1 1 22 4  25 o 149.0909 2.672186 223.5874       7.962997      216.1487       11.24313      231.0261       11.28564      146.5978 3.834686 151.5841 3.722567 -4.986252      5.344373 
1 1 1 22 4  26 o 145.6256 3.053296 214.3775       9.054014      234.4976       15.37340      194.2575       9.549930      152.2491 5.048766 139.0021 3.435176 13.24706       6.106593 
1 1 1 22 4  27 o 102.0919 3.554211 105.7719       7.212039      103.0797       11.90907      108.3931       8.147196      100.5273 5.923304 103.6565 3.929902 -3.129173      7.108422 
1 1 1 22 4  28 o 93.52452 3.522715 88.76900       6.473125      81.47195       10.63386      96.13691       7.374983      89.38622 5.948267 97.66283 3.775737 -8.276619      7.045429 
1 1 1 22 4  29 o 68.09521 4.080898 47.38125       5.558513      47.76382       9.202788      47.00578       6.234376      68.09706 6.757111 68.09337 4.577814 0.3692627E-02  8.161797 
1 1 1 22 4  30 o 53.41278 4.969166 29.59203       5.283633      29.30865       8.791886      29.86833       5.859605      52.77069 8.330274 54.05486 5.420053 -1.284164      9.938332 
1 1 1 22 4  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 4  32 o 136.9855 3.051609 191.4945       8.451830      203.3965       14.22571      179.6634       9.117774      140.7469 5.053649 133.2240 3.421972 7.522919       6.103218 
1 1 1 22 4  33 o 25.18769 6.649655 5.997753       4.771423      11.27855       7.934660      0.7155363      5.300636      31.59547 10.61954 18.77991 8.006056 12.81556       13.29931 
1 1 1 22 4  34 o 48.50581 5.330265 26.59528       5.270173      35.78390       8.969000      17.41375       5.536551      57.28598 7.828268 39.72565 7.236376 17.56033       10.66053 
1 1 1 22 4  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 4  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 4  37 o 20.18326 5.697211 0.2362686      4.369022      -6.434159      7.289969      6.906697       4.819597      16.35961 7.836483 24.00690 8.271783 -7.647285      11.39442 
1 1 1 22 4  38 f 41.50349 5.683285 21.65737       4.655237      23.92442       7.559181      19.39741       5.438785      42.24272 9.203067 40.76427 6.671019 1.478451       11.36657 
1 1 1 22 4  39 o 17.76551 5.487846 1.606060       3.841934      -0.2381106     5.975791      3.450160       4.830933      16.85783 7.736872 18.67320 7.785026 -1.815372      10.97569 
1 1 1 22 5  0  o 206.0999 3.227790 425.2128       13.29764      425.2128       13.29764      425.2128       13.29764      206.0999 3.227790 206.0999 3.227790 0.000000       0.000000 
1 1 1 22 5  1  o 216.6328 2.315700 469.7744       10.03876      486.2813       14.53035      453.1966       13.85023      220.4475 3.295647 212.8179 3.254010 7.629593       4.631400 
1 1 1 22 5  2  o 182.2415 2.236874 332.3347       8.154280      327.9423       11.46275      336.7271       11.59735      181.0370 3.165859 183.4459 3.160974 -2.408951      4.473747 
1 1 1 22 5  3  o 255.4284 2.475549 652.9800       12.64586      654.1844       17.89549      651.7048       17.87424      255.6710 3.499711 255.1859 3.502200 0.4851379      4.951099 
1 1 1 22 5  4  o 90.47421 2.545916 81.96787       4.605645      83.10139       6.430617      80.76351       6.594978      91.12124 3.528605 89.82719 3.670925 1.294044       5.091831 
1 1 1 22 5  5  o 121.7304 2.258461 148.3498       5.498294      151.5378       7.807138      145.0909       7.743378      123.0541 3.172239 120.4068 3.215507 2.647278       4.516922 
1 1 1 22 5  6  f 303.3714 2.922649 921.6958       17.74672      911.0690       22.95384      932.3226       27.07702      301.6556 3.804643 305.0871 4.437590 -3.431458      5.845298 
1 1 1 22 5  7  o 140.2510 2.368336 196.9496       6.647403      194.3992       8.664365      199.4292       10.08835      139.3653 3.108509 141.1367 3.573966 -1.771362      4.736672 
1 1 1 22 5  8  o 103.8687 2.444314 108.0389       5.098727      104.6383       6.147944      111.4395       8.133026      102.2482 3.006383 105.4891 3.854913 -3.240913      4.888629 
1 1 1 22 5  9  o 105.3529 2.820908 111.1561       5.904946      114.4150       6.320807      107.9680       9.975000      106.9181 2.955910 103.7877 4.805485 3.130470       5.641816 
1 1 1 22 5  10 o 203.3275 2.672171 414.0901       10.83223      419.4035       11.69654      408.7058       18.24263      204.7059 2.856912 201.9491 4.516641 2.756821       5.344342 
1 1 1 22 5  11 o 124.1492 2.627670 154.4425       6.588602      147.7122       6.761464      161.1728       11.30689      121.4846 2.782848 126.8138 4.458067 -5.329193      5.255341 
1 1 1 22 5  12 o 130.6770 2.635855 171.0911       6.864897      173.4290       7.275800      168.6824       11.64695      131.6324 2.763682 129.7216 4.489207 1.910736       5.271709 
1 1 1 22 5  13 o 122.4740 2.701010 150.2626       6.648820      147.0037       6.855688      153.5923       11.39190      121.1831 2.828648 123.7649 4.602236 -2.581764      5.402020 
1 1 1 22 5  14 f 77.79551 3.719131 60.63639       5.786633      60.63639       5.786633      ?              ?             77.79551 3.719131 ?        ?        ?              ?        
1 1 1 22 5  15 o 177.3793 2.735228 315.4027       9.741212      307.9640       11.05893      322.8415       16.03935      175.3554 3.153291 179.4032 4.470195 -4.047852      5.470456 
1 1 1 22 5  16 o 96.12030 3.204168 92.73634       6.160697      92.59465       7.615856      92.87803       9.684536      96.08894 3.962921 96.15167 5.036073 -0.6273651E-01 6.408336 
1 1 1 22 5  17 o 124.7185 2.434108 155.9302       6.057971      160.2518       7.920490      151.6795       9.167366      126.4594 3.131633 122.9776 3.727251 3.481834       4.868216 
1 1 1 22 5  18 o 53.38191 4.229339 28.74897       4.547552      27.45251       5.140526      30.04544       7.502505      52.24869 4.919288 54.51513 6.881122 -2.266441      8.458677 
1 1 1 22 5  19 o 60.17881 3.491188 36.44276       4.177740      38.24223       5.324723      34.65038       6.439827      61.70347 4.314768 58.65416 5.489659 3.049309       6.982376 
1 1 1 22 5  20 o 17.56898 5.289147 -1.528839      3.541550      -6.384568      4.579432      3.326890       5.403362      12.94971 6.205005 22.18824 8.567276 -9.238531      10.57829 
1 1 1 22 5  21 o 305.8702 3.167144 941.5324       19.37616      935.1564       27.02743      947.2001       27.77131      304.9107 4.432024 306.8298 4.525524 -1.919037      6.334289 
1 1 1 22 5  22 o 80.81851 2.921149 65.67348       4.711204      67.51546       6.203912      63.83151       7.091603      81.98634 3.783504 79.65068 4.451690 2.335655       5.842298 
1 1 1 22 5  23 o 23.73006 6.018592 4.684991       3.726456      6.147236       4.731040      3.222747       5.759713      24.96765 8.200120 22.49248 8.812027 2.475178       12.03718 
1 1 1 22 5  24 o 82.09062 2.956047 68.26641       4.892568      57.45544       6.123857      79.06322       7.630026      75.56886 4.051840 88.61239 4.305282 -13.04353      5.912094 
1 1 1 22 5  25 o 80.89072 3.259884 66.30400       5.256712      57.07287       7.204955      75.52096       7.658363      75.20956 4.789920 86.57187 4.423125 -11.36231      6.519767 
1 1 1 22 5  26 o 134.9927 2.831880 183.7015       7.637110      190.0776       10.44258      177.3963       11.13686      137.3757 3.800737 132.6096 4.199115 4.766068       5.663759 
1 1 1 22 5  27 o 78.38710 3.696359 62.37918       5.791594      62.07454       8.522675      62.68381       7.849646      78.14393 5.453191 78.63027 4.991491 -0.4863434     7.392717 
1 1 1 22 5  28 o 67.65881 3.668134 46.63738       5.018672      51.82325       8.033843      41.44443       6.017590      71.34399 5.630358 63.97363 4.703180 7.370361       7.336268 
1 1 1 22 5  29 o 78.86780 3.705360 63.38519       5.882275      65.95686       9.882903      60.82059       6.384568      80.19102 6.162101 77.54458 4.116708 2.646439       7.410720 
1 1 1 22 5  30 f 31.21035 6.462588 9.755382       4.770006      5.624399       7.856731      13.88566       5.411863      26.64010 10.32152 35.78061 7.779871 -9.140516      12.92518 
1 1 1 22 5  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 5  32 o 57.29906 5.303869 35.68472       5.387776      26.24105       8.891070      45.13546       6.091268      48.18922 9.565094 66.40889 4.586185 -18.21967      10.60774 
1 1 1 22 5  33 o 24.55312 6.593616 5.248210       4.871314      11.90199       8.189702      -1.408402      5.275132      32.12846 10.78886 16.97778 7.583107 15.15068       13.18723 
1 1 1 22 5  34 o 43.38316 6.127993 21.71405       5.254587      10.59135       8.458915      32.82966       6.237917      30.70094 10.92068 56.06537 5.563076 -25.36443      12.25599 
1 1 1 22 5  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 5  36 o 48.77241 5.909314 28.47268       5.596769      28.89775       8.841478      28.04761       6.865606      47.70514 9.604148 49.83967 6.887692 -2.134525      11.81863 
1 1 1 22 5  37 f 18.30010 5.623931 1.115103       3.900735      0.3378606      6.091268      1.891566       4.874856      18.38636 8.182155 18.21383 7.717949 0.1725273      11.24786 
1 1 1 22 5  38 o 21.19753 6.061738 4.971206       3.998502      6.709038       6.162822      3.233374       5.095185      23.16225 9.104658 19.23280 8.005242 3.929447       12.12348 
1 1 1 22 5  39 o 29.95190 6.346432 13.54560       4.155069      16.88241       6.556721      10.21588       5.105812      33.32608 9.419583 26.57772 8.507659 6.748354       12.69286 
1 1 1 22 6  0  o 370.3426 4.366744 1372.980       32.33374      1372.980       32.33374      1372.980       32.33374      370.3426 4.366744 370.3426 4.366744 0.000000       0.000000 
1 1 1 22 6  1  o 229.9828 2.363904 529.2843       10.87473      528.4341       15.36632      530.2053       15.38757      229.7904 3.343551 230.1752 3.342578 -0.3848267     4.727807 
1 1 1 22 6  2  o 219.3634 2.331609 481.6056       10.23004      483.8726       14.54451      479.2677       14.38866      219.8873 3.307266 218.8395 3.287491 1.047836       4.663218 
1 1 1 22 6  3  f 262.5343 2.595342 689.9612       13.63061      689.8904       16.65570      689.9612       21.57236      262.5605 3.171783 262.5081 4.108893 0.5236816E-01  5.190685 
1 1 1 22 6  4  o 155.3403 2.414822 241.6529       7.523758      230.7427       9.649114      252.5631       11.55485      151.8414 3.177365 158.8391 3.637281 -6.997635      4.829644 
1 1 1 22 6  5  o 166.9198 2.300220 278.9174       7.665448      281.5387       9.436578      276.2253       12.09327      167.7341 2.812958 166.1056 3.640236 1.628448       4.600441 
1 1 1 22 6  6  o 320.6506 3.337263 1030.089       21.51568      1005.293       22.39416      1055.593       36.74031      316.8813 3.533525 324.4199 5.662463 -7.538574      6.674525 
1 1 1 22 6  7  o 109.1084 2.807251 119.2324       6.105437      120.8619       6.493669      117.6030       10.34340      109.8910 2.954597 108.3259 4.774201 1.565025       5.614503 
1 1 1 22 6  8  o 91.65111 2.970278 84.16407       5.408321      86.64365       5.866689      81.68449       9.089437      93.03655 3.152895 90.26566 5.034825 2.770889       5.940556 
1 1 1 22 6  9  o 228.1694 2.779834 521.5622       12.60336      537.5732       13.97067      505.5512       20.98434      231.7474 3.014202 224.5914 4.671670 7.156006       5.559669 
1 1 1 22 6  10 o 164.7996 2.672872 272.2580       8.713958      289.9693       10.42133      254.6176       13.97067      170.1981 3.061528 159.4010 4.382240 10.79712       5.345744 
1 1 1 22 6  11 o 25.06657 5.708823 3.765421       4.033925      10.26547       4.818181      -2.735332      6.470290      31.31154 7.730276 18.82159 8.402706 12.48994       11.41765 
1 1 1 22 6  12 o 59.37761 3.859015 35.40133       4.612730      34.04111       5.202870      36.76156       7.615856      58.27266 4.464246 60.48257 6.295910 -2.209915      7.718030 
1 1 1 22 6  13 o 181.1046 3.481130 329.0758       12.59627      329.7135       11.29272      328.3674       22.51460      181.4638 3.111562 180.7454 6.228262 0.7184143      6.962261 
1 1 1 22 6  14 o 186.8727 2.424224 349.9752       9.096521      334.6018       11.37065      365.3486       14.20446      182.7942 3.110233 190.9512 3.719395 -8.156982      4.848448 
1 1 1 22 6  15 o 40.46659 5.180620 17.02410       4.055887      13.16303       5.677533      20.87807       5.793718      35.39244 8.178790 45.54074 6.361029 -10.14830      10.36124 
1 1 1 22 6  16 o 58.49335 3.480942 34.77790       4.106895      27.35332       5.071806      42.20247       6.461080      52.18026 4.859890 64.80645 4.984906 -12.62619      6.961884 
1 1 1 22 6  17 o 132.4273 2.427749 175.8377       6.423533      178.5298       8.529759      173.1456       9.606606      133.4642 3.195524 131.3905 3.655747 2.073746       4.855498 
1 1 1 22 6  18 o 35.52866 5.452206 13.58811       3.840517      9.188620       4.662321      17.98759       6.103312      29.56754 7.778909 41.48979 7.641647 -11.92225      10.90441 
1 1 1 22 6  19 o 59.93926 3.548535 36.18063       4.221664      38.29890       5.304179      34.06236       6.568765      61.74508 4.295224 58.13344 5.649730 3.611641       7.097070 
1 1 1 22 6  20 o 95.40932 2.657875 91.46112       5.082433      88.69817       6.520590      94.15324       7.800055      94.01495 3.467848 96.80370 4.028800 -2.788742      5.315750 
1 1 1 22 6  21 o 73.64989 3.119208 54.55787       4.591476      54.86959       5.880858      54.23906       7.053346      73.90184 3.978831 73.39793 4.804866 0.5039063      6.238416 
1 1 1 22 6  22 o 99.74019 2.584072 99.96254       5.151153      100.2459       6.326474      99.60831       8.133026      99.95496 3.164663 99.52541 4.085905 0.4295578      5.168144 
1 1 1 22 6  23 o 177.4987 2.373328 316.3237       8.395153      325.4628       10.48509      307.1847       13.11344      180.1472 2.910144 174.8502 3.749907 5.296982       4.746656 
1 1 1 22 6  24 f 92.76140 2.696663 86.57281       5.024340      83.17223       6.113231      89.97337       7.977167      90.99780 3.358999 94.52499 4.219608 -3.527184      5.393326 
1 1 1 22 6  25 f 88.56018 3.028499 79.06322       5.338893      84.58914       7.247461      73.60814       7.842561      91.68548 3.952350 85.43488 4.589789 6.250595       6.056999 
1 1 1 22 6  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 6  27 o 94.28004 3.061906 89.83168       5.773174      89.12323       8.055097      90.46929       8.274716      93.93606 4.287543 94.62402 4.372419 -0.6879578     6.123812 
1 1 1 22 6  28 f 80.23434 3.286548 65.23424       5.273715      67.94761       7.537927      62.52087       7.374983      81.91393 4.601127 78.55474 4.694169 3.359192       6.573096 
1 1 1 22 6  29 o 59.05999 4.526940 35.89017       5.280091      33.94193       8.657280      37.83841       6.045219      57.12718 7.577200 60.99281 4.955682 -3.865631      9.053881 
1 1 1 22 6  30 o 102.6886 3.358112 107.4013       6.852854      104.9217       11.40607      109.9517       7.601687      101.0964 5.641186 104.2809 3.644815 -3.184441      6.716224 
1 1 1 22 6  31 o 45.35424 6.280788 22.60670       5.461455      17.73255       9.167366      27.48084       5.941077      39.11967 11.16411 51.58882 5.758105 -12.46915      12.56158 
1 1 1 22 6  32 o 51.74664 5.373181 29.71247       4.929408      18.99359       7.644195      40.43843       6.221623      40.78616 9.532795 62.70711 4.960859 -21.92095      10.74636 
1 1 1 22 6  33 o 79.13492 3.674615 65.44677       5.831267      74.45828       8.798972      56.42818       7.651280      84.60982 5.199734 73.66003 5.193644 10.94979       7.349229 
1 1 1 22 6  34 o 97.44539 3.238765 98.04973       6.302387      97.69550       10.00334      98.47480       7.665448      96.82838 5.165500 98.06239 3.908455 -1.234009      6.477531 
1 1 1 22 6  35 o 26.10482 6.840798 8.947746       4.814638      11.75322       7.743378      6.139443       5.722165      29.08506 10.43829 23.12457 8.844674 5.960489       13.68160 
1 1 1 22 6  36 f 54.36774 4.359373 32.45417       4.688534      31.37024       7.537927      33.53811       5.576932      52.60033 7.165285 56.13515 4.967415 -3.534828      8.718745 
1 1 1 22 6  37 o 19.56238 5.687649 1.514670       4.043843      -2.393859      6.596395      5.423907       4.678616      17.25919 8.002202 21.86557 8.084686 -4.606380      11.37530 
1 1 1 22 6  38 o 38.23767 5.743850 18.67479       4.337142      17.77505       6.753671      19.57452       5.444452      35.71142 9.347256 40.76392 6.678028 -5.052498      11.48770 
1 1 1 22 7  0  o 75.61398 4.135398 57.72465       6.214540      57.72465       6.214540      57.72465       6.214540      75.61398 4.135398 75.61398 4.135398 0.000000       0.000000 
1 1 1 22 7  1  o 154.9721 2.244172 240.5902       6.959831      256.6721       10.16628      224.5792       9.507423      160.1451 3.174085 149.7991 3.173391 10.34601       4.488343 
1 1 1 22 7  2  o 105.5876 2.533070 111.5812       5.335350      113.8482       6.577975      109.3850       8.402238      106.6578 3.083683 104.5175 4.019537 2.140274       5.066141 
1 1 1 22 7  3  o 151.7901 2.440638 230.7427       7.424574      222.8081       9.599521      238.6066       11.33523      149.2010 3.216977 154.3792 3.671229 -5.178238      4.881276 
1 1 1 22 7  4  o 184.6582 2.664519 341.4738       9.812057      346.0079       10.71179      336.8688       16.44317      185.9431 2.880394 183.3733 4.483522 2.569839       5.329037 
1 1 1 22 7  5  o 111.9450 2.879153 125.5377       6.478791      122.0662       7.183701      129.0091       10.78264      110.4286 3.252646 113.4615 4.751672 -3.032951      5.758307 
1 1 1 22 7  6  o 192.7372 2.785145 372.0080       10.71888      375.5503       12.29872      368.5366       17.55543      193.6964 3.174743 191.7780 4.577022 1.918411       5.570289 
1 1 1 22 7  7  o 157.9356 2.696031 249.8001       8.508506      251.2170       9.882903      248.3832       13.85023      158.4214 3.119182 157.4498 4.398300 0.9715271      5.392062 
1 1 1 22 7  8  o 130.3643 2.739307 170.3118       7.190785      163.7232       8.076350      176.8296       11.89491      127.8886 3.157573 132.8399 4.477158 -4.951355      5.478614 
1 1 1 22 7  9  o 218.7700 2.854799 479.4801       12.49000      479.7636       14.32489      479.1259       20.46009      218.9086 3.271889 218.6313 4.679131 0.2773438      5.709599 
1 1 1 22 7  10 o 140.1956 2.668118 196.8788       7.495420      194.1158       8.551013      199.6417       12.31998      139.2504 3.070374 141.1409 4.364425 -1.890533      5.336235 
1 1 1 22 7  11 o 65.77048 3.605307 43.50602       4.818181      39.21989       5.294260      47.78507       8.055097      62.55750 4.231515 68.98346 5.838427 -6.425964      7.210614 
1 1 1 22 7  12 o 140.9239 2.388586 198.9332       6.750837      193.0531       8.529759      204.8134       10.46383      138.8587 3.071380 142.9891 3.658962 -4.130371      4.777173 
1 1 1 22 7  13 o 105.3708 2.872280 111.3686       5.992794      117.6030       7.010839      105.1342       9.719957      108.3663 3.234786 102.3752 4.747224 5.991158       5.744561 
1 1 1 22 7  14 o 145.9155 2.373209 213.3857       6.899612      222.8081       9.131943      203.9633       10.35048      149.1599 3.061126 142.6711 3.627393 6.488800       4.746417 
1 1 1 22 7  15 o 95.86699 2.900367 92.24043       5.562763      96.77451       8.033843      87.70633       7.693786      98.22546 4.089491 93.50851 4.113950 4.716942       5.800735 
1 1 1 22 7  16 o 30.85070 5.728532 10.00334       3.593268      9.642029       4.661613      10.35756       5.470665      30.28144 7.682021 31.41996 8.500051 -1.138519      11.45706 
1 1 1 22 7  17 o 156.1714 2.905440 244.8410       9.054014      250.7919       11.54776      238.9608       13.94233      158.1216 3.651545 154.2213 4.520236 3.900345       5.810879 
1 1 1 22 7  18 f 158.5771 2.363009 252.1380       7.502505      249.6584       8.954830      254.6176       12.04368      157.8558 2.836397 159.2985 3.780224 -1.442749      4.726017 
1 1 1 22 7  19 o 80.09502 3.441459 64.85168       5.307721      73.96236       5.655571      55.76224       8.983169      85.87724 3.292823 74.31281 6.044160 11.56443       6.882917 
1 1 1 22 7  20 o 177.1063 2.341304 314.6943       8.288886      314.4818       10.10961      314.9068       13.14886      177.1209 2.853872 177.0918 3.712444 0.2912903E-01  4.682609 
1 1 1 22 7  21 o 28.29800 5.941930 8.246379       3.669072      8.097604       4.308804      8.402238       5.939660      27.76674 7.557910 28.82926 9.170831 -1.062519      11.88386 
1 1 1 22 7  22 o 92.39120 2.710235 85.86436       4.964122      91.53197       6.191869      80.26759       7.757547      95.49228 3.242078 89.29013 4.344011 6.202148       5.420471 
1 1 1 22 7  23 o 232.3891 2.546332 542.4615       11.82406      546.2163       14.58702      538.7067       18.61103      233.3206 3.125961 231.4575 4.020399 1.863113       5.092665 
1 1 1 22 7  24 o 103.7686 2.882330 108.6057       5.967289      119.2324       8.529759      98.04973       8.345562      108.8646 3.917601 98.67265 4.228914 10.19193       5.764660 
1 1 1 22 7  25 o 169.5504 2.742195 289.8276       9.316141      265.1027       12.44750      314.6234       13.86440      162.3077 3.834537 176.7931 3.921080 -14.48541      5.484391 
1 1 1 22 7  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 7  27 o 66.42951 3.790610 44.90167       5.025048      41.11146       7.051930      48.68481       7.162447      63.58742 5.545066 69.27160 5.169830 -5.684177      7.581221 
1 1 1 22 7  28 o 22.39298 6.257033 2.959912       4.219539      0.8579351      5.929741      5.061888       6.004128      20.27946 8.548594 24.50650 9.139113 -4.227039      12.51407 
1 1 1 22 7  29 o 59.73965 4.003771 36.52069       4.781341      35.59970       6.814599      37.44168       6.709038      58.95802 5.779194 60.52129 5.542710 -1.563263      8.007542 
1 1 1 22 7  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 7  31 o 107.0909 2.960345 116.6112       6.322932      114.2733       9.932493      118.9491       7.821308      105.7903 4.694427 108.3915 3.607896 -2.601280      5.920690 
1 1 1 22 7  32 o 45.38852 5.319217 22.22413       4.697035      22.45792       7.552096      21.99743       5.583308      44.84903 8.730992 45.92801 6.078327 -1.078972      10.63843 
1 1 1 22 7  33 o 112.1686 2.900910 129.1508       6.536176      134.0391       10.56302      124.3333       7.700871      113.8766 4.637924 110.4607 3.485796 3.415833       5.801819 
1 1 1 22 7  34 o 30.39663 12.34511 12.95758       11.76738      12.95758       11.76738      ?              ?             30.39663 12.34511 ?        ?        ?              ?        
1 1 1 22 7  35 f 44.87040 6.577349 24.21488       5.885818      25.24214       10.26547      23.18763       5.756171      43.47745 11.59069 46.26334 6.221093 -2.785892      13.15470 
1 1 1 22 7  36 o 31.38137 7.182449 13.59519       5.379983      19.17071       9.457831      8.012589       5.136983      36.91614 11.54724 25.84661 8.544678 11.06953       14.36490 
1 1 1 22 7  37 o 33.08160 6.866808 14.91999       5.360855      15.00501       9.422408      14.83498       5.110063      31.24212 11.48445 34.92109 7.531239 -3.678974      13.73362 
1 1 1 22 7  38 o 35.68668 6.399217 17.65462       4.755837      18.02301       7.991336      17.28622       5.164613      33.90445 10.61614 37.46889 7.148243 -3.564442      12.79843 
1 1 1 22 8  0  o 11.60174 7.992625 -3.521714      5.791594      -3.521714      5.791594      -3.521714      5.791594      11.60174 7.992625 11.60174 7.992625 0.000000       0.000000 
1 1 1 22 8  1  o 173.1658 2.896009 300.3127       10.04585      295.4952       12.49709      305.2010       15.73471      171.7950 3.637210 174.5366 4.507569 -2.741592      5.792019 
1 1 1 22 8  2  o 32.38137 6.809914 10.70471       4.770006      10.33631       5.960205      11.06602       7.452912      31.63253 8.993732 33.13020 10.22803 -1.497671      13.61983 
1 1 1 22 8  3  o 185.1898 2.630845 343.4574       9.741212      348.3457       13.79356      338.4983       13.76522      186.5190 3.697629 183.8607 3.743382 2.658249       5.261689 
1 1 1 22 8  4  o 108.9646 2.787246 118.8782       6.072848      117.9572       8.444746      119.8700       8.735210      108.5285 3.890565 109.4007 3.992301 -0.8721695     5.574492 
1 1 1 22 8  5  o 132.8635 2.643592 176.7587       7.025008      180.8677       9.932493      172.7206       9.932493      134.3965 3.695220 131.3305 3.781488 3.065994       5.287183 
1 1 1 22 8  6  o 167.4551 2.582496 280.8303       8.650196      283.0974       12.24913      278.4924       12.21371      168.1423 3.642490 166.7679 3.661887 1.374344       5.164993 
1 1 1 22 8  7  o 197.8998 2.787061 392.4823       10.95267      408.9892       12.99301      375.9045       17.64045      202.1261 3.214084 193.6734 4.554173 8.452637       5.574122 
1 1 1 22 8  8  o 38.83471 5.898409 15.47259       4.573056      20.76472       5.066847      10.18045       7.615856      45.49186 5.568961 32.17756 10.39960 13.31429       11.79682 
1 1 1 22 8  9  o 106.8639 2.580259 114.4150       5.520965      112.6438       7.098687      116.1152       8.458915      106.0659 3.346357 107.6618 3.928465 -1.595909      5.160518 
1 1 1 22 8  10 o 162.9125 2.378781 265.7403       7.743378      268.5032       10.18754      263.0482       11.66820      163.7647 3.110420 162.0603 3.599956 1.704346       4.757562 
1 1 1 22 8  11 o 90.82658 2.698823 82.88886       4.940743      73.39561       6.174158      92.45296       7.715039      85.59992 3.606404 96.05323 4.016024 -10.45331      5.397647 
1 1 1 22 8  12 o 233.2204 2.576528 544.9412       11.99409      557.9766       15.89766      531.9764       17.97342      236.0332 3.367675 230.4077 3.900352 5.625473       5.153055 
1 1 1 22 8  13 o 92.31215 2.627588 86.00604       4.748752      100.1042       6.255630      71.83701       7.148279      99.97952 3.128456 84.64478 4.222516 15.33473       5.255176 
1 1 1 22 8  14 o 190.5601 2.354782 363.8608       8.947746      371.7955       11.07310      355.9262       14.06277      192.6841 2.873382 188.4360 3.731444 4.248093       4.709565 
1 1 1 22 8  15 o 69.40229 3.184471 48.37309       4.409404      50.13713       5.887943      46.61613       6.564514      70.68571 4.164875 68.11887 4.818426 2.566849       6.368941 
1 1 1 22 8  16 o 79.30446 2.860007 63.18681       4.492292      67.43752       5.551428      58.94318       7.063973      82.01574 3.384367 76.59319 4.611358 5.422554       5.720015 
1 1 1 22 8  17 o 103.7245 2.945791 108.1097       6.030342      114.3441       6.614814      101.8754       10.08835      106.8117 3.096483 100.6372 5.012239 6.174561       5.891583 
1 1 1 22 8  18 o 24.11239 5.250704 3.134191       3.666238      10.43549       4.417905      -4.164279      5.851103      31.48977 7.172785 16.73501 7.670119 14.75476       10.50141 
1 1 1 22 8  19 o 137.5865 2.405406 190.0068       6.641736      184.6934       7.962997      195.2493       10.63386      135.7336 2.933320 139.4395 3.813075 -3.705902      4.810812 
1 1 1 22 8  20 o 97.07077 2.639607 94.64915       5.156821      89.68999       6.219499      99.67917       8.225125      94.55339 3.288882 99.58815 4.129570 -5.034760      5.279213 
1 1 1 22 8  21 o 51.01768 4.320444 26.34732       4.409404      25.41216       6.124566      27.28248       6.344185      50.11191 6.110888 51.92344 6.109173 -1.811531      8.640888 
1 1 1 22 8  22 o 125.0286 2.980374 157.4180       7.417490      149.4833       11.13686      165.2818       9.812057      121.8213 4.570982 128.2358 3.825786 -6.414490      5.960748 
1 1 1 22 8  23 o 81.37502 3.273077 66.88493       5.313388      72.97054       7.552096      60.80642       7.474166      85.10870 4.436736 77.64135 4.813264 7.467346       6.546154 
1 1 1 22 8  24 o 147.5207 2.725860 218.9116       8.040927      226.0670       11.42024      211.8271       11.32106      149.9301 3.808522 145.1112 3.900821 4.818924       5.451719 
1 1 1 22 8  25 o 143.4915 2.905298 207.8598       8.324308      223.6582       11.84531      192.1321       11.69654      148.9767 3.975559 138.0063 4.237683 10.97041       5.810596 
1 1 1 22 8  26 o 71.44534 3.878414 52.04287       5.509629      57.49086       7.665448      46.59487       7.913406      75.27701 5.091494 67.61368 5.851928 7.663330       7.756827 
1 1 1 22 8  27 o 64.11774 3.659284 41.74198       4.701286      40.45260       6.077808      43.03136       7.176617      63.19220 4.808986 65.04327 5.516801 -1.851070      7.318568 
1 1 1 22 8  28 o 37.25341 5.632395 15.15378       4.232291      9.103605       5.521673      21.20396       6.415030      29.20551 8.761473 45.30131 7.080403 -16.09579      11.26479 
1 1 1 22 8  29 o 22.89891 5.856153 2.658819       4.080682      -4.471748      5.506087      9.790804       6.023257      15.66705 7.282055 30.13077 9.173319 -14.46373      11.71231 
1 1 1 22 8  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 8  31 o 22.35033 6.135302 2.359853       4.330057      -2.920947      6.133067      7.644195       6.113939      17.55502 7.981476 27.14563 9.320074 -9.590612      12.27060 
1 1 1 22 8  32 o 82.89838 4.046821 71.48279       6.662989      70.98687       11.54068      71.90786       6.666531      81.80283 7.053961 83.99393 3.968461 -2.191101      8.093642 
1 1 1 22 8  33 o 33.05988 7.345804 13.68729       5.702329      19.05735       10.13795      8.317224       5.229083      38.91899 11.91154 27.20076 8.599909 11.71823       14.69161 
1 1 1 22 8  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 8  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 8  36 o 28.93779 5.881518 7.134109       5.178782      -2.147317      8.990252      16.42191       5.144777      20.27541 9.378178 37.60018 7.100620 -17.32477      11.76304 
1 1 1 22 8  37 o 76.34152 3.996634 65.01462       6.149361      70.40594       10.88182      59.62330       5.724998      77.37823 7.031577 75.30482 3.801217 2.073410       7.993268 
1 1 1 22 8  38 o 22.64693 6.063281 6.411489       4.056595      5.232625       6.712580      7.594603       4.556762      21.45010 9.071301 23.84377 8.047670 -2.393663      12.12656 
1 1 1 22 9  0  o 105.5884 4.965082 112.3605       10.43549      112.3605       10.43549      112.3605       10.43549      105.5884 4.965082 105.5884 4.965082 0.000000       0.000000 
1 1 1 22 9  1  o 111.4927 3.439388 125.1834       7.651280      108.0389       10.43549      142.3280       11.19354      103.8130 5.026100 119.1723 4.696369 -15.35922      6.878776 
1 1 1 22 9  2  o 67.55362 4.374053 45.80849       5.911322      46.23357       8.586436      45.38342       8.125941      67.86121 6.326469 67.24604 6.041948 0.6151657      8.748105 
1 1 1 22 9  3  o 284.6646 3.424302 811.8857       19.50368      809.0520       24.68246      815.4280       30.20130      284.1710 4.342889 285.1581 5.295536 -0.9871521     6.848605 
1 1 1 22 9  4  o 70.83118 3.957152 50.66847       5.489793      58.97152       7.240376      42.36542       8.253463      76.70638 4.719541 64.95598 6.353120 11.75040       7.914303 
1 1 1 22 9  5  o 50.85736 4.793480 26.08519       4.923739      22.91842       6.029633      29.25198       7.785885      47.77483 6.310471 53.93990 7.217186 -6.165066      9.586961 
1 1 1 22 9  6  o 92.25558 2.989697 85.36844       5.506795      92.09874       7.821308      78.70899       7.750463      95.88322 4.078559 88.62794 4.372472 7.255280       5.979394 
1 1 1 22 9  7  o 60.85243 3.809926 37.33541       4.615563      42.66296       6.662989      32.01493       6.387401      65.22288 5.107862 56.48199 5.654370 8.740887       7.619853 
1 1 1 22 9  8  o 336.2815 3.157560 1133.523       21.26064      1117.937       27.62962      1149.109       32.31248      334.0246 4.135866 338.5384 4.772352 -4.513824      6.315119 
1 1 1 22 9  9  o 210.8585 2.539399 445.4036       10.73304      432.7932       13.83606      458.0141       16.40774      207.8964 3.327634 213.8206 3.836800 -5.924255      5.078798 
1 1 1 22 9  10 o 183.6056 2.449215 337.7898       9.025676      323.1248       11.51943      352.4548       13.89274      179.6383 3.206283 187.5729 3.703291 -7.934540      4.898430 
1 1 1 22 9  11 o 116.5713 2.537061 136.0936       5.911322      137.5105       7.807138      134.7475       8.876901      117.1768 3.331350 115.9658 3.827379 1.211014       5.074123 
1 1 1 22 9  12 o 200.0886 2.801602 401.3379       11.17937      408.4933       13.21971      394.1117       18.03010      201.9541 3.272949 198.2230 4.547933 3.731094       5.603203 
1 1 1 22 9  13 o 129.4824 2.470691 168.0448       6.381733      173.8541       8.494337      162.2355       9.528677      131.7405 3.223889 127.2242 3.744837 4.516335       4.941383 
1 1 1 22 9  14 o 172.7640 2.280073 299.0375       7.877984      301.1628       11.05185      296.9830       11.22896      173.3716 3.187330 172.1564 3.261268 1.215179       4.560147 
1 1 1 22 9  15 o 116.0580 2.380627 135.1726       5.524507      125.2543       7.615856      145.1618       8.005506      111.7768 3.406724 120.3392 3.326226 -8.562355      4.761254 
1 1 1 22 9  16 o 78.05946 3.119435 61.47945       4.816055      69.67623       6.587893      53.28266       7.027133      83.32095 3.953324 72.79798 4.826462 10.52297       6.238870 
1 1 1 22 9  17 o 58.39994 4.048039 35.66346       4.409404      49.08154       6.046636      22.23830       6.419281      69.90289 4.325026 46.89700 6.844022 23.00589       8.096079 
1 1 1 22 9  18 o 83.90552 3.492657 72.04955       5.724290      53.79274       8.048012      90.25676       8.140111      73.04391 5.509023 94.76711 4.294798 -21.72320      6.985315 
1 1 1 22 9  19 o 236.7675 2.849951 563.3609       13.49601      557.7640       18.84482      568.8868       19.32656      235.6076 3.999196 237.9274 4.061441 -2.319855      5.699902 
1 1 1 22 9  20 o 100.6618 2.915117 101.8754       5.869523      100.6710       8.125941      103.0089       8.473083      100.0917 4.059248 101.2318 4.184989 -1.140129      5.830234 
1 1 1 22 9  21 o 189.3190 2.698027 360.3894       10.21588      374.8418       14.65078      346.0079       14.23988      193.1126 3.793327 185.5254 3.837717 7.587173       5.396055 
1 1 1 22 9  22 o 121.8357 3.105857 149.5542       7.523758      140.1318       11.35648      158.9766       9.868733      117.9138 4.815585 125.7576 3.923713 -7.843735      6.211714 
1 1 1 22 9  23 o 92.75810 3.465294 86.92703       6.396611      90.54014       8.076350      83.24309       9.918325      94.81312 4.259089 90.70309 5.467468 4.110023       6.930587 
1 1 1 22 9  24 o 223.6046 2.730442 503.0716       12.19954      508.3142       16.20229      497.8291       18.24972      224.8581 3.602782 222.3512 4.103805 2.506927       5.460884 
1 1 1 22 9  25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 9  26 o 111.9651 3.061685 126.7420       6.855688      135.1726       9.904156      118.3823       9.479085      115.6891 4.280505 108.2411 4.378690 7.447998       6.123369 
1 1 1 22 9  27 o 23.44245 6.356434 2.140233       4.704828      -4.266296      6.641736      8.543928       6.665823      17.85188 8.177790 29.03302 9.733487 -11.18114      12.71287 
1 1 1 22 9  28 f 67.07954 3.709698 45.91476       4.935075      42.59921       7.516674      49.22322       6.399445      64.50991 5.825984 69.64916 4.594057 -5.139252      7.419397 
1 1 1 22 9  29 o 66.68684 3.747370 45.50386       4.990335      44.98669       7.722124      46.01394       6.320807      66.14971 5.836854 67.22397 4.701304 -1.074257      7.494740 
1 1 1 22 9  30 o 74.60743 3.607265 57.12247       5.392026      58.73774       8.239295      55.50719       6.959122      75.52724 5.454518 73.68761 4.722043 1.839630       7.214531 
1 1 1 22 9  31 o 82.88879 3.219476 70.36343       5.346686      72.54546       8.133026      68.16015       6.944952      84.05711 4.837799 81.72047 4.249213 2.336632       6.438952 
1 1 1 22 9  32 o 55.21591 4.075725 31.93701       4.515672      33.53811       6.937868      30.33591       5.781674      56.43159 6.147150 54.00024 5.353379 2.431351       8.151449 
1 1 1 22 9  33 o 44.81727 5.624365 22.20288       4.897527      22.08953       7.941744      22.31623       5.729958      43.66457 9.364429 45.96996 6.232285 -2.305393      11.24873 
1 1 1 22 9  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 9  35 o 29.21204 7.921245 11.31397       7.877984      13.05677       14.82081      9.578268       5.367939      30.66769 13.23805 27.75639 8.702784 2.911301       15.84249 
1 1 1 22 9  36 o 33.90469 6.670089 16.08185       4.984667      23.03177       8.869816      9.139028       4.547552      40.56935 10.75518 27.24002 7.892170 13.32932       13.34018 
1 1 1 22 9  37 o 61.39182 3.797006 42.44335       4.791259      51.60363       8.062181      33.28306       5.182325      67.36531 5.983927 55.41833 4.675642 11.94698       7.594011 
1 1 1 22 9  38 o 20.60280 5.815425 5.086684       3.968747      11.96575       6.659447      -1.793091      4.320138      27.42233 9.696228 13.78327 6.423383 13.63905       11.63085 
1 1 1 22 10 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 10 1  o 117.3550 3.463081 138.0773       8.125941      143.3198       11.55485      132.9055       11.42733      119.5719 4.831756 115.1381 4.962444 4.433853       6.926162 
1 1 1 22 10 2  o 108.0889 3.501240 117.2488       7.573349      124.6875       11.06602      109.8100       10.34340      111.5206 4.961422 104.6572 4.941560 6.863419       7.002480 
1 1 1 22 10 3  o 103.0209 3.294181 106.5511       6.738085      114.2733       8.784801      98.75818       10.21588      106.8034 4.112605 99.23848 5.147134 7.564896       6.588362 
1 1 1 22 10 4  o 258.4715 2.935356 669.3453       15.17504      660.2062       21.36691      678.4843       21.55110      256.7057 4.161752 260.2374 4.140663 -3.531677      5.870712 
1 1 1 22 10 5  o 104.7341 2.880533 110.3768       6.009797      95.78268       8.324308      124.9709       8.671450      97.77076 4.257054 111.6974 3.881670 -13.92666      5.761065 
1 1 1 22 10 6  o 141.1288 2.440879 199.5000       6.875525      206.1595       9.252379      192.8406       10.17337      143.4973 3.223888 138.7604 3.665803 4.736847       4.881759 
1 1 1 22 10 7  o 119.3427 2.517230 142.7530       6.032466      134.8184       7.707955      150.6877       9.280719      116.0351 3.321391 122.6503 3.783405 -6.615280      5.034461 
1 1 1 22 10 8  o 121.7041 2.499941 148.3498       6.082767      149.0583       8.055097      147.6413       9.117774      122.0068 3.301085 121.4014 3.755218 0.6054077      4.999883 
1 1 1 22 10 9  o 77.48735 3.087372 60.27508       4.755128      64.78791       6.349145      55.76224       7.080267      80.40961 3.948001 74.56508 4.747710 5.844536       6.174744 
1 1 1 22 10 10 o 103.5339 2.662048 107.4721       5.489793      113.0689       7.261631      101.8754       8.232210      106.2492 3.417265 100.8186 4.082683 5.430534       5.324096 
1 1 1 22 10 11 o 213.8329 2.537318 458.1558       10.83931      467.5782       14.36032      448.7333       16.23063      216.0606 3.323215 211.6051 3.835122 4.455475       5.074635 
1 1 1 22 10 12 o 126.6142 2.843488 160.8186       7.148279      168.1864       8.465999      153.4507       11.51234      129.5731 3.266881 123.6552 4.655017 5.917938       5.686976 
1 1 1 22 10 13 o 162.3854 2.442386 264.2525       7.934660      262.4105       10.27255      266.1653       12.10036      161.8371 3.173733 162.9337 3.713275 -1.096680      4.884771 
1 1 1 22 10 14 o 53.77869 4.326385 29.15988       4.647444      28.38058       6.807514      29.93209       6.328599      53.04191 6.417108 54.51548 5.804406 -1.473564      8.652769 
1 1 1 22 10 15 o 172.7369 2.484200 299.5334       8.558097      318.7325       11.85948      280.3344       12.34123      178.3040 3.325637 167.1699 3.691224 11.13403       4.968399 
1 1 1 22 10 16 o 42.69714 5.983800 19.27697       4.987500      16.28731       6.038843      22.26664       7.941744      39.38434 7.945071 46.00994 8.949823 -6.625599      11.96760 
1 1 1 22 10 17 o 90.52524 3.097328 82.53463       5.591102      90.32761       7.934660      74.74166       7.877984      94.82796 4.183713 86.22252 4.568403 8.605438       6.194656 
1 1 1 22 10 18 o 108.3775 3.834025 118.8782       8.487252      131.7012       14.53035      105.9844       8.770633      114.0818 6.368389 102.6733 4.271138 11.40855       7.668050 
1 1 1 22 10 19 o 90.71504 3.068726 82.88886       5.556387      88.76900       7.885069      76.93786       7.835476      93.97398 4.195347 87.45609 4.479663 6.517891       6.137452 
1 1 1 22 10 20 o 92.37113 3.406179 86.00604       6.316556      82.81801       7.771716      89.19408       9.960832      90.73168 4.282802 94.01058 5.297719 -3.278900      6.812357 
1 1 1 22 10 21 o 88.15832 3.239312 78.28393       5.710830      78.85069       8.253463      77.71716       7.899237      88.46574 4.664780 87.85090 4.495821 0.6148376      6.478624 
1 1 1 22 10 22 o 101.7131 3.378222 104.8509       6.771382      89.61916       9.989170      120.1534       9.146112      94.17079 5.303752 109.2553 4.185660 -15.08453      6.756444 
1 1 1 22 10 23 o 91.92252 3.302896 85.22675       6.067889      83.52647       8.699788      86.92703       8.465999      90.98700 4.780787 92.85804 4.558571 -1.871040      6.605792 
1 1 1 22 10 24 o 36.47557 7.043180 14.36032       5.400528      10.31506       7.545012      18.41266       7.729208      31.69875 10.35552 41.25240 9.549285 -9.553654      14.08636 
1 1 1 22 10 25 o 78.84456 4.005013 63.80317       6.245002      52.41835       8.770633      75.16674       8.891070      71.64111 6.121230 86.04802 5.166342 -14.40691      8.010027 
1 1 1 22 10 26 o 189.1222 3.133883 361.8063       11.91616      379.9427       18.80231      343.6700       14.63661      193.6623 4.854407 184.5821 3.964798 9.080154       6.267766 
1 1 1 22 10 27 o 76.83116 3.547207 60.06255       5.454370      64.25658       7.962997      55.86851       7.452912      79.51924 5.006963 74.14307 5.026035 5.376167       7.094414 
1 1 1 22 10 28 o 94.74019 2.945339 90.89436       5.570556      94.29493       7.523758      87.56464       8.210957      96.56860 3.895551 92.91178 4.418684 3.656815       5.890678 
1 1 1 22 10 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 10 30 o 36.97742 5.872494 15.08294       4.250002      14.97667       5.603854      15.18921       6.390944      37.00375 7.814280 36.95110 8.768226 0.5264664E-01  11.74499 
1 1 1 22 10 31 o 73.67154 3.445223 55.88976       5.031425      61.38026       6.787676      50.39926       7.431659      77.48801 4.379824 69.85508 5.319341 7.632927       6.890446 
1 1 1 22 10 32 o 90.02577 2.851269 83.10139       5.132025      86.50197       7.325392      79.77167       7.190785      91.87358 3.986669 88.17796 4.077428 3.695618       5.702538 
1 1 1 22 10 33 o 34.16617 6.622573 14.60828       4.695619      16.60611       6.675033      12.60336       6.606313      36.69078 9.123516 31.64155 9.601841 5.049234       13.24515 
1 1 1 22 10 34 o 34.49227 6.636452 14.62953       4.903194      12.37665       7.807138      16.88241       5.934701      31.11830 10.53387 37.86624 8.075116 -6.747938      13.27290 
1 1 1 22 10 35 o 49.09495 4.633958 27.14787       4.689242      33.30432       7.934660      20.99143       4.998836      54.13794 7.328187 44.05196 5.673795 10.08598       9.267917 
1 1 1 22 10 36 o 70.84424 3.502851 54.49411       5.059054      62.19498       8.451830      46.79324       5.559221      75.12731 5.625005 66.56117 4.176024 8.566139       7.005702 
1 1 1 22 10 37 o 32.52333 6.090179 14.19737       4.240084      13.28347       7.039886      15.11836       4.726081      29.79108 10.00287 35.25557 6.950091 -5.464489      12.18036 
1 1 1 22 11 0  o 199.8512 3.355587 399.9919       13.40391      399.9919       13.40391      399.9919       13.40391      199.8512 3.355587 199.8512 3.355587 0.000000       0.000000 
1 1 1 22 11 1  f 259.5974 2.756499 675.0837       14.31073      675.8630       21.61486      674.2335       18.76689      259.7234 4.161130 259.4713 3.616371 0.2521667      5.512998 
1 1 1 22 11 2  o 88.48387 2.964877 78.42561       5.256712      80.40928       8.083434      76.51279       6.724624      89.56880 4.512417 87.39894 3.847086 2.169861       5.929754 
1 1 1 22 11 3  o 26.99298 6.253584 6.031758       4.334308      0.4519214      6.118898      11.61152       6.140152      20.62622 8.688795 33.35975 8.996337 -12.73353      12.50717 
1 1 1 22 11 4  o 142.1747 2.661211 202.4755       7.566265      204.4592       10.91016      200.4919       10.49217      142.8677 3.818273 141.4817 3.707962 1.386047       5.322423 
1 1 1 22 11 5  o 59.33187 3.976479 35.40842       4.708370      38.61062       6.717540      32.20622       6.597811      62.02841 5.414889 56.63533 5.824819 5.393078       7.952958 
1 1 1 22 11 6  o 74.74049 3.435202 56.03853       5.136275      57.56171       7.339560      54.50828       7.183701      75.75950 4.843987 73.72150 4.872189 2.038002       6.870403 
1 1 1 22 11 7  o 121.8608 2.711018 148.8457       6.609147      156.6387       9.599521      141.1236       9.089437      125.0375 3.838657 118.6841 3.829255 6.353378       5.422037 
1 1 1 22 11 8  o 200.6303 2.693092 403.3216       10.80389      397.6540       15.28131      408.9892       15.28131      199.2178 3.835325 202.0428 3.781701 -2.824921      5.386184 
1 1 1 22 11 9  o 333.0222 3.372507 1112.269       22.46501      1095.975       31.47651      1129.272       32.05745      330.5323 4.761488 335.5122 4.777389 -4.979919      6.745014 
1 1 1 22 11 10 o 34.00320 5.735311 12.12161       3.890109      14.64370       5.263797      9.606606       5.729958      37.49543 7.279017 30.51098 8.865160 6.984442       11.47062 
1 1 1 22 11 11 o 188.4164 2.493998 355.7845       9.394071      357.5556       12.29872      353.9425       14.20446      188.9239 3.254942 187.9090 3.779612 1.014923       4.987997 
1 1 1 22 11 12 o 154.8765 2.472761 240.4485       7.672533      235.7727       9.982086      245.1243       11.64695      153.3946 3.253727 156.3584 3.724439 -2.963791      4.945522 
1 1 1 22 11 13 o 125.4723 2.640215 157.9848       6.624024      163.6524       9.379901      152.2463       9.351563      127.7444 3.671357 123.2002 3.795271 4.544136       5.280430 
1 1 1 22 11 14 o 81.02029 3.651314 66.17648       5.853937      60.22548       8.954830      72.12038       7.537927      77.30865 5.791610 84.73193 4.448103 -7.423279      7.302627 
1 1 1 22 11 15 o 95.72952 3.001572 92.31127       5.744127      82.74717       7.835476      101.8045       8.402238      90.76678 4.316269 100.6923 4.172236 -9.925484      6.003143 
1 1 1 22 11 16 o 86.35992 3.719714 75.09589       6.414322      75.80434       7.644195      74.38744       10.30089      86.85616 4.400491 85.86368 5.998398 0.9924774      7.439429 
1 1 1 22 11 17 o 65.46291 4.209331 43.41393       5.448702      38.70272       8.168448      48.12513       7.212039      61.82407 6.606204 69.10175 5.218421 -7.277672      8.418661 
1 1 1 22 11 18 o 156.4032 3.048123 246.0453       9.514507      239.6692       14.55160      252.3505       12.24913      154.3028 4.715273 158.5036 3.863991 -4.200806      6.096247 
1 1 1 22 11 19 o 82.50969 3.356237 68.58521       5.539385      71.12856       7.948828      66.01354       7.715039      84.05104 4.728573 80.96835 4.764233 3.082695       6.712474 
1 1 1 22 11 20 o 194.2212 3.112277 379.8719       12.07202      387.1689       15.91183      372.5748       18.15762      196.1881 4.055248 192.2543 4.722291 3.933792       6.224554 
1 1 1 22 11 21 o 37.79510 6.171721 15.31673       4.629732      11.19354       6.588602      19.43283       6.506421      32.60788 9.516473 42.98232 7.861125 -10.37445      12.34344 
1 1 1 22 11 22 o 226.5044 2.927249 516.6739       13.26930      534.7394       19.37616      498.6084       18.13637      230.4416 4.204136 222.5671 4.074358 7.874466       5.854498 
1 1 1 22 11 23 o 60.17525 4.587748 36.86074       5.520965      38.46893       7.927575      35.25965       7.686701      61.49225 6.445996 58.85825 6.529843 2.634003       9.175495 
1 1 1 22 11 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 11 25 o 32.41072 6.602824 11.22188       4.551095      12.19245       5.980750      10.24421       6.861355      33.59988 8.796863 31.22155 9.849077 2.378334       13.20565 
1 1 1 22 11 26 o 83.45576 3.256552 70.53346       5.424615      72.33293       7.240376      68.74107       8.083434      84.58928 4.279725 82.32224 4.909630 2.267044       6.513103 
1 1 1 22 11 27 o 131.2733 2.701124 174.0666       7.083809      176.5462       9.337394      171.5870       10.65512      132.3042 3.528761 130.2424 4.090494 2.061768       5.402249 
1 1 1 22 11 28 o 48.78701 4.664057 24.66121       4.565263      22.93967       5.967998      26.38274       6.910948      47.14695 6.329145 50.42707 6.852418 -3.280113      9.328115 
1 1 1 22 11 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 11 30 o 144.9633 2.654493 213.5274       7.665448      226.3504       10.35756      200.7752       11.29981      149.4702 3.464758 140.4563 4.022533 9.013901       5.308985 
1 1 1 22 11 31 o 91.84431 3.013944 86.28942       5.533717      86.78535       7.332476      85.86436       8.288886      92.22581 3.975284 91.46281 4.531287 0.7630005      6.027889 
1 1 1 22 11 32 o 38.34773 5.847919 16.66987       4.365480      17.40666       5.774590      15.93308       6.548929      39.56182 7.568265 37.13364 8.917062 2.428177       11.69584 
1 1 1 22 11 33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 11 34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 11 35 o 21.40333 6.067539 3.931907       4.266296      9.946663       7.119940      -2.080014      4.705537      27.85773 10.00813 14.94893 6.862763 12.90881       12.13508 
1 1 1 22 11 36 o 57.47736 4.179872 37.04494       4.629024      32.92175       7.580434      41.17522       5.319056      52.76598 7.183070 62.18875 4.276542 -9.422768      8.359743 
1 1 1 22 11 37 o 24.20067 6.248736 8.529759       4.121064      13.59519       6.928658      3.470705       4.463954      29.72938 9.923524 18.67196 7.596741 11.05742       12.49747 
1 1 1 22 12 0  o 46.59721 6.260194 22.91842       5.669739      22.91842       5.669739      22.91842       5.669739      46.59721 6.260194 46.59721 6.260194 0.000000       0.000000 
1 1 1 22 12 1  o 87.51434 2.712318 76.72533       4.748044      77.15040       6.791928      76.30025       6.635359      87.75536 3.869807 87.27331 3.801483 0.4820557      5.424636 
1 1 1 22 12 2  o 187.3112 2.323436 351.3213       8.706873      349.9043       12.31998      352.7381       12.29872      186.9328 3.295296 187.6897 3.276345 -0.7568665     4.646872 
1 1 1 22 12 3  o 182.9427 2.468801 335.3811       9.061099      349.8335       13.85023      320.8578       11.68237      186.8788 3.705672 179.0065 3.263113 7.872299       4.937602 
1 1 1 22 12 4  o 105.8977 2.706527 112.3605       5.722874      110.3059       8.763549      114.4150       7.360813      104.9108 4.176667 106.8847 3.443343 -1.973907      5.413055 
1 1 1 22 12 5  o 42.26494 4.964303 18.38432       4.132399      21.60778       6.354813      15.15378       5.282925      46.34324 6.856246 38.18664 7.181163 8.156597       9.928606 
1 1 1 22 12 6  o 166.9127 2.473493 279.0592       8.253463      276.3670       12.46167      281.7513       10.81806      166.0872 3.751544 167.7383 3.224684 -1.651077      4.946986 
1 1 1 22 12 7  o 22.64928 6.075346 2.723289       4.053761      -0.5693827     6.234376      6.016172       5.182325      19.96379 8.601344 25.33477 8.582316 -5.370974      12.15069 
1 1 1 22 12 8  o 144.9011 2.515505 210.4102       7.261631      201.4128       10.92433      219.4784       9.578268      141.7669 3.852920 148.0353 3.235131 -6.268402      5.031010 
1 1 1 22 12 9  o 172.7143 2.499618 298.9666       8.614774      289.2609       12.88674      308.6724       11.43441      169.8844 3.792797 175.5442 3.256847 -5.659836      4.999237 
1 1 1 22 12 10 o 109.8287 3.063987 121.1453       6.765715      128.8674       10.51342      113.4231       8.515590      113.3064 4.639380 106.3511 4.003528 6.955261       6.127975 
1 1 1 22 12 11 o 66.95209 4.300940 45.46135       5.716498      37.92342       7.927575      52.99928       8.239295      61.33194 6.462844 72.57223 5.676617 -11.24029      8.601879 
1 1 1 22 12 12 o 83.69141 3.569273 70.44845       5.991377      72.68716       9.351563      68.20265       7.495420      84.98082 5.502161 82.40199 4.548082 2.578835       7.138545 
1 1 1 22 12 13 o 67.29359 4.164580 45.73056       5.552136      41.69947       8.395153      49.76165       7.268716      64.26077 6.532099 70.32641 5.167842 -6.065643      8.329161 
1 1 1 22 12 14 o 226.1322 3.161307 513.9818       14.36032      534.7394       22.72005      493.2241       17.56960      230.5870 4.926567 221.6774 3.962876 8.909592       6.322614 
1 1 1 22 12 15 o 144.1228 3.056164 208.6391       8.813140      209.4184       13.51726      207.9306       11.30689      144.3220 4.683021 143.9236 3.928088 0.3984070      6.112329 
1 1 1 22 12 16 o 177.9343 2.783851 318.0240       9.904156      312.4981       13.95650      323.5499       14.06277      176.3845 3.956272 179.4841 3.917552 -3.099655      5.567701 
1 1 1 22 12 17 o 113.8967 2.995163 130.4260       6.820973      125.8210       9.606606      135.1018       9.684536      111.8621 4.293950 115.9314 4.176840 -4.069244      5.990325 
1 1 1 22 12 18 o 107.0382 3.018561 115.3360       6.466040      123.4832       9.472000      107.1888       8.806056      110.8228 4.273489 103.2535 4.264287 7.569267       6.037123 
1 1 1 22 12 19 o 140.7534 2.852647 199.5000       8.026759      185.7561       11.12978      213.2440       11.56902      135.8869 4.095235 145.6200 3.972332 -9.733017      5.705294 
1 1 1 22 12 20 o 122.7950 2.746263 151.7504       6.705496      162.8022       8.997337      140.6985       9.946663      127.3260 3.533190 118.2639 4.205282 9.062050       5.492525 
1 1 1 22 12 21 o 74.99851 3.509867 56.81783       5.280091      54.61454       6.744461      59.01403       8.125941      73.59916 4.581887 76.39787 5.318173 -2.798706      7.019733 
1 1 1 22 12 22 o 29.04468 6.515452 8.189702       4.456161      11.39899       5.885818      4.988917       6.692744      32.70068 8.803298 25.38868 9.607621 7.312000       13.03090 
1 1 1 22 12 23 o 128.1599 5.016606 168.9658       13.15595      151.6795       12.39791      186.2520       23.20180      122.3657 5.065925 133.9541 8.660355 -11.58840      10.03321 
1 1 1 22 12 24 o 95.43887 3.246012 92.16957       6.185493      94.01155       8.097604      90.32761       9.351563      96.48425 4.196335 94.39350 4.953500 2.090744       6.492025 
1 1 1 22 12 25 o 82.69003 3.386083 69.30075       5.577641      73.25391       7.537927      65.35468       8.225125      85.12395 4.427618 80.25612 5.124299 4.867836       6.772166 
1 1 1 22 12 26 o 101.5508 2.984278 104.2841       6.057263      105.1342       8.033843      103.5048       9.068183      102.0226 3.937284 101.0789 4.485694 0.9437103      5.968556 
1 1 1 22 12 27 o 138.7702 2.697717 194.6117       7.474166      198.2957       10.03168      190.9986       11.09435      140.1592 3.578673 137.3813 4.037796 2.777878       5.395433 
1 1 1 22 12 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 12 29 o 63.17570 3.882550 41.08312       4.915238      39.11362       6.509255      43.05970       7.367898      61.72673 5.272638 64.62466 5.700532 -2.897923      7.765100 
1 1 1 22 12 30 o 60.33210 3.958905 37.78173       4.738834      41.11854       6.361189      34.44493       7.025008      63.20403 5.032266 57.46017 6.112937 5.743858       7.917809 
1 1 1 22 12 31 o 74.91836 3.413170 58.17806       5.129899      55.07504       6.625441      61.28108       7.835476      73.07106 4.533560 76.76566 5.103504 -3.694595      6.826340 
1 1 1 22 12 32 o 31.51079 6.572310 11.37065       4.733166      15.71346       6.251379      7.027133       7.105771      36.77755 8.636785 26.24403 9.908936 10.53351       13.14462 
1 1 1 22 12 33 o 47.82199 5.677234 28.37349       5.010171      38.51852       6.915198      18.22846       7.254546      58.88524 5.871758 36.75874 9.718354 22.12650       11.35447 
1 1 1 22 12 34 o 19.52592 5.851067 1.617396       4.082099      4.530550       5.734918      -1.296467      5.810013      21.87207 8.723940 17.17977 7.799540 4.692293       11.70213 
1 1 1 22 12 35 o 28.94566 6.089511 10.73304       3.938992      7.134109       5.403362      14.33906       5.732792      24.22131 8.716920 33.67002 8.505522 -9.448715      12.17902 
1 1 1 22 12 36 o 30.61004 5.857715 12.35540       3.737791      9.889987       5.288592      14.82081       5.283633      27.10146 8.656918 34.11863 7.893611 -7.017174      11.71543 
1 1 1 22 12 37 o 16.14947 5.269138 -0.3261003     3.938992      4.198285       6.526258      -4.850770      4.412946      20.10488 8.732831 12.19405 5.898554 7.910829       10.53828 
1 1 1 22 13 0  o 96.00179 3.735282 92.66550       7.148279      92.66550       7.148279      92.66550       7.148279      96.00179 3.735282 96.00179 3.735282 0.000000       0.000000 
1 1 1 22 13 1  o 140.1347 2.311144 196.6662       6.478083      199.7126       9.209873      193.6199       9.110690      141.2206 3.260811 139.0489 3.276075 2.171738       4.622289 
1 1 1 22 13 2  o 211.0253 2.381010 445.9704       10.04585      451.5672       14.30364      440.4445       14.11944      212.3409 3.368085 209.7096 3.366427 2.631271       4.762019 
1 1 1 22 13 3  o 60.32811 3.473274 36.51360       4.190492      36.74739       5.895027      36.27982       5.957372      60.52290 4.870080 60.13331 4.953470 0.3895912      6.946549 
1 1 1 22 13 4  o 69.46846 3.089811 48.43685       4.288259      51.59655       6.120315      45.27715       6.009089      71.74098 4.265564 67.19594 4.471318 4.545044       6.179621 
1 1 1 22 13 5  f 30.38555 5.780116 9.549930       3.739208      13.27639       5.299220      5.824182       5.277257      35.60528 7.661165 25.16583 8.657108 10.43945       11.56023 
1 1 1 22 13 6  o 90.63052 2.673430 82.53463       4.830933      73.96236       6.767131      91.10690       6.896070      85.90308 3.938818 95.35796 3.615886 -9.454887      5.346860 
1 1 1 22 13 7  f 29.58769 6.493738 8.926493       4.295343      10.55593       6.918740      7.297054       5.091643      32.18327 9.838271 26.99211 8.478382 5.191168       12.98748 
1 1 1 22 13 8  o 136.4903 3.615217 187.3147       9.684536      176.0503       17.08077      198.5082       9.146112      132.2143 6.459505 140.7663 3.248687 -8.552017      7.230433 
1 1 1 22 13 9  o 230.4548 3.820131 534.0309       17.59086      533.8893       31.27106      534.1018       16.11728      230.0667 6.796086 230.8429 3.490962 -0.7762146     7.640262 
1 1 1 22 13 10 o 132.3543 3.677034 176.4045       9.932493      189.3692       17.89549      163.4398       8.636027      137.0145 6.530513 127.6942 3.381528 9.320290       7.354069 
1 1 1 22 13 11 o 132.5522 3.745651 176.7587       9.868733      173.8541       17.59086      179.7342       8.954830      131.2046 6.703600 133.8998 3.343854 -2.695282      7.491302 
1 1 1 22 13 12 o 104.1298 4.013972 109.5266       8.572267      119.5158       15.48676      99.46662       7.367898      108.6847 7.124624 99.57487 3.699678 9.109856       8.027944 
1 1 1 22 13 13 o 54.45502 5.427930 30.68304       5.464289      25.68846       9.181536      35.68472       5.930449      49.34708 9.647083 59.56297 4.978302 -10.21589      10.85586 
1 1 1 22 13 14 o 166.2015 3.069844 277.5714       10.13086      267.7239       16.81865      287.4897       11.28564      163.0823 5.156489 169.3206 3.332623 -6.238312      6.139687 
1 1 1 22 13 15 o 75.63809 4.902235 58.68106       7.353730      71.27025       10.84640      46.06353       9.932493      83.92482 6.461972 67.35136 7.373640 16.57346       9.804470 
1 1 1 22 13 16 o 172.1056 2.427601 297.4081       8.359732      283.5933       11.55485      311.2229       12.07910      168.1056 3.436783 176.1056 3.429506 -8.000031      4.855202 
1 1 1 22 13 17 o 111.4879 2.595702 124.8292       5.788051      126.2461       8.069265      123.3415       8.295970      112.1454 3.597681 110.8304 3.742641 1.314949       5.191404 
1 1 1 22 13 18 o 55.57722 3.870483 31.21438       4.302428      31.17188       6.006254      31.24981       6.161405      55.54956 5.406212 55.60487 5.540347 -0.5530930E-01 7.740967 
1 1 1 22 13 19 o 114.7245 2.970611 132.4096       6.814599      133.6140       9.592437      131.2053       9.684536      115.2526 4.161483 114.1963 4.240304 1.056374       5.941221 
1 1 1 22 13 20 o 115.6549 2.802816 134.6767       6.512089      125.7502       8.345562      143.6740       9.996255      111.8427 3.730937 119.4671 4.183685 -7.624390      5.605632 
1 1 1 22 13 21 o 103.3652 3.044562 108.1097       6.354813      94.15324       7.807138      121.9954       10.03168      96.72507 4.035737 110.0053 4.559635 -13.28020      6.089125 
1 1 1 22 13 22 o 94.13927 3.393297 89.83168       6.314431      100.0334       8.380984      79.62997       9.443663      99.61509 4.206684 88.66344 5.325567 10.95164       6.786594 
1 1 1 22 13 23 o 101.6418 8.907764 108.0389       18.10803      108.0389       18.10803      ?              ?             101.6418 8.907764 ?        ?        ?              ?        
1 1 1 22 13 24 o 142.7630 2.732657 205.5219       7.814223      201.9088       10.20170      209.0641       11.83114      141.5955 3.602412 143.9304 4.110022 -2.334961      5.465314 
1 1 1 22 13 25 o 103.3713 3.009839 108.1806       6.187618      116.1152       8.310139      100.2459       9.167366      107.2647 3.873658 99.47784 4.607743 7.786903       6.019678 
1 1 1 22 13 26 o 43.59961 5.441195 20.20504       4.568805      23.18763       6.141568      17.22246       6.766423      47.46302 6.469845 39.73619 8.750286 7.726833       10.88239 
1 1 1 22 13 27 o 43.56092 5.424907 20.39633       4.631149      16.11728       6.033884      24.67537       7.027133      38.47425 8.096550 48.64759 7.222490 -10.17334      10.84981 
1 1 1 22 13 28 o 51.13057 7.471059 29.49993       7.516674      32.89342       7.792970      26.11353       12.85132      55.99043 6.959198 46.27071 13.22257 9.719723       14.94212 
1 1 1 22 13 29 o 129.4797 2.750564 170.4535       7.119940      173.2873       9.486169      167.6197       10.60552      130.6937 3.629162 128.2658 4.134197 2.427856       5.501128 
1 1 1 22 13 30 o 58.79522 4.018420 36.01769       4.735292      34.28198       6.245711      37.76048       7.119940      57.47511 5.433405 60.11534 5.921900 -2.640228      8.036839 
1 1 1 22 13 31 o 34.30272 6.220502 13.58102       4.315888      15.01209       5.891485      12.14995       6.308055      36.30932 8.291652 32.29611 9.275078 4.013206       12.44100 
1 1 1 22 13 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 13 33 f 35.27087 12.54298 17.69004       11.15812      17.69004       11.15812      ?              ?             35.27087 12.54298 ?        ?        ?              ?        
1 1 1 22 13 34 o 49.79823 4.385578 27.33916       4.349185      29.71247       6.105437      24.97293       6.196119      52.21440 5.846508 47.38206 6.538465 4.832333       8.771155 
1 1 1 22 13 35 o 79.59906 3.304799 68.06097       5.238293      71.90786       7.112856      64.24241       7.693786      82.23521 4.324703 76.96291 4.998373 5.272293       6.609598 
1 1 1 22 13 36 f 18.80515 5.695247 1.921321       4.025423      -2.723997      5.311971      6.566639       6.050178      14.90747 6.994186 22.70283 8.990257 -7.795361      11.39049 
1 1 1 22 14 0  o 66.15499 4.827055 44.53328       6.318681      44.53328       6.318681      44.53328       6.318681      66.15499 4.827055 66.15499 4.827055 0.000000       0.000000 
1 1 1 22 14 1  o 59.16496 3.459610 35.29507       4.068638      30.43509       5.709413      40.15505       5.797969      55.05939 5.184777 63.27052 4.581889 -8.211124      6.919221 
1 1 1 22 14 2  o 59.55431 3.496138 35.81932       4.137358      30.20838       5.740584      41.42318       5.960205      54.85052 5.232935 64.25810 4.637707 -9.407578      6.992276 
1 1 1 22 14 3  o 97.37889 2.851884 95.07423       5.542927      92.80718       8.487252      97.34127       7.127024      96.19411 4.411524 98.56367 3.615442 -2.369568      5.703768 
1 1 1 22 14 4  o 153.1218 2.762563 235.0643       8.494337      240.8028       13.85732      229.3258       9.819141      154.9341 4.472003 151.3095 3.244720 3.624573       5.525127 
1 1 1 22 14 5  o 182.4722 2.792541 333.8224       10.18045      332.2639       16.44317      335.3811       12.01534      181.9737 4.518007 182.9708 3.283404 -0.9971466     5.585081 
1 1 1 22 14 6  o 128.4291 2.844519 165.4943       7.339560      170.9494       11.97992      159.9684       8.494337      130.5054 4.589818 126.3528 3.361358 4.152596       5.689038 
1 1 1 22 14 7  o 153.4660 2.786339 236.2687       8.593520      243.4949       14.04860      229.0425       9.897071      155.7437 4.510165 151.1883 3.273094 4.555435       5.572677 
1 1 1 22 14 8  o 101.0422 3.649456 0.000000       0.000000      ?              ?             102.3713       7.374983      ?        ?        101.0422 3.649456 ?              ?        
1 1 1 22 14 9  o 106.9398 3.072646 114.9109       6.512797      108.6057       10.39299      121.2161       7.856731      103.9332 4.999841 109.9464 3.572984 -6.013184      6.145293 
1 1 1 22 14 10 f 68.87772 3.653505 48.03303       4.925865      40.30382       7.438744      55.76933       6.461789      63.23622 5.881711 74.51923 4.335652 -11.28302      7.307011 
1 1 1 22 14 11 o 264.0417 3.286251 701.0839       17.47751      728.9969       29.29448      673.0292       19.07861      269.0667 5.443721 259.0167 3.682891 10.05002       6.572502 
1 1 1 22 14 12 o 88.16656 3.736397 78.42561       6.429908      70.19340       10.66220      86.71449       7.190785      83.37756 6.393927 92.95557 3.867862 -9.578011      7.472794 
1 1 1 22 14 13 o 105.1768 2.837632 111.3686       5.921948      99.96254       8.678535      122.7747       8.062181      99.73872 4.350635 110.6149 3.644256 -10.87621      5.675264 
1 1 1 22 14 14 o 66.03865 4.409050 44.17197       5.903528      47.45210       9.982086      40.88475       6.301678      68.36089 7.301021 63.71641 4.945098 4.644482       8.818101 
1 1 1 22 14 15 o 55.75665 5.250399 31.83074       5.947453      37.20080       9.620775      26.46776       6.996669      60.42307 7.961177 51.09024 6.847365 9.332832       10.50080 
1 1 1 22 14 16 o 79.05968 3.828021 63.20098       6.183367      69.23699       10.79680      57.16497       6.033175      82.68983 6.528496 75.42954 3.999213 7.260284       7.656041 
1 1 1 22 14 17 o 72.89935 4.135970 53.77149       6.016172      53.58729       10.42133      53.95568       6.013339      72.55775 7.181400 73.24095 4.105175 -0.6831970     8.271939 
1 1 1 22 14 18 o 198.0784 3.054868 394.8910       12.08619      393.9700       20.67262      395.7411       12.53251      197.5628 5.231913 198.5941 3.155308 -1.031342      6.109736 
1 1 1 22 14 19 o 47.98000 5.585879 24.05902       5.595352      30.80348       9.663282      17.30748       5.644944      54.71468 8.830613 41.24533 6.843131 13.46935       11.17176 
1 1 1 22 14 20 o 191.6925 2.622155 369.4576       10.06710      373.9917       16.03935      364.9235       12.17120      192.7357 4.160970 190.6494 3.192039 2.086349       5.244309 
1 1 1 22 14 21 o 37.47161 6.296499 14.38866       5.287884      4.656654       7.955913      24.11570       6.966915      26.37046 10.35139 48.57275 7.171629 -22.20229      12.59300 
1 1 1 22 14 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 14 23 o 99.34656 3.446550 100.1751       6.721791      91.39028       11.00226      108.8890       7.722124      94.73276 5.806997 103.9604 3.713976 -9.227592      6.893100 
1 1 1 22 14 24 o 28.68520 6.437161 7.608772       4.568805      3.504711       7.289969      11.71779       5.509629      24.43102 9.800327 32.93937 8.348757 -8.508348      12.87432 
1 1 1 22 14 25 o 45.51838 5.029999 21.62903       4.646736      25.73097       7.467082      17.52710       5.532300      49.79156 7.498342 41.24521 6.706597 8.546349       10.06000 
1 1 1 22 14 26 o 75.18159 3.576249 57.89468       5.411863      65.75850       8.373900      50.03086       6.860647      80.26579 5.216357 70.09739 4.893654 10.16840       7.152498 
1 1 1 22 14 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 14 28 o 117.4163 3.059114 140.6277       7.176617      127.8755       9.925409      153.4507       10.36465      112.0171 4.430311 122.8155 4.219602 -10.79843      6.118227 
1 1 1 22 14 29 o 50.49376 5.144775 27.63671       4.986792      33.63729       7.183701      21.63612       6.915198      56.69215 6.335710 44.29536 8.107628 12.39679       10.28955 
1 1 1 22 14 30 o 26.55463 6.351364 6.661572       4.531257      0.5721457      6.477375      12.75213       6.338518      20.10772 8.716544 33.00154 9.240193 -12.89382      12.70273 
1 1 1 22 14 31 o 70.16983 3.873214 51.92243       5.452245      48.41560       7.098687      55.42927       8.281801      67.95822 5.222832 72.38145 5.720942 -4.423225      7.746428 
1 1 1 22 14 32 f 23.34206 6.337831 4.988917       4.719706      -2.837349      6.060805      12.81589       7.233293      16.32147 7.606994 30.36264 10.13933 -14.04117      12.67566 
1 1 1 22 14 33 o 37.65959 6.038251 17.51293       4.471039      14.27530       6.065056      20.75055       6.570890      33.76700 8.866991 41.55217 8.198680 -7.785172      12.07650 
1 1 1 22 14 34 o 19.19419 5.803523 2.109770       3.961662      1.421863       5.434533      2.797676       5.766089      18.44349 7.989449 19.94488 8.419751 -1.501385      11.60705 
1 1 1 22 14 35 o 41.49176 5.398977 21.35982       4.269130      26.07811       5.712247      16.63445       6.347020      47.90864 5.961604 35.07489 9.003060 12.83375       10.79795 
1 1 1 22 14 36 o 16.95167 5.449105 0.4008420      4.044551      0.2461162      5.277257      0.5555679      6.129525      16.42449 7.448599 17.47885 7.955461 -1.054365      10.89821 
1 1 1 22 15 0  o 173.9735 4.578045 303.8550       15.90474      303.8550       15.90474      303.8550       15.90474      173.9735 4.578045 173.9735 4.578045 0.000000       0.000000 
1 1 1 22 15 1  o 85.05582 4.593585 0.000000       0.000000      ?              ?             72.61631       7.814223      ?        ?        85.05582 4.593585 ?              ?        
1 1 1 22 15 2  o 94.27154 3.417477 89.26492       6.432034      86.64365       9.599521      91.88619       8.558097      92.85860 5.168892 95.68448 4.472041 -2.825882      6.834954 
1 1 1 22 15 3  o 115.8812 3.141099 135.3851       7.197870      117.1779       10.49217      153.5923       9.861650      108.0124 4.856929 123.7501 3.984502 -15.73767      6.282198 
1 1 1 22 15 4  o 27.84235 6.285021 6.585768       4.401611      2.058053       6.960539      11.11561       5.389193      23.18205 9.467882 32.50265 8.268325 -9.320601      12.57004 
1 1 1 22 15 5  o 77.27287 4.114222 0.000000       0.000000      ?              ?             59.91377       6.358355      ?        ?        77.27287 4.114222 ?              ?        
1 1 1 22 15 6  o 114.0252 2.985682 130.5677       6.772799      126.5295       10.92433      134.5350       8.012589      112.2066 4.867952 115.8439 3.458357 -3.637306      5.971364 
1 1 1 22 15 7  o 69.30318 3.174825 48.29516       4.390984      45.07170       6.254212      51.51862       6.164948      66.97536 4.669039 71.63100 4.303268 -4.655632      6.349649 
1 1 1 22 15 8  o 259.9977 2.845997 678.5551       14.82081      691.6614       22.74130      665.4488       19.01485      262.4327 4.332788 257.5626 3.691306 4.870117       5.691993 
1 1 1 22 15 9  o 44.55073 4.784405 20.96309       4.236542      28.18221       6.929367      13.74396       4.874856      52.82186 6.559185 36.27959 6.967010 16.54227       9.568810 
1 1 1 22 15 10 o 93.83969 3.065456 88.48563       5.724998      84.80168       8.848563      92.16957       7.268716      91.83680 4.817548 95.84259 3.792007 -4.005791      6.130912 
1 1 1 22 15 11 o 144.9655 2.563214 210.9061       7.389152      202.5464       11.66112      219.2658       9.082352      142.0256 4.105286 147.9054 3.070324 -5.879807      5.126428 
1 1 1 22 15 12 o 50.33349 4.687096 26.29065       4.368313      20.36799       6.827350      32.22039       5.450828      44.08200 8.042191 56.58499 4.816497 -12.50299      9.374192 
1 1 1 22 15 13 o 107.3696 2.817099 115.9027       5.989960      108.4640       9.464915      123.4123       7.346645      103.8278 4.557987 110.9115 3.311941 -7.083656      5.634199 
1 1 1 22 15 14 o 34.51939 7.150911 12.48292       5.403362      13.41099       9.082352      11.55485       5.857479      36.01170 11.32597 33.02708 8.732963 2.984612       14.30182 
1 1 1 22 15 15 o 153.7191 3.016757 237.7564       9.372816      248.6666       16.27314      226.7754       9.301972      157.0626 5.180463 150.3757 3.092911 6.686905       6.033514 
1 1 1 22 15 16 o 66.63721 4.355733 45.10712       5.919114      49.22322       10.30089      40.98394       5.839768      69.49055 7.411718 63.78385 4.577779 5.706703       8.711466 
1 1 1 22 15 17 o 56.97631 4.980443 33.02802       5.579058      31.07978       9.528677      34.98335       5.809304      55.04987 8.654586 58.90274 4.931269 -3.852867      9.960887 
1 1 1 22 15 18 o 105.7532 3.560102 112.9272       7.587519      116.8237       13.24096      109.0307       7.410406      107.3321 6.168220 104.1742 3.556736 3.157883       7.120204 
1 1 1 22 15 19 o 56.38103 5.367901 32.73047       6.264839      37.83133       11.05185      27.62962       5.900695      60.52439 9.130077 52.23767 5.647931 8.286720       10.73580 
1 1 1 22 15 20 o 160.6019 3.324507 260.2852       10.65512      259.1516       18.44808      261.4896       10.66220      159.8672 5.769816 161.3366 3.304334 -1.469391      6.649015 
1 1 1 22 15 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 15 22 o 40.51478 6.466953 18.07969       5.219872      22.63503       8.451830      13.52434       6.127400      45.66706 9.561858 35.36249 8.709581 10.30458       12.93391 
1 1 1 22 15 23 o 219.8250 2.707532 487.2731       11.89491      486.4938       18.84482      487.9816       14.53035      219.4241 4.294153 220.2259 3.298964 -0.8017731     5.415064 
1 1 1 22 15 24 f 91.99075 3.155116 85.86436       5.863147      92.59465       9.535762      79.13406       6.827350      95.45247 4.995031 88.52904 3.855995 6.923431       6.310232 
1 1 1 22 15 25 o 31.09448 6.491179 10.58427       4.367605      12.63170       6.973290      8.543928       5.259546      33.90353 9.756844 28.28543 8.564207 5.618107       12.98236 
1 1 1 22 15 26 o 61.29112 12.32163 0.000000       0.000000      ?              ?             43.72564       14.57285      ?        ?        61.29112 12.32163 ?              ?        
1 1 1 22 15 27 o 54.80411 4.317200 31.14354       4.685700      29.08195       7.254546      33.19805       5.936826      52.73476 6.878335 56.87347 5.219328 -4.138710      8.634400 
1 1 1 22 15 28 o 31.75222 6.281530 11.18645       4.269130      9.585353       6.728167      12.78047       5.256712      29.56162 9.778899 33.94281 7.886927 -4.381193      12.56306 
1 1 1 22 15 29 o 22.62767 6.274874 4.222373       4.177032      5.660530       6.653071      2.783507       5.053387      24.90573 9.533799 20.34961 8.161056 4.556122       12.54975 
1 1 1 22 15 30 f 32.34362 6.472970 12.28455       4.448369      15.45842       7.091603      9.117774       5.374315      36.29263 9.614765 28.39460 8.669122 7.898029       12.94594 
1 1 1 22 15 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 15 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 15 33 o 28.59360 6.586596 10.38590       4.352728      11.22188       6.798304      9.549930       5.438076      29.43940 9.829730 27.74780 8.769800 1.691605       13.17319 
1 1 1 22 15 34 o 42.57064 5.538113 22.30915       4.568805      24.95876       7.098687      19.65245       5.756171      44.75296 8.239722 40.38833 7.402009 4.364624       11.07623 
1 1 1 22 15 35 o 28.18297 5.951510 10.43549       4.389567      1.597559       5.987834      19.26989       6.419991      18.45335 8.172455 37.91258 8.654066 -19.45922      11.90302 
1 1 1 22 16 0  o 216.1962 4.851960 469.2784       20.95601      469.2784       20.95601      469.2784       20.95601      216.1962 4.851960 216.1962 4.851960 0.000000       0.000000 
1 1 1 22 16 1  o 94.99870 3.711112 90.82352       7.051221      92.80718       10.06710      88.76900       9.875818      96.05604 5.240222 93.94135 5.256374 2.114685       7.422223 
1 1 1 22 16 2  o 106.1503 3.208199 113.6357       6.894653      99.32494       8.239295      127.9464       11.05893      99.47849 4.141244 112.8222 4.901046 -13.34367      6.416398 
1 1 1 22 16 3  o 207.8332 2.962137 434.2101       12.46167      402.3297       13.76522      466.0904       20.78598      200.3231 3.435755 215.3432 4.826243 -15.02017      5.924275 
1 1 1 22 16 4  o 41.38959 5.442427 17.69713       4.374690      19.02193       5.574099      16.37232       6.743752      43.41478 6.419586 39.36440 8.790277 4.050385       10.88485 
1 1 1 22 16 5  f 133.5746 2.653193 179.2383       7.049803      166.9112       10.47092      191.4945       9.443663      128.9518 4.060014 138.1975 3.416727 -9.245773      5.306386 
1 1 1 22 16 6  o 100.6865 2.896475 101.9462       5.863855      111.1561       9.011506      92.80718       7.502505      105.2065 4.282771 96.16653 3.900788 9.039970       5.792950 
1 1 1 22 16 7  o 105.7772 2.885619 112.5730       6.058680      101.9462       8.947746      123.1998       8.168448      100.7355 4.441206 110.8189 3.685495 -10.08336      5.771238 
1 1 1 22 16 8  o 128.3346 2.699745 165.2818       6.937160      168.5407       10.47800      162.0229       9.096521      129.5731 4.043278 127.0960 3.578602 2.477089       5.399490 
1 1 1 22 16 9  o 153.6105 2.638271 236.7646       8.104689      237.1897       12.29872      236.3395       10.56302      153.7094 4.000640 153.5116 3.440462 0.1978455      5.276542 
1 1 1 22 16 10 o 150.9808 2.924192 229.3258       8.820225      247.9581       12.75213      210.7644       12.19954      157.1243 4.057975 144.8372 4.211465 12.28709       5.848384 
1 1 1 22 16 11 o 211.8321 2.601538 450.7170       10.95975      429.8177       17.01701      471.6164       13.81481      206.8148 4.114070 216.8493 3.185348 -10.03450      5.203077 
1 1 1 22 16 12 o 79.73223 3.828370 64.56121       6.297428      74.74166       10.90307      54.35950       6.305221      85.93749 6.343607 73.52697 4.287693 12.41052       7.656740 
1 1 1 22 16 13 o 78.85351 3.326026 62.60588       5.270173      64.90127       8.444746      60.31050       6.304513      80.23544 5.262478 77.47157 4.068920 2.763870       6.652051 
1 1 1 22 16 14 o 90.74556 3.503832 83.03055       6.346311      87.21041       8.834394      78.85069       9.117774      93.05957 4.746634 88.43155 5.155272 4.628021       7.007664 
1 1 1 22 16 15 o 27.12989 6.458049 6.816723       4.297468      5.316930       6.881900      8.317224       5.148319      25.96864 9.764487 28.29114 8.454608 -2.322508      12.91610 
1 1 1 22 16 16 o 91.93777 3.134095 85.15590       5.713664      80.12590       9.004422      90.18591       7.032801      89.12957 5.051311 94.74597 3.711399 -5.616402      6.268191 
1 1 1 22 16 17 o 57.03810 4.238360 32.98552       4.851478      33.89942       7.842561      32.06453       5.714372      57.72313 6.793258 56.35308 5.070151 1.370049       8.476720 
1 1 1 22 16 18 o 37.80158 7.341763 15.23880       6.074974      16.65570       10.77555      13.82898       5.612355      39.54926 12.31636 36.05391 7.994579 3.495342       14.68353 
1 1 1 22 16 19 o 26.24906 7.023693 0.2435657      6.495794      -8.628942      11.48400      9.110690       6.068598      22.83782 10.57714 29.66030 9.244092 -6.822479      14.04739 
1 1 1 22 16 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 16 21 o 59.46806 6.308692 37.51252       7.403321      41.11146       13.25513      33.92067       6.601354      61.21519 11.24718 57.72094 5.718336 3.494251       12.61738 
1 1 1 22 16 22 o 124.8846 3.628963 158.4098       9.167366      167.6197       15.66387      149.1999       9.521592      128.1402 6.112002 121.6290 3.914196 6.511276       7.257926 
1 1 1 22 16 23 o 57.48803 5.309630 34.94084       6.462497      44.30657       11.54776      25.56803       5.811430      64.94650 8.890213 50.02956 5.807996 14.91693       10.61926 
1 1 1 22 16 24 o 112.5895 3.515780 129.1508       8.026759      137.0854       14.02734      121.2161       7.785885      115.5734 6.068584 109.6055 3.551775 5.967911       7.031559 
1 1 1 22 16 25 o 62.73155 3.994346 40.41009       4.979708      38.88692       7.863815      41.94035       6.111814      61.30989 6.413170 64.15322 4.763451 -2.843334      7.988693 
1 1 1 22 16 26 o 59.44210 5.867045 37.83133       7.008005      39.66621       11.60444      35.98935       7.856731      60.21122 9.636444 58.67297 6.695357 1.538246       11.73409 
1 1 1 22 16 27 o 50.07047 5.019445 27.14079       4.592185      19.96417       7.098687      34.32449       5.828433      42.34554 8.680699 57.79540 5.042298 -15.44986      10.03889 
1 1 1 22 16 28 o 28.85845 6.221667 8.798972       4.212454      5.234042       6.479500      12.36957       5.384233      24.49805 9.399655 33.21885 8.153713 -8.720797      12.44333 
1 1 1 22 16 29 o 78.28394 3.427929 63.53395       5.374315      64.85876       8.458915      62.20206       6.633943      78.79074 5.367962 77.77715 4.264712 1.013596       6.855858 
1 1 1 22 16 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 16 31 o 24.21064 6.493518 5.923365       4.463954      4.670114       6.993836      7.176617       5.547885      23.32521 9.502466 25.09607 8.852471 -1.770855      12.98704 
1 1 1 22 16 32 o 37.41187 5.794784 16.99576       4.255670      20.31840       6.584351      13.68020       5.394152      41.13485 8.294271 33.68890 8.094637 7.445950       11.58957 
1 1 1 22 16 33 f 35.59026 6.017333 15.98267       4.274089      16.16687       6.794761      15.79847       5.187992      34.85069 9.493129 36.32983 7.396871 -1.479134      12.03467 
1 1 1 22 16 34 o 32.87025 6.215512 14.92708       4.366188      20.50968       6.575850      9.344479       5.744836      39.60529 8.545038 26.13522 9.028438 13.47007       12.43102 
1 1 1 22 16 35 o 24.54910 6.080181 7.814223       4.293218      1.825680       6.314431      13.80772       5.817806      18.37312 8.249046 30.72508 8.934632 -12.35196      12.16036 
1 1 1 22 17 0  o 11.17844 7.685997 -3.059803      5.309138      -3.059803      5.309138      -3.059803      5.309138      11.17844 7.685997 11.17844 7.685997 0.000000       0.000000 
1 1 1 22 17 1  o 70.01346 3.501027 49.55620       4.914530      42.40084       6.439827      56.71865       7.424574      64.92944 4.959096 75.09747 4.943292 -10.16803      7.002055 
1 1 1 22 17 2  o 112.2277 2.812260 126.4586       6.276175      120.1534       9.642029      132.8347       8.040927      109.3658 4.408154 115.0895 3.493336 -5.723701      5.624520 
1 1 1 22 17 3  o 136.7381 2.625108 187.6689       7.204955      195.8161       11.26438      179.5217       8.997337      139.6679 4.032559 133.8082 3.362027 5.859665       5.250215 
1 1 1 22 17 4  o 65.64097 3.680318 43.42809       4.782758      40.05586       7.403321      46.79324       6.057263      63.03436 5.872449 68.24757 4.437713 -5.213215      7.360635 
1 1 1 22 17 5  o 35.97062 6.383845 13.68729       4.597144      12.69546       6.618357      14.68620       6.381733      34.68084 9.334467 37.26039 8.711007 -2.579548      12.76769 
1 1 1 22 17 6  o 107.7475 3.028171 116.6820       6.527675      122.4913       9.422408      110.8727       9.032760      110.4332 4.266112 105.0618 4.298785 5.371429       6.056341 
1 1 1 22 17 7  o 106.8796 3.112462 115.1943       6.635359      102.1587       9.224042      128.1589       9.535762      100.8066 4.575117 112.9526 4.221134 -12.14598      6.224924 
1 1 1 22 17 8  o 115.4766 2.855047 134.1099       6.619773      143.6032       10.08835      124.6167       8.572267      119.5454 4.219464 111.4078 3.847247 8.137611       5.710095 
1 1 1 22 17 9  o 28.20534 6.351654 7.325392       4.529132      14.08402       6.985334      0.5712955      5.766089      36.38376 9.498339 20.02692 8.435376 16.35684       12.70331 
1 1 1 22 17 10 f 33.48804 6.540772 11.89491       4.654528      15.94725       6.942119      7.835476       6.201787      38.70356 9.109414 28.27253 9.388577 10.43102       13.08154 
1 1 1 22 17 11 o 66.87280 3.920309 45.78724       5.247502      56.76824       8.097604      34.81332       6.679992      75.02269 5.396770 58.72292 5.687722 16.29977       7.840619 
1 1 1 22 17 12 o 125.6626 2.862165 158.7640       7.169532      151.4670       10.67637      166.0611       9.571183      122.7259 4.349679 128.5992 3.721323 -5.873291      5.724330 
1 1 1 22 17 13 o 28.29087 6.757675 7.792970       4.556053      8.692703       6.901738      6.892527       5.950287      29.69268 9.904226 26.88905 9.196247 2.803631       13.51535 
1 1 1 22 17 14 o 83.30544 3.459390 70.02337       5.742710      66.99120       8.600604      73.04137       7.615856      81.44738 5.279853 85.16351 4.471314 -3.716125      6.918779 
1 1 1 22 17 15 o 131.3183 2.882972 173.4290       7.566265      171.1620       11.50526      175.6960       9.819141      130.3967 4.411635 132.2399 3.712626 -1.843124      5.765944 
1 1 1 22 17 16 o 48.96532 5.474888 24.95876       5.151861      22.13203       7.785885      27.78548       6.750128      45.64127 8.845107 52.28939 6.454587 -6.648121      10.94978 
1 1 1 22 17 17 o 59.16080 4.622008 35.81932       5.343143      29.85416       8.069265      41.78448       7.009422      54.05330 7.464176 64.26831 5.453249 -10.21502      9.244017 
1 1 1 22 17 18 o 117.4832 3.094918 139.2108       7.247461      135.8102       11.51234      142.5405       8.798972      115.9250 4.965425 119.0414 3.695760 -3.116394      6.189837 
1 1 1 22 17 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 17 20 o 29.05942 7.512198 7.141194       6.009089      5.899278       10.25130      8.388069       6.272632      29.42618 11.68675 28.69266 9.442059 0.7335186      15.02440 
1 1 1 22 17 21 o 44.48765 6.747370 20.33257       6.554596      6.694161       11.57610      33.97735       6.152195      31.13802 12.40246 57.83727 5.318539 -26.69925      13.49474 
1 1 1 22 17 22 o 49.37745 6.868600 26.74405       6.520590      14.79247       10.98100      38.68855       7.034926      37.18559 12.49288 61.56930 5.713015 -24.38371      13.73720 
1 1 1 22 17 23 o 54.29792 5.577756 30.95226       6.224457      35.16755       10.89599      26.73697       6.019006      57.50964 9.473185 51.08620 5.891030 6.423443       11.15551 
1 1 1 22 17 24 o 112.8621 4.716639 131.8429       10.47800      129.4341       19.31948      134.3224       8.133026      110.4047 8.749396 115.3195 3.526302 -4.914818      9.433278 
1 1 1 22 17 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 17 26 o 54.52068 5.919967 32.22747       6.013339      29.06778       10.43549      35.38717       5.975082      50.31987 10.69111 58.72148 5.087646 -8.401608      11.83993 
1 1 1 22 17 27 o 32.62825 7.331904 12.88674       5.707996      19.35490       10.06001      6.416448       5.401945      40.17720 11.77004 25.07931 8.746047 15.09789       14.66381 
1 1 1 22 17 28 o 29.43831 6.528545 10.08127       4.322264      12.31289       6.806805      7.849646       5.328265      32.31818 9.734338 26.55845 8.702315 5.759726       13.05709 
1 1 1 22 17 29 o 17.59157 5.667958 -4.194035      4.700578      -8.699788      7.530843      0.3135608      5.629357      16.49250 7.915735 18.69064 8.114440 -2.198135      11.33592 
1 1 1 22 17 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 17 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 17 32 o 24.42286 6.193446 6.688493       4.074306      4.344226       6.349145      9.032760       5.106521      21.92366 9.012949 26.92207 8.497166 -4.998417      12.38689 
1 1 1 22 17 33 o 21.01508 6.001425 4.017630       4.089892      1.820721       6.356230      6.213830       5.149736      19.35958 8.512481 22.67058 8.462038 -3.310995      12.00285 
1 1 1 22 17 34 o 35.11072 5.996007 16.88949       4.226623      21.01976       6.642444      12.75922       5.227666      39.46956 8.651165 30.75187 8.304563 8.717690       11.99201 
1 1 1 22 18 0  o 67.01428 5.048816 45.80849       6.690619      45.80849       6.690619      45.80849       6.690619      67.01428 5.048816 67.01428 5.048816 0.000000       0.000000 
1 1 1 22 18 1  o 149.9341 2.470912 225.5002       7.410406      232.2305       10.59844      218.8407       10.35756      152.1615 3.482629 147.7067 3.506124 4.454712       4.941823 
1 1 1 22 18 2  o 58.15752 3.848474 34.26781       4.557470      39.33324       7.488335      29.20238       5.199328      62.43374 5.997026 53.88131 4.824797 8.552429       7.696947 
1 1 1 22 18 3  o 30.01946 6.395894 9.365732       4.204661      10.84640       6.748711      7.877984       5.015839      32.34322 9.682821 27.69570 8.358996 4.647516       12.79179 
1 1 1 22 18 4  o 95.13688 2.927084 90.96520       5.577641      92.31127       8.777717      89.54830       6.886859      95.81103 4.580745 94.46273 3.645279 1.348297       5.854167 
1 1 1 22 18 5  o 63.72589 3.943238 41.01936       5.059763      43.95235       7.955913      38.07928       6.249961      65.96382 6.030513 61.48796 5.082265 4.475861       7.886476 
1 1 1 22 18 6  o 58.62833 4.266102 35.06128       4.846519      28.19638       7.403321      41.92618       6.257754      52.72544 7.020635 64.53121 4.848627 -11.80577      8.532204 
1 1 1 22 18 7  o 102.9803 2.918365 106.6220       6.006963      106.3386       9.202788      106.8345       7.729208      102.8149 4.475415 103.1458 3.746741 -0.3308411     5.836730 
1 1 1 22 18 8  o 111.0799 2.882729 124.0499       6.388110      121.2161       9.854564      126.8129       8.133026      109.7682 4.488806 112.3916 3.618165 -2.623390      5.765457 
1 1 1 22 18 9  o 65.46812 4.193781 43.35017       5.544343      46.03519       9.153197      40.66513       6.256337      67.39331 6.790879 63.54294 4.922921 3.850372       8.387562 
1 1 1 22 18 10 o 104.9074 3.009356 110.6602       6.327183      112.6438       9.904156      108.6765       7.870899      105.7886 4.681109 104.0262 3.783135 1.762390       6.018712 
1 1 1 22 18 11 o 97.96436 3.286279 96.70367       6.442660      98.54564       9.493254      94.79085       8.713958      98.89250 4.799785 97.03622 4.490054 1.856277       6.572558 
1 1 1 22 18 12 o 54.92611 4.613328 30.82474       5.084558      35.70597       7.743378      25.94350       6.591435      59.30204 6.528762 50.55017 6.519696 8.751869       9.226655 
1 1 1 22 18 13 o 70.46355 4.160652 50.23632       5.864564      49.46410       8.189702      51.00853       8.395153      69.92583 5.855992 71.00127 5.911975 -1.075432      8.321303 
1 1 1 22 18 14 o 61.88377 4.771854 40.03461       5.675407      26.73697       7.892153      53.32516       8.161365      51.15843 7.713443 72.60912 5.620069 -21.45068      9.543708 
1 1 1 22 18 15 o 71.30777 3.896791 51.51862       5.576224      55.08921       8.451830      47.95510       7.275800      73.74483 5.730456 68.87070 5.282217 4.874123       7.793583 
1 1 1 22 18 16 o 119.8844 3.084489 144.8075       7.403321      146.6495       11.30689      142.9656       9.557014      120.5776 4.688637 119.1912 4.009110 1.386391       6.168977 
1 1 1 22 18 17 o 157.4456 3.030365 250.0126       9.528677      245.6202       14.22571      254.3342       12.68837      155.9872 4.559896 158.9039 3.992468 -2.916641      6.060730 
1 1 1 22 18 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 18 19 f 131.0417 3.147271 173.6415       8.260548      177.1129       12.52543      170.0993       10.76847      132.2726 4.734701 129.8108 4.147756 2.461868       6.294543 
1 1 1 22 18 20 o 57.36205 5.492332 34.21114       6.370398      39.26240       10.10961      29.15988       7.757547      61.50895 8.217998 53.21515 7.288853 8.293800       10.98466 
1 1 1 22 18 21 o 23.01790 6.283110 1.178864       4.792676      9.826226       7.410406      -7.467082      6.082059      30.83506 10.26272 15.20074 7.251656 15.63432       12.56622 
1 1 1 22 18 22 o 42.04366 7.027118 19.69496       5.864564      15.50801       8.111773      23.88191       8.473083      37.36130 10.45057 46.72601 9.397190 -9.364708      14.05424 
1 1 1 22 18 23 f 36.11813 6.765433 14.37449       5.091643      11.10852       7.644195      17.64045       6.726042      32.10623 10.42313 40.13002 8.628014 -8.023785      13.53087 
1 1 1 22 18 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 18 25 o 46.85077 6.436772 25.07919       6.159988      33.10595       10.91016      17.05952       5.726415      54.03360 10.46935 39.66793 7.491382 14.36568       12.87354 
1 1 1 22 18 26 o 61.06708 5.047172 39.94251       6.403696      47.66463       11.27147      32.22039       6.082059      66.32243 8.497478 55.81173 5.448728 10.51070       10.09434 
1 1 1 22 18 27 o 95.26195 4.100820 95.42845       7.474166      83.88069       12.92925      106.9762       7.509589      88.11653 7.336447 102.4074 3.666528 -14.29082      8.201639 
1 1 1 22 18 28 o 24.91757 7.226164 3.528798       6.359772      1.631564       11.40607      5.426032       5.623690      26.03088 11.42475 23.80427 8.851267 2.226612       14.45233 
1 1 1 22 18 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 18 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 18 31 o 21.18838 6.135966 3.743459       4.174198      4.055178       6.587893      3.431740       5.127066      22.11093 9.146566 20.26583 8.181726 1.845093       12.27193 
1 1 1 22 18 32 o 26.12031 6.196343 8.409323       4.079265      5.985001       6.394486      10.83223       5.065430      23.08234 9.210299 29.15827 8.291507 -6.075930      12.39269 
1 1 1 22 18 33 o 30.38490 6.364199 12.83006       4.468914      8.267632       6.541844      17.39249       6.089851      24.56578 9.439236 36.20403 8.538909 -11.63825      12.72840 
1 1 1 22 19 0  o 66.17979 5.197059 44.77415       6.795470      44.77415       6.795470      44.77415       6.795470      66.17979 5.197059 66.17979 5.197059 0.000000       0.000000 
1 1 1 22 19 1  o 62.72512 3.754784 39.68038       4.711204      40.39592       6.731709      38.95776       6.591435      63.29280 5.317911 62.15745 5.302209 1.135349       7.509567 
1 1 1 22 19 2  o 52.01304 4.316075 27.36749       4.488042      28.43017       6.376774      26.29773       6.317265      53.03529 6.011822 50.99079 6.194515 2.044502       8.632151 
1 1 1 22 19 3  f 43.61091 5.127748 19.69496       4.344935      17.01701       6.098353      22.37291       6.191161      40.22559 7.860555 46.99623 6.586869 -6.770645      10.25550 
1 1 1 22 19 4  o 24.37343 6.116056 4.730333       3.936158      1.868896       5.902820      7.594603       5.207829      21.40318 8.726390 27.34368 8.571738 -5.940496      12.23211 
1 1 1 22 19 5  o 105.3740 2.870662 111.5812       6.051595      112.0771       9.642029      111.0852       7.318307      105.5399 4.567956 105.2081 3.478014 0.3317337      5.741324 
1 1 1 22 19 6  o 18.82590 5.741868 -2.340016      4.298177      -6.876941      6.886151      2.196909       5.145485      17.04619 7.991460 20.60560 8.246986 -3.559402      11.48374 
1 1 1 22 19 7  o 71.70671 3.523233 51.80199       5.066138      52.87175       8.104689      50.73223       6.078516      72.37865 5.598812 71.03477 4.278550 1.343880       7.046466 
1 1 1 22 19 8  o 83.78740 3.416030 70.84518       5.627941      63.83151       8.940661      77.92970       6.835852      79.50361 5.622802 88.07119 3.880867 -8.567581      6.832059 
1 1 1 22 19 9  o 139.1916 2.756486 194.8242       7.651280      189.6525       11.77447      199.9251       9.776634      137.2800 4.288488 141.1033 3.464353 -3.823349      5.512973 
1 1 1 22 19 10 o 70.32208 3.798965 50.04504       5.384942      54.08321       8.558097      46.01394       6.543260      73.09386 5.854184 67.55029 4.843251 5.543571       7.597930 
1 1 1 22 19 11 o 28.89990 7.288756 7.374983       5.582600      7.297054       9.670367      7.452912       5.577641      30.46194 11.54250 27.33785 8.903626 3.124096       14.57751 
1 1 1 22 19 12 o 76.28873 3.641574 58.85109       5.601728      63.75357       8.883986      53.94861       6.825224      79.40827 5.593867 73.16919 4.664001 6.239082       7.283149 
1 1 1 22 19 13 o 147.5778 3.395444 219.8326       10.05293      212.3230       12.69546      227.3422       15.58594      145.1694 4.372634 149.9862 5.195790 -4.816803      6.790889 
1 1 1 22 19 14 o 17.26392 5.680275 -6.582934      4.793385      -0.9408240     7.630026      -12.22788      5.805054      21.63913 9.421527 12.88871 6.347987 8.750413       11.36055 
1 1 1 22 19 15 o 54.74834 5.082486 30.65471       5.480583      28.01927       8.692703      33.29723       6.680700      52.19273 8.327504 57.30396 5.829179 -5.111229      10.16497 
1 1 1 22 19 16 o 26.63779 7.868124 1.375813       7.630026      -1.922029      13.62353      4.673656       6.869856      28.15355 12.41575 25.12203 9.668440 3.031513       15.73625 
1 1 1 22 19 17 o 52.40094 10.19961 0.000000       0.000000      ?              ?             29.93209       10.30797      ?        ?        52.40094 10.19961 ?              ?        
1 1 1 22 19 18 o 69.93625 4.481269 50.04504       6.231542      46.21939       9.174451      53.87067       8.437660      67.13811 6.832521 72.73440 5.800324 -5.596291      8.962539 
1 1 1 22 19 19 o 82.50304 4.046884 70.44136       6.563097      52.79383       8.997337      88.06055       9.557014      71.86137 6.260204 93.14471 5.130197 -21.28334      8.093768 
1 1 1 22 19 20 o 71.80693 4.152234 52.77257       5.984292      56.35733       9.054014      49.18072       7.821308      74.18916 6.101979 69.42471 5.632942 4.764450       8.304468 
1 1 1 22 19 21 o 80.19805 3.901642 65.70890       6.262005      66.53071       9.330310      64.88709       8.352647      80.61488 5.786965 79.78122 5.234720 0.8336639      7.803285 
1 1 1 22 19 22 o 94.33369 3.789427 91.17775       7.148279      84.02238       9.812057      98.33311       10.40007      90.60429 5.414786 98.06310 5.302745 -7.458809      7.578853 
1 1 1 22 19 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 19 24 o 23.94679 6.736896 3.854686       4.881941      2.555386       7.169532      5.153986       6.630400      23.05876 9.540417 24.83482 9.514383 -1.776064      13.47379 
1 1 1 22 19 25 o 24.01592 6.538245 4.175615       4.671531      8.388069       6.817431      -0.3813596E-01 6.388110      28.19753 9.826110 19.83432 8.627987 8.363201       13.07649 
1 1 1 22 19 26 o 27.90650 6.577525 7.955913       4.814638      15.01918       7.325392      0.9004422      6.249253      35.66606 9.916378 20.14694 8.644119 15.51911       13.15505 
1 1 1 22 19 27 o 74.62746 5.144310 59.89960       7.438744      54.83417       12.60336      64.97211       7.913406      70.06614 8.993900 79.18877 4.996546 -9.122627      10.28862 
1 1 1 22 19 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 19 29 o 39.40569 7.950537 21.04810       6.813890      26.44650       11.74613      15.64970       6.910948      43.26698 12.73197 35.54440 9.525807 7.722580       15.90107 
1 1 1 22 19 30 o 20.25042 6.554433 -0.4325098E-01 5.885109      6.070724       10.25130      -6.157155      5.788051      25.95355 11.10118 14.54729 6.971814 11.40626       13.10887 
1 1 1 22 19 31 o 22.56671 6.917129 4.896110       5.822057      8.841478       10.06001      0.9542845      5.861022      26.61901 11.17364 18.51441 8.156983 8.104599       13.83426 
1 1 1 22 19 32 o 27.03961 6.317601 9.741212       4.279757      5.718623       6.252795      13.76522       5.846144      22.22214 9.009037 31.85708 8.859208 -9.634937      12.63520 
1 1 1 22 19 33 o 36.27773 6.258393 18.65354       4.512129      20.50968       6.617648      16.80448       6.135192      38.22041 8.828505 34.33506 8.872849 3.885349       12.51679 
1 1 1 22 20 0  o 239.2180 3.732082 573.8459       17.84590      573.8459       17.84590      573.8459       17.84590      239.2180 3.732082 239.2180 3.732082 0.000000       0.000000 
1 1 1 22 20 1  o 56.18389 4.210114 32.15663       4.684991      38.00135       6.733834      26.31898       6.514922      61.37262 5.486025 50.99516 6.387785 10.37746       8.420229 
1 1 1 22 20 2  o 103.4774 3.084876 107.6847       6.386693      106.8345       8.388069      108.5348       9.634944      103.1071 4.067649 103.8478 4.638973 -0.7407303     6.169752 
1 1 1 22 20 3  o 106.2086 2.805556 113.3523       5.957372      108.7474       8.402238      118.0281       8.444746      104.0254 4.038552 108.3919 3.895468 -4.366539      5.611111 
1 1 1 22 20 4  o 163.6456 2.543880 268.9283       8.324308      271.7621       11.81698      266.0237       11.73196      164.5199 3.591353 162.7713 3.603817 1.748520       5.087761 
1 1 1 22 20 5  o 65.41201 3.745596 43.19431       4.901069      44.49786       7.051221      41.89075       6.808930      66.39781 5.309829 64.42621 5.284286 1.971603       7.491192 
1 1 1 22 20 6  o 63.36097 3.822584 40.55886       4.844393      39.74414       6.757213      41.38067       6.944245      62.72413 5.386454 63.99780 5.425377 -1.273674      7.645169 
1 1 1 22 20 7  o 39.62504 5.843475 16.59194       4.558887      10.34340       7.190785      22.84757       5.603145      31.74680 10.08973 47.50328 5.897641 -15.75648      11.68695 
1 1 1 22 20 8  o 71.78410 3.809801 52.05703       5.444452      50.49136       8.657280      53.62271       6.602063      70.59895 6.131310 72.96926 4.523866 -2.370316      7.619601 
1 1 1 22 20 9  o 131.3778 2.807755 173.5707       7.332476      167.4072       11.72488      179.7342       8.820225      128.9361 4.546777 133.8195 3.295567 -4.883408      5.615509 
1 1 1 22 20 10 f 56.55304 4.467022 33.36808       5.146902      44.30657       8.458915      22.42958       5.862438      66.07541 6.400955 47.03066 6.232571 19.04475       8.934045 
1 1 1 22 20 11 o 62.47207 4.204429 39.80082       5.341018      45.74473       8.713958      33.85691       6.180533      67.08092 6.495108 57.86321 5.340641 9.217712       8.408857 
1 1 1 22 20 12 o 101.2361 3.301693 103.3631       6.681408      103.0797       10.49217      103.6465       8.274716      100.9954 5.194379 101.4768 4.077147 -0.4813614     6.603386 
1 1 1 22 20 13 o 50.66772 5.494160 26.36149       5.613772      28.91900       8.841478      23.80398       6.916615      53.04118 8.334542 48.29427 7.160906 4.746902       10.98832 
1 1 1 22 20 14 o 82.54994 4.034948 69.22282       6.699120      72.82884       10.64095      65.61681       8.140111      84.56972 6.291227 80.53017 5.054075 4.039543       8.069896 
1 1 1 22 20 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 20 16 o 83.18982 3.946697 70.44845       6.584351      72.97054       10.24421      67.90510       8.281801      84.55925 6.057417 81.82039 5.060965 2.738861       7.893394 
1 1 1 22 20 17 o 79.37096 3.928163 64.17865       6.282550      69.49203       9.918325      58.85817       7.715039      82.55354 6.007207 76.18837 5.063135 6.365173       7.856327 
1 1 1 22 20 18 o 73.22195 3.965947 55.08213       5.903528      65.05004       9.564099      45.10712       6.926533      79.81169 5.991666 66.63223 5.197585 13.17947       7.931894 
1 1 1 22 20 19 o 82.90991 3.662053 70.10839       5.966581      63.26474       9.486169      76.93786       7.240376      78.60011 6.034451 87.21972 4.150654 -8.619606      7.324106 
1 1 1 22 20 20 f 75.46846 3.816195 58.19931       5.797969      61.26691       9.358648      55.13172       6.843644      77.25732 6.056804 73.67960 4.644193 3.577721       7.632391 
1 1 1 22 20 21 o 23.79752 6.309328 1.715870       4.869897      -5.387067      7.764632      8.820225       5.880858      18.84953 8.717452 28.74551 9.123404 -9.895981      12.61866 
1 1 1 22 20 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 20 23 o 49.63681 5.776773 26.87866       5.414697      20.80014       8.012589      32.96426       7.289969      43.00039 9.567081 56.27324 6.477297 -13.27285      11.55355 
1 1 1 22 20 24 o 25.75772 6.844963 6.117482       4.837308      6.088435       7.559181      6.145820       6.036717      26.30302 10.13797 25.21242 9.199764 1.090595       13.68993 
1 1 1 22 20 25 o 59.52404 4.551961 37.58337       5.421782      40.87767       7.962997      34.28907       7.360813      62.15393 6.405868 56.89415 6.468867 5.259785       9.103922 
1 1 1 22 20 26 o 45.10124 6.176317 23.15929       5.387067      17.83882       7.885069      28.47268       7.346645      38.72925 10.08264 51.47323 7.136375 -12.74398      12.35263 
1 1 1 22 20 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 20 28 o 18.58246 6.103406 -5.548594      5.696661      0.6895361E-01  7.750463      -11.16520      8.352647      20.74788 9.231379 16.41704 7.986734 4.330847       12.20681 
1 1 1 22 20 29 o 60.45295 6.069390 43.87442       7.438744      50.83142       12.01534      36.91742       8.777717      64.40327 9.328208 56.50263 7.767530 7.900642       12.13878 
1 1 1 22 20 30 o 18.38037 6.188824 -4.838726      6.236501      -3.999210      10.11669      -5.678241      7.289969      20.16762 9.510885 16.59312 7.921440 3.574497       12.37765 
1 1 1 22 20 31 o 21.67199 7.138555 3.949619       7.396237      9.762465       13.43225      -1.863228      6.213122      26.57806 11.97714 16.76591 7.770712 9.812155       14.27711 
1 1 1 22 20 32 f 44.17181 6.658053 28.44434       8.005506      11.96575       14.23280      44.92293       7.346645      26.01848 11.94076 62.32513 5.893806 -36.30666      13.31611 
1 1 1 22 21 0  o 73.43466 5.095161 54.94752       7.410406      54.94752       7.410406      54.94752       7.410406      73.43466 5.095161 73.43466 5.095161 0.000000       0.000000 
1 1 1 22 21 1  o 107.4294 2.826882 116.1861       6.072848      110.0226       8.458915      122.2788       8.713958      104.5864 4.043986 110.2724 3.951104 -5.686089      5.653764 
1 1 1 22 21 2  o 117.7640 2.764899 139.4233       6.512089      135.9519       9.061099      142.9656       9.358648      116.2854 3.896061 119.2426 3.924206 -2.957199      5.529799 
1 1 1 22 21 3  o 44.04722 5.484571 20.40341       4.663030      25.14295       6.707621      15.66387       6.478791      49.74837 6.741549 38.34607 8.652953 11.40230       10.96914 
1 1 1 22 21 4  o 27.59234 6.182827 4.258503       4.952078      14.59411       6.626858      -6.080641      7.360813      36.96614 9.028710 18.21854 8.449367 18.74760       12.36565 
1 1 1 22 21 5  o 154.7524 2.620761 240.7319       8.111773      229.1841       11.34940      252.2797       11.58319      151.0287 3.757365 158.4761 3.654552 -7.447449      5.241521 
1 1 1 22 21 6  o 48.38814 5.303105 24.83123       4.846519      32.61712       6.988877      17.04535       6.716832      56.74382 6.158272 40.03246 8.635241 16.71136       10.60621 
1 1 1 22 21 7  o 96.59505 3.114133 94.01155       6.016881      91.67366       8.373900      96.27859       8.643111      95.41399 4.388194 97.77612 4.419848 -2.362137      6.228266 
1 1 1 22 21 8  o 66.02316 3.852797 44.25698       5.037092      38.77357       7.353730      49.74040       6.882609      61.84588 5.945205 70.20043 4.902113 -8.354549      7.705594 
1 1 1 22 21 9  o 79.52042 3.852492 64.22115       5.990668      56.28649       9.521592      72.12038       7.268716      74.42500 6.396770 84.61584 4.295127 -10.19084      7.704984 
1 1 1 22 21 10 o 31.14315 7.452888 10.12378       5.989960      17.57669       10.52759      2.672988       5.723582      40.42802 12.09167 21.85827 8.716296 18.56974       14.90578 
1 1 1 22 21 11 o 96.32589 3.479624 93.79901       6.755087      98.40395       11.10144      89.12323       7.693786      98.56570 5.631492 94.08607 4.088696 4.479630       6.959249 
1 1 1 22 21 12 o 40.29375 7.277757 17.42792       6.082059      12.92925       9.372816      21.93367       7.750463      35.27437 11.54189 45.31314 8.868357 -10.03877      14.55551 
1 1 1 22 21 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 21 14 f 76.08376 4.531851 59.30450       6.951329      62.66256       11.45567      55.93935       7.877984      77.96883 7.346311 74.19868 5.308709 3.770149       9.063702 
1 1 1 22 21 15 o 104.0890 3.337509 109.7392       6.984626      113.9190       11.35648      105.4885       8.133026      105.9089 5.361440 102.2692 3.976285 3.639709       6.675019 
1 1 1 22 21 16 o 72.26220 4.127775 53.21889       5.960914      53.11971       9.372816      53.31808       7.367898      72.03017 6.506175 72.49423 5.081713 -0.4640656     8.255550 
1 1 1 22 21 17 o 49.37892 5.625771 25.70263       5.358021      24.34240       8.451830      27.06286       6.585060      47.38887 9.247412 51.36898 6.409569 -3.980110      11.25154 
1 1 1 22 21 18 o 27.97483 7.058522 7.530843       5.048427      8.380984       8.062181      6.682826       6.077808      29.60056 10.64824 26.34910 9.268540 3.251457       14.11704 
1 1 1 22 21 19 o 24.01464 6.368515 1.772546       4.936492      -5.392026      7.814223      8.940661       6.030342      18.98226 8.766004 29.04701 9.240622 -10.06475      12.73703 
1 1 1 22 21 20 o 32.14249 7.284678 11.38482       5.341726      13.24096       8.494337      9.535762       6.483042      34.49538 10.96650 29.78960 9.591772 4.705780       14.56936 
1 1 1 22 21 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 21 22 o 25.53151 6.963547 5.535842       5.090226      7.970083       8.048012      3.099477       6.235793      28.67274 10.60311 22.39027 9.029838 6.282478       13.92709 
1 1 1 22 21 23 o 56.32411 4.946216 33.65146       5.596769      37.74631       8.543928      29.55661       7.233293      59.69349 7.156499 52.95473 6.829696 6.738766       9.892432 
1 1 1 22 21 24 o 23.54800 6.462777 2.849393       4.884775      -3.221330      7.197870      8.919409       6.609855      18.72672 8.551289 28.36927 9.692545 -9.642546      12.92555 
1 1 1 22 21 25 o 36.44889 7.183916 15.74180       5.519547      14.41699       8.508506      17.05952       7.037052      34.61750 10.97261 38.28029 9.275578 -3.662792      14.36783 
1 1 1 22 21 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 21 27 o 79.59952 4.317854 68.59938       6.823808      66.83534       10.86057      70.35635       8.260548      77.62219 6.995786 81.57685 5.063046 -3.954659      8.635709 
1 1 1 22 21 28 o 32.42565 6.973078 14.39574       5.241126      21.94784       8.692703      6.846478       5.862438      40.43169 10.61462 24.41961 9.045727 16.01208       13.94616 
1 1 1 22 21 29 o 34.35828 5.955359 14.14778       4.973331      5.266631       7.977167      23.03177       5.943910      23.57628 9.925649 45.14029 6.583819 -21.56401      11.91072 
1 1 1 22 21 30 o 31.98799 7.204385 14.88457       5.204287      15.31673       7.800055      14.44533       6.896070      32.07058 10.52909 31.90541 9.836209 0.1651745      14.40877 
1 1 1 22 21 31 o 33.96131 7.720524 19.02193       6.218790      20.58761       10.32214      17.45625       6.937868      33.35261 12.04358 34.57001 9.663238 -1.217400      15.44105 
1 1 1 22 22 0  o 91.39061 4.519636 84.44745       8.218040      84.44745       8.218040      84.44745       8.218040      91.39061 4.519636 91.39061 4.519636 0.000000       0.000000 
1 1 1 22 22 1  o 53.82231 4.829655 29.65579       5.176658      34.34575       7.559181      24.96584       7.073183      58.14835 6.499909 49.49626 7.145169 8.652092       9.659309 
1 1 1 22 22 2  o 106.3469 3.015661 113.9190       6.411489      109.4558       8.997337      118.3823       9.139028      104.2542 4.315098 108.4396 4.213880 -4.185432      6.031323 
1 1 1 22 22 3  o 120.4649 3.087780 146.2244       7.452912      141.6904       9.769550      150.7585       11.25730      118.6457 4.117110 122.2841 4.602929 -3.638367      6.175561 
1 1 1 22 22 4  o 31.28982 6.983550 10.08835       4.898236      11.06602       6.950621      9.103605       6.902445      32.47616 9.847634 30.10348 9.904744 2.372679       13.96710 
1 1 1 22 22 5  o 58.44205 4.612100 35.19589       5.306304      27.03452       7.325392      43.35725       7.679617      51.48209 7.114505 65.40202 5.871087 -13.91993      9.224199 
1 1 1 22 22 6  o 74.87355 3.734670 56.73990       5.593227      52.88593       7.707955      60.59388       8.104689      72.32047 5.329028 77.42664 5.233786 -5.106171      7.469341 
1 1 1 22 22 7  o 95.20493 3.324144 91.39028       6.329308      90.61098       8.905238      92.24043       8.997337      94.78129 4.697783 95.62857 4.704315 -0.8472824     6.648289 
1 1 1 22 22 8  o 35.22441 6.806274 13.04968       5.285050      6.325766       7.417490      19.76581       7.530843      27.45619 10.17409 42.99263 9.043752 -15.53644      13.61255 
1 1 1 22 22 9  o 103.6015 3.418462 108.8182       7.050512      95.57014       9.875818      122.0662       10.06710      97.21770 5.079228 109.9852 4.576568 -12.76755      6.836925 
1 1 1 22 22 10 o 78.00386 5.694343 63.08055       8.444746      53.44560       14.54451      72.68716       8.579351      71.28836 10.20119 84.71936 5.063395 -13.43100      11.38869 
1 1 1 22 22 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 22 12 o 74.65518 4.961341 57.32792       7.367898      54.11155       11.10852      60.54429       9.677451      72.35957 7.675920 76.95081 6.288076 -4.591240      9.922683 
1 1 1 22 22 13 o 79.92578 4.045805 65.01462       6.445494      64.00153       10.44966      66.03479       7.545012      79.06748 6.608067 80.78408 4.669863 -1.716599      8.091611 
1 1 1 22 22 14 o 38.81947 6.283747 15.68512       5.275132      6.800429       8.494337      24.56202       6.254921      28.62981 10.82681 49.00912 6.381384 -20.37932      12.56749 
1 1 1 22 22 15 o 43.99696 6.376891 21.11895       5.529466      24.71080       9.124859      17.53418       6.253504      47.53308 9.922379 40.46083 8.012822 7.072247       12.75378 
1 1 1 22 22 16 o 33.82196 6.700226 11.92324       5.061180      7.962997       8.140111      15.88349       6.013339      29.28014 10.68306 38.36379 8.089767 -9.083649      13.40045 
1 1 1 22 22 17 o 41.25993 6.457301 18.30639       5.338893      16.39357       8.721042      20.22630       6.159280      38.30392 10.87547 44.21595 6.964999 -5.912029      12.91460 
1 1 1 22 22 18 o 25.10500 6.830353 5.116439       4.871314      6.911656       7.715039      3.320513       5.946744      27.74968 10.35751 22.46032 8.907125 5.289360       13.66071 
1 1 1 22 22 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 22 20 o 33.43396 7.084072 12.59627       5.139110      13.92816       8.012589      11.26438       6.437701      35.04044 10.56282 31.82748 9.442621 3.212961       14.16814 
1 1 1 22 22 21 o 34.83731 7.694039 14.29656       6.120315      19.40449       10.17337      9.188620       6.810347      40.44659 11.83207 29.22802 9.838445 11.21857       15.38808 
1 1 1 22 22 22 o 67.48934 4.663857 48.33767       6.125983      38.01552       8.947746      58.65981       8.366816      59.73346 7.489727 75.24523 5.559698 -15.51178      9.327715 
1 1 1 22 22 23 o 20.04074 6.318755 -1.450909      5.210663      2.262795       7.934660      -5.164613      6.756505      23.08820 9.817555 16.99328 7.957530 6.094919       12.63751 
1 1 1 22 22 24 o 24.59171 7.365975 2.558928       6.383859      5.648486       9.039845      -0.5302762     9.018591      26.66273 10.82305 22.52070 9.994600 4.142029       14.73195 
1 1 1 22 22 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 22 26 o 45.69143 6.635250 25.48301       5.965164      17.07369       9.833311      33.89233       6.753671      35.37102 11.82201 56.01184 6.028788 -20.64082      13.27050 
1 1 1 22 22 27 o 35.38014 7.116745 16.97450       5.416114      22.29498       8.990252      11.65403       6.045219      40.45428 10.87518 30.30601 9.182739 10.14827       14.23349 
1 1 1 22 22 28 o 19.97710 6.054134 1.848351       4.471748      -0.1598267     6.952037      3.856103       5.626524      19.08296 8.607136 20.87123 8.516301 -1.788265      12.10827 
1 1 1 22 22 29 o 25.18776 6.685104 8.444746       4.618397      11.32106       7.261631      5.569848       5.712247      28.20319 10.10970 22.17233 8.749649 6.030851       13.37021 
1 1 1 22 22 30 o 21.13267 6.199827 4.927282       4.331474      7.382068       6.699120      2.471080       5.491210      23.58269 9.421738 18.68265 8.061157 4.900045       12.39965 
1 1 1 22 23 0  f 13.23985 8.962506 -2.589391      6.749420      -2.589391      6.749420      -2.589391      6.749420      13.23985 8.962506 13.23985 8.962506 0.000000       0.000000 
1 1 1 22 23 1  o 41.52946 6.491472 18.56852       5.273715      15.28839       7.254546      21.84865       7.651280      37.70166 9.594475 45.35727 8.746593 -7.655605      12.98294 
1 1 1 22 23 2  o 69.65483 4.236748 49.66247       5.839059      40.13379       8.097604      59.19114       8.416408      62.83373 6.443676 76.47594 5.502650 -13.64221      8.473495 
1 1 1 22 23 3  o 75.02639 3.985114 57.01619       5.977916      58.00095       8.437660      56.03145       8.473083      75.68468 5.574220 74.36810 5.696719 1.316574       7.970228 
1 1 1 22 23 4  o 107.7959 3.255991 117.2488       7.018632      113.7065       9.868733      120.7910       9.982086      106.1583 4.648121 109.4336 4.560798 -3.275253      6.511982 
1 1 1 22 23 5  o 55.10234 5.343353 31.23564       5.876608      35.07545       8.558097      27.38875       8.055097      58.54860 7.308541 51.65609 7.796852 6.892509       10.68671 
1 1 1 22 23 6  o 51.26350 5.841464 27.11953       5.989960      27.06994       8.388069      27.16913       8.551013      51.23089 8.186535 51.29610 8.334953 -0.6521225E-01 11.68293 
1 1 1 22 23 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 23 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 23 9  o 114.2473 4.096279 133.2598       9.422408      143.6740       14.71454      122.8455       11.76030      118.5591 6.205572 109.9355 5.348728 8.623657       8.192558 
1 1 1 22 23 10 o 119.3381 3.304894 144.1699       7.885069      144.0283       11.27147      144.2408       11.03768      119.2784 4.724856 119.3977 4.622234 -0.1192398     6.609789 
1 1 1 22 23 11 o 78.68423 4.552367 63.30725       7.169532      62.88926       9.408240      63.72523       10.81097      78.54102 5.989379 78.82743 6.857368 -0.2864075     9.104733 
1 1 1 22 23 12 o 53.23092 5.381118 29.32990       5.793718      32.09286       9.429493      26.56694       6.737377      55.53966 8.488973 50.92218 6.615366 4.617485       10.76224 
1 1 1 22 23 13 o 53.28295 5.205203 29.93209       5.647069      38.35558       9.209873      21.50859       6.535468      60.88912 7.562824 45.67678 7.154037 15.21234       10.41041 
1 1 1 22 23 14 o 47.14448 5.874913 23.76147       5.514588      27.95551       9.068183      19.57452       6.279008      50.78107 9.273004 43.50789 7.215941 7.273174       11.74983 
1 1 1 22 23 15 o 82.59451 3.650599 69.49203       6.016881      68.67023       9.557014      70.31384       7.311223      81.89609 5.834842 83.29295 4.388861 -1.396858      7.301197 
1 1 1 22 23 16 o 23.12082 6.733381 2.675822       5.064013      4.179866       8.218040      1.171779       5.923365      25.79607 10.38155 20.44557 8.577711 5.350508       13.46676 
1 1 1 22 23 17 o 51.53386 5.922083 28.79148       5.673990      22.85465       9.039845      34.73539       6.859231      45.00786 10.26602 58.05986 5.907033 -13.05200      11.84417 
1 1 1 22 23 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 23 19 o 32.71448 7.032124 11.66820       5.179491      8.961915       7.877984      14.38157       6.730292      29.62984 10.53908 35.79912 9.312935 -6.169285      14.06425 
1 1 1 22 23 20 f 41.17628 7.309419 19.85790       6.135192      23.10970       10.15211      16.60611       6.892527      44.07557 11.42486 38.27698 9.120471 5.798595       14.61884 
1 1 1 22 23 21 o 107.5827 4.150614 121.2869       8.650196      101.0961       13.50309      141.4778       10.81097      97.73358 6.908113 117.4319 4.603082 -19.69834      8.301228 
1 1 1 22 23 22 o 40.08014 6.830937 20.77181       5.999169      33.78607       10.38590      7.750463       6.007671      53.51960 10.07261 26.64067 9.229804 26.87893       13.66187 
1 1 1 22 23 23 o 24.09622 7.323781 2.079306       6.467456      1.426113       10.52051      2.732499       7.523758      25.12649 11.00040 23.06595 9.671727 2.060532       14.64756 
1 1 1 22 23 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 23 25 o 43.03703 6.579022 22.30206       5.614480      19.24864       8.685618      25.35549       7.112856      38.48558 10.82977 47.58849 7.473295 -9.102917      13.15804 
1 1 1 22 23 26 o 34.19141 7.070206 15.29548       5.256004      13.56685       7.991336      17.02410       6.826642      31.72011 10.65740 36.66270 9.293600 -4.942589      14.14041 
1 1 1 22 23 27 o 34.16198 6.413000 15.77722       5.101561      26.45359       7.977167      5.097310       6.362606      45.79284 9.031632 22.53113 9.106914 23.26170       12.82600 
1 1 1 22 23 28 f 23.74208 6.729725 6.862064       4.932241      10.10252       7.729208      3.624439       6.126691      26.87453 10.27929 20.60963 8.688665 6.264898       13.45945 
1 1 1 22 23 29 o 25.76048 6.996352 9.904156       5.150445      12.01534       8.473083      7.785885       5.853229      27.49531 10.70514 24.02565 9.010862 3.469664       13.99270 
1 1 1 22 24 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 24 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 24 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 24 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 24 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 24 5  o 98.12613 3.834050 97.90804       7.523758      98.54564       10.64095      97.27043       10.64095      98.45102 5.404183 97.80123 5.440088 0.6497879      7.668099 
1 1 1 22 24 6  o 99.51118 3.626514 100.6002       7.212039      94.64915       10.11669      106.4803       10.27963      96.55053 5.239066 102.4718 5.015835 -5.921310      7.253027 
1 1 1 22 24 7  o 58.86118 5.277914 35.88308       6.125274      41.29565       8.380984      30.47760       8.933578      63.51137 6.598019 54.21098 8.239639 9.300396       10.55583 
1 1 1 22 24 8  o 118.9223 3.192132 143.0364       7.594603      148.0664       10.89599      138.0064       10.57718      121.0176 4.501821 116.8270 4.526856 4.190536       6.384264 
1 1 1 22 24 9  o 70.77835 4.598222 51.37692       6.539719      55.81183       10.01751      46.93493       8.409323      73.76840 6.789836 67.78831 6.202636 5.980095       9.196444 
1 1 1 22 24 10 o 20.68689 6.478514 -1.868187      5.315514      -2.329389      7.467082      -1.407694      7.566265      20.31444 9.049127 21.05935 9.273503 -0.7449055     12.95703 
1 1 1 22 24 11 o 69.59889 4.700672 49.80416       6.558138      47.86300       8.423491      51.73824       10.06001      68.37675 6.159616 70.82103 7.102421 -2.444275      9.401344 
1 1 1 22 24 12 o 21.42116 6.533978 -0.1272379     5.120689      1.253960       7.346645      -1.508294      7.134109      22.55490 9.511889 20.28742 8.960771 2.267481       13.06796 
1 1 1 22 24 13 o 33.81646 6.561794 12.58210       4.598560      14.16904       7.084518      10.99517       5.861730      35.84665 9.661826 31.78626 8.881310 4.060381       13.12359 
1 1 1 22 24 14 o 24.57209 6.775575 3.279423       5.160363      -0.3870272     8.239295      6.944952       6.215247      22.46511 9.785846 26.67908 9.373947 -4.213963      13.55115 
1 1 1 22 24 15 o 22.54090 6.710391 0.6291052      5.386359      -2.681490      8.465999      3.939700       6.656613      21.26131 9.548542 23.82049 9.430944 -2.559174      13.42078 
1 1 1 22 24 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 24 17 o 22.31201 6.873396 -0.8423492     6.006963      -3.799427      9.889987      2.114729       6.823099      22.34496 10.15289 22.27906 9.267853 0.6589699E-01  13.74679 
1 1 1 22 24 18 o 20.08361 6.490398 -4.811805      6.111105      -8.437660      10.17337      -1.183114      6.774924      20.51083 9.633232 19.65639 8.700684 0.8544407      12.98080 
1 1 1 22 24 19 o 25.82889 7.268577 4.864230       5.870231      3.877357       9.889987      5.851103       6.325766      26.54999 11.10837 25.10778 9.377259 1.442205       14.53715 
1 1 1 22 24 20 o 19.05776 6.245820 -4.019756      5.689576      -4.267005      9.606606      -3.772506      6.101187      21.31795 9.794653 16.79756 7.752795 4.520390       12.49164 
1 1 1 22 24 21 o 27.05293 6.936077 6.175574       5.444452      1.135648       8.749379      11.21479       6.484459      23.11298 10.07597 30.99288 9.534747 -7.879906      13.87215 
1 1 1 22 24 22 o 21.28197 6.481194 -1.454452      5.641402      -7.693786      9.238212      4.787009       6.477375      19.04141 9.023178 23.52254 9.306223 -4.481121      12.96239 
1 1 1 22 24 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 24 24 o 30.87977 8.769672 12.17829       8.317224      15.21046       13.23388      9.146112       10.07418      33.24916 13.25533 28.51038 11.48586 4.738787       17.53934 
1 1 1 22 24 25 o 25.57020 7.174115 7.176617       5.635026      7.516674       9.401155      6.830184       6.218790      26.51811 10.94537 24.62229 9.277418 1.895821       14.34823 
1 1 1 22 24 26 o 19.11858 6.142182 -0.9790804E-01 5.125648      0.5186575      8.380984      -0.7141194     5.905654      20.77474 9.405938 17.46241 7.901515 3.312326       12.28436 
1 1 1 22 24 27 f 29.41131 6.476075 10.51342       5.240418      2.765796       8.267632      18.26389       6.444077      21.44326 9.537774 37.37936 8.762936 -15.93610      12.95215 
1 1 1 22 24 28 o 24.17433 7.053556 7.970083       5.576932      11.42733       8.501422      4.506462       7.219123      26.95352 10.66220 21.39514 9.237328 5.558380       14.10711 
1 1 1 22 25 0  o 86.83533 5.407511 76.86702       9.316141      76.86702       9.316141      76.86702       9.316141      86.83533 5.407511 86.83533 5.407511 0.000000       0.000000 
1 1 1 22 25 1  o 70.27095 4.500096 50.47719       6.318681      52.23415       8.791886      48.72731       9.075267      71.54303 6.144475 68.99886 6.576389 2.544167       9.000192 
1 1 1 22 25 2  o 69.78622 4.526689 50.55512       6.218081      37.95884       8.480167      63.15848       9.096521      60.81159 6.972494 78.76086 5.774772 -17.94928      9.053378 
1 1 1 22 25 3  o 53.41938 5.500170 29.48576       5.870231      30.37841       8.196787      28.59312       8.409323      54.27746 7.550820 52.56131 7.999537 1.716152       11.00034 
1 1 1 22 25 4  o 26.76966 7.230498 5.401237       5.474207      3.151902       7.757547      7.651280       7.729208      24.70049 10.02623 28.83882 10.42090 -4.138332      14.46100 
1 1 1 22 25 5  f 83.13380 3.890750 70.49096       6.462497      77.78800       9.408240      63.16556       8.862731      87.48891 5.376819 78.77869 5.625082 8.710213       7.781499 
1 1 1 22 25 6  o 98.63405 3.527692 99.04156       6.949912      87.21041       9.486169      110.8727       10.15920      92.68516 5.117415 104.5829 4.857006 -11.89778      7.055384 
1 1 1 22 25 7  o 77.69933 3.987045 61.61406       6.190452      57.17914       8.628942      66.04188       8.876901      74.86883 5.762707 80.52982 5.511561 -5.660988      7.974090 
1 1 1 22 25 8  o 76.13006 4.644668 59.54537       7.076016      60.27508       10.57718      58.81566       9.401155      76.48708 6.914361 75.77303 6.203496 0.7140503      9.289335 
1 1 1 22 25 9  o 85.05640 3.749727 73.67899       6.374650      71.34109       9.075267      76.08772       8.954830      83.65066 5.424504 86.46213 5.178470 -2.811470      7.499453 
1 1 1 22 25 10 o 64.25650 4.574349 42.49294       5.880858      42.93926       8.430575      42.03953       8.196787      64.58031 6.527203 63.93268 6.410483 0.6476326      9.148698 
1 1 1 22 25 11 o 68.70908 4.428511 48.72731       6.047344      42.70547       8.572267      54.75624       8.529759      64.31956 6.663810 73.09859 5.834421 -8.779030      8.857021 
1 1 1 22 25 12 o 68.38036 6.891496 52.18456       8.267632      71.27025       10.30797      33.08470       12.92216      83.19321 6.195201 53.56750 12.31220 29.62571       13.78299 
1 1 1 22 25 13 o 22.18341 6.904067 -1.401318      6.031758      -4.334308      8.359732      1.531673       8.699788      20.20499 9.221886 24.16184 10.27723 -3.956854      13.80813 
1 1 1 22 25 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 25 15 o 47.46700 7.310086 25.34132       7.011548      27.02035       12.03660      23.66229       7.197870      47.60404 12.48718 47.32995 7.603927 0.2740860      14.62017 
1 1 1 22 25 16 o 46.89019 6.856949 26.10645       6.580100      37.46293       11.39190      14.74997       6.583642      57.55513 10.26570 36.22525 9.093205 21.32988       13.71390 
1 1 1 22 25 17 o 26.06850 7.128823 6.184076       5.394860      9.521592       8.954830      2.847268       6.019006      30.38073 11.19314 21.75626 8.831424 8.624468       14.25765 
1 1 1 22 25 18 o 45.82140 6.224361 24.34949       5.642818      8.954830       9.025676      39.75123       6.772799      29.73899 11.18236 61.90380 5.470422 -32.16482      12.44872 
1 1 1 22 25 19 o 68.37209 4.472964 49.62704       6.081350      48.52186       9.656199      50.73223       7.396237      67.01883 7.204093 69.72536 5.303836 -2.706528      8.945928 
1 1 1 22 25 20 o 48.90402 6.202627 26.93534       5.968707      29.32990       9.677451      24.54785       6.985334      50.06680 10.01843 47.74124 7.315829 2.325565       12.40525 
1 1 1 22 25 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 25 22 o 28.34493 7.830851 11.99409       7.268716      13.24096       13.04968      10.74721       6.413614      28.74428 12.41502 27.94558 9.547578 0.7986965      15.66170 
1 1 1 22 25 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 25 24 o 48.55683 6.453870 30.82474       6.308055      46.41068       10.35756      15.23880       7.204955      62.89935 8.233444 34.21431 9.940832 28.68504       12.90774 
1 1 1 22 25 25 o 27.95548 7.380161 10.44966       5.768215      9.833311       9.337394      11.06602       6.774216      27.26039 11.02659 28.65058 9.812304 -1.390192      14.76032 
1 1 1 22 25 26 o 23.76667 6.917220 6.526258       5.471373      5.286468       8.664365      7.764632       6.687077      23.08751 10.04579 24.44584 9.511776 -1.358332      13.83444 
1 1 1 22 25 27 o 22.19347 6.414871 5.225540       4.842268      11.38482       7.311223      -0.9316140     6.349853      27.24054 10.09959 17.14639 7.912048 10.09414       12.82974 
1 1 1 22 26 0  o 14.46256 9.691496 -1.850476      7.552096      -1.850476      7.552096      -1.850476      7.552096      14.46256 9.691496 14.46256 9.691496 0.000000       0.000000 
1 1 1 22 26 1  o 39.15398 7.070854 16.89658       5.567723      15.94725       7.991336      17.85299       7.757547      38.01163 10.26886 40.29633 9.723083 -2.284698      14.14171 
1 1 1 22 26 2  o 37.32814 6.983086 15.33090       5.598186      8.345562       7.693786      22.32332       8.133026      29.37970 10.41866 45.27658 9.300837 -15.89688      13.96617 
1 1 1 22 26 3  o 44.17114 6.503978 21.31023       5.682492      27.91300       8.140111      14.70746       7.927575      51.80383 7.856670 36.53846 10.36724 15.26537       13.00796 
1 1 1 22 26 4  o 65.39206 4.620155 43.98777       6.034592      45.65263       8.458915      42.31583       8.614774      66.68459 6.342480 64.09953 6.719842 2.585068       9.240310 
1 1 1 22 26 5  o 32.47130 7.431670 11.05185       5.632192      7.665448       7.842561      14.44533       8.083434      28.74720 10.48625 36.19539 10.53363 -7.448185      14.86334 
1 1 1 22 26 6  o 43.83404 6.909194 21.40233       5.953120      16.14561       8.118857      26.65904       8.706873      38.11813 10.37419 49.54996 9.128205 -11.43183      13.81839 
1 1 1 22 26 7  o 27.11572 7.031033 5.567014       5.399819      -0.3882315     7.474166      11.51943       7.792970      21.48260 9.338617 32.74884 10.51342 -11.26624      14.06207 
1 1 1 22 26 8  o 31.30071 8.348643 -6.973290      11.16520      -29.11737      20.52385      15.16795       8.806056      25.69481 12.50632 36.90660 11.06306 -11.21179      16.69729 
1 1 1 22 26 9  o 27.26608 7.565794 5.318347       6.142985      8.912323       9.082352      1.726497       8.274716      30.59829 11.27263 23.93387 10.09420 6.664419       15.13159 
1 1 1 22 26 10 o 58.72163 7.495058 38.60354       8.317224      47.32458       10.45675      29.88958       12.92925      67.08708 7.793415 50.35617 12.80493 16.73091       14.99012 
1 1 1 22 26 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 26 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 26 13 o 39.70066 7.004827 17.88132       5.574807      20.41050       7.849646      15.35215       7.920490      42.67028 9.448805 36.73105 10.34362 5.939224       14.00965 
1 1 1 22 26 14 o 24.79572 7.066319 4.152236       5.398402      4.163571       7.410406      4.140901       7.849646      24.59061 9.874050 25.00083 10.11111 -0.4102192     14.13264 
1 1 1 22 26 15 o 44.34897 6.614597 22.29498       5.686742      23.81815       7.927575      20.77181       8.154280      46.12924 8.910803 42.56870 9.777993 3.560539       13.22919 
1 1 1 22 26 16 o 65.19547 4.732380 44.84500       6.193285      46.60196       10.18045      43.09512       7.056180      65.91062 7.722923 64.48032 5.471577 1.430305       9.464761 
1 1 1 22 26 17 o 42.54361 6.690440 20.84974       5.729249      16.83282       9.273635      24.87374       6.730292      36.94986 11.40955 48.13736 6.990715 -11.18750      13.38088 
1 1 1 22 26 18 o 19.52807 6.320223 -3.392067      5.641402      -5.065430      9.068183      -1.718704      6.711164      20.17899 9.366130 18.87716 8.488609 1.301828       12.64045 
1 1 1 22 26 19 o 56.80340 6.688565 37.89508       7.080976      32.99260       11.71779      42.79049       7.948828      50.50357 11.80167 63.10323 6.298275 -12.59966      13.37713 
1 1 1 22 26 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 26 21 o 33.89742 8.066146 15.55760       6.590727      20.14128       10.87473      10.97392       7.445828      37.98083 12.43229 29.81401 10.28051 8.166824       16.13229 
1 1 1 22 26 22 o 62.11612 7.499139 49.83250       8.359732      39.63079       14.25405      60.02711       8.742295      50.15436 13.78875 74.07789 5.900745 -23.92353      14.99828 
1 1 1 22 26 23 o 42.93194 6.709311 23.60561       5.637859      26.60945       8.558097      20.60178       7.339560      45.56298 9.682750 40.30090 9.289983 5.262081       13.41862 
1 1 1 22 26 24 o 51.51433 6.087928 33.27598       6.045219      39.82915       8.742295      26.72280       8.352647      57.99601 7.536980 45.03266 9.562709 12.96335       12.17586 
1 1 1 22 26 25 o 16.30225 5.501443 -3.902861      4.889734      -1.857561      7.856731      -5.948161      5.823474      18.41566 8.613198 14.18885 6.846630 4.226801       11.00289 
1 1 1 22 26 26 o 24.81449 6.503890 6.658030       5.328265      -0.7148279E-01 8.671450      13.38974       6.197536      19.41203 9.067379 30.21695 9.326572 -10.80493      13.00778 
1 1 1 22 27 0  o 18.98204 11.47874 4.215996       7.828392      4.215996       7.828392      4.215996       7.828392      18.98204 11.47874 18.98204 11.47874 0.000000       0.000000 
1 1 1 22 27 1  o 123.9216 3.159148 155.8594       7.828392      153.8049       10.95975      157.9139       11.18645      123.1115 4.451148 124.7316 4.484209 -1.620125      6.318295 
1 1 1 22 27 2  o 46.45164 6.575900 23.75439       5.903528      20.65845       8.104689      26.85032       8.579351      43.21231 9.627393 49.69096 8.960085 -6.478657      13.15180 
1 1 1 22 27 3  o 100.7362 3.588672 103.6465       7.226208      111.2269       10.40007      95.99522       10.03168      104.4807 4.977032 96.99180 5.171405 7.488876       7.177344 
1 1 1 22 27 4  o 49.77583 6.504386 26.88575       6.293177      23.66229       9.110690      30.11629       8.685618      46.03386 10.16758 53.51780 8.114702 -7.483940      13.00877 
1 1 1 22 27 5  f 30.99803 7.910739 9.146112       6.455412      5.163905       9.082352      13.13470       9.174451      27.34137 10.95095 34.65468 11.41910 -7.313309      15.82148 
1 1 1 22 27 6  o 31.99781 7.685735 9.975000       6.359772      2.915279       8.855647      17.03827       9.131943      25.33969 10.55082 38.65593 11.17866 -13.31623      15.37147 
1 1 1 22 27 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 27 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 27 9  o 55.25471 13.68356 37.53378       15.06169      37.53378       15.06169      ?              ?             55.25471 13.68356 ?        ?        ?              ?        
1 1 1 22 27 10 o 66.83136 4.819934 47.29624       6.322932      58.65981       9.131943      35.93267       8.749379      75.27161 6.065995 58.39111 7.492047 16.88050       9.639869 
1 1 1 22 27 11 o 29.02506 7.352151 8.062181       5.642110      12.43333       8.083434      3.693868       7.870899      33.33141 10.70827 24.71870 10.07717 8.612709       14.70430 
1 1 1 22 27 12 o 27.28943 7.174041 6.547511       5.481292      2.038924       7.644195      11.05893       7.856731      23.02336 9.705693 31.55550 10.56726 -8.532141      14.34808 
1 1 1 22 27 13 o 75.34863 4.356039 59.89251       6.476666      72.54546       9.358648      47.24665       8.954830      83.67149 5.592495 67.02576 6.680141 16.64573       8.712077 
1 1 1 22 27 14 o 31.78454 7.386348 11.37774       5.540801      8.111773       7.700871      14.65078       7.970083      28.21340 10.38133 35.35567 10.51002 -7.142275      14.77270 
1 1 1 22 27 15 o 36.65293 7.334684 16.20938       5.652028      13.83606       7.800055      18.57561       8.182618      33.98484 10.45777 39.32102 10.28714 -5.336182      14.66937 
1 1 1 22 27 16 o 42.92302 6.884560 22.11078       6.183367      32.46126       9.146112      11.76030       8.317224      54.12741 8.448689 31.71863 10.87236 22.40878       13.76912 
1 1 1 22 27 17 o 68.00689 4.740613 49.74749       6.465331      54.10446       9.705790      45.39051       8.543928      70.89183 6.845492 65.12195 6.559946 5.769882       9.481226 
1 1 1 22 27 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 27 19 o 19.77050 9.011568 0.000000       0.000000      ?              ?             -1.342516      7.927575      ?        ?        19.77050 9.011568 ?              ?        
1 1 1 22 27 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 27 21 o 27.78049 6.508546 7.488335       5.192952      -0.3946076     8.140111      15.36632       6.453995      20.53424 9.284851 35.02674 9.123389 -14.49250      13.01709 
1 1 1 22 27 22 f 25.31744 6.881087 7.885069       5.137692      13.61644       8.281801      2.152985       6.082767      30.90135 10.82421 19.73353 8.499058 11.16782       13.76217 
1 1 1 22 27 23 o 56.61634 5.076477 37.68963       5.665489      36.27982       8.997337      39.09945       6.887568      54.08690 8.317484 59.14577 5.822536 -5.058876      10.15295 
1 1 1 22 27 24 o 27.20124 7.093621 10.89599       5.188701      10.73304       8.097604      11.06602       6.490126      26.71662 10.45226 27.68587 9.593125 -0.9692535     14.18724 
1 1 1 22 27 25 o 27.63579 6.465424 11.47692       4.988917      22.53585       7.977167      0.4205370      5.988543      37.97514 10.26009 17.29643 7.870029 20.67871       12.93085 
1 1 1 22 28 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 28 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 28 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 28 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 28 4  o 31.26884 8.225075 9.443663       7.119940      10.33631       8.026759      8.543928       11.76030      31.04408 10.67698 31.49359 12.51437 -0.4495049     16.45015 
1 1 1 22 28 5  o 35.86766 7.561916 14.59411       5.877316      15.70638       7.785885      13.47475       8.806056      37.14064 10.18197 34.59468 11.18292 2.545956       15.12383 
1 1 1 22 28 6  o 27.71109 7.121139 6.242877       5.557804      12.51126       7.892153      -0.2291842E-01 7.828392      33.46001 10.56383 21.96217 9.552382 11.49785       14.24228 
1 1 1 22 28 7  o 34.12810 7.742412 12.69546       6.209579      9.486169       9.486169      15.89766       8.012589      30.95506 11.49868 37.30114 10.37111 -6.346077      15.48482 
1 1 1 22 28 8  o 24.11808 6.850811 2.597184       5.408321      8.324308       7.821308      -3.133482      7.474166      28.79305 10.47506 19.44311 8.832194 9.349945       13.70162 
1 1 1 22 28 9  o 47.10458 7.157803 25.57511       6.566639      23.29390       8.600604      27.85633       9.932493      45.12793 9.803592 49.08123 10.43198 -3.953308      14.31561 
1 1 1 22 28 10 o 57.93095 5.324603 36.27982       6.057971      27.23289       8.295970      45.31966       8.827310      50.23934 8.256450 65.62257 6.725818 -15.38324      10.64921 
1 1 1 22 28 11 o 41.48811 7.077291 20.07752       5.864564      15.86932       8.175533      24.29281       8.409323      36.77594 10.55830 46.20027 9.427322 -9.424328      14.15458 
1 1 1 22 28 12 o 61.40966 5.005341 40.43843       6.138735      43.20139       8.756464      37.68255       8.607689      63.61898 6.881958 59.20034 7.269966 4.418640       10.01068 
1 1 1 22 28 13 o 22.87219 7.020040 -2.781382      6.670074      7.047678       8.961915      -12.61044      9.875818      27.52824 10.92894 18.21615 8.813742 9.312090       14.04008 
1 1 1 22 28 14 o 31.64438 7.252203 7.545012       6.840810      21.91241       9.188620      -6.818140      10.13795      42.57471 10.77613 20.71405 9.708386 21.86066       14.50441 
1 1 1 22 28 15 o 20.37693 6.730540 -5.666906      6.900320      -3.358770      8.784801      -7.977167      10.64803      20.32509 9.350175 20.42877 9.683743 -0.1036854     13.46108 
1 1 1 22 28 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 28 17 o 25.54492 7.706059 6.662281       7.006588      5.823474       8.572267      7.502505       11.08727      24.48021 10.29690 26.60963 11.46766 -2.129421      15.41212 
1 1 1 22 28 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 28 19 o 47.04289 6.253519 27.20455       5.743419      31.50485       9.231127      22.91133       6.833726      50.17553 9.542985 43.91026 8.084394 6.265266       12.50704 
1 1 1 22 28 20 o 53.64858 6.500217 38.14305       7.332476      54.80583       13.01426      21.48026       6.763589      65.35480 9.956621 41.94237 8.359244 23.41243       13.00043 
1 1 1 22 28 21 o 20.54061 6.364833 2.129606       5.086684      7.084518       8.147196      -2.827431      6.094102      24.74339 10.19725 16.33783 7.619745 8.405558       12.72967 
1 1 1 22 28 22 o 19.96959 6.324865 2.026172       5.217039      5.872357       8.444746      -1.819304      6.132358      23.27326 10.01876 16.66592 7.722707 6.607344       12.64973 
1 1 1 22 28 23 f 30.69626 6.978595 14.11944       5.143360      12.14995       8.097604      16.08894       6.344185      27.60079 10.53178 33.79174 9.158865 -6.190950      13.95719 
1 1 1 22 29 0  o 106.8575 5.949221 117.4613       12.63170      117.4613       12.63170      117.4613       12.63170      106.8575 5.949221 106.8575 5.949221 0.000000       0.000000 
1 1 1 22 29 1  o 24.60696 7.368024 0.8763548      6.594978      -5.863147      8.905238      7.615856       9.727042      19.96445 9.272339 29.24946 11.45316 -9.285011      14.73605 
1 1 1 22 29 2  o 22.37516 6.978588 -2.930157      6.463914      4.637525       9.323226      -10.49926      8.954830      26.64007 10.93175 18.11024 8.677533 8.529829       13.95718 
1 1 1 22 29 3  o 20.58283 6.697319 -4.872732      6.388110      -5.837643      9.096521      -3.907111      8.969000      20.19800 9.377185 20.96765 9.564764 -0.7696533     13.39464 
1 1 1 22 29 4  f 54.93499 6.409768 34.00569       6.864190      24.78873       8.777717      43.22264       10.55593      46.62073 9.731717 63.24925 8.344708 -16.62852      12.81954 
1 1 1 22 29 5  o 45.44987 7.344582 23.93150       6.566639      24.27864       8.295970      23.57727       10.18754      46.39197 9.269023 44.50777 11.39547 1.884201       14.68916 
1 1 1 22 29 6  o 21.08667 6.704375 -3.154736      6.100478      0.5879441      7.736294      -6.896778      9.436578      22.04532 9.540811 20.12802 9.421651 1.917301       13.40875 
1 1 1 22 29 7  o 19.34540 6.443197 -9.528677      6.634651      -16.11728      9.606606      -2.937950      9.153197      17.08906 8.364899 21.60174 9.802428 -4.512674      12.88639 
1 1 1 22 29 8  o 29.68684 7.381619 9.068183       5.734209      4.454036       8.288886      13.67312       7.920490      25.28003 10.32949 34.09366 10.54774 -8.813633      14.76324 
1 1 1 22 29 9  o 30.26969 8.436553 7.672533       8.175533      12.02243       9.181536      3.322639       13.53143      32.13549 11.38295 28.40388 12.45513 3.731607       16.87311 
1 1 1 22 29 10 o 43.73692 7.885279 23.59144       6.994544      26.12770       9.259464      21.05519       10.48509      46.79794 10.17717 40.67590 12.04723 6.122036       15.77056 
1 1 1 22 29 11 o 20.03599 6.741125 -10.75430      7.488335      -17.32873      10.33631      -4.177740      10.83931      17.48202 8.592292 22.58995 10.38959 -5.107931      13.48225 
1 1 1 22 29 12 o 40.18890 8.650196 20.73638       7.644195      16.43608       9.762465      25.03669       11.76030      36.38640 11.77578 43.99140 12.67417 -7.605000      17.30039 
1 1 1 22 29 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 29 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 29 15 o 35.61489 7.564581 16.72655       6.255630      9.301972       8.621859      24.15112       9.068183      28.04725 10.82364 43.18252 10.57074 -15.13527      15.12916 
1 1 1 22 29 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 29 17 o 24.41185 6.604203 3.733541       5.362980      -6.167781      7.431659      13.63770       7.736294      16.84591 8.031598 31.97779 10.48596 -15.13188      13.20841 
1 1 1 22 29 18 o 22.66534 6.481661 2.595767       5.190826      10.33631       7.289969      -5.147611      7.389152      28.21369 10.12782 17.11698 8.091658 11.09671       12.96332 
1 1 1 22 29 19 o 31.81073 7.308049 14.21863       5.415406      16.64153       7.559181      11.80281       7.750463      34.56244 10.22752 29.05902 10.44166 5.503424       14.61610 
1 1 1 22 29 20 o 30.85882 7.208803 13.76522       5.447286      12.47583       8.735210      15.06169       6.507129      28.64355 10.93597 33.07409 9.395316 -4.430536      14.41761 
1 1 1 22 29 21 o 22.14940 6.611312 5.533009       5.122107      10.61969       8.281801      0.4428532      6.034592      26.51546 10.51262 17.78335 8.020140 8.732107       13.22262 
1 1 1 22 29 22 o 15.81125 5.377232 -3.962371      4.834475      -0.1511836     7.722124      -7.771716      5.817806      18.44965 8.594090 13.17285 6.465300 5.276797       10.75446 
1 1 1 22 30 0  o 22.39061 12.64516 8.055097       8.558097      8.055097       8.558097      8.055097       8.558097      22.39061 12.64516 22.39061 12.64516 0.000000       0.000000 
1 1 1 22 30 1  o 36.36870 6.897761 14.95542       6.145111      2.167154       8.494337      27.75006       8.883986      23.65457 10.11110 49.08283 9.385204 -25.42826      13.79552 
1 1 1 22 30 2  o 26.40006 7.201057 4.666572       5.984292      12.44750       8.586436      -3.112937      8.338477      32.52945 11.04711 20.27068 9.240254 12.25877       14.40211 
1 1 1 22 30 3  o 32.04222 7.146954 10.91016       5.925491      1.586932       8.324308      20.22630       8.437660      23.01081 9.926869 41.07363 10.28460 -18.06282      14.29391 
1 1 1 22 30 4  o 42.10820 7.722133 21.69988       6.622607      19.19196       9.804973      24.20780       8.905238      39.13513 11.66207 45.08126 10.12529 -5.946136      15.44427 
1 1 1 22 30 5  o 34.95491 8.209242 14.65787       7.190785      6.626858       9.719957      22.69171       10.59135      27.66245 11.22510 42.24736 11.98181 -14.58491      16.41848 
1 1 1 22 30 6  o 25.05349 8.123749 -4.734583      9.705790      -10.62678      15.99684      1.157610       11.00226      24.84685 11.82118 25.26013 11.14634 -0.4132824     16.24750 
1 1 1 22 30 7  o 31.02853 8.652691 6.588602       9.131943      -11.42024      10.57718      24.59744       14.88457      19.53356 9.376723 42.52351 14.54487 -22.98995      17.30538 
1 1 1 22 30 8  o 29.50262 8.832915 6.206746       9.181536      -1.799468      10.87473      14.21154       14.79956      23.75259 10.73634 35.25266 14.02899 -11.50007      17.66583 
1 1 1 22 30 9  o 45.57383 8.948779 27.99093       9.372816      33.45309       10.30797      22.53585       15.64970      52.30405 10.21837 38.84361 14.69379 13.46044       17.89756 
1 1 1 22 30 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 30 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 30 12 o 21.04950 6.873944 -3.636483      7.155363      2.869230       9.301972      -10.14503      10.86765      23.09400 10.21215 19.00500 9.204150 4.089001       13.74789 
1 1 1 22 30 13 f 22.48544 7.043690 0.3131357E-01  6.493669      -7.006588      8.458915      7.069641       9.854564      18.01387 8.582532 26.95701 11.17114 -8.943142      14.08738 
1 1 1 22 30 14 o 37.80235 9.706446 22.59961       10.92433      37.83841       15.09002      7.353730       15.80556      47.28906 14.54450 28.31565 12.85760 18.97342       19.41289 
1 1 1 22 30 15 o 14.92486 5.184445 -13.24096      5.437367      -8.012589      7.559181      -18.46934      7.821308      16.29708 7.848301 13.55265 6.776288 2.744431       10.36889 
1 1 1 22 30 16 o 17.92356 5.906971 -3.216371      5.198619      -3.910654      7.339560      -2.521380      7.367898      17.55662 8.234269 18.29049 8.471485 -0.7338715     11.81394 
1 1 1 22 30 17 o 23.35450 6.738717 5.628649       5.057637      7.785885       7.021466      3.468580       7.282885      25.09365 9.750216 21.61534 9.304541 3.478310       13.47743 
1 1 1 22 30 18 o 46.04709 6.071240 27.02743       5.464997      29.01818       7.700871      25.03669       7.757547      48.64976 7.914604 43.44442 9.208631 5.205338       12.14248 
1 1 1 22 30 19 o 23.96167 6.814624 7.530843       5.004504      7.346645       7.169532      7.715039       6.986751      23.80416 9.648323 24.11919 9.626331 -0.3150349     13.62925 
1 1 1 22 30 20 o 20.94331 6.392886 4.464664       4.930116      2.498001       6.806805      6.432034       7.134109      19.44352 8.651090 22.44311 9.414597 -2.999584      12.78577 
1 1 1 22 31 0  o 49.19770 14.94428 33.52394       12.80881      33.52394       12.80881      33.52394       12.80881      49.19770 14.94428 49.19770 14.94428 0.000000       0.000000 
1 1 1 22 31 1  o 21.96072 7.185985 -5.313388      7.707955      -0.7098687     9.429493      -9.918325      12.19245      22.48388 10.08791 21.43756 10.23658 1.046324       14.37197 
1 1 1 22 31 2  o 40.39931 8.546451 22.34457       8.125941      9.727042       10.15211      34.96918       12.69546      29.59189 11.66862 51.20674 12.49042 -21.61485      17.09290 
1 1 1 22 31 3  o 24.77840 7.753200 1.177447       7.998421      7.594603       10.63386      -5.239001      11.95158      27.46407 11.50627 22.09273 10.39492 5.371334       15.50640 
1 1 1 22 31 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 31 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 31 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 31 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 31 8  o 22.63751 7.302537 -0.8225125     7.750463      -10.97392      10.81806      9.330310       11.10852      18.32699 8.949026 26.94802 11.54223 -8.621033      14.60507 
1 1 1 22 31 9  o 31.47282 7.700181 11.67529       6.476666      5.566306       9.769550      17.78922       8.501422      25.97569 10.96235 36.96994 10.81656 -10.99425      15.40036 
1 1 1 22 31 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 31 11 o 32.08047 13.26777 15.64970       13.85732      15.64970       13.85732      ?              ?             32.08047 13.26777 ?        ?        ?              ?        
1 1 1 22 31 12 o 31.82302 7.718601 13.19137       6.468873      5.265922       8.855647      21.11186       9.429493      24.65916 10.42336 38.98688 11.38687 -14.32772      15.43720 
1 1 1 22 31 13 o 24.90199 6.916358 2.998876       6.125274      13.11344       7.849646      -7.119940      9.408240      31.13835 10.56251 18.66563 8.931817 12.47272       13.83272 
1 1 1 22 31 14 o 31.52530 7.697822 14.20446       5.981458      15.58594       7.948828      12.82298       8.940661      33.16356 10.61517 29.88703 11.15097 3.276537       15.39564 
1 1 1 22 31 15 o 26.97468 7.400772 9.918325       5.725707      8.140111       7.587519      11.69654       8.572267      25.39766 10.06457 28.55170 10.85312 -3.154037      14.80154 
1 1 1 22 31 16 o 24.04835 6.801869 4.671531       5.847561      12.33415       7.332476      -2.993917      9.110690      28.96793 10.18131 19.12876 9.022334 9.839172       13.60374 
1 1 1 22 31 17 f 23.68414 7.035205 7.155363       5.668323      5.959496       7.148279      8.345562       8.798972      22.60992 9.450864 24.75836 10.42390 -2.148438      14.07041 
1 1 1 22 31 18 o 17.11558 5.769839 -3.133482      5.409738      -6.344894      6.829475      0.7750463E-01  8.395153      15.02763 7.282799 19.20352 8.951259 -4.175895      11.53968 
1 1 1 22 32 0  f 84.85381 7.243973 77.57547       12.12161      77.57547       12.12161      77.57547       12.12161      84.85381 7.243973 84.85381 7.243973 0.000000       0.000000 
1 1 1 22 32 1  o 29.34150 8.441605 9.975000       7.807138      13.29056       12.32706      6.666531       9.578268      32.06978 12.79062 26.61323 11.02011 5.456553       16.88321 
1 1 1 22 32 2  o 20.75504 6.864871 -5.916989      7.268716      -11.00226      10.80389      -0.8324308     9.727042      19.27227 9.305963 22.23780 10.09479 -2.965532      13.72974 
1 1 1 22 32 3  o 37.67593 8.471580 19.85790       7.339560      26.26939       11.70362      13.43933       8.855647      43.15159 12.71239 32.20026 11.20115 10.95134       16.94316 
1 1 1 22 32 4  o 55.63348 11.60748 54.74915       15.50093      49.37909       25.63179      60.11922       17.44208      47.03615 18.54289 64.23081 13.96767 -17.19466      23.21497 
1 1 1 22 32 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 32 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 22 32 7  o 45.72477 6.767552 27.20455       6.205329      16.22355       8.699788      38.18555       8.855647      34.07081 11.11978 57.37873 7.716837 -23.30792      13.53510 
1 1 1 22 32 8  o 31.92499 6.645191 11.71779       5.760421      24.80998       8.430575      -1.369437      7.849646      44.15880 9.803873 19.69118 8.973200 24.46761       13.29038 
1 1 1 22 32 9  o 24.08120 6.623734 2.731790       5.527341      13.02134       7.722124      -7.559181      7.913406      31.27319 10.47635 16.88920 8.108116 14.38398       13.24747 
1 1 1 22 32 10 f 32.28293 7.462393 14.39574       5.569848      13.35432       8.012589      15.43008       7.736294      31.06387 10.66913 33.50199 10.43643 -2.438120      14.92479 
1 1 1 22 32 11 f 23.35217 6.830198 4.882650       5.426032      9.386987       7.778800      0.3813596      7.566265      26.79048 10.29333 19.91385 8.980749 6.876633       13.66040 
1 1 1 22 32 12 o 24.87051 7.255383 7.339560       5.857479      8.636027       8.919409      6.044511       7.594603      26.07017 10.69421 23.67084 9.807963 2.399324       14.51077 
1 1 1 22 32 13 o 20.15953 6.465040 0.9231127      5.667614      3.200785       8.515590      -1.354560      7.481250      21.83020 9.697037 18.48886 8.553038 3.341337       12.93008 
1 1 1 22 32 14 o 46.06678 6.834103 29.64871       6.142985      35.75556       9.344479      23.54894       7.977167      51.33777 9.455417 40.79578 9.869902 10.54199       13.66821 
1 1 1 22 32 15 o 19.36795 6.308124 0.3498335      5.695244      -0.1747042     8.692703      0.8742295      7.360813      19.60004 9.125403 19.13587 8.711873 0.4641666      12.61625 
1 1 1 22 32 16 o 24.67279 7.108099 9.500339       5.599603      9.365732       8.650196      9.634944       7.112856      24.42531 10.31200 24.92027 9.785857 -0.4949627     14.21620 
1 1 1 22 33 0  o 56.72589 8.281621 36.10270       9.046929      36.10270       9.046929      36.10270       9.046929      56.72589 8.281621 56.72589 8.281621 0.000000       0.000000 
1 1 1 22 33 1  o 33.58630 7.534826 15.29548       5.700912      13.75813       7.934660      16.82573       8.189702      31.96368 10.61954 35.20893 10.69205 -3.245258      15.06965 
1 1 1 22 33 2  o 18.36040 6.071187 -3.781715      5.539385      -3.497626      7.778800      -4.066513      7.892153      18.43195 8.601209 18.28886 8.570675 0.1430969      12.14237 
1 1 1 22 33 3  o 26.57096 7.163126 7.545012       5.752628      13.77230       8.076350      1.324805       8.196787      31.73549 10.71395 21.40644 9.510669 10.32905       14.32625 
1 1 1 22 33 4  o 42.90797 6.473440 24.35657       6.241460      40.96268       8.657280      7.750463       8.990252      59.71206 7.249189 26.10389 10.72711 33.60817       12.94688 
1 1 1 22 33 5  o 21.17504 6.909987 -5.180908      7.438744      5.473498       9.889987      -15.83390      11.11561      24.74338 10.74901 17.60670 8.686226 7.136688       13.81997 
1 1 1 22 33 6  o 21.39842 6.868434 0.7254547      6.406529      4.992460       9.882903      -3.542259      8.154280      24.29689 10.64934 18.49995 8.677163 5.796942       13.73687 
1 1 1 22 33 7  o 34.68663 8.139891 18.04427       7.226208      26.02143       10.01042      10.07418       10.42841      41.87809 11.57379 27.49517 11.44896 14.38292       16.27978 
1 1 1 22 33 8  o 20.12372 6.532569 -1.305677      6.109688      5.625815       9.386987      -8.239295      7.821308      24.13491 10.47819 16.11252 7.804187 8.022390       13.06514 
1 1 1 22 33 9  o 34.72247 7.423667 17.48459       6.269798      11.74613       9.804973      23.21597       7.814223      28.03481 11.31601 41.41013 9.612039 -13.37532      14.84733 
1 1 1 22 33 10 o 24.98229 7.297988 7.941744       6.085601      6.306637       9.408240      9.571183       7.722124      23.91401 10.43661 26.05058 10.20391 -2.136568      14.59598 
1 1 1 22 33 11 o 27.81412 7.472874 11.84531       6.160697      20.45300       9.698705      3.232665       7.594603      34.68660 11.74084 20.94164 9.248143 13.74496       14.94575 
1 1 1 22 33 12 o 19.86285 6.249777 0.7169532      5.347394      -5.220581      7.821308      6.654488       7.289969      16.71382 8.032868 23.01188 9.576631 -6.298065      12.49955 
1 1 1 22 33 13 f 39.65945 7.014377 23.66229       5.571973      26.20563       8.040927      21.12603       7.715039      42.30162 9.705136 37.01728 10.12997 5.284344       14.02875 
1 1 1 22 34 0  o 12.76671 8.878999 -3.419697      7.658363      -3.419697      7.658363      -3.419697      7.658363      12.76671 8.878999 12.76671 8.878999 0.000000       0.000000 
1 1 1 22 34 1  o 19.30525 6.218630 -0.4259212     5.388484      3.100185       7.729208      -3.952453      7.509589      21.31410 9.379324 17.29639 8.167846 4.017710       12.43726 
1 1 1 22 34 2  o 18.98171 6.210400 -1.358811      5.614480      1.195158       8.062181      -3.913488      7.814223      20.35405 9.219869 17.60937 8.322878 2.744684       12.42080 
1 1 1 22 34 3  f 26.04510 6.968337 8.232210       5.589684      0.2968413      7.700871      16.16687       8.104689      19.51166 8.890417 32.57854 10.73272 -13.06687      13.93667 
1 1 1 22 34 4  o 26.29393 7.188541 9.599521       5.545053      5.765380       7.679617      13.43933       7.998421      22.92511 9.699291 29.66276 10.61246 -6.737658      14.37708 
1 1 1 22 34 5  o 22.46067 6.605450 1.901484       5.795844      -8.458915      8.515590      12.26330       7.863815      16.49591 8.034109 28.42543 10.48718 -11.92951      13.21090 
1 1 1 22 34 6  o 31.17616 7.456256 15.05460       5.581892      17.44208       7.977167      12.67420       7.814223      33.63322 10.62078 28.71909 10.46814 4.914131       14.91251 
1 1 1 22 34 7  o 23.95978 7.145391 7.424574       5.927616      3.331141       7.594603      11.51943       9.103605      20.89865 9.236198 27.02091 10.90500 -6.122261      14.29078 
1 1 1 22 34 8  o 23.15549 6.998715 6.534050       5.804345      7.842561       7.821308      5.222707       8.572267      23.96756 9.943462 22.34342 9.851680 1.624138       13.99743 
1 1 1 22 34 9  o 18.29799 6.061505 -0.9224042     5.561347      -1.104476      7.545012      -0.7403321     8.175533      17.96159 8.410622 18.63438 8.730912 -0.6727982     12.12301 
1 1 1 22 34 10 o 25.99806 7.446925 11.79572       6.052303      13.72979       8.628942      9.868733       8.487252      27.48510 10.78220 24.51103 10.27477 2.974072       14.89385 
1 1 1 22 35 0  o 19.04590 11.32357 7.311223       7.382068      7.311223       7.382068      7.311223       7.382068      19.04590 11.32357 19.04590 11.32357 0.000000       0.000000 
1 1 1 22 35 1  o 23.67605 6.989816 8.154280       5.536551      8.969000       7.750463      7.339560       7.906322      24.30253 9.968931 23.04957 9.800535 1.252960       13.97963 
1 1 1 22 35 2  o 23.64147 6.743887 7.374983       5.291427      12.44750       7.275800      2.300343       7.679617      27.60570 10.09726 19.67725 8.942336 7.928450       13.48777 
1 1 1 22 35 3  o 14.61186 5.080789 -8.954830      5.182325      -6.467456      7.311223      -11.44858      7.346645      15.36200 7.473087 13.86173 6.885538 1.500267       10.16158 
1 1 1 22 35 4  f 17.93242 5.983902 -2.699201      5.825599      -8.423491      8.699788      3.025798       7.750463      15.98337 7.864427 19.88146 9.021037 -3.898089      11.96780 
1 1 1 23 0  1  o 161.2345 3.111283 260.3560       10.02459      260.3560       10.02459      260.3560       10.02459      161.2345 3.111283 161.2345 3.111283 0.000000       0.000000 
1 1 1 23 0  2  o 454.8875 5.109791 2072.221       46.47443      2072.221       46.47443      2072.221       46.47443      454.8875 5.109791 454.8875 5.109791 0.000000       0.000000 
1 1 1 23 0  3  o 140.9095 3.135715 198.9332       8.827310      198.9332       8.827310      198.9332       8.827310      140.9095 3.135715 140.9095 3.135715 0.000000       0.000000 
1 1 1 23 0  4  f 298.6034 3.796271 892.6493       22.66337      892.6493       22.66337      892.6493       22.66337      298.6034 3.796271 298.6034 3.796271 0.000000       0.000000 
1 1 1 23 0  5  o 378.8940 5.118771 1438.157       38.77357      1438.157       38.77357      1438.157       38.77357      378.8940 5.118771 378.8940 5.118771 0.000000       0.000000 
1 1 1 23 0  6  f 389.8229 5.238867 1522.463       40.82808      1522.463       40.82808      1522.463       40.82808      389.8229 5.238867 389.8229 5.238867 0.000000       0.000000 
1 1 1 23 0  7  o 31.86076 10.22683 12.88674       5.729958      12.88674       5.729958      12.88674       5.729958      31.86076 10.22683 31.86076 10.22683 0.000000       0.000000 
1 1 1 23 0  8  o 281.0844 4.217535 791.3406       23.69771      791.3406       23.69771      791.3406       23.69771      281.0844 4.217535 281.0844 4.217535 0.000000       0.000000 
1 1 1 23 0  9  o 141.8652 3.535514 201.7671       10.01751      201.7671       10.01751      201.7671       10.01751      141.8652 3.535514 141.8652 3.535514 0.000000       0.000000 
1 1 1 23 0  10 o 58.56322 5.244428 35.16755       6.049470      35.16755       6.049470      35.16755       6.049470      58.56322 5.244428 58.56322 5.244428 0.000000       0.000000 
1 1 1 23 0  11 o 67.48108 4.670910 46.24773       6.242877      46.24773       6.242877      46.24773       6.242877      67.48108 4.670910 67.48108 4.670910 0.000000       0.000000 
1 1 1 23 0  12 o 193.9553 3.617110 376.8964       14.02026      376.8964       14.02026      376.8964       14.02026      193.9553 3.617110 193.9553 3.617110 0.000000       0.000000 
1 1 1 23 0  13 o 244.2995 3.950568 597.9333       19.29114      597.9333       19.29114      597.9333       19.29114      244.2995 3.950568 244.2995 3.950568 0.000000       0.000000 
1 1 1 23 0  14 o 61.09020 4.980868 38.12888       6.006963      38.12888       6.006963      38.12888       6.006963      61.09020 4.980868 61.09020 4.980868 0.000000       0.000000 
1 1 1 23 0  15 o 13.58505 8.988038 -0.8855647     6.101187      -0.8855647     6.101187      -0.8855647     6.101187      13.58505 8.988038 13.58505 8.988038 0.000000       0.000000 
1 1 1 23 0  16 o 44.15219 6.870375 20.60178       5.731375      20.60178       5.731375      20.60178       5.731375      44.15219 6.870375 44.15219 6.870375 0.000000       0.000000 
1 1 1 23 0  17 o 11.36100 7.971700 -5.824182      6.480917      -5.824182      6.480917      -5.824182      6.480917      11.36100 7.971700 11.36100 7.971700 0.000000       0.000000 
1 1 1 23 0  18 o 114.3177 3.820650 131.3470       8.713958      131.3470       8.713958      131.3470       8.713958      114.3177 3.820650 114.3177 3.820650 0.000000       0.000000 
1 1 1 23 0  19 o 23.86897 10.32173 8.225125       5.041343      8.225125       5.041343      8.225125       5.041343      23.86897 10.32173 23.86897 10.32173 0.000000       0.000000 
1 1 1 23 0  20 o 50.98893 6.087101 27.23289       6.059388      27.23289       6.059388      27.23289       6.059388      50.98893 6.087101 50.98893 6.087101 0.000000       0.000000 
1 1 1 23 0  21 o 164.9493 3.691341 273.0373       12.16412      273.0373       12.16412      273.0373       12.16412      164.9493 3.691341 164.9493 3.691341 0.000000       0.000000 
1 1 1 23 0  22 o 59.63620 5.362331 36.59862       6.298136      36.59862       6.298136      36.59862       6.298136      59.63620 5.362331 59.63620 5.362331 0.000000       0.000000 
1 1 1 23 0  23 o 192.0687 3.782172 370.2369       14.51618      370.2369       14.51618      370.2369       14.51618      192.0687 3.782172 192.0687 3.782172 0.000000       0.000000 
1 1 1 23 0  24 o 151.8554 3.756004 231.6637       11.39190      231.6637       11.39190      231.6637       11.39190      151.8554 3.756004 151.8554 3.756004 0.000000       0.000000 
1 1 1 23 0  25 o 19.35313 10.73938 5.389901       6.031050      5.389901       6.031050      5.389901       6.031050      19.35313 10.73938 19.35313 10.73938 0.000000       0.000000 
1 1 1 23 0  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 0  27 o 45.77242 7.846370 22.79089       6.608438      22.79089       6.608438      22.79089       6.608438      45.77242 7.846370 45.77242 7.846370 0.000000       0.000000 
1 1 1 23 0  28 o 22.00817 11.01814 7.431659       5.875190      7.431659       5.875190      7.431659       5.875190      22.00817 11.01814 22.00817 11.01814 0.000000       0.000000 
1 1 1 23 0  29 o 31.73569 10.44647 13.17720       5.863855      13.17720       5.863855      13.17720       5.863855      31.73569 10.44647 31.73569 10.44647 0.000000       0.000000 
1 1 1 23 0  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 0  31 o 42.38814 8.182925 20.24755       6.207455      20.24755       6.207455      20.24755       6.207455      42.38814 8.182925 42.38814 8.182925 0.000000       0.000000 
1 1 1 23 0  32 o 60.53509 5.697900 38.27765       6.784843      38.27765       6.784843      38.27765       6.784843      60.53509 5.697900 60.53509 5.697900 0.000000       0.000000 
1 1 1 23 0  33 o 13.95782 9.039171 0.7417490      5.771049      0.7417490      5.771049      0.7417490      5.771049      13.95782 9.039171 13.95782 9.039171 0.000000       0.000000 
1 1 1 23 0  34 o 17.68649 12.28933 -3.958120      14.38157      -3.958120      14.38157      -3.958120      14.38157      17.68649 12.28933 17.68649 12.28933 0.000000       0.000000 
1 1 1 23 0  35 o 16.78065 10.04694 3.990001       5.878733      3.990001       5.878733      3.990001       5.878733      16.78065 10.04694 16.78065 10.04694 0.000000       0.000000 
1 1 1 23 0  36 o 46.29631 8.597534 25.04377       7.183701      25.04377       7.183701      25.04377       7.183701      46.29631 8.597534 46.29631 8.597534 0.000000       0.000000 
1 1 1 23 0  37 o 13.70917 9.071701 0.5963747      6.218790      0.5963747      6.218790      0.5963747      6.218790      13.70917 9.071701 13.70917 9.071701 0.000000       0.000000 
1 1 1 23 0  38 o 13.50143 8.971651 0.7665448      6.166365      0.7665448      6.166365      0.7665448      6.166365      13.50143 8.971651 13.50143 8.971651 0.000000       0.000000 
1 1 1 23 1  0  o 214.0239 3.278774 458.5808       14.02734      458.5808       14.02734      458.5808       14.02734      214.0239 3.278774 214.0239 3.278774 0.000000       0.000000 
1 1 1 23 1  1  o 205.2394 2.288127 421.6705       9.394071      433.5016       13.53851      409.8394       13.02843      208.1184 3.252599 202.3605 3.219114 5.757919       4.576253 
1 1 1 23 1  2  o 288.9474 2.629909 835.9731       15.20337      855.1013       21.86282      816.8449       21.12603      292.2517 3.740409 285.6431 3.697977 6.608612       5.259819 
1 1 1 23 1  3  o 98.52087 2.404561 97.19958       4.738125      98.33311       6.742336      95.99522       6.658739      99.11350 3.401321 97.92823 3.399806 1.185272       4.809123 
1 1 1 23 1  4  o 122.1728 2.459975 149.6250       6.037426      139.7067       7.686701      159.4725       9.316141      118.1410 3.253190 126.2046 3.690888 -8.063614      4.919949 
1 1 1 23 1  5  o 120.3667 2.589081 145.0909       6.231542      141.1944       8.770633      148.9874       8.855647      118.7489 3.692932 121.9846 3.629822 -3.235710      5.178162 
1 1 1 23 1  6  o 72.88101 3.349560 53.26849       4.874856      56.18731       6.842936      50.35676       6.944952      74.88222 4.569133 70.87981 4.899105 4.002403       6.699120 
1 1 1 23 1  7  o 56.93163 3.890347 32.59587       4.411529      36.01769       6.244294      29.18113       6.233667      59.93357 5.209346 53.92968 5.779440 6.003891       7.780695 
1 1 1 23 1  8  o 130.1546 2.552871 169.6742       6.648112      164.2191       9.266549      175.1293       9.528677      128.0615 3.618009 132.2478 3.602584 -4.186356      5.105742 
1 1 1 23 1  9  o 231.5330 2.720078 537.0065       12.59627      549.6169       18.12928      524.3961       17.49876      234.2497 3.869648 228.8163 3.823756 5.433380       5.440155 
1 1 1 23 1  10 o 139.6500 2.504517 195.4619       6.995961      205.3093       10.05293      185.5435       9.727042      143.1852 3.510465 136.1149 3.573101 7.070297       5.009033 
1 1 1 23 1  11 o 65.22121 3.417591 42.65588       4.457579      42.74090       6.294595      42.57795       6.314431      65.28396 4.820935 65.15846 4.845442 0.1254959      6.835183 
1 1 1 23 1  12 o 153.5503 2.516133 236.1978       7.729208      241.8654       11.07310      230.5302       10.78264      155.3924 3.562948 151.7081 3.553745 3.684357       5.032266 
1 1 1 23 1  13 o 200.4298 2.618663 402.5423       10.49926      396.6621       14.65078      408.3516       15.04043      198.9768 3.681531 201.8828 3.725039 -2.906082      5.237327 
1 1 1 23 1  14 f 214.0757 2.658909 459.2893       11.38482      462.1231       16.13144      456.4555       16.06769      214.7367 3.756099 213.4148 3.764426 1.321884       5.317818 
1 1 1 23 1  15 o 107.8886 3.017183 116.8237       6.502879      115.2651       9.932493      118.3115       8.395153      107.1531 4.634721 108.6241 3.864315 -1.470985      6.034366 
1 1 1 23 1  16 o 74.36145 3.130024 55.54262       4.652403      57.42001       6.551762      53.65814       6.607021      75.62746 4.331603 73.09544 4.519448 2.532013       6.260048 
1 1 1 23 1  17 o 28.39889 6.812358 7.509589       4.691368      5.217039       6.650945      9.804973       6.618357      25.77520 9.617496 31.02258 9.650734 -5.247385      13.62472 
1 1 1 23 1  18 o 118.9697 2.640116 142.0446       6.282550      143.6032       9.018591      140.4151       8.749379      119.6337 3.769252 118.3058 3.697783 1.327965       5.280232 
1 1 1 23 1  19 o 123.1722 2.924253 152.4588       7.183701      158.1973       9.429493      146.7204       10.83223      125.5402 3.755569 120.8042 4.483383 4.735977       5.848505 
1 1 1 23 1  20 o 90.26202 2.757638 82.18040       4.923739      92.16957       6.660155      72.12038       7.254546      95.83219 3.474905 84.69185 4.282907 11.14034       5.515275 
1 1 1 23 1  21 o 226.6448 2.608495 515.7529       11.83114      519.0117       17.85299      512.4940       15.52218      227.3003 3.927181 225.9893 3.434273 1.310944       5.216989 
1 1 1 23 1  22 o 97.48268 2.709037 95.57014       5.287884      96.84536       8.012589      94.22409       6.898195      98.11665 4.083196 96.84872 3.561325 1.267929       5.418074 
1 1 1 23 1  23 o 98.86253 2.708024 98.33311       5.331100      91.95705       7.835476      104.7092       7.233293      95.61805 4.097279 102.1070 3.542015 -6.488968      5.416047 
1 1 1 23 1  24 o 118.4486 2.598927 141.0527       6.152195      139.3525       9.139028      142.7530       8.239295      117.6983 3.882395 119.1989 3.456112 -1.500542      5.197855 
1 1 1 23 1  25 o 48.36885 4.620712 23.90316       4.468206      26.63779       6.572307      21.16854       6.056554      51.15947 6.423354 45.57824 6.644129 5.581223       9.241425 
1 1 1 23 1  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 1  27 o 37.40736 5.838752 15.04752       4.410112      20.43883       6.367565      9.649114       6.103312      44.59374 7.139527 30.22097 9.240738 14.37276       11.67750 
1 1 1 23 1  28 o 97.02718 3.006189 95.21592       5.835517      95.99522       8.366816      94.43663       8.133026      97.41312 4.294501 96.64124 4.207845 0.7718887      6.012379 
1 1 1 23 1  29 o 34.14225 6.201143 12.75213       4.267005      11.90199       6.109688      13.60936       5.958079      32.98333 9.009586 35.30116 8.523147 -2.317829      12.40229 
1 1 1 23 1  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 1  31 o 40.29859 5.642720 17.74672       4.385316      16.89658       6.273340      18.59686       6.128108      39.19545 8.261080 41.40173 7.688675 -2.206280      11.28544 
1 1 1 23 1  32 o 24.24055 6.226471 4.665863       4.256378      9.457831       5.997045      -0.1252543     6.041677      29.21592 9.206240 19.26518 8.385756 9.950741       12.45294 
1 1 1 23 1  33 o 34.80755 6.768939 14.30364       4.906737      14.12653       7.594603      14.47367       6.215247      34.30605 10.27200 35.30904 8.818171 -1.002991      13.53788 
1 1 1 23 1  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 1  35 o 38.81769 6.350590 18.27806       4.856437      20.73638       7.204955      15.81973       6.512089      41.55027 8.926877 36.08511 9.034978 5.465160       12.70118 
1 1 1 23 1  36 o 17.32615 5.545523 -1.116520      4.127440      -0.6599937     6.343478      -1.573471      5.282925      18.35705 8.253872 16.29525 7.408434 2.061802       11.09105 
1 1 1 23 1  37 o 63.53848 3.647957 44.07987       4.605645      38.32724       6.469582      49.83958       6.556013      59.04546 5.478476 68.03149 4.818367 -8.986038      7.295913 
1 1 1 23 1  38 o 16.60467 5.276574 -0.5676116     3.792342      2.661653       5.297802      -3.797301      5.428866      18.69011 7.986961 14.51922 6.897635 4.170890       10.55315 
1 1 1 23 2  0  o 160.6179 3.103370 258.3723       9.960832      258.3723       9.960832      258.3723       9.960832      160.6179 3.103370 160.6179 3.103370 0.000000       0.000000 
1 1 1 23 2  1  o 180.5515 2.208570 326.3129       7.977167      331.8388       11.36357      320.7161       11.19354      182.0905 3.120308 179.0125 3.126469 3.077988       4.417140 
1 1 1 23 2  2  f 130.4055 2.234175 170.4535       5.825599      182.5680       8.416408      158.2681       8.055097      135.0616 3.115766 125.7495 3.202836 9.312149       4.468350 
1 1 1 23 2  3  o 55.76978 3.752074 31.58987       4.197577      24.44159       5.319765      38.73814       6.495085      49.37486 5.387120 62.16470 5.224095 -12.78984      7.504148 
1 1 1 23 2  4  o 98.81326 2.632093 97.83719       5.183033      103.1506       6.959831      92.52380       7.679617      101.5080 3.428217 96.11850 3.994869 5.389511       5.264186 
1 1 1 23 2  5  o 100.7343 2.806043 101.5920       5.654153      101.0252       7.991336      102.2296       7.998421      100.4354 3.978345 101.0331 3.958318 -0.5976639     5.612086 
1 1 1 23 2  6  o 424.5509 3.955794 1807.969       33.58770      1801.593       47.33166      1814.345       47.67172      423.8046 5.584137 425.2971 5.604519 -1.492493      7.911588 
1 1 1 23 2  7  o 141.9770 2.536021 201.8379       7.204955      200.4919       10.10961      203.1840       10.25838      141.5043 3.572191 142.4497 3.600704 -0.9453888     5.072042 
1 1 1 23 2  8  o 180.8918 2.544263 327.6590       9.209873      320.9995       12.84423      334.3892       13.19137      179.0446 3.586881 182.7391 3.609346 -3.694519      5.088526 
1 1 1 23 2  9  o 281.7250 2.987305 794.8829       16.83282      795.5914       23.78273      794.8829       23.82524      281.7884 4.219963 281.6617 4.229407 0.1267395      5.974610 
1 1 1 23 2  10 o 116.4464 2.600855 135.8102       6.057971      135.7394       8.430575      135.8811       8.699788      116.4188 3.620797 116.4739 3.734651 -0.5510712E-01 5.201710 
1 1 1 23 2  11 o 71.00710 3.595819 51.22106       5.174532      39.85041       6.211705      62.59172       8.274716      63.03286 4.927355 78.98135 5.238399 -15.94850      7.191638 
1 1 1 23 2  12 o 115.7844 2.942037 134.3933       6.792635      138.4315       8.650196      130.3551       10.47092      117.5528 3.679281 114.0160 4.591864 3.536850       5.884074 
1 1 1 23 2  13 o 138.8508 2.860358 193.3365       7.913406      200.3502       10.09544      186.2520       12.18537      141.4186 3.569345 136.2830 4.470612 5.135620       5.720716 
1 1 1 23 2  14 o 55.21141 5.579565 30.96643       6.380316      26.28356       5.968707      35.65638       11.27855      51.13057 5.836730 59.29226 9.510982 -8.161697      11.15913 
1 1 1 23 2  15 o 27.03374 6.279496 7.112856       3.924114      7.389152       5.558513      6.844352       5.540093      27.39880 8.887490 26.66869 8.873601 0.7301083      12.55899 
1 1 1 23 2  16 o 15.28009 5.009604 -5.128483      3.739208      -2.336474      5.094476      -7.920490      5.473498      16.53166 7.416174 14.02852 6.736832 2.503141       10.01921 
1 1 1 23 2  17 o 65.70650 3.538555 43.43518       4.648860      42.03244       6.560972      44.83791       6.587184      64.63984 5.075022 66.77316 4.932509 -2.133324      7.077111 
1 1 1 23 2  18 o 77.30142 3.173912 60.10505       4.903903      64.03696       7.038468      56.17315       6.830184      79.83910 4.407908 74.76373 4.567845 5.075371       6.347824 
1 1 1 23 2  19 o 43.84185 4.962063 19.48242       4.350603      18.72438       6.072140      20.24755       6.232251      42.98093 7.063761 44.70277 6.970766 -1.721840      9.924127 
1 1 1 23 2  20 f 47.59677 5.009243 23.00343       4.782050      24.03068       7.311223      21.98326       6.167073      48.61159 7.520041 46.58195 6.619594 2.029633       10.01849 
1 1 1 23 2  21 o 80.09603 2.970973 64.54704       4.731750      68.39394       6.185493      60.70015       7.162447      82.52783 3.747519 77.66423 4.611163 4.863602       5.941946 
1 1 1 23 2  22 o 44.80099 4.526681 20.73638       3.873815      23.67646       5.056221      17.79631       5.870231      48.42176 5.221021 41.18023 7.396236 7.241528       9.053363 
1 1 1 23 2  23 o 72.63647 3.191072 53.14805       4.641777      54.43035       6.961247      51.85867       6.141568      73.48927 4.736234 71.78366 4.277832 1.705612       6.382143 
1 1 1 23 2  24 o 31.41197 6.051369 10.49926       3.910654      11.29981       5.773882      9.698705       5.275132      32.56145 8.698185 30.26250 8.415333 2.298954       12.10274 
1 1 1 23 2  25 o 104.9932 2.880463 111.0852       6.036717      106.5511       8.841478      115.6193       8.218040      102.8061 4.300076 107.1803 3.833748 -4.374199      5.760927 
1 1 1 23 2  26 o 38.26073 10.25184 0.000000       0.000000      ?              ?             16.06769       8.005506      ?        ?        38.26073 10.25184 ?              ?        
1 1 1 23 2  27 o 141.5066 2.604121 201.6962       7.360813      199.8542       11.03059      203.6090       9.762465      140.7795 3.917686 142.2337 3.431839 -1.454269      5.208241 
1 1 1 23 2  28 f 69.08475 3.478867 48.59270       4.831641      53.48811       7.403321      43.69022       6.208163      72.53665 5.103159 65.63286 4.729463 6.903793       6.957733 
1 1 1 23 2  29 o 72.05895 3.185171 52.71590       4.587225      50.51970       6.498628      54.91210       6.475249      70.53314 4.606791 73.58476 4.399858 -3.051620      6.370343 
1 1 1 23 2  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 2  31 o 159.8965 2.584906 259.0100       8.274716      262.5522       12.53251      255.3969       10.80389      160.8634 3.895391 158.9296 3.398955 1.933762       5.169813 
1 1 1 23 2  32 o 45.59556 4.686091 21.88408       4.284008      23.40016       6.416448      20.36090       5.676824      47.11929 6.808727 44.07183 6.440423 3.047462       9.372183 
1 1 1 23 2  33 o 75.01321 3.367703 58.31975       5.029299      54.64997       7.403321      61.98244       6.809639      72.45935 5.108603 77.56706 4.389517 -5.107712      6.735405 
1 1 1 23 2  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 2  35 o 24.35125 5.965836 5.462163       4.045968      0.8664365E-01  5.950287      10.83931       5.483417      18.64371 8.215767 30.05880 8.652513 -11.41508      11.93167 
1 1 1 23 2  36 o 50.08561 4.229558 27.41000       4.247169      28.81982       6.429200      26.00018       5.551428      51.15650 6.283855 49.01472 5.663021 2.141777       8.459116 
1 1 1 23 2  37 o 62.79446 3.560272 42.78341       4.458287      41.43026       6.618357      44.13654       5.975791      61.44684 5.385433 64.14207 4.658247 -2.695225      7.120544 
1 1 1 23 2  38 o 65.08043 3.548636 47.02703       4.536926      39.87875       6.642444      54.18239       6.181951      59.34628 5.596344 70.81458 4.364885 -11.46829      7.097273 
1 1 1 23 3  0  f 168.5547 3.601513 284.6559       12.12869      284.6559       12.12869      284.6559       12.12869      168.5547 3.601513 168.5547 3.601513 0.000000       0.000000 
1 1 1 23 3  1  o 191.0034 2.913486 365.4194       11.11561      370.5203       14.22571      360.2477       17.08077      192.3737 3.697417 189.6332 4.503634 2.740433       5.826972 
1 1 1 23 3  2  o 263.9458 3.261806 698.2501       17.25080      684.1519       21.38816      711.9940       27.08411      261.3672 4.091592 266.5244 5.080982 -5.157166      6.523611 
1 1 1 23 3  3  o 120.6862 2.973345 145.8702       7.155363      149.1291       8.997337      142.6822       11.13686      122.0422 3.686160 119.3302 4.666407 2.712013       5.946691 
1 1 1 23 3  4  o 208.8542 2.952558 437.0439       12.29872      449.5127       15.83390      424.5043       18.82356      211.8771 3.736575 205.8314 4.572569 6.045746       5.905115 
1 1 1 23 3  5  o 121.1899 2.959940 147.2871       7.119940      157.2763       9.188620      137.2980       10.88182      125.3282 3.665824 117.0516 4.648302 8.276604       5.919879 
1 1 1 23 3  6  o 218.0172 3.012971 476.2213       13.10636      486.1396       16.76197      466.3029       20.16254      220.3276 3.803874 215.7068 4.673598 4.620804       6.025942 
1 1 1 23 3  7  o 96.85997 3.170973 94.01155       6.144402      93.65733       7.630026      94.36578       9.634944      96.69991 3.945208 97.02002 4.965442 -0.3201065     6.341946 
1 1 1 23 3  8  o 306.9591 3.524611 944.3662       21.64320      942.9493       27.32499      946.4916       33.56644      306.7526 4.453912 307.1656 5.463900 -0.4130249     7.049222 
1 1 1 23 3  9  o 196.4908 2.935073 386.8147       11.51234      392.9782       14.57285      380.7220       17.83173      198.0876 3.678385 194.8941 4.574724 3.193573       5.870146 
1 1 1 23 3  10 o 156.1682 2.862123 244.4867       8.905238      254.1216       11.47692      234.7809       13.61644      159.2898 3.602528 153.0467 4.448460 6.243057       5.724247 
1 1 1 23 3  11 o 98.09536 3.176052 96.84536       6.138735      108.3223       7.955913      85.29759       9.351563      103.9826 3.825598 92.20812 5.070900 11.77448       6.352104 
1 1 1 23 3  12 o 220.7787 3.020530 488.6192       13.34015      486.1396       16.67695      491.0988       20.83557      220.2759 3.785469 221.2815 4.707932 -1.005600      6.041059 
1 1 1 23 3  13 o 300.5359 3.124531 906.1099       18.78106      910.3606       26.61653      901.1507       26.50318      301.3003 4.416945 299.7716 4.420562 1.528656       6.249062 
1 1 1 23 3  14 o 77.75499 3.566684 60.83475       5.594644      55.27341       6.837267      66.40318       8.855647      74.21797 4.606208 81.29200 5.446814 -7.074028      7.133368 
1 1 1 23 3  15 f 181.6856 2.591872 331.1304       9.415324      345.2285       13.58811      316.9613       13.04968      185.5657 3.661265 177.8054 3.669652 7.760315       5.183744 
1 1 1 23 3  16 o 127.9781 3.238710 164.5733       8.295970      169.8867       12.08619      159.2599       11.36357      130.0360 4.647247 125.9201 4.512212 4.115860       6.477419 
1 1 1 23 3  17 o 202.5190 2.672614 411.6105       10.83223      426.7713       15.62845      396.5205       14.99084      206.2392 3.788913 198.7987 3.770357 7.440536       5.345227 
1 1 1 23 3  18 o 118.1633 3.037461 140.3443       7.226208      131.7720       8.855647      148.9874       11.41316      114.5868 3.864166 121.7397 4.687525 -7.152916      6.074921 
1 1 1 23 3  19 o 50.73470 4.239655 26.19146       4.258503      30.66179       6.065056      21.71405       5.980042      55.14025 5.499663 46.32914 6.453866 8.811111       8.479309 
1 1 1 23 3  20 f 282.7736 3.408362 804.8012       19.26989      803.3843       29.49285      806.9266       24.80998      282.2926 5.223807 283.2546 4.379449 -0.9619751     6.816725 
1 1 1 23 3  21 o 95.68860 2.915379 92.02789       5.575515      89.05238       7.842561      95.07423       7.934660      94.11821 4.166336 97.25899 4.079140 -3.140778      5.830758 
1 1 1 23 3  22 o 70.94341 3.466169 50.85267       4.910988      55.20256       7.051930      46.50277       6.836560      73.99977 4.764832 67.88705 5.035246 6.112724       6.932339 
1 1 1 23 3  23 o 76.49370 3.104179 58.92194       4.743084      59.84293       6.210997      58.00095       7.169532      77.13344 4.026138 75.85397 4.725878 1.279472       6.208358 
1 1 1 23 3  24 o 27.76839 6.244555 7.679617       4.052344      4.215288       5.438785      11.15103       6.009089      23.15531 8.685688 32.38148 8.974222 -9.226164      12.48911 
1 1 1 23 3  25 o 120.1285 2.585551 145.2326       6.210997      143.9574       8.784801      146.4370       8.784801      119.6124 3.672195 120.6445 3.640781 -1.032059      5.171103 
1 1 1 23 3  26 o 79.51101 3.271083 64.20699       5.195786      56.66197       7.091603      71.76617       7.594603      74.79512 4.740685 84.22690 4.508419 -9.431778      6.542166 
1 1 1 23 3  27 o 34.04955 5.852021 12.56793       3.996377      15.73471       5.794427      9.394071       5.506087      38.37809 7.820318 29.72101 8.707883 8.657072       11.70404 
1 1 1 23 3  28 o 43.80923 4.999135 20.32548       4.284717      24.81706       6.536176      15.82681       5.541510      49.11710 6.653666 38.50137 7.462850 10.61574       9.998270 
1 1 1 23 3  29 o 22.70519 5.840337 1.211452       4.294635      -6.438409      6.673616      8.862731       5.408321      16.64973 7.816633 28.76064 8.679769 -12.11091      11.68067 
1 1 1 23 3  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 3  31 o 80.15992 3.145911 65.57430       5.062596      69.57705       7.722124      61.57154       6.545386      82.52766 4.678507 77.79218 4.206969 4.735489       6.291821 
1 1 1 23 3  32 o 24.21712 6.260716 5.496169       4.007712      4.693493       6.072848      6.298845       5.231208      23.61932 9.090268 24.81493 8.611232 -1.195606      12.52143 
1 1 1 23 3  33 o 54.49757 4.168771 31.64654       4.433491      24.66121       6.364731      38.63188       6.172740      48.04573 6.623617 60.94942 5.063822 -12.90368      8.337542 
1 1 1 23 3  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 3  35 o 62.73822 4.309696 42.66296       5.334641      47.48044       7.105771      37.83841       7.955913      66.86096 5.313842 58.61547 6.786531 8.245491       8.619391 
1 1 1 23 3  36 o 16.54573 5.220394 -0.5732084     3.522423      0.3452994      4.979708      -1.491999      4.983250      17.24160 7.558142 15.84986 7.203093 1.391739       10.44079 
1 1 1 23 3  37 o 33.46063 5.452207 13.93525       3.603894      16.66279       5.154695      11.21479       5.037800      37.29829 7.165751 29.62298 8.219382 7.675310       10.90441 
1 1 1 23 3  38 o 37.30711 5.257061 17.52710       3.786674      18.59686       5.501836      16.45733       5.204287      38.50298 7.409060 36.11124 7.460068 2.391743       10.51412 
1 1 1 23 4  0  o 190.7013 4.560358 364.6401       17.37124      364.6401       17.37124      364.6401       17.37124      190.7013 4.560358 190.7013 4.560358 0.000000       0.000000 
1 1 1 23 4  1  o 128.9044 3.225600 166.4862       8.317224      164.9984       11.73196      167.9739       11.78864      128.3280 4.571086 129.4809 4.552269 -1.152939      6.451200 
1 1 1 23 4  2  o 181.5128 2.898442 329.9968       10.53468      326.4546       13.17012      333.5391       16.44317      180.5682 3.646854 182.4573 4.506031 -1.889084      5.796884 
1 1 1 23 4  3  o 85.30183 3.499128 72.97054       5.962330      73.60814       7.700871      72.26208       9.110690      85.71286 4.492249 84.89079 5.366124 0.8220673      6.998256 
1 1 1 23 4  4  o 36.81055 6.315783 14.11236       4.709079      18.02301       6.159988      10.20170       7.127024      41.67821 7.677799 31.94290 10.03034 9.735310       12.63157 
1 1 1 23 4  5  o 169.4613 2.878405 287.7731       9.712874      300.1710       12.52543      275.3752       14.84915      173.1426 3.617085 165.7801 4.478568 7.362442       5.756811 
1 1 1 23 4  6  o 120.9604 2.980637 146.5787       7.212039      145.6577       9.089437      147.4997       11.20771      120.6021 3.768356 121.3186 4.619121 -0.7164764     5.961274 
1 1 1 23 4  7  o 187.8550 2.880439 353.5175       10.83223      349.5501       13.53143      357.4847       16.92491      186.8349 3.621226 188.8751 4.480450 -2.040207      5.760878 
1 1 1 23 4  8  o 145.2653 2.848889 211.4020       8.288886      208.5682       10.36465      214.2358       12.93633      144.3179 3.590909 146.2127 4.423805 -1.894791      5.697779 
1 1 1 23 4  9  o 168.6281 2.839128 284.9393       9.557014      290.3235       12.13578      279.4842       14.76414      170.2651 3.563789 166.9911 4.420634 3.273972       5.678257 
1 1 1 23 4  10 o 199.9044 2.933947 400.4878       11.72488      400.9837       14.84915      399.9211       18.15762      200.0787 3.710828 199.7300 4.545541 0.3486481      5.867894 
1 1 1 23 4  11 o 163.6113 2.542040 268.1490       8.317224      263.6857       11.63278      272.6122       11.89491      162.2504 3.584823 164.9723 3.605122 -2.721924      5.084079 
1 1 1 23 4  12 o 111.4407 2.648268 124.6167       5.899278      134.3224       8.551013      114.9109       8.133026      115.7901 3.692464 107.0914 3.797238 8.698723       5.296537 
1 1 1 23 4  13 o 190.5880 2.596909 363.9317       9.897071      362.5856       13.97067      365.3486       14.02734      190.2263 3.672118 190.9496 3.673049 -0.7233124     5.193818 
1 1 1 23 4  14 f 35.61661 5.619975 13.32598       3.902152      13.54560       5.544343      13.10636       5.491918      35.91330 7.931274 35.31992 7.964382 0.5933762      11.23995 
1 1 1 23 4  15 o 26.83330 6.017449 6.715415       3.903569      11.12978       5.662655      2.301760       5.375732      32.53668 8.578810 21.12991 8.440545 11.40677       12.03490 
1 1 1 23 4  16 o 40.11831 7.268747 17.19412       6.172740      20.29006       10.93850      14.09819       5.723582      43.65674 12.11090 36.57988 8.041449 7.076859       14.53749 
1 1 1 23 4  17 o 74.29132 3.294023 55.48595       4.898236      57.39167       7.141194      53.58729       6.704079      75.55961 4.725537 73.02304 4.590386 2.536568       6.588045 
1 1 1 23 4  18 o 94.24921 4.111444 90.18591       8.040927      75.23758       7.601687      105.2051       14.17612      86.53416 4.392305 101.9643 6.951514 -15.43011      8.222888 
1 1 1 23 4  19 o 123.3592 2.530556 152.7422       6.247128      151.1836       8.189702      154.3008       9.436578      122.7597 3.335665 123.9588 3.806336 -1.199150      5.061112 
1 1 1 23 4  20 o 178.2028 2.499074 318.8033       8.926493      309.8059       11.47692      327.8006       13.67312      175.7357 3.265391 180.6699 3.784006 -4.934158      4.998148 
1 1 1 23 4  21 o 190.2855 2.533968 363.5775       9.642029      362.5856       12.69546      364.5693       14.52326      190.0773 3.339551 190.4937 3.812005 -0.4164581     5.067937 
1 1 1 23 4  22 o 40.32340 4.958026 16.79739       3.925531      15.65678       5.305595      17.93800       5.786633      38.63851 7.133762 42.00829 6.887490 -3.369781      9.916052 
1 1 1 23 4  23 f 17.81063 5.553729 -1.387857      3.869564      -2.636149      4.950661      -0.1397775     5.948161      15.96114 7.227700 19.66013 8.434214 -3.698988      11.10746 
1 1 1 23 4  24 o 77.85013 3.076356 61.30233       4.854311      53.67231       5.746252      68.92527       7.821308      73.04045 3.933609 82.65981 4.731022 -9.619354      6.152711 
1 1 1 23 4  25 o 66.37311 3.968709 44.78124       5.216331      47.87717       6.534760      41.68530       8.133026      68.81367 4.748156 63.93254 6.360632 4.881126       7.937419 
1 1 1 23 4  26 o 86.96270 3.297087 76.58364       5.724998      79.98421       7.984251      73.18307       8.210957      88.93269 4.488930 84.99271 4.830389 3.939972       6.594175 
1 1 1 23 4  27 o 83.44849 3.115182 70.42719       5.191535      68.28058       7.608772      72.54546       7.063973      82.13705 4.631754 84.75992 4.167048 -2.622871      6.230364 
1 1 1 23 4  28 o 47.20459 4.563497 22.92550       4.322264      24.45576       6.543969      21.39524       5.647778      48.72952 6.714585 45.67967 6.181938 3.049847       9.126993 
1 1 1 23 4  29 o 79.35342 3.188455 64.00153       5.034966      59.82166       7.452912      68.18848       6.772799      76.65961 4.861043 82.04723 4.127378 -5.387619      6.376911 
1 1 1 23 4  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 4  31 o 93.16554 2.992973 88.41478       5.565597      86.07689       8.359732      90.75267       7.346645      91.80067 4.553197 94.53041 3.885864 -2.729744      5.985945 
1 1 1 23 4  32 f 24.72994 6.100659 6.257046       3.719372      6.911656       5.452953      5.601728       5.061180      25.69103 8.803539 23.76885 8.448069 1.922176       12.20132 
1 1 1 23 4  33 o 32.38863 5.919413 12.07202       3.913488      14.76414       5.666197      9.379901       5.398402      36.08717 8.056746 28.69009 8.674481 7.397083       11.83883 
1 1 1 23 4  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 4  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 4  36 o 87.18702 2.822385 79.62997       4.896110      69.08822       6.822391      90.25676       7.025008      81.17244 4.202406 93.20160 3.768716 -12.02916      5.644771 
1 1 1 23 4  37 o 61.68787 3.414168 41.23189       4.212454      43.14471       6.068598      39.32616       5.844018      63.13885 4.805756 60.23689 4.850864 2.901958       6.828336 
1 1 1 23 4  38 o 16.95807 5.264503 1.275922       3.448035      2.027589       4.936492      0.5238293      4.815347      17.63939 7.627471 16.27674 7.258213 1.362654       10.52901 
1 1 1 23 5  0  o 112.3917 4.857438 127.1671       10.87473      127.1671       10.87473      127.1671       10.87473      112.3917 4.857438 112.3917 4.857438 0.000000       0.000000 
1 1 1 23 5  1  o 236.6057 3.429333 561.1647       16.23063      570.7288       23.20888      551.5297       22.69171      238.6282 4.862979 234.5831 4.836604 4.045151       6.858666 
1 1 1 23 5  2  o 212.2424 3.305526 451.4963       14.03443      439.8777       19.56744      463.1150       20.12003      209.5115 4.669776 214.9732 4.679660 -5.461685      6.611053 
1 1 1 23 5  3  o 274.2975 3.656899 754.5012       20.06335      733.9561       27.76423      775.0463       28.98276      270.5679 5.130732 278.0271 5.212218 -7.459259      7.313797 
1 1 1 23 5  4  o 238.0095 3.124196 567.6824       14.91291      552.8758       18.52601      582.4890       23.37182      234.9519 3.942512 241.0671 4.847577 -6.115189      6.248392 
1 1 1 23 5  5  o 104.2290 3.147733 108.9599       6.522007      114.4858       8.317224      103.3631       10.05293      106.9162 3.889598 101.5418 4.950142 5.374397       6.295465 
1 1 1 23 5  6  o 302.5139 3.508490 918.1536       21.16146      952.1592       27.78548      883.4393       31.92284      308.2459 4.507031 296.7818 5.378166 11.46411       7.016980 
1 1 1 23 5  7  o 99.25116 3.121535 98.75818       6.205329      96.91621       7.877984      100.5293       9.592437      98.36134 4.004614 100.1410 4.789466 -1.779648      6.243070 
1 1 1 23 5  8  o 230.0409 3.078279 530.4179       14.12653      545.3661       18.29222      515.4695       21.52985      233.3293 3.919830 226.7525 4.747435 6.576874       6.156558 
1 1 1 23 5  9  o 145.4439 2.537591 211.8271       7.382068      211.5437       10.39299      212.1813       10.48509      145.3353 3.575521 145.5525 3.601823 -0.2172241     5.075183 
1 1 1 23 5  10 o 188.8437 2.579765 357.2722       9.741212      363.0107       13.89982      351.4629       13.65895      190.3697 3.650744 187.3177 3.645931 3.051987       5.159530 
1 1 1 23 5  11 o 50.43743 4.224909 25.57511       4.262754      24.29990       5.891485      26.85032       6.162114      49.17862 5.989885 51.69625 5.959924 -2.517632      8.449818 
1 1 1 23 5  12 o 33.41730 5.654558 11.44858       3.992126      16.62736       5.503962      6.266964       5.784509      40.64545 6.770699 26.18915 9.058353 14.45630       11.30912 
1 1 1 23 5  13 o 88.27226 2.990699 78.14223       5.279383      77.07955       7.382068      79.20491       7.552096      87.67316 4.209993 88.87138 4.248891 -1.198219      5.981398 
1 1 1 23 5  14 o 60.08699 3.785143 36.52777       4.522048      42.33708       6.543260      30.71138       6.242877      64.91673 5.039734 55.25725 5.648921 9.659473       7.570286 
1 1 1 23 5  15 o 122.0149 2.505675 149.2708       6.116773      147.7830       8.040927      150.7585       9.224042      121.4271 3.311010 122.6027 3.761760 -1.175621      5.011349 
1 1 1 23 5  16 o 105.9121 2.691162 112.5730       5.707288      109.1016       7.722124      116.0444       8.402238      104.2881 3.702305 107.5361 3.906707 -3.247986      5.382325 
1 1 1 23 5  17 o 107.3300 2.653280 115.5485       5.698786      114.2024       7.622942      116.9654       8.473083      106.7052 3.571963 107.9548 3.924366 -1.249573      5.306559 
1 1 1 23 5  18 o 136.2034 3.001659 187.3147       8.055097      213.9524       10.78264      160.6768       11.96575      146.0140 3.692328 126.3928 4.733555 19.62119       6.003318 
1 1 1 23 5  19 o 27.74030 5.579804 7.396237       3.816430      0.1121479      4.943576      14.68620       5.815681      18.21450 7.747329 37.26609 8.032169 -19.05160      11.15961 
1 1 1 23 5  20 o 26.25358 6.204792 6.428492       3.928365      8.189702       5.125648      4.664447       5.955245      28.16064 8.440103 24.34651 9.097386 3.814125       12.40958 
1 1 1 23 5  21 o 95.61988 2.952483 92.02789       5.642818      94.29493       7.899237      89.68999       8.062181      96.82968 4.078934 94.41008 4.269767 2.419601       5.904965 
1 1 1 23 5  22 o 38.19006 5.450398 15.41591       4.055887      20.29006       5.452245      10.53468       6.006254      44.76442 6.089931 31.61569 9.041024 13.14873       10.90080 
1 1 1 23 5  23 o 51.36403 4.418492 26.78656       4.538342      26.99910       6.309471      26.57403       6.524841      51.58410 6.115714 51.14396 6.378897 0.4401321      8.836984 
1 1 1 23 5  24 o 102.4121 2.803056 105.9844       5.676116      119.2324       7.700871      92.66550       8.345562      108.9226 3.535021 95.90162 4.351106 13.02095       5.606112 
1 1 1 23 5  25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 5  26 o 103.1913 2.865630 107.5430       5.947453      101.1669       7.374983      113.9190       9.330310      100.2104 3.679750 106.1723 4.393948 -5.961899      5.731259 
1 1 1 23 5  27 o 39.81103 5.326109 16.89658       4.117522      15.45842       5.081016      18.32765       6.480209      38.24196 6.895152 41.38009 8.119522 -3.138130      10.65222 
1 1 1 23 5  28 o 55.52961 4.308288 32.34791       4.526299      22.41541       6.721791      42.27332       6.062222      46.52469 7.223896 64.53453 4.696883 -18.00984      8.616575 
1 1 1 23 5  29 o 33.15280 5.640161 11.82406       4.041717      5.527341       5.624399      18.12220       5.805762      24.52415 8.886735 41.78145 6.947776 -17.25730      11.28032 
1 1 1 23 5  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 5  31 o 57.53995 3.765901 34.28198       4.312346      29.80457       6.015463      38.75940       6.180533      53.67332 5.603774 61.40657 5.032469 -7.733242      7.531801 
1 1 1 23 5  32 o 54.36980 3.977513 30.79640       4.325806      31.92284       6.215956      29.67705       6.016881      55.36566 5.613548 53.37394 5.636535 1.991726       7.955027 
1 1 1 23 5  33 o 58.74711 3.902444 36.88908       4.430658      25.34840       6.121732      48.42977       6.407238      48.97993 6.249224 68.51428 4.675841 -19.53435      7.804889 
1 1 1 23 5  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 5  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 5  36 o 55.58997 3.939355 34.26781       4.203953      24.47701       5.998462      44.06570       5.891485      46.73867 6.417021 64.44127 4.571205 -17.70259      7.878710 
1 1 1 23 5  37 o 70.15157 3.814199 54.82709       5.430283      61.84076       8.933578      47.81341       6.174158      73.76882 6.055118 66.53432 4.639829 7.234505       7.628398 
1 1 1 23 5  38 o 18.33692 5.620985 2.263504       3.909237      0.9719958      6.069307      3.555720       4.928699      17.76371 8.025502 18.91012 7.872305 -1.146408      11.24197 
1 1 1 23 6  0  o 99.71113 5.068823 100.3168       10.05293      100.3168       10.05293      100.3168       10.05293      99.71113 5.068823 99.71113 5.068823 0.000000       0.000000 
1 1 1 23 6  1  o 188.5405 3.223593 356.2095       12.15703      354.2259       17.13037      358.1932       17.25080      188.0158 4.555565 189.0652 4.562130 -1.049408      6.447186 
1 1 1 23 6  2  o 74.23803 5.973904 0.000000       0.000000      ?              ?             55.30883       8.869816      ?        ?        74.23803 5.973904 ?              ?        
1 1 1 23 6  3  o 178.3368 3.195253 318.7325       11.39899      320.6453       16.17395      316.7488       16.06060      178.8817 4.520852 177.7918 4.516687 1.089874       6.390506 
1 1 1 23 6  4  o 119.4421 3.302284 143.3198       7.892153      156.4261       11.63278      130.1426       10.67637      124.9320 4.655643 113.9522 4.684581 10.97979       6.604568 
1 1 1 23 6  5  o 213.1851 3.316177 455.5345       14.14070      459.9269       20.16254      451.1421       19.82957      214.2112 4.706229 212.1590 4.673280 2.052216       6.632355 
1 1 1 23 6  6  o 265.2838 2.968849 705.6888       15.77722      746.7082       23.32932      664.6694       21.23938      272.9914 4.272903 257.5763 4.122931 15.41516       5.937698 
1 1 1 23 6  7  o 195.2955 2.636925 381.9972       10.30089      381.7138       14.51618      382.2806       14.61536      195.2239 3.717827 195.3670 3.740489 -0.1430359     5.273850 
1 1 1 23 6  8  o 189.7717 2.598122 360.7437       9.861650      353.1632       13.76522      368.3241       14.12653      187.7783 3.665285 191.7650 3.683292 -3.986679      5.196244 
1 1 1 23 6  9  o 98.00398 2.797278 96.20776       5.483417      94.29493       7.672533      98.19141       7.835476      97.01202 3.954424 98.99596 3.957473 -1.983940      5.594556 
1 1 1 23 6  10 o 113.8928 2.716657 130.0009       6.189034      130.8510       8.997337      129.0799       8.501422      114.2754 3.936689 113.5102 3.744781 0.7651978      5.433315 
1 1 1 23 6  11 o 111.2907 2.711990 124.1208       6.038843      119.1616       8.359732      129.1508       8.713958      109.0514 3.832931 113.5300 3.837734 -4.478569      5.423980 
1 1 1 23 6  12 o 163.8590 2.410700 268.9283       7.899237      267.5822       10.40007      270.3452       11.90199      163.4565 3.181297 164.2616 3.622877 -0.8050995     4.821399 
1 1 1 23 6  13 o 74.15693 3.448373 55.57096       5.229083      46.78616       5.766089      64.34867       8.728126      68.29746 4.221306 80.01640 5.453961 -11.71893      6.896747 
1 1 1 23 6  14 o 37.13490 5.372663 14.31781       3.902861      17.39249       5.151153      11.24313       5.863855      41.54840 6.198978 32.72139 8.776942 8.827011       10.74533 
1 1 1 23 6  15 o 113.2863 2.581563 128.7257       5.855353      126.1753       7.828392      131.2761       8.706873      112.1782 3.489267 114.3944 3.805639 -2.216179      5.163126 
1 1 1 23 6  16 o 140.2526 2.479088 197.3038       6.964081      192.4155       9.167366      202.1921       10.48509      138.5369 3.308637 141.9684 3.692755 -3.431442      4.958177 
1 1 1 23 6  17 o 117.7202 2.745472 139.0691       6.462497      135.4560       9.139028      142.7530       9.139028      116.1705 3.933454 119.2698 3.831240 -3.099304      5.490944 
1 1 1 23 6  18 o 119.2862 2.598698 142.8239       6.196119      143.8157       8.090520      141.8320       9.386987      119.7347 3.378519 118.8377 3.949498 0.8970108      5.197396 
1 1 1 23 6  19 o 167.3230 2.637907 281.1845       8.827310      285.0810       12.29872      277.2172       12.66003      168.5081 3.649298 166.1380 3.810096 2.370056       5.275813 
1 1 1 23 6  20 o 160.1569 2.639796 257.5931       8.458915      252.4214       11.71779      262.7648       12.19954      158.5557 3.695165 161.7581 3.770921 -3.202347      5.279592 
1 1 1 23 6  21 o 90.27513 2.974344 82.10956       5.372899      77.64632       7.389152      86.50197       7.800055      87.83826 4.206113 92.71201 4.206604 -4.873749      5.948689 
1 1 1 23 6  22 o 194.3090 2.694798 379.4468       10.47092      376.9672       14.63661      381.9264       14.98375      193.6823 3.778511 194.9357 3.843256 -1.253387      5.389597 
1 1 1 23 6  23 o 42.56165 5.517399 19.09986       4.524882      19.49659       6.373232      18.70313       6.424241      43.03954 7.680336 42.08376 7.923334 0.9557800      11.03480 
1 1 1 23 6  24 f 43.22716 5.340230 19.58869       4.392401      23.07428       5.550720      16.11019       6.808222      47.69836 5.818565 38.75596 8.956368 8.942398       10.68046 
1 1 1 23 6  25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 6  26 o 75.15583 3.298198 57.31376       5.005212      51.32733       6.077808      63.30017       7.955913      71.29220 4.262604 79.01946 5.034148 -7.727264      6.596395 
1 1 1 23 6  27 o 58.51621 4.913038 36.29399       5.047010      46.69405       5.516714      25.90100       8.451830      67.99357 4.056791 49.03886 8.949536 18.95471       9.826076 
1 1 1 23 6  28 o 124.6933 2.491116 156.8512       6.193994      159.8976       7.686701      153.8049       9.719957      126.0395 3.049323 123.3471 3.940084 2.692398       4.982232 
1 1 1 23 6  29 o 38.52220 5.553216 16.36524       4.248586      10.06001       5.605271      22.67046       6.385984      30.34129 8.752782 46.70311 6.836788 -16.36182      11.10643 
1 1 1 23 6  30 o 30.84408 6.250619 10.54176       4.057303      11.20062       5.881567      9.882903       5.589684      31.73833 8.905566 29.94983 8.773359 1.788498       12.50124 
1 1 1 23 6  31 o 66.47600 3.801510 45.65972       5.046302      45.00794       7.693786      46.31149       6.528384      65.80643 5.845771 67.14557 4.861366 -1.339142      7.603020 
1 1 1 23 6  32 o 30.38964 6.464067 10.72596       4.295343      13.00009       6.806097      8.444746       5.241126      33.32950 9.654655 27.44978 8.597921 5.879725       12.92813 
1 1 1 23 6  33 o 58.58218 4.269635 36.22314       5.037800      39.04986       7.962997      33.39642       6.170615      60.59771 6.570379 56.56665 5.454287 4.031055       8.539269 
1 1 1 23 6  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 6  35 o 70.39175 3.662279 53.38184       5.207120      60.02711       8.253463      46.73656       6.351979      74.44495 5.543334 66.33855 4.787547 8.106392       7.324558 
1 1 1 23 6  36 o 35.02323 5.869154 15.28131       4.077140      15.15378       6.327183      15.40883       5.144068      34.14812 9.097879 35.89834 7.417309 -1.750221      11.73831 
1 1 1 23 6  37 o 32.92053 6.074118 14.40283       4.222373      11.68946       6.581517      17.11619       5.290718      28.52555 9.671754 37.31552 7.350972 -8.789976      12.14824 
1 1 1 23 6  38 o 23.33263 6.262432 7.984251       4.052344      9.889987       6.324349      6.078516       5.068973      25.27470 9.388777 21.39056 8.289938 3.884144       12.52486 
1 1 1 23 7  0  f 86.12648 5.423902 75.16674       9.266549      75.16674       9.266549      75.16674       9.266549      86.12648 5.423902 86.12648 5.423902 0.000000       0.000000 
1 1 1 23 7  1  o 80.77380 3.887794 65.70182       6.266964      57.51212       8.593520      73.89152       9.124859      75.71174 5.675157 85.83585 5.315296 -10.12411      7.775589 
1 1 1 23 7  2  o 161.7886 3.206910 262.6230       10.38590      280.6886       15.19629      244.5576       14.15487      167.3595 4.540014 156.2178 4.530492 11.14172       6.413820 
1 1 1 23 7  3  o 310.6302 3.936179 968.4536       24.45576      952.8677       34.31032      983.3311       34.85583      308.1864 5.566489 313.0740 5.566708 -4.887604      7.872359 
1 1 1 23 7  4  o 122.9889 3.021438 151.5378       7.445828      154.6550       11.59735      148.4915       9.344479      124.2162 4.668213 121.7616 3.837203 2.454628       6.042875 
1 1 1 23 7  5  o 80.49471 3.214664 64.96503       5.174532      67.49420       7.431659      62.43586       7.204955      82.06290 4.528026 78.92651 4.564344 3.136398       6.429328 
1 1 1 23 7  6  o 177.0388 2.621135 313.9150       9.280719      313.2774       13.26222      314.5526       12.98592      176.8558 3.749444 177.2218 3.663749 -0.3659363     5.242269 
1 1 1 23 7  7  o 284.4968 3.051580 811.1773       17.36415      804.0928       24.52660      818.2618       24.58328      283.2525 4.329460 285.7412 4.301669 -2.488708      6.103161 
1 1 1 23 7  8  o 117.0249 2.707136 137.2980       6.339935      143.3198       9.238212      131.2053       8.685618      119.6064 3.861921 114.4434 3.794722 5.163002       5.414272 
1 1 1 23 7  9  o 214.9680 2.541137 462.9733       10.91016      473.3166       14.60828      452.5590       16.20938      217.4005 3.359761 212.5355 3.813334 4.864990       5.082273 
1 1 1 23 7  10 o 72.84837 3.054644 53.21889       4.438450      55.28758       5.933992      51.15730       6.602770      74.27552 3.994581 71.42122 4.622415 2.854301       6.109288 
1 1 1 23 7  11 o 140.9419 2.431288 199.0041       6.869148      192.5572       8.876901      205.5219       10.48509      138.6622 3.200908 143.2216 3.660443 -4.559326      4.862576 
1 1 1 23 7  12 o 150.9642 2.437164 228.4048       7.339560      236.2687       9.734127      220.5410       10.98809      153.5861 3.168949 148.3423 3.703626 5.243759       4.874329 
1 1 1 23 7  13 o 189.3389 2.476981 359.3267       9.365732      364.6401       12.31998      354.0133       14.11944      190.7711 3.228994 187.9066 3.757038 2.864532       4.953961 
1 1 1 23 7  14 o 204.2995 2.532673 418.8367       10.39299      396.7330       13.07094      440.8696       16.16687      198.9566 3.284871 209.6424 3.855822 -10.68578      5.065347 
1 1 1 23 7  15 o 129.6476 2.721359 168.8949       7.047678      157.0638       9.911241      180.6552       10.01751      125.1008 3.961302 134.1944 3.732460 -9.093628      5.442717 
1 1 1 23 7  16 o 100.3420 2.942719 101.3086       5.912738      110.5893       8.756464      92.02789       7.948828      104.9467 4.171861 95.73721 4.151380 9.209526       5.885438 
1 1 1 23 7  17 o 91.51278 3.957517 84.87252       7.183701      71.83701       10.08127      97.97889       10.24421      84.37691 5.973950 98.64865 5.192272 -14.27174      7.915035 
1 1 1 23 7  18 o 141.6961 2.686771 201.6254       7.615856      201.2712       10.49217      201.9796       11.03768      141.5863 3.705221 141.8060 3.891824 -0.2196960     5.373542 
1 1 1 23 7  19 o 60.77145 4.410866 37.35666       5.341018      38.27765       6.483042      36.44276       8.487252      61.61747 5.260717 59.92543 7.081512 1.692043       8.821733 
1 1 1 23 7  20 o 72.54690 3.434933 53.17639       4.960579      58.80150       6.991002      47.55128       7.039886      76.42567 4.573726 68.66812 5.126022 7.757553       6.869867 
1 1 1 23 7  21 o 70.92980 3.510561 50.76057       4.972623      52.45377       6.810347      49.06029       7.247461      72.14479 4.719916 69.71481 5.197936 2.429977       7.021121 
1 1 1 23 7  22 f 81.80081 3.249373 67.43752       5.318347      66.80700       7.304138      68.06805       7.729208      81.43345 4.484728 82.16817 4.703287 -0.7347183     6.498746 
1 1 1 23 7  23 o 165.6985 2.526208 275.9420       8.380984      272.5414       10.78264      279.3425       12.83006      164.7436 3.272550 166.6533 3.849328 -1.909622      5.052416 
1 1 1 23 7  24 o 68.76625 3.597006 47.89843       4.892568      51.00144       5.920532      44.79541       7.792970      71.13055 4.161736 66.40195 5.868028 4.728607       7.194011 
1 1 1 23 7  25 o 33.47869 6.579314 12.10744       4.636817      11.49109       5.440909      12.71671       7.509589      32.63857 8.310883 34.31881 10.20190 -1.680241      13.15863 
1 1 1 23 7  26 o 44.77537 5.161064 21.17562       4.369730      25.66012       5.780967      16.69112       6.554596      50.20002 5.757933 39.35072 8.566944 10.84930       10.32213 
1 1 1 23 7  27 o 36.57681 6.380078 14.92708       4.760087      10.28672       5.490501      19.56744       7.778800      30.86696 8.586048 42.28665 9.439350 -11.41969      12.76016 
1 1 1 23 7  28 o 30.67486 6.460907 10.19462       4.269839      9.209873       5.615189      11.17937       6.434159      29.30050 8.844517 32.04921 9.420606 -2.748713      12.92181 
1 1 1 23 7  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 7  30 o 62.95394 3.807812 40.74306       4.782050      42.37250       6.461080      39.11362       7.051221      64.32373 5.022315 61.58416 5.724866 2.739574       7.615624 
1 1 1 23 7  31 o 26.72832 6.446272 7.389152       4.338559      11.73905       6.745878      3.044217       5.457912      32.17521 9.690554 21.28143 8.503578 10.89378       12.89254 
1 1 1 23 7  32 o 42.87485 5.423309 20.33965       4.471039      18.53310       7.042011      22.14620       5.511046      39.95853 9.024287 45.79116 6.017588 -5.832630      10.84662 
1 1 1 23 7  33 o 20.23432 6.198396 1.244041       4.654528      3.339642       7.339560      -0.8515590     5.728541      22.74595 9.545765 17.72269 7.909415 5.023264       12.39679 
1 1 1 23 7  34 o 73.16754 3.753603 57.13664       5.457204      55.33009       8.551013      58.94318       6.784134      71.37824 5.989930 74.95683 4.525361 -3.578590      7.507206 
1 1 1 23 7  35 o 15.26970 4.997529 -3.020838      3.672614      -4.406570      5.461455      -1.635107      4.912405      14.86998 7.005365 15.66941 7.129239 -0.7994299     9.995058 
1 1 1 23 7  36 o 64.49286 3.418057 44.71748       4.415071      46.29733       6.616940      43.13763       5.847561      65.42062 5.057228 63.56509 4.599664 1.855530       6.836114 
1 1 1 23 7  37 o 84.30708 2.945446 76.01688       4.965539      75.87518       7.254546      76.15857       6.781301      84.02574 4.316860 84.58843 4.008409 -0.5626907     5.890893 
1 1 1 23 8  0  o 55.48608 5.893463 31.87325       6.409364      31.87325       6.409364      31.87325       6.409364      55.48608 5.893463 55.48608 5.893463 0.000000       0.000000 
1 1 1 23 8  1  o 73.83681 3.186832 54.64997       4.695619      53.26849       7.155363      56.02437       6.081350      72.89075 4.908279 74.78288 4.066005 -1.892120      6.373664 
1 1 1 23 8  2  o 130.6254 2.680208 171.0911       6.995253      160.6060       9.804973      181.5053       9.982086      126.6274 3.871585 134.6234 3.707410 -7.996063      5.360416 
1 1 1 23 8  3  o 39.64313 5.673888 16.47859       4.417905      21.91950       6.368274      11.03059       6.125983      46.69868 6.818472 32.58757 9.070858 14.11111       11.34778 
1 1 1 23 8  4  o 59.29395 3.993284 35.84058       4.650986      26.97784       6.421407      44.69622       6.730292      51.82821 6.194896 66.75969 5.040686 -14.93148      7.986567 
1 1 1 23 8  5  o 147.1180 2.626160 216.9988       7.722124      204.4592       10.71179      229.4675       11.13686      142.8728 3.748716 151.3631 3.678857 -8.490265      5.252319 
1 1 1 23 8  6  o 95.68084 2.872985 91.74451       5.498294      94.08241       7.892153      89.40662       7.658363      96.89970 4.072331 94.46198 4.053676 2.437729       5.745970 
1 1 1 23 8  7  o 21.10477 5.864631 1.094558       3.994251      6.169198       5.905654      -3.979374      5.379274      26.19402 9.143776 16.01553 7.346220 10.17849       11.72926 
1 1 1 23 8  8  o 266.5536 2.968499 711.9940       15.82681      707.3182       22.37291      716.9532       22.38708      265.6502 4.210972 267.4571 4.185171 -1.806915      5.936997 
1 1 1 23 8  9  o 201.9001 3.009330 408.6350       12.14995      407.5723       19.00068      409.6977       15.13961      201.5818 4.712894 202.2185 3.743381 -0.6366425     6.018661 
1 1 1 23 8  10 o 115.5965 2.731764 133.9682       6.313014      130.5677       9.025676      137.2980       8.827310      114.1382 3.953835 117.0549 3.770586 -2.916611      5.463528 
1 1 1 23 8  11 o 235.4667 2.820920 555.8513       13.29056      566.4072       19.10695      545.3661       18.46934      237.6906 4.019289 233.2428 3.959252 4.447876       5.641840 
1 1 1 23 8  12 o 229.7392 2.617134 529.1426       12.00826      539.0609       15.97559      519.2242       17.93800      231.9303 3.444049 227.5481 3.941583 4.382156       5.234267 
1 1 1 23 8  13 o 108.4066 2.601815 117.8864       5.632900      119.8700       7.452912      115.8319       8.451830      109.3564 3.407625 107.4567 3.932666 1.899681       5.203630 
1 1 1 23 8  14 o 26.12757 6.083614 6.481626       3.754794      7.941744       4.981124      5.018672       5.619440      27.80811 8.317394 24.44702 8.880451 3.361095       12.16723 
1 1 1 23 8  15 o 121.7370 2.751159 148.8457       6.700537      157.3471       9.712874      140.3443       9.231127      125.2177 3.878396 118.2562 3.903020 6.961464       5.502319 
1 1 1 23 8  16 o 93.54706 2.969547 87.84802       5.556387      87.13957       7.877984      88.62732       7.835476      93.14839 4.228728 93.94572 4.170215 -0.7973328     5.939093 
1 1 1 23 8  17 o 27.61414 7.303301 6.042386       5.438785      6.628275       7.736294      5.457204       7.644195      28.22979 10.40345 26.99849 10.25286 1.231300       14.60660 
1 1 1 23 8  18 o 182.8965 2.688856 336.2312       9.847479      318.3782       13.30472      354.0133       14.52326      178.0602 3.736019 187.7327 3.868069 -9.672546      5.377713 
1 1 1 23 8  19 o 24.44807 6.503234 4.618397       4.340684      3.583349       5.701620      5.654153       6.546803      22.84157 8.804487 26.05457 9.573360 -3.213001      13.00647 
1 1 1 23 8  20 o 32.25857 6.021231 11.06602       3.968038      10.31506       4.974748      11.82406       6.182659      31.17368 7.952249 33.34346 9.043375 -2.169786      12.04246 
1 1 1 23 8  21 o 175.8983 2.446795 310.7978       8.558097      326.1003       10.82514      295.5661       13.25513      180.3083 3.001843 171.4883 3.864733 8.819977       4.893590 
1 1 1 23 8  22 o 19.82606 5.826232 0.1109436      4.019756      3.404819       5.307012      -3.183074      6.038843      22.05363 8.495681 17.59849 7.975169 4.455145       11.65246 
1 1 1 23 8  23 f 70.51628 3.720478 50.53387       5.163197      57.80967       6.886151      43.25098       7.693786      75.71957 4.547141 65.31299 5.889936 10.40659       7.440957 
1 1 1 23 8  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 8  25 o 27.55702 6.510694 6.756505       4.563846      10.71888       5.815681      2.790592       7.035635      31.58736 8.853065 23.52668 9.548809 8.060682       13.02139 
1 1 1 23 8  26 o 175.3194 2.572646 309.8059       8.997337      321.2121       12.02243      298.3999       13.38974      178.6436 3.364920 171.9953 3.892472 6.648254       5.145292 
1 1 1 23 8  27 o 30.28835 6.162948 9.946663       4.121772      5.500420       5.268047      14.38866       6.341352      24.27363 8.619842 36.30306 8.810563 -12.02943      12.32590 
1 1 1 23 8  28 o 70.04036 3.478551 49.98836       4.856437      52.02869       6.442660      47.94093       7.268716      71.57697 4.500513 68.50375 5.305342 3.073219       6.957102 
1 1 1 23 8  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 8  30 o 87.95905 3.030671 78.92152       5.269464      85.79351       6.689201      72.12038       8.140111      92.00232 3.635344 83.91576 4.850168 8.086555       6.061341 
1 1 1 23 8  31 o 61.63270 3.641773 39.24114       4.513546      37.08037       5.511046      41.39484       7.148279      60.13634 4.582127 63.12905 5.661639 -2.992710      7.283546 
1 1 1 23 8  32 o 43.60624 4.598920 20.26172       4.001336      19.25572       5.772465      21.27481       5.543635      42.39140 6.808533 44.82107 6.184184 -2.429672      9.197840 
1 1 1 23 8  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 8  34 f 43.15009 5.930474 22.60670       5.068264      9.762465       8.040927      35.45801       6.172032      28.53903 10.58950 57.76115 5.342719 -29.22213      11.86095 
1 1 1 23 8  35 o 64.91911 3.450155 45.03628       4.485208      52.22707       6.758630      37.85258       5.897153      70.18140 4.815115 59.65681 4.942565 10.52460       6.900310 
1 1 1 23 8  36 o 29.83905 5.652721 11.24313       3.756920      6.045219       5.413989      16.44317       5.210663      22.70633 8.626890 36.97178 7.306832 -14.26545      11.30544 
1 1 1 23 8  37 o 23.78386 5.603107 6.920866       3.585474      12.80172       5.345269      1.040007       4.779924      30.79366 8.434092 16.77406 7.378710 14.01961       11.20621 
1 1 1 23 9  0  f 32.69155 9.277508 13.00717       5.248919      13.00717       5.248919      13.00717       5.248919      32.69155 9.277508 32.69155 9.277508 0.000000       0.000000 
1 1 1 23 9  1  o 70.16774 3.041487 49.34367       4.268422      50.20798       6.065056      48.47936       6.006963      70.78291 4.284266 69.55257 4.318290 1.230339       6.082973 
1 1 1 23 9  2  o 172.0744 2.270917 296.4871       7.814223      289.8985       10.98100      303.0757       11.12269      170.1612 3.226647 173.9875 3.196406 -3.826263      4.541834 
1 1 1 23 9  3  o 135.0087 2.506706 182.8514       6.816014      197.7997       10.67637      167.9031       8.473083      140.5217 3.798831 129.4957 3.271569 11.02605       5.013411 
1 1 1 23 9  4  o 76.99234 3.140053 59.45327       4.811805      56.71865       7.353730      62.18081       6.210288      75.20357 4.889216 78.78111 3.941483 -3.577545      6.280105 
1 1 1 23 9  5  o 48.38338 4.326425 23.53477       4.162862      22.37999       6.426365      24.68246       5.292843      47.17248 6.811563 49.59428 5.336143 -2.421803      8.652850 
1 1 1 23 9  6  o 67.48445 3.299145 45.67389       4.456870      46.36817       6.716123      44.97252       5.861022      67.98882 4.939138 66.98009 4.375197 1.008736       6.598290 
1 1 1 23 9  7  o 146.7782 2.459784 215.7944       7.212039      212.3230       10.96683      219.2658       9.365732      145.5775 3.766666 147.9789 3.164549 -2.401489      4.919568 
1 1 1 23 9  8  o 34.91066 5.751896 12.90799       3.977957      15.81973       6.017590      9.989170       5.204995      38.89760 8.009318 30.92372 8.257607 7.973883       11.50379 
1 1 1 23 9  9  o 120.9258 2.559200 146.5078       6.189743      146.5078       9.429493      146.5078       8.019674      120.9074 3.899469 120.9442 3.315443 -0.3681946E-01 5.118400 
1 1 1 23 9  10 f 58.07570 3.768992 34.16863       4.417197      40.38176       6.935034      27.94842       5.472790      63.39707 5.469523 52.75432 5.187054 10.64275       7.537984 
1 1 1 23 9  11 o 51.89653 4.149138 27.10536       4.288967      26.12770       6.608438      28.08303       5.469956      50.92517 6.488381 52.86789 5.173231 -1.942711      8.298277 
1 1 1 23 9  12 o 110.3196 2.814706 122.2788       6.213122      130.9219       9.054014      113.5648       8.508506      114.2421 3.962642 106.3971 3.998467 7.845047       5.629411 
1 1 1 23 9  13 o 38.98019 5.595397 15.69929       4.286842      14.70746       6.893235      16.69821       5.097310      37.27177 9.273543 40.68861 6.263804 -3.416847      11.19079 
1 1 1 23 9  14 o 94.39536 3.534756 89.90253       6.658030      80.48012       9.238212      99.25409       9.592437      89.43348 5.164851 99.35725 4.827246 -9.923767      7.069511 
1 1 1 23 9  15 o 256.7701 2.752500 661.6940       14.11944      669.2036       18.54727      654.1844       21.30314      258.2957 3.590317 255.2445 4.173086 3.051208       5.505000 
1 1 1 23 9  16 o 91.63869 2.864940 84.37660       5.243251      85.65182       6.755795      83.03055       8.019674      92.38707 3.656246 90.89030 4.411733 1.496773       5.729879 
1 1 1 23 9  17 o 227.7391 2.663270 520.8538       12.11453      529.0010       15.79847      512.7066       18.37016      229.5991 3.440448 225.8792 4.066368 3.719894       5.326540 
1 1 1 23 9  18 o 72.29613 3.457814 52.72298       4.981833      57.05162       6.963373      48.39434       7.127024      75.29568 4.624019 69.29656 5.142409 5.999123       6.915628 
1 1 1 23 9  19 o 111.3857 2.706350 124.6875       6.043094      120.7910       7.743378      128.5840       9.280719      109.6841 3.529855 113.0872 4.103345 -3.403152      5.412700 
1 1 1 23 9  20 o 133.8133 2.618571 180.0176       6.986042      186.8187       9.202788      173.1456       10.51342      136.4101 3.373207 131.2165 4.006136 5.193573       5.237142 
1 1 1 23 9  21 o 33.62595 6.041071 12.26330       4.196160      7.665448       5.298511      16.86115       6.508547      27.42710 8.655309 39.82479 8.429935 -12.39769      12.08214 
1 1 1 23 9  22 o 220.4096 2.858672 488.9734       12.61044      478.4883       17.23663      499.4585       18.40558      218.0773 3.951955 222.7418 4.131595 -4.664490      5.717344 
1 1 1 23 9  23 o 48.44138 5.078747 24.00235       4.924448      23.63395       6.274049      24.37074       7.594603      48.16553 6.513007 48.71724 7.794575 -0.5517044     10.15749 
1 1 1 23 9  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 9  25 o 31.49416 6.531276 10.71888       4.473873      7.360813       5.564889      14.07694       7.006588      27.00078 8.893443 35.98753 9.567493 -8.986757      13.06255 
1 1 1 23 9  26 o 114.2212 2.654276 131.6304       6.087726      127.5922       7.325392      135.6685       9.719957      112.5909 3.253101 115.8516 4.195005 -3.260681      5.308553 
1 1 1 23 9  27 o 38.24232 5.547892 15.53635       4.181991      16.03935       5.051261      15.02626       6.665823      39.48378 6.396628 37.00086 9.066397 2.482922       11.09578 
1 1 1 23 9  28 f 65.00729 3.564114 43.17305       4.646736      41.87658       5.649903      44.46952       7.382068      64.19233 4.400762 65.82224 5.607578 -1.629913      7.128228 
1 1 1 23 9  29 o 108.5285 2.546879 119.3033       5.529466      118.5240       7.289969      120.0826       8.317224      108.2612 3.366843 108.7959 3.822398 -0.5347137     5.093757 
1 1 1 23 9  30 o 107.3697 2.494118 117.2488       5.387776      104.3549       6.852854      130.2134       8.317224      101.4963 3.375912 113.2430 3.672291 -11.74665      4.988237 
1 1 1 23 9  31 o 84.68309 2.942187 73.46645       4.983250      72.61631       7.059722      74.24575       7.033509      84.19828 4.192320 85.16791 4.129202 -0.9696274     5.884374 
1 1 1 23 9  32 o 19.77872 5.862144 1.430364       3.948202      3.333974       5.764672      -0.4727499     5.396277      21.70832 8.712119 17.84913 7.845884 3.859194       11.72429 
1 1 1 23 9  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 9  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 9  35 o 82.89896 3.331517 73.25391       5.563472      78.14223       9.054014      68.40810       6.467456      84.95226 5.328884 80.84565 3.999879 4.106613       6.663035 
1 1 1 23 9  36 f 61.72855 3.999311 42.59921       4.760796      36.73323       7.580434      48.46519       5.763256      56.07278 6.759460 67.38432 4.276406 -11.31154      7.998622 
1 1 1 23 9  37 o 86.32331 3.286199 81.96787       5.561347      73.82067       8.671450      90.11507       6.962664      80.71148 5.371881 91.93514 3.786726 -11.22366      6.572397 
1 1 1 23 10 0  o 83.47041 3.954184 70.20757       6.569473      70.20757       6.569473      70.20757       6.569473      83.47041 3.954184 83.47041 3.954184 0.000000       0.000000 
1 1 1 23 10 1  o 150.9742 2.292013 228.2632       6.920866      228.4048       9.755382      228.0506       9.819141      151.0334 3.229543 150.9149 3.253206 0.1185913      4.584026 
1 1 1 23 10 2  o 230.4377 2.434784 531.8348       11.22188      523.1208       15.74180      540.5487       15.99684      228.5497 3.443846 232.3257 3.442762 -3.776031      4.869567 
1 1 1 23 10 3  f 128.7482 2.503038 165.9902       6.439827      167.4072       8.593520      164.6442       9.599521      129.2959 3.323199 128.2005 3.743949 1.095428       5.006077 
1 1 1 23 10 4  o 155.3094 2.277353 241.5820       7.073891      234.5684       9.897071      248.5957       10.10961      153.0536 3.233205 157.5651 3.208072 -4.511551      4.554705 
1 1 1 23 10 5  o 78.28087 2.825278 61.42277       4.424282      63.36392       6.363315      59.48161       6.147944      79.51791 4.001183 77.04382 3.989901 2.474083       5.650555 
1 1 1 23 10 6  f 69.93345 3.240278 49.06738       4.512129      46.97744       6.903862      51.15730       5.812139      68.42244 5.045028 71.44446 4.067593 -3.022018      6.480557 
1 1 1 23 10 7  o 51.01092 4.166637 26.16313       4.262754      27.54460       6.456830      24.78873       5.567723      52.34313 6.167791 49.67871 5.603732 2.664421       8.333274 
1 1 1 23 10 8  o 120.7510 2.533419 146.2244       6.144402      153.8757       9.557014      138.5023       7.729208      123.9096 3.856447 117.5925 3.286438 6.317062       5.066839 
1 1 1 23 10 9  o 108.7288 2.616236 118.4531       5.696661      120.2243       8.742295      116.7529       7.304138      109.5055 3.991714 107.9522 3.383044 1.553360       5.232473 
1 1 1 23 10 10 o 136.1121 2.791996 185.8269       7.566265      180.1593       12.16412      191.4945       8.990252      133.9745 4.539715 138.2497 3.251455 -4.275223      5.583992 
1 1 1 23 10 11 o 86.85724 4.392280 0.000000       0.000000      ?              ?             75.73349       7.630026      ?        ?        86.85724 4.392280 ?              ?        
1 1 1 23 10 12 o 176.5504 2.787233 312.9231       9.904156      325.2502       16.22355      300.5252       11.35648      179.9476 4.507854 173.1532 3.279317 6.794403       5.574465 
1 1 1 23 10 13 o 109.2700 3.941024 120.4368       8.806056      130.1426       15.90474      110.8019       7.573349      113.4356 7.010472 105.1044 3.602774 8.331184       7.882049 
1 1 1 23 10 14 o 30.28403 7.190242 6.421407       6.201787      1.742791       11.19354      11.10144       5.345269      28.13166 11.79644 32.43639 8.224489 -4.304733      14.38048 
1 1 1 23 10 15 o 41.01875 7.323662 16.74780       6.721791      13.97775       12.19245      19.51785       5.664781      38.08861 13.15331 43.94889 6.444736 -5.860275      14.64732 
1 1 1 23 10 16 o 59.89451 5.437040 36.49944       6.522716      37.81715       9.734127      35.18171       8.685618      60.93628 7.987136 58.85274 7.379112 2.083538       10.87408 
1 1 1 23 10 17 o 36.56088 6.981269 14.38866       5.422490      17.34290       9.365732      11.43441       5.469248      40.27596 11.21742 32.84581 8.313956 7.430149       13.96254 
1 1 1 23 10 18 o 45.14332 5.941310 21.36691       5.092351      16.76197       8.281801      25.97893       5.925491      39.57778 10.34698 50.70885 5.842659 -11.13108      11.88262 
1 1 1 23 10 19 o 71.24084 3.608932 51.43360       5.061888      44.80958       7.651280      58.05762       6.628275      66.54573 5.748888 75.93597 4.364385 -9.390236      7.217865 
1 1 1 23 10 20 o 158.6472 2.820564 253.0590       8.947746      255.9636       12.87257      250.1543       12.44041      159.5480 4.034073 157.7464 3.943168 1.801590       5.641128 
1 1 1 23 10 21 o 197.4475 2.669946 392.1281       10.56302      399.9211       16.16687      384.2642       13.58811      199.3340 4.055223 195.5610 3.474135 3.772949       5.339891 
1 1 1 23 10 22 o 121.3611 2.789014 148.2081       6.765715      146.5078       10.06001      149.9084       9.046929      120.6206 4.170106 122.1016 3.704674 -1.480957      5.578027 
1 1 1 23 10 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 10 24 o 25.97181 6.490928 5.946744       4.370439      9.231127       6.259171      2.658819       6.101895      29.72949 9.409892 22.21413 8.943295 7.515354       12.98186 
1 1 1 23 10 25 o 37.67326 5.478834 15.53635       4.121772      23.02468       6.030342      8.040927       5.621565      47.44530 6.355046 27.90121 8.926581 19.54409       10.95767 
1 1 1 23 10 26 o 108.9644 2.652773 119.7992       5.780967      120.6493       8.161365      119.0199       8.189702      109.3400 3.732104 108.5888 3.770970 0.7511902      5.305546 
1 1 1 23 10 27 o 75.92912 3.276384 58.61730       4.966247      55.37967       7.127024      61.85492       6.915198      73.77886 4.829991 78.07937 4.428313 -4.300507      6.552768 
1 1 1 23 10 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 10 29 o 114.2414 2.610403 132.2680       5.961622      130.3551       8.437660      134.1099       8.430575      113.4191 3.719682 115.0637 3.663438 -1.644615      5.220806 
1 1 1 23 10 30 o 39.27796 5.506782 16.90366       4.244335      20.05627       6.118190      13.75105       5.885109      43.55562 7.023421 35.00030 8.483522 8.555321       11.01356 
1 1 1 23 10 31 o 63.00801 3.578363 41.28149       4.508587      40.86350       6.407947      41.69947       6.344894      62.66392 5.112947 63.35210 5.007643 -0.6881790     7.156725 
1 1 1 23 10 32 o 53.86851 4.320852 31.15062       4.647444      29.51410       6.625441      32.78006       6.518465      52.32099 6.331532 55.41602 5.881390 -3.095028      8.641704 
1 1 1 23 10 33 o 42.60218 5.565464 21.99743       4.565971      30.52010       6.745169      13.47475       6.156446      52.49847 6.424159 32.70589 9.089981 19.79258       11.13093 
1 1 1 23 10 34 o 47.24344 4.896151 25.13587       4.647444      26.69446       7.396237      23.57019       5.626524      48.10437 7.687697 46.38251 6.065351 1.721863       9.792301 
1 1 1 23 10 35 o 25.94017 6.001595 8.218040       4.242918      16.83282       6.905988      -0.4025423     4.932241      35.55437 9.519633 16.32598 7.311167 19.22839       12.00319 
1 1 1 23 10 36 o 22.68919 6.255328 6.434867       4.137358      7.226208       6.604896      5.642110       4.986084      23.69087 9.389623 21.68750 8.267497 2.003370       12.51066 
1 1 1 23 11 0  o 64.88480 4.602944 42.79049       5.912738      42.79049       5.912738      42.79049       5.912738      64.88480 4.602944 64.88480 4.602944 0.000000       0.000000 
1 1 1 23 11 1  o 216.8892 2.391704 471.1205       10.37173      471.2621       14.67204      470.9787       14.67204      216.9219 3.381871 216.8565 3.382890 0.6535339E-01  4.783409 
1 1 1 23 11 2  o 176.6114 2.298946 312.3564       8.118857      313.6316       11.51943      311.0811       11.44858      176.9717 3.254596 176.2512 3.247802 0.7205200      4.597892 
1 1 1 23 11 3  o 243.2252 2.496766 592.5491       12.14286      595.5954       17.28622      589.5735       17.06660      243.8416 3.544561 242.6089 3.517308 1.232666       4.993532 
1 1 1 23 11 4  o 89.83649 2.645966 80.97604       4.748044      74.88335       6.636776      87.06872       6.791928      86.44749 3.838617 93.22548 3.642742 -6.777985      5.291932 
1 1 1 23 11 5  o 216.7244 2.396431 470.4828       10.38590      463.8234       14.60119      477.1423       14.77830      215.1901 3.392626 218.2587 3.385502 -3.068542      4.792863 
1 1 1 23 11 6  o 164.4304 2.285509 270.8411       7.516674      278.2090       10.87473      263.4732       10.38590      166.6650 3.262454 162.1958 3.201657 4.469193       4.571019 
1 1 1 23 11 7  o 35.16301 5.577369 13.20554       3.890109      17.48459       5.908488      8.926493       5.061888      41.00175 7.482801 29.32425 8.272598 11.67750       11.15474 
1 1 1 23 11 8  o 89.44172 2.890222 80.48012       5.115730      71.41194       7.580434      89.54830       6.875525      84.36023 4.492896 94.52321 3.636950 -10.16298      5.780443 
1 1 1 23 11 9  o 86.07942 4.173267 75.16674       7.530843      88.48563       13.63770      61.90452       6.400154      93.60168 7.284964 78.55716 4.073565 15.04452       8.346535 
1 1 1 23 11 10 o 75.35414 4.603309 57.44835       6.683534      50.76765       11.72488      64.13614       6.418573      70.75520 8.285524 79.95309 4.013962 -9.197891      9.206617 
1 1 1 23 11 11 o 89.27934 4.174066 80.40928       7.601687      86.43112       13.58102      74.45828       6.827350      92.41879 7.347543 86.13989 3.962943 6.278900       8.348132 
1 1 1 23 11 12 o 147.7422 3.689598 220.0451       11.14395      236.8354       20.24755      203.1840       9.330310      153.1192 6.611695 142.3652 3.276893 10.75404       7.379196 
1 1 1 23 11 13 o 139.1629 3.026275 194.5409       8.437660      196.4537       14.16195      192.5572       9.174451      139.7397 5.067263 138.5861 3.310018 1.153519       6.052551 
1 1 1 23 11 14 o 158.0284 3.010773 250.9336       9.557014      256.6012       16.01810      245.1952       10.42133      159.6865 5.015481 156.3702 3.332260 3.316299       6.021545 
1 1 1 23 11 15 o 113.9932 3.281471 130.7802       7.459997      128.9382       12.44041      132.5513       8.225125      113.0649 5.501450 114.9216 3.578581 -1.856758      6.562941 
1 1 1 23 11 16 o 193.8968 3.246385 378.5258       12.52543      362.3022       19.34073      394.6785       15.92599      189.6063 5.100236 198.1873 4.017916 -8.581009      6.492769 
1 1 1 23 11 17 o 78.02972 4.061146 61.54321       6.235084      57.27124       10.40007      65.81518       6.882609      75.14861 6.919672 80.91084 4.253206 -5.762238      8.122292 
1 1 1 23 11 18 o 35.57334 8.318461 13.42516       7.644195      17.93800       14.33198      8.912323       5.309138      41.94489 14.27234 29.20179 8.549117 12.74310       16.63692 
1 1 1 23 11 19 o 172.2101 2.648364 298.1165       9.096521      286.7104       13.63061      309.4518       12.04368      168.8585 4.036106 175.5618 3.430041 -6.703293      5.296729 
1 1 1 23 11 20 o 42.11349 6.438160 18.95817       5.265922      18.90149       7.601687      19.02193       7.289969      42.00511 9.295712 42.22186 8.910070 -0.2167473     12.87632 
1 1 1 23 11 21 o 80.43630 3.199304 65.24841       5.145485      62.25874       7.204955      68.24516       7.346645      78.58195 4.584357 82.29065 4.463840 -3.708694      6.398609 
1 1 1 23 11 22 o 111.0696 3.200923 124.7584       7.036344      112.8564       10.63386      136.7312       9.216957      105.6234 5.033858 116.5159 3.955237 -10.89250      6.401845 
1 1 1 23 11 23 o 34.17696 7.830115 10.08835       7.060431      2.682199       11.58319      17.49876       8.076350      28.43741 11.96578 39.91652 10.10262 -11.47911      15.66023 
1 1 1 23 11 24 o 50.97749 4.478061 26.58820       4.553928      24.63995       6.480917      28.53644       6.398736      49.05955 6.605154 52.89544 6.048477 -3.835892      8.956122 
1 1 1 23 11 25 o 160.5119 2.450601 259.8601       7.863815      242.5739       10.83223      277.0755       11.41316      155.1691 3.490459 165.8548 3.440709 -10.68564      4.901202 
1 1 1 23 11 26 o 105.1512 2.926621 112.0062       6.175574      105.0634       8.026759      118.9491       9.386987      101.9485 3.936675 108.3539 4.331633 -6.405434      5.853243 
1 1 1 23 11 27 o 116.5084 2.655089 137.7939       6.183367      153.5215       9.082352      121.9954       8.395153      123.2204 3.685408 109.7964 3.823055 13.42402       5.310177 
1 1 1 23 11 28 o 74.23412 6.540002 59.89251       9.691620      58.80150       14.50909      60.97644       12.84423      73.11206 9.922503 75.35618 8.522347 -2.244118      13.08000 
1 1 1 23 11 29 o 76.04881 3.220284 59.36826       4.893277      66.48111       7.183701      52.25541       6.648112      80.65812 4.453179 71.43949 4.652967 9.218628       6.440567 
1 1 1 23 11 30 o 42.46217 4.893700 19.13528       4.155778      18.83773       5.865981      19.43991       5.887943      42.11250 6.964656 42.81183 6.876537 -0.6993370     9.787399 
1 1 1 23 11 31 o 26.93849 6.393377 7.998421       4.084224      9.238212       5.919114      6.765006       5.629357      28.54598 9.162492 25.33100 8.919070 3.214983       12.78675 
1 1 1 23 11 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 11 33 o 32.14649 13.83822 13.12761       16.11019      13.12761       16.11019      ?              ?             32.14649 13.83822 ?        ?        ?              ?        
1 1 1 23 11 34 o 21.11249 5.928797 4.127440       3.732832      4.534800       5.431700      3.719372       5.122815      21.66542 8.537627 20.55956 8.228699 1.105864       11.85759 
1 1 1 23 11 35 o 16.53531 5.251332 -0.4626898     3.652777      -1.386440      5.306304      0.4614146      5.020798      16.06423 7.338280 17.00639 7.513696 -0.9421577     10.50266 
1 1 1 23 11 36 o 35.26617 5.352793 16.05352       4.421447      4.621231       6.881900      27.48793       5.552136      21.29099 9.100889 49.24137 5.637675 -27.95038      10.70559 
1 1 1 23 12 0  o 88.34650 3.813123 78.56730       6.710455      78.56730       6.710455      78.56730       6.710455      88.34650 3.813123 88.34650 3.813123 0.000000       0.000000 
1 1 1 23 12 1  o 150.4985 2.300203 226.8463       6.924408      225.2877       9.833311      228.4048       9.748297      149.9797 3.278214 151.0173 3.227543 -1.037613      4.600405 
1 1 1 23 12 2  f 82.34422 2.821507 68.28058       4.624065      58.73774       6.421407      77.85885       6.654488      76.54237 4.194675 88.14609 3.774693 -11.60372      5.643014 
1 1 1 23 12 3  o 92.09625 2.703349 85.01421       4.977582      82.95970       7.081684      87.06872       6.996669      90.97963 3.891906 93.21288 3.753059 -2.233253      5.406699 
1 1 1 23 12 4  o 132.3147 2.783799 175.4835       7.396237      179.9467       12.13578      171.0911       8.458915      133.9328 4.530547 130.6965 3.236091 3.236328       5.567597 
1 1 1 23 12 5  o 51.20382 4.911562 27.01326       4.680032      22.04702       7.502505      31.97243       5.601020      45.97548 8.477396 56.43216 4.962614 -10.45668      9.823125 
1 1 1 23 12 6  f 70.31187 3.696831 49.66956       5.197202      49.70498       8.416408      49.63413       6.102604      70.28578 5.987276 70.33795 4.338059 -0.5216980E-01 7.393661 
1 1 1 23 12 7  o 137.3888 2.790978 189.3692       7.715039      196.4537       12.65295      182.2846       8.827310      139.8980 4.522203 134.8795 3.272293 5.018494       5.581955 
1 1 1 23 12 8  o 78.32687 3.428902 61.64239       5.382816      62.63422       8.756464      60.65056       6.266256      78.90066 5.549044 77.75307 4.029588 1.147583       6.857803 
1 1 1 23 12 9  o 190.9263 2.814295 365.7737       10.71888      360.6020       17.22955      370.9453       12.76630      189.4786 4.546568 192.3740 3.318094 -2.895432      5.628591 
1 1 1 23 12 10 o 73.94585 3.269634 54.95461       4.826682      53.63689       7.304138      56.26524       6.308763      73.03139 5.000684 74.86031 4.213690 -1.828926      6.539268 
1 1 1 23 12 11 o 75.29326 3.448080 57.37043       5.149027      48.24557       7.233293      66.48820       7.325392      69.23866 5.223450 81.34785 4.502511 -12.10918      6.896161 
1 1 1 23 12 12 o 68.87106 3.505742 48.17472       4.867773      57.60422       7.637110      38.74523       6.043094      75.67004 5.046324 62.07207 4.867804 13.59797       7.011484 
1 1 1 23 12 13 o 108.3338 2.808702 117.9572       6.116773      125.6794       9.500339      110.2351       7.707955      111.8530 4.246797 104.8146 3.676949 7.038437       5.617404 
1 1 1 23 12 14 o 62.81092 3.959624 39.97085       4.889026      34.71414       7.445828      45.22756       6.335684      58.58305 6.354935 67.03879 4.725387 -8.455742      7.919247 
1 1 1 23 12 15 o 96.65434 3.247286 94.01155       6.276175      93.23225       9.068183      94.79085       8.678535      96.23783 4.711340 97.07085 4.470206 -0.8330231     6.494573 
1 1 1 23 12 16 o 148.7848 2.675354 222.3830       7.934660      213.6691       11.91616      231.0970       10.48509      145.8169 4.086001 151.7528 3.454660 -5.935913      5.350708 
1 1 1 23 12 17 o 61.60506 4.048873 38.37683       4.982541      37.83841       7.559181      38.90817       6.492253      61.11958 6.183928 62.09054 5.228053 -0.9709663     8.097746 
1 1 1 23 12 18 o 112.6944 2.941719 128.0172       6.687785      139.2816       10.60552      116.7529       8.147196      117.6034 4.509020 107.7854 3.779360 9.818031       5.883437 
1 1 1 23 12 19 o 65.03058 3.905494 42.76923       5.060471      41.23898       7.715039      44.29949       6.553179      63.79626 6.046623 66.26489 4.944684 -2.468628      7.810989 
1 1 1 23 12 20 o 112.4138 3.009287 127.3796       6.720373      119.6575       10.26547      135.1018       8.678535      108.9133 4.712677 115.9142 3.743516 -7.000885      6.018574 
1 1 1 23 12 21 o 58.81511 4.706455 35.89725       5.550012      45.55345       8.678535      26.23397       6.920866      66.90464 6.485749 50.72557 6.821870 16.17907       9.412910 
1 1 1 23 12 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 12 23 o 29.34811 6.136083 8.182618       4.482375      15.87640       6.527675      0.4869898      6.145111      38.34293 8.708583 20.35328 8.646770 17.98965       12.27217 
1 1 1 23 12 24 o 124.3423 2.585963 155.8594       6.426365      148.1373       9.089437      163.6524       9.082352      121.2225 3.749071 127.4621 3.562765 -6.239616      5.171926 
1 1 1 23 12 25 o 50.08717 4.392705 25.73805       4.398777      25.19254       6.261296      26.27648       6.180533      49.53780 6.319716 50.63655 6.102839 -1.098743      8.785411 
1 1 1 23 12 26 o 50.56550 4.345065 26.29065       4.393818      26.72280       6.201787      25.86557       6.225166      50.99201 6.081136 50.13898 6.207910 0.8530273      8.690130 
1 1 1 23 12 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 12 28 o 60.15717 3.730208 37.22206       4.473873      33.98443       6.338518      40.45968       6.315140      57.46324 5.515281 62.85109 5.023890 -5.387844      7.460415 
1 1 1 23 12 29 o 49.43145 4.312660 25.55386       4.231582      22.69880       6.096227      28.41600       5.870940      46.50050 6.555013 52.36241 5.606064 -5.861908      8.625320 
1 1 1 23 12 30 o 72.61732 3.287375 54.52953       4.774965      57.85217       6.922283      51.19981       6.579392      74.84660 4.624313 70.38805 4.673657 4.458549       6.574750 
1 1 1 23 12 31 o 51.03808 4.519465 27.75006       4.612730      27.53044       6.613398      27.96968       6.431325      50.77643 6.512271 51.29973 6.268381 -0.5233002     9.038931 
1 1 1 23 12 32 o 45.85176 11.57875 33.61604       10.62678      33.61604       10.62678      ?              ?             45.85176 11.57875 ?        ?        ?              ?        
1 1 1 23 12 33 o 38.27493 5.710098 17.64045       4.237958      16.68404       6.241460      18.59686       5.734918      36.74113 8.631025 39.80872 7.478389 -3.067585      11.42020 
1 1 1 23 12 34 o 57.15295 3.989132 36.28690       4.603519      44.34908       7.268716      28.22472       5.647778      63.51045 5.722456 50.79545 5.559334 12.71500       7.978264 
1 1 1 23 12 35 o 52.49837 4.013958 30.92392       4.205369      29.63454       6.086309      32.21330       5.803638      51.11899 5.953080 53.87774 5.385932 -2.758747      8.027916 
1 1 1 23 12 36 o 23.07415 5.703025 6.400154       3.764004      0.4808970      5.258129      12.31998       5.387067      16.61973 7.491366 29.52857 8.601013 -12.90884      11.40605 
1 1 1 23 13 0  o 51.97734 6.593438 28.39475       6.675741      28.39475       6.675741      28.39475       6.675741      51.97734 6.593438 51.97734 6.593438 0.000000       0.000000 
1 1 1 23 13 1  o 29.92484 6.559151 8.522675       4.593602      4.637525       6.884026      12.40499       6.083476      25.50474 9.716804 34.34493 8.813261 -8.840195      13.11830 
1 1 1 23 13 2  o 44.86187 5.639707 20.67971       4.950661      20.94184       7.523758      20.41758       6.436993      44.73443 8.720476 44.98931 7.153914 -0.2548752     11.27941 
1 1 1 23 13 3  o 144.2589 3.813371 0.000000       0.000000      ?              ?             208.6391       11.00226      ?        ?        144.2589 3.813371 ?              ?        
1 1 1 23 13 4  o 67.43520 3.829192 45.78015       5.099436      42.35125       8.147196      49.20906       6.134484      64.84406 6.282145 70.02633 4.380126 -5.182266      7.658384 
1 1 1 23 13 5  o 153.0723 2.779858 235.0643       8.465999      227.4130       13.58811      242.7156       10.10252      150.5084 4.514068 155.6362 3.245556 -5.127792      5.559716 
1 1 1 23 13 6  o 89.88918 3.232305 81.11773       5.827724      83.03055       9.358648      79.27575       6.949912      90.87835 5.148998 88.90001 3.908836 1.978340       6.464610 
1 1 1 23 13 7  o 179.8180 2.746835 324.4001       9.882903      329.2175       14.24696      319.5826       13.69437      181.1462 3.932450 178.4899 3.836176 2.656296       5.493670 
1 1 1 23 13 8  o 26.71687 6.384265 6.823099       4.135233      9.493254       6.481626      4.150819       5.135567      30.57939 9.558093 22.85435 8.466299 7.725037       12.76853 
1 1 1 23 13 9  o 81.15492 2.845901 66.11272       4.618397      67.23208       6.519173      64.99337       6.543969      81.84514 3.982627 80.46471 4.066360 1.380432       5.691802 
1 1 1 23 13 10 o 25.02895 5.934043 5.441618       3.747710      9.124859       5.277257      1.759794       5.322598      29.59732 8.478080 20.46057 8.305037 9.136747       11.86809 
1 1 1 23 13 11 o 102.1500 2.617012 104.9217       5.338893      114.8400       7.700871      95.00338       7.396237      106.9980 3.598604 97.30190 3.800664 9.696129       5.234024 
1 1 1 23 13 12 o 21.63431 5.964534 2.762254       3.778173      4.425699       5.294260      1.098809       5.392026      23.34188 8.605839 19.92674 8.260882 3.415140       11.92907 
1 1 1 23 13 13 o 121.7401 2.730822 148.8457       6.645986      147.9247       10.10252      149.7667       8.636027      121.3211 4.163548 122.1591 3.534747 -0.8379745     5.461645 
1 1 1 23 13 14 o 137.9176 2.473333 191.1403       6.817431      177.8214       9.450747      204.4592       9.833311      133.0991 3.550268 142.7362 3.444575 -9.637146      4.946665 
1 1 1 23 13 15 o 29.35030 6.975887 8.543928       5.079599      3.621605       5.651320      13.46767       8.444746      22.81747 8.771723 35.88312 10.84937 -13.06565      13.95177 
1 1 1 23 13 16 o 148.3893 2.667855 221.2495       7.913406      218.4865       11.90907      224.0125       10.41424      147.4113 4.039403 149.3673 3.486119 -1.955963      5.335711 
1 1 1 23 13 17 o 65.60532 3.803868 43.48477       4.998836      44.55453       7.516674      42.41501       6.588602      66.37686 5.662118 64.83379 5.081149 1.543076       7.607737 
1 1 1 23 13 18 o 124.7212 2.814543 156.4261       7.002337      151.3961       10.52051      161.5270       9.245295      122.6459 4.288976 126.7964 3.645724 -4.150505      5.629086 
1 1 1 23 13 19 o 40.83413 6.172334 17.56960       4.981833      13.85023       7.637110      21.28897       6.400862      35.96913 10.16588 45.69913 7.003264 -9.730003      12.34467 
1 1 1 23 13 20 o 179.5218 2.804046 324.3292       10.06710      322.7706       15.45133      325.8878       12.89382      178.9857 4.316360 180.0579 3.580467 -1.072174      5.608093 
1 1 1 23 13 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 13 22 o 71.17886 4.303847 51.71698       6.119606      51.23523       9.401155      52.19873       7.835476      70.70750 6.647920 71.65022 5.467866 -0.9427261     8.607695 
1 1 1 23 13 23 f 46.68659 6.148609 23.10970       5.550720      21.33857       9.153197      24.88791       6.281133      44.03563 10.52152 49.33755 6.365469 -5.301926      12.29722 
1 1 1 23 13 24 o 108.8238 3.044780 119.8700       6.639610      122.2788       10.23713      117.3905       8.451830      109.8252 4.660647 107.8225 3.919326 2.002701       6.089561 
1 1 1 23 13 25 o 17.40240 5.505377 -5.496169      4.427115      -12.49709      6.828767      1.501918       5.637151      14.44655 7.067005 20.35824 8.443586 -5.911697      11.01075 
1 1 1 23 13 26 o 26.76027 6.054832 6.760755       4.069347      11.93741       5.691702      1.586223       5.818514      32.92692 8.563590 20.59363 8.562062 12.33329       12.10966 
1 1 1 23 13 27 o 59.88487 3.929873 36.96701       4.705537      37.59754       6.616940      36.34358       6.692744      60.41887 5.475888 59.35088 5.638286 1.067997       7.859747 
1 1 1 23 13 28 o 129.4335 2.564033 170.0993       6.636068      178.4590       9.507423      161.7395       9.259464      132.6377 3.583982 126.2293 3.667715 6.408371       5.128066 
1 1 1 23 13 29 o 51.59362 4.308928 28.50101       4.300302      19.90749       5.975082      37.09454       6.185493      43.30561 6.898740 59.88164 5.164765 -16.57603      8.617855 
1 1 1 23 13 30 o 52.91720 4.216256 29.54244       4.457579      32.08578       6.434867      27.00618       6.169907      55.25787 5.822580 50.57653 6.099575 4.681339       8.432511 
1 1 1 23 13 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 13 32 o 26.99350 6.574285 8.600604       4.313763      8.303054       6.210997      8.905238       5.987126      26.63900 9.369644 27.34799 9.224676 -0.7089844     13.14857 
1 1 1 23 13 33 o 47.94355 4.387451 25.31298       4.215996      27.68630       6.296011      22.93967       5.608813      50.14523 6.277778 45.74188 6.130938 4.403343       8.774901 
1 1 1 23 13 34 f 70.21499 3.307433 52.85050       4.646027      53.82108       6.735959      51.87992       6.400862      70.77740 4.758552 69.65257 4.594850 1.124832       6.614867 
1 1 1 23 13 35 o 24.55759 5.699939 7.389152       3.736375      13.54560       5.506087      1.239082       5.051970      31.79421 8.494462 17.32097 7.602719 14.47325       11.39988 
1 1 1 23 14 0  o 83.33086 5.563859 70.57597       9.188620      70.57597       9.188620      70.57597       9.188620      83.33086 5.563859 83.33086 5.563859 0.000000       0.000000 
1 1 1 23 14 1  o 175.8256 3.231530 310.5144       11.36357      301.0920       15.79139      319.9368       16.35107      173.1590 4.559795 178.4922 4.580330 -5.333267      6.463060 
1 1 1 23 14 2  o 92.98398 3.687360 87.84802       6.806097      105.3468       9.989170      70.28550       9.245295      102.3911 4.877948 83.57684 5.531015 18.81428       7.374721 
1 1 1 23 14 3  o 82.35349 4.021818 69.49203       6.573724      51.10062       8.593520      87.91887       9.946663      71.21613 6.033409 93.49085 5.319592 -22.27473      8.043636 
1 1 1 23 14 4  o 32.74077 5.592565 10.50634       4.186950      18.31348       5.480583      2.695659       6.331434      42.60684 6.431577 22.87470 9.151062 19.73214       11.18513 
1 1 1 23 14 5  o 36.41852 5.836719 14.23280       4.225206      9.797889       5.397694      18.66062       6.500753      30.60322 8.513333 42.23382 7.987007 -11.63060      11.67344 
1 1 1 23 14 6  o 68.22746 3.508079 46.80741       4.792676      46.28316       6.067889      47.33875       7.417490      67.87840 4.469676 68.57651 5.408186 -0.6981049     7.016159 
1 1 1 23 14 7  o 83.98817 3.119629 71.05771       5.180908      78.92152       6.859231      63.22224       7.764632      88.68409 3.867227 79.29224 4.896211 9.391846       6.239257 
1 1 1 23 14 8  o 176.9116 2.587533 313.9858       9.167366      308.5307       11.77447      319.4409       14.05568      175.4187 3.356104 178.4045 3.939274 -2.985794      5.175066 
1 1 1 23 14 9  o 84.78150 3.103419 72.26208       5.245378      74.45828       6.675033      69.98795       8.090520      86.13619 3.874697 83.42681 4.848873 2.709381       6.206839 
1 1 1 23 14 10 o 92.56505 3.280622 86.21858       6.026091      90.18591       7.204955      82.18040       9.663282      94.79663 3.800217 90.33347 5.348672 4.463158       6.561245 
1 1 1 23 14 11 o 56.29966 3.955508 32.46126       4.351311      40.47385       6.174866      24.44867       6.133776      63.41414 4.868682 49.18517 6.235392 14.22897       7.911016 
1 1 1 23 14 12 o 42.87271 5.026717 19.16362       4.157195      23.21597       6.006254      15.10419       5.749794      47.90603 6.268787 37.83939 7.859633 10.06664       10.05343 
1 1 1 23 14 13 o 214.4392 2.501960 461.5563       10.73304      462.4065       15.20337      460.7062       15.14670      214.6359 3.541666 214.2425 3.534943 0.3934631      5.003921 
1 1 1 23 14 14 o 133.2078 2.488665 178.1048       6.629692      181.0094       9.436578      175.2001       9.316141      134.2949 3.513379 132.1206 3.525619 2.174286       4.977331 
1 1 1 23 14 15 o 169.7311 2.805187 289.6859       9.521592      297.9040       13.38974      281.4679       13.53143      172.1568 3.888820 167.3055 4.043929 4.851364       5.610373 
1 1 1 23 14 16 o 80.09550 3.287292 64.95794       5.290718      55.88268       6.799012      74.03321       8.111773      74.48369 4.564095 85.70731 4.732252 -11.22363      6.574585 
1 1 1 23 14 17 o 129.6198 2.525573 168.8241       6.546803      162.5188       9.075267      175.1293       9.443663      127.1992 3.567345 132.0405 3.576048 -4.841301      5.051145 
1 1 1 23 14 18 o 39.18969 5.559862 16.59194       4.284008      9.294888       5.962330      23.88899       6.152903      29.88741 9.132293 48.49197 6.344250 -18.60457      11.11972 
1 1 1 23 14 19 o 92.01807 6.236243 87.42295       10.84640      76.86702       20.07044      98.04973       8.218040      85.35617 11.75688 98.67998 4.163986 -13.32381      12.47249 
1 1 1 23 14 20 o 38.85168 7.364609 16.71946       5.961622      21.45192       9.542846      11.97992       7.148279      44.20447 10.85808 33.49890 9.952486 10.70557       14.72922 
1 1 1 23 14 21 o 56.48264 5.741874 33.14846       6.507838      35.50760       9.882903      30.79640       8.473083      58.40402 8.460807 54.56126 7.764743 3.842754       11.48375 
1 1 1 23 14 22 o 103.9633 3.258968 109.3850       6.731709      103.0089       10.29380      115.8319       8.678535      100.7793 5.107101 107.1473 4.049816 -6.367943      6.517937 
1 1 1 23 14 23 o 86.01921 3.906731 75.45012       6.608438      69.13072       10.67637      81.82619       7.792970      82.09363 6.502556 89.94479 4.332085 -7.851166      7.813462 
1 1 1 23 14 24 o 62.82523 4.343431 40.65096       5.354478      35.30215       8.196787      46.00686       6.889693      58.42984 7.014212 67.22063 5.124687 -8.790783      8.686863 
1 1 1 23 14 25 o 30.43328 6.745059 9.812057       4.658779      8.621859       7.219123      10.99517       5.895736      29.17359 10.11670 31.69297 8.923881 -2.519386      13.49012 
1 1 1 23 14 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 14 27 o 79.93964 3.549214 65.86476       5.721456      75.66265       8.919409      56.10229       7.162447      85.83656 5.195577 74.04272 4.836699 11.79383       7.098427 
1 1 1 23 14 28 o 55.69318 4.041751 32.39750       4.467497      27.20455       6.214540      37.58337       6.419991      51.06819 6.084550 60.31816 5.321772 -9.249973      8.083502 
1 1 1 23 14 29 o 55.63509 4.044946 32.86508       4.436325      39.79374       6.390234      25.93642       6.155738      61.81055 5.169211 49.45964 6.222991 12.35091       8.089892 
1 1 1 23 14 30 o 16.54068 5.395889 -4.292510      4.278340      -0.2762962     6.101895      -8.310139      5.999878      18.84352 8.309718 14.23784 6.885569 4.605679       10.79178 
1 1 1 23 14 31 o 28.39535 7.200801 11.42733       5.408321      8.154280       7.927575      14.70746       7.360813      25.03745 10.14666 31.75325 10.22015 -6.715796      14.40160 
1 1 1 23 14 32 o 25.04893 6.256130 7.212039       4.059429      4.757962       6.007671      9.663282       5.461455      22.24309 8.907506 27.85476 8.787093 -5.611673      12.51226 
1 1 1 23 14 33 o 31.65586 5.836793 12.83715       4.018339      19.17071       6.059388      6.500045       5.280091      39.80298 7.892304 23.50875 8.601404 16.29423       11.67359 
1 1 1 23 14 34 o 33.28622 5.889967 14.38866       3.917030      14.99793       5.678241      13.78647       5.397694      33.94440 8.399034 32.62804 8.259727 1.316357       11.77993 
1 1 1 23 14 35 o 27.96636 5.928795 10.93850       3.805095      15.18212       5.510338      6.703371       5.249628      33.50114 8.264472 22.43157 8.502997 11.06957       11.85759 
1 1 1 23 15 0  o 117.0283 4.812127 138.0064       11.22188      138.0064       11.22188      138.0064       11.22188      117.0283 4.812127 117.0283 4.812127 0.000000       0.000000 
1 1 1 23 15 1  o 90.12636 2.944129 81.54280       5.314805      78.42561       7.141194      84.73083       7.870899      88.39462 4.039383 91.85811 4.284271 -3.463493      5.888259 
1 1 1 23 15 2  f 137.9679 2.687246 191.8487       7.410406      217.0696       10.95975      166.5570       9.982086      147.0997 3.725279 128.8362 3.873945 18.26352       5.374491 
1 1 1 23 15 3  o 121.9080 2.951873 149.2708       7.162447      153.0964       8.529759      145.3743       11.51943      123.5625 3.451598 120.2535 4.789644 3.308990       5.903746 
1 1 1 23 15 4  o 153.1424 2.851826 235.4185       8.721042      237.7564       10.24421      233.0806       14.11236      153.9952 3.326146 152.2895 4.633399 1.705750       5.703651 
1 1 1 23 15 5  o 145.3266 2.858945 212.1813       8.395153      199.1458       9.401155      225.2877       13.90691      140.9354 3.335272 149.7178 4.644375 -8.782394      5.717889 
1 1 1 23 15 6  o 37.20618 6.338198 14.48784       4.768589      16.12436       5.515297      12.85132       7.778800      39.29767 7.290693 35.11468 10.36999 4.182991       12.67640 
1 1 1 23 15 7  o 94.30347 3.035137 89.40662       5.686034      95.00338       7.339560      83.80984       8.685618      97.30495 3.771422 91.30199 4.756533 6.002960       6.070274 
1 1 1 23 15 8  o 155.0020 2.808139 241.3695       8.706873      254.2634       12.57502      228.4757       12.04368      159.1482 3.950727 150.8559 3.991784 8.292282       5.616279 
1 1 1 23 15 9  o 109.6339 2.794224 120.7910       6.154321      113.0689       7.828392      128.5840       9.500339      106.1403 3.687757 113.1275 4.198952 -6.987198      5.588447 
1 1 1 23 15 10 o 102.6396 3.226499 105.9844       6.621899      105.8427       7.849646      106.1261       10.66928      102.6627 3.823027 102.6165 5.198621 0.4621887E-01  6.452999 
1 1 1 23 15 11 o 116.2674 2.831804 136.1644       6.642444      122.7747       8.140111      149.5542       10.49926      110.5799 3.680646 121.9548 4.304567 -11.37492      5.663608 
1 1 1 23 15 12 o 90.57705 3.161608 82.60548       5.745543      78.77983       7.374983      86.36028       8.813140      88.53210 4.165146 92.62199 4.757585 -4.089890      6.323216 
1 1 1 23 15 13 o 138.8409 2.690757 193.9741       7.523758      177.4672       9.323226      210.4810       11.81698      132.9685 3.505803 144.7132 4.082895 -11.74474      5.381513 
1 1 1 23 15 14 o 24.41613 6.925673 3.448743       5.318347      2.993209       5.248210      3.903569       9.252379      21.55757 8.418612 27.27470 10.99940 -5.717131      13.85135 
1 1 1 23 15 15 o 91.93729 3.466788 85.22675       6.375357      84.37660       8.905238      86.07689       9.124859      91.48421 4.867090 92.39037 4.938209 -0.9061508     6.933576 
1 1 1 23 15 16 o 160.4245 2.930156 259.0808       9.401155      272.8248       13.59519      245.4077       12.99301      164.6748 4.127890 156.1741 4.159782 8.500717       5.860312 
1 1 1 23 15 17 o 99.15976 3.223246 99.25409       6.419991      106.0552       9.840395      92.45296       8.246379      102.5173 4.799384 95.80223 4.303855 6.715050       6.446492 
1 1 1 23 15 18 o 128.4511 2.989749 166.4153       7.644195      154.3716       11.25730      178.3882       10.33631      123.7384 4.548830 133.1639 3.881050 -9.425453      5.979498 
1 1 1 23 15 19 o 70.46304 4.627863 50.73223       6.551054      53.88484       10.12378      47.57962       8.317224      72.55717 6.976414 68.36891 6.082607 4.188255       9.255726 
1 1 1 23 15 20 o 67.23772 7.955075 0.000000       0.000000      ?              ?             46.85700       10.69762      ?        ?        67.23772 7.955075 ?              ?        
1 1 1 23 15 21 o 19.82484 6.189753 -1.902902      4.878399      1.008127       7.417490      -4.813930      6.339226      22.58838 9.543354 17.06130 7.885211 5.527081       12.37951 
1 1 1 23 15 22 o 43.40412 6.685635 19.54619       6.258463      8.189702       11.00226      30.90975       5.965872      31.68804 12.22720 55.12020 5.411694 -23.43216      13.37127 
1 1 1 23 15 23 o 40.99324 6.827911 17.49876       6.088435      11.16520       10.70471      23.83940       5.808597      33.74746 12.25697 48.23901 6.020641 -14.49155      13.65582 
1 1 1 23 15 24 o 113.2451 3.436355 130.7094       7.885069      138.6440       13.75105      122.7038       7.715039      116.2255 5.915676 110.2647 3.498416 5.960777       6.872710 
1 1 1 23 15 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 15 26 f 31.86541 7.524500 11.49817       5.822057      15.86224       9.967916      7.134109       6.012630      37.17752 11.88585 26.55331 9.230330 10.62421       15.04900 
1 1 1 23 15 27 o 23.54398 6.941098 3.151902       5.565597      7.516674       9.472000      -1.214286      5.843310      28.92914 11.30726 18.15882 8.053644 10.77032       13.88220 
1 1 1 23 15 28 o 53.50591 6.075318 32.02202       5.992085      26.64487       9.996255      37.40625       6.605605      47.12847 10.82674 59.88335 5.515393 -12.75488      12.15064 
1 1 1 23 15 29 o 19.86550 6.359713 -4.346352      5.981458      -9.684536      10.37882      0.9939578      5.943910      19.91826 9.495222 19.81273 8.463129 0.1055298      12.71943 
1 1 1 23 15 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 15 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 15 32 o 25.10032 6.482972 7.268716       4.327223      6.713289       6.800429      7.828392       5.353770      24.66220 9.592857 25.53843 8.723117 -0.8762379     12.96594 
1 1 1 23 15 33 o 21.51395 5.729390 3.992834       3.788092      -0.8756464     5.535134      8.862731       5.172406      16.73569 7.601882 26.29221 8.574090 -9.556520      11.45878 
1 1 1 23 15 34 o 27.20315 6.108156 10.07418       3.978665      14.41699       5.783092      5.724998       5.466414      32.60580 8.702891 21.80049 8.573094 10.80531       12.21631 
1 1 1 23 16 0  o 179.3023 3.394786 322.2747       12.16412      322.2747       12.16412      322.2747       12.16412      179.3023 3.394786 179.3023 3.394786 0.000000       0.000000 
1 1 1 23 16 1  o 87.42345 2.853184 76.72533       4.987500      77.71716       7.016507      75.73349       7.091603      87.99249 3.986992 86.85440 4.082466 1.138092       5.706368 
1 1 1 23 16 2  o 212.0437 2.465376 451.3546       10.46383      478.2050       15.33798      424.4334       14.23988      218.3607 3.512074 205.7267 3.460874 12.63406       4.930751 
1 1 1 23 16 3  o 143.5091 2.575070 206.6554       7.410406      199.8542       9.620775      213.4565       11.26438      141.1750 3.407393 145.8431 3.861816 -4.668060      5.150140 
1 1 1 23 16 4  o 67.30914 3.428947 45.56762       4.618397      44.97960       6.176991      46.14855       6.868440      66.89516 4.616920 67.72311 5.070972 -0.8279572     6.857893 
1 1 1 23 16 5  o 38.57246 5.443202 15.78431       4.080682      21.97617       5.533009      9.585353       5.999878      46.67564 5.927084 30.46929 9.131454 16.20635       10.88640 
1 1 1 23 16 6  o 106.6880 2.682296 114.3441       5.737042      109.1724       7.552096      119.4450       8.636027      104.3076 3.620108 109.0683 3.958998 -4.760727      5.364592 
1 1 1 23 16 7  o 74.82835 3.314267 56.33609       4.962705      55.64180       6.604187      57.03037       7.410406      74.39059 4.438859 75.26611 4.922804 -0.8755264     6.628534 
1 1 1 23 16 8  o 116.3923 2.679531 136.0936       6.249253      132.9764       8.026759      139.1399       9.578268      115.1113 3.486522 117.6734 4.069854 -2.562088      5.359062 
1 1 1 23 16 9  o 74.18487 4.235563 56.32192       6.393777      68.71983       10.37173      43.92401       7.481250      82.41096 6.292691 65.95878 5.671156 16.45218       8.471126 
1 1 1 23 16 10 o 68.58999 3.915487 47.57962       5.379983      52.00036       7.998421      43.15180       7.197870      71.78235 5.571301 65.39763 5.503159 6.384720       7.830973 
1 1 1 23 16 11 o 46.76594 5.105073 22.21705       4.782758      23.10261       7.148279      21.33148       6.356938      47.67050 7.497591 45.86138 6.930600 1.809116       10.21015 
1 1 1 23 16 12 o 39.76743 6.658416 16.12436       5.667614      9.358648       9.323226      22.89008       6.444077      32.04908 11.45854 47.48577 6.785272 -15.43670      13.31683 
1 1 1 23 16 13 o 92.05553 3.231671 85.86436       5.861022      72.82884       8.614774      98.89986       7.948828      84.94837 5.070594 99.16267 4.007975 -14.21430      6.463341 
1 1 1 23 16 14 o 57.41559 5.188035 35.15338       5.519547      48.06137       8.005506      22.24539       7.601687      68.93481 5.806577 45.89637 8.599216 23.03844       10.37607 
1 1 1 23 16 15 o 66.13377 4.070679 44.35616       5.334641      40.41718       8.033843      48.29516       7.020757      63.10229 6.365731 69.16525 5.075350 -6.062965      8.141357 
1 1 1 23 16 16 o 97.46227 3.881755 96.27859       7.438744      87.91887       12.07910      104.6383       8.671450      92.99471 6.494511 101.9298 4.253637 -8.935104      7.763511 
1 1 1 23 16 17 f 26.46704 6.897457 5.430283       4.979708      2.681490       7.431659      8.175533       6.628275      24.09767 9.802674 28.83640 9.706039 -4.738726      13.79491 
1 1 1 23 16 18 o 25.06841 7.121637 2.799093       5.681783      7.608772       8.579351      -2.013420      7.452912      29.55504 10.94391 20.58179 9.116016 8.973255       14.24327 
1 1 1 23 16 19 o 66.10742 5.809451 46.06353       7.445828      34.52994       10.72596      57.60422       10.32214      57.33508 9.353750 74.87977 6.892478 -17.54469      11.61890 
1 1 1 23 16 20 o 62.24272 4.759415 39.71581       5.894319      37.80299       8.961915      41.62154       7.658363      60.59083 7.395438 63.89461 5.992966 -3.303776      9.518830 
1 1 1 23 16 21 o 58.79910 4.563600 35.41550       5.365814      35.41550       8.048012      35.41550       7.098687      58.70969 6.854074 58.88851 6.027225 -0.1788177     9.127200 
1 1 1 23 16 22 o 35.72433 6.902044 14.02026       5.076765      14.79247       7.155363      13.25513       7.204955      36.67260 9.631577 34.77607 9.888658 1.896534       13.80409 
1 1 1 23 16 23 o 65.09833 4.045686 43.47768       5.287176      47.16164       8.019674      39.80082       6.891110      67.80607 5.913685 62.39059 5.522556 5.415478       8.091372 
1 1 1 23 16 24 o 25.27979 8.086950 -4.409404      9.280719      -9.202788      16.20229      0.3836267      9.054014      26.78086 12.46470 23.77872 10.30662 3.002144       16.17390 
1 1 1 23 16 25 o 76.55127 4.796504 61.58572       6.953454      50.43468       11.60444      72.75800       7.665448      68.65308 8.451508 84.44946 4.538483 -15.79638      9.593008 
1 1 1 23 16 26 o 86.97262 4.086904 79.55913       7.360813      97.55381       12.57502      61.63530       7.644195      96.49108 6.516156 77.45415 4.934658 19.03693       8.173808 
1 1 1 23 16 27 o 26.92233 6.900071 5.196494       5.545053      -0.6364731     9.054014      11.03059       6.402279      22.70790 10.05395 31.13675 9.453153 -8.428843      13.80014 
1 1 1 23 16 28 o 42.42483 6.850549 20.70805       6.077100      16.25897       10.61261      25.15004       5.925491      36.06562 12.28155 48.78403 6.073188 -12.71840      13.70110 
1 1 1 23 16 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 16 30 o 27.99273 7.028557 7.240376       6.147944      2.846559       10.95267      11.63278       5.588267      24.98657 11.06102 30.99889 8.675038 -6.012320      14.05711 
1 1 1 23 16 31 o 28.79200 6.591460 10.69054       4.478832      15.11128       7.219123      6.264839       5.300636      33.99137 9.974660 23.59262 8.619487 10.39876       13.18292 
1 1 1 23 16 32 o 34.62566 6.071618 15.16795       4.310929      12.78755       6.794053      17.54127       5.309138      30.69581 9.812705 38.55551 7.153251 -7.859695      12.14324 
1 1 1 23 16 33 o 17.13488 5.315717 -0.7977167     3.866021      -5.238293      6.033175      3.642859       4.836601      14.81022 7.102667 19.45954 7.910722 -4.649322      10.63143 
1 1 1 23 16 34 o 22.15234 6.291031 6.527675       4.276924      6.798304       6.507129      6.257046       5.553554      22.46228 9.160861 21.84240 8.624785 0.6198845      12.58206 
1 1 1 23 17 0  o 20.32023 10.54756 6.159280       5.490501      6.159280       5.490501      6.159280       5.490501      20.32023 10.54756 20.32023 10.54756 0.000000       0.000000 
1 1 1 23 17 1  o 95.57860 2.787842 92.09874       5.314805      103.0797       7.672533      81.04688       7.353730      101.3332 3.785794 89.82401 4.093410 11.50919       5.575684 
1 1 1 23 17 2  o 41.40441 5.105487 17.68296       4.135942      19.17779       5.948161      16.18812       5.749086      43.51625 6.834413 39.29257 7.586489 4.223686       10.21097 
1 1 1 23 17 3  o 74.39667 3.168106 55.66306       4.714038      56.67614       6.730292      54.64997       6.602770      75.07355 4.482465 73.71978 4.478290 1.353775       6.336211 
1 1 1 23 17 4  f 98.40096 2.705980 97.27043       5.325432      97.97889       7.502505      96.49113       7.559181      98.78049 3.797564 98.02142 3.855882 0.7590714      5.411961 
1 1 1 23 17 5  o 102.1626 2.861766 105.0634       5.788051      96.84536       8.983169      113.2106       7.297054      98.10860 4.578176 106.2166 3.434986 -8.108025      5.723533 
1 1 1 23 17 6  o 29.61072 5.835122 8.218040       4.099811      2.535549       6.466748      13.89982       5.041343      22.82380 9.199314 36.39764 7.181030 -13.57384      11.67024 
1 1 1 23 17 7  o 125.7945 2.746778 158.9766       6.925116      162.5188       10.70471      155.4343       8.784801      127.1470 4.209580 124.4421 3.529675 2.704895       5.493557 
1 1 1 23 17 8  o 131.4468 2.719971 173.5707       7.148279      173.4998       11.10852      173.5707       9.004422      131.3740 4.227823 131.5195 3.423227 -0.1454620     5.439942 
1 1 1 23 17 9  o 80.57198 3.896870 66.20482       6.514922      79.34660       11.27855      53.02053       6.522716      88.54570 6.368775 72.59826 4.492336 15.94744       7.793740 
1 1 1 23 17 10 o 97.19905 3.109685 95.07423       6.033175      93.30310       9.372816      96.84536       7.594603      96.22524 4.870249 98.17287 3.867975 -1.947624      6.219369 
1 1 1 23 17 11 o 142.9948 2.701887 205.7344       7.771716      219.1950       12.21371      192.3447       9.620775      147.6004 4.137425 138.3891 3.475986 9.211227       5.403774 
1 1 1 23 17 12 o 59.24994 4.422650 35.83349       5.102270      29.65579       7.807138      42.01119       6.571599      53.97200 7.232583 64.52789 5.092061 -10.55589      8.845301 
1 1 1 23 17 13 o 48.50080 5.440479 24.79581       4.887609      18.22846       7.523758      31.37024       6.239335      41.29397 9.329225 55.70763 5.600072 -14.41366      10.88096 
1 1 1 23 17 14 o 36.34858 6.510164 14.20446       4.770006      15.65678       7.389152      12.75922       6.030342      38.15017 9.667874 34.54699 8.721304 3.603176       13.02033 
1 1 1 23 17 15 o 74.13419 3.661897 55.53553       5.424615      55.29466       8.543928      55.77641       6.687077      73.87839 5.782428 74.39000 4.494607 -0.5116119     7.323794 
1 1 1 23 17 16 o 51.55534 5.329854 27.84216       5.129191      22.17454       7.970083      33.51685       6.456121      45.59087 9.062772 57.51980 5.612086 -11.92893      10.65971 
1 1 1 23 17 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 17 18 o 193.6899 3.073484 379.3759       11.86657      363.0815       17.77505      395.6703       15.72054      189.3564 4.693544 198.0234 3.969366 -8.666931      6.146969 
1 1 1 23 17 19 o 25.15307 6.797643 2.745251       5.325432      -3.748418      7.885069      9.238212       7.155363      20.12810 9.117748 30.17805 10.08457 -10.04995      13.59529 
1 1 1 23 17 20 o 54.00446 5.876674 30.92392       5.975082      25.87974       9.344479      35.97518       7.445828      48.71018 9.936045 59.29874 6.278234 -10.58856      11.75335 
1 1 1 23 17 21 o 50.51558 6.032307 27.16204       5.855353      25.32715       9.365732      28.99693       7.029967      47.94755 10.08510 53.08361 6.621598 -5.136063      12.06461 
1 1 1 23 17 22 o 115.1439 3.343787 134.7475       7.700871      134.2516       10.70471      135.2434       11.07310      114.9604 4.655825 115.3274 4.800724 -0.3670578     6.687574 
1 1 1 23 17 23 f 26.95150 6.418384 5.204995       4.901778      -2.598601      7.325392      13.00717       6.515631      19.69733 8.862375 34.20567 9.286597 -14.50834      12.83677 
1 1 1 23 17 24 o 35.71826 7.152748 14.59411       5.377149      17.04535       8.154280      12.13578       7.007296      38.55163 10.35430 32.88490 9.870952 5.666737       14.30550 
1 1 1 23 17 25 o 40.46527 5.984335 18.38432       4.824557      25.17129       7.112856      11.59735       6.518465      48.80115 7.287590 32.12939 9.494215 16.67176       11.96867 
1 1 1 23 17 26 o 27.79129 6.468464 7.792970       4.578016      13.78647       6.822391      1.801593       6.106854      34.67996 9.541683 20.90262 8.736156 13.77734       12.93693 
1 1 1 23 17 27 o 34.58775 6.675097 14.29656       4.945702      19.89333       7.474166      8.699788       6.480917      41.25788 9.282765 27.91762 9.594685 13.34026       13.35019 
1 1 1 23 17 28 o 53.87940 6.843376 34.18280       7.176617      35.87600       12.19954      32.49669       7.573349      53.03582 11.80867 54.72299 6.919715 -1.687176      13.68675 
1 1 1 23 17 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 17 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 17 31 o 50.32577 6.563073 31.63946       6.264839      28.57895       10.39299      34.70705       7.000920      44.79959 11.53323 55.85194 6.267393 -11.05235      13.12615 
1 1 1 23 17 32 o 20.33453 6.299642 0.8288886E-01  5.547885      -5.078182      9.266549      5.243960       6.106146      18.62724 8.901675 22.04182 8.916396 -3.414577      12.59928 
1 1 1 23 17 33 o 17.31610 5.597326 -0.3290759     4.373273      -0.2928031     6.531217      -0.3654194     5.818514      17.70830 8.110950 16.92389 7.715745 0.7844048      11.19465 
1 1 1 23 18 0  o 195.2732 3.450825 382.3514       13.46767      382.3514       13.46767      382.3514       13.46767      195.2732 3.450825 195.2732 3.450825 0.000000       0.000000 
1 1 1 23 18 1  o 61.91710 3.559902 38.82316       4.390984      33.30432       6.042386      44.34200       6.373232      57.47286 5.256729 66.36133 4.801918 -8.888466      7.119804 
1 1 1 23 18 2  o 92.31471 2.932649 85.72267       5.450828      90.32761       8.770633      81.11773       6.475958      94.73810 4.628884 89.89132 3.602104 4.846779       5.865298 
1 1 1 23 18 3  o 73.57683 3.428605 54.53662       5.014421      52.37584       8.012589      56.69031       6.026799      72.04037 5.561181 75.11328 4.011807 -3.072914      6.857210 
1 1 1 23 18 4  o 61.94217 3.898620 38.70980       4.831641      38.90817       7.729208      38.51852       5.799386      62.02158 6.231065 61.86277 4.687300 0.1588135      7.797240 
1 1 1 23 18 5  o 105.0084 2.905322 110.8727       6.134484      115.8319       9.804973      105.9135       7.374983      107.2967 4.569091 102.7201 3.589845 4.576668       5.810644 
1 1 1 23 18 6  o 110.8767 2.892995 123.5540       6.395194      121.2869       10.27255      125.8210       7.622942      109.7753 4.678898 111.9782 3.403762 -2.202850      5.785990 
1 1 1 23 18 7  o 42.89785 5.660784 19.29114       4.615563      14.99084       7.417490      23.58436       5.495461      37.47383 9.789984 48.32186 5.686309 -10.84803      11.32157 
1 1 1 23 18 8  o 38.53201 6.005552 15.80556       4.560304      17.31456       7.353730      14.30364       5.394152      40.25409 9.311999 36.80993 7.586387 3.444157       12.01110 
1 1 1 23 18 9  f 92.54695 3.450132 86.78535       6.337809      74.88335       8.990252      98.68733       8.933578      86.11424 5.219957 98.97966 4.512835 -12.86542      6.900263 
1 1 1 23 18 10 o 94.56731 3.152629 90.04422       5.950995      89.26492       9.564099      90.82352       7.091603      94.06129 5.083972 95.07332 3.729544 -1.012032      6.305257 
1 1 1 23 18 11 o 31.35446 7.278065 10.28672       5.587560      16.25188       9.599521      4.320848       5.724998      39.05516 11.51547 23.65376 8.903646 15.40140       14.55613 
1 1 1 23 18 12 o 70.57068 3.870492 50.83850       5.525924      60.54429       8.777717      41.13271       6.718248      77.34035 5.674733 63.80100 5.265002 13.53936       7.740985 
1 1 1 23 18 13 o 21.36251 6.485011 -0.2097017     4.998127      -1.273796      7.318307      0.8543928      6.808930      20.95656 9.174788 21.76847 9.167592 -0.8119125     12.97002 
1 1 1 23 18 14 o 94.86185 3.356228 90.82352       6.368274      91.17775       9.762465      90.39845       8.182618      94.99352 5.138490 94.73016 4.318909 0.2633591      6.712455 
1 1 1 23 18 15 o 21.44446 6.075943 -4.706954      5.175949      -16.69112      8.140111      7.282885       6.398028      15.31344 7.542619 27.57548 9.527707 -12.26204      12.15189 
1 1 1 23 18 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 18 17 o 127.9466 3.138209 165.5652       8.012589      161.9521       12.31998      169.1074       10.24421      126.4200 4.872639 129.4733 3.956110 -3.053329      6.276418 
1 1 1 23 18 18 o 20.48100 6.250833 -1.580556      4.993877      -5.325432      8.154280      2.164320       5.762547      19.68511 9.035834 21.27690 8.639753 -1.591787      12.50167 
1 1 1 23 18 19 o 113.4472 3.020904 130.1426       6.830184      127.5922       10.98100      132.6222       8.125941      112.1600 4.895240 114.7345 3.541194 -2.574493      6.041807 
1 1 1 23 18 20 o 58.66026 4.875507 36.01060       5.906363      44.27115       10.01751      27.75006       6.262714      65.26678 7.674279 52.05375 6.015623 13.21303       9.751014 
1 1 1 23 18 21 o 119.3710 2.917320 144.4533       7.025717      155.3635       11.26438      133.6140       8.395153      123.7098 4.552745 115.0322 3.649045 8.677605       5.834640 
1 1 1 23 18 22 o 26.73922 7.045436 6.195411       5.146194      4.388151       7.750463      8.005506       6.769256      25.35446 10.13239 28.12398 9.792208 -2.769516      14.09087 
1 1 1 23 18 23 o 23.25831 7.182357 -0.1645025     6.412197      4.339975       10.14503      -4.668697      7.842561      27.33951 11.33242 19.17710 8.827302 8.162407       14.36471 
1 1 1 23 18 24 o 58.39699 4.696592 35.79099       5.316222      30.77514       8.515590      40.79974       6.364731      53.74916 7.921603 63.04481 5.047784 -9.295643      9.393185 
1 1 1 23 18 25 o 24.19602 6.628853 4.729624       4.621940      3.416155       6.734542      6.042386       6.332142      23.08446 9.353339 25.30759 9.395840 -2.223129      13.25771 
1 1 1 23 18 26 o 30.23603 6.837614 10.54176       4.789842      13.89274       7.045553      7.190785       6.492253      34.22228 9.793832 26.24979 9.544251 7.972488       13.67523 
1 1 1 23 18 27 o 46.01881 6.219580 24.15821       5.525216      25.22088       8.203872      23.09553       7.403321      46.88168 9.073372 45.15594 8.509208 1.725739       12.43916 
1 1 1 23 18 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 18 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 18 30 o 44.92595 7.688199 27.24706       6.949204      29.97460       11.33523      24.51952       8.040927      45.65647 12.18332 44.19542 9.380843 1.461052       15.37640 
1 1 1 23 18 31 o 29.47909 7.832562 12.98592       6.328599      15.83390       10.22296      10.13795       7.459997      31.65071 11.90100 27.30746 10.18638 4.343246       15.66512 
1 1 1 23 18 32 o 17.21356 5.891446 -6.908822      6.223749      -8.083434      9.018591      -5.732083      8.579351      17.02883 8.288971 17.39829 8.374336 -0.3694611     11.78289 
1 1 1 23 19 0  o 27.85425 11.14772 10.89599       5.997753      10.89599       5.997753      10.89599       5.997753      27.85425 11.14772 27.85425 11.14772 0.000000       0.000000 
1 1 1 23 19 1  o 122.8857 2.640645 151.8212       6.489419      161.8104       9.379901      141.8320       8.969000      126.9383 3.694670 118.8330 3.773782 8.105225       5.281290 
1 1 1 23 19 2  o 79.74731 3.408571 64.18573       5.345977      58.29142       8.593520      70.08005       6.357646      75.96975 5.655883 83.52486 3.805841 -7.555115      6.817142 
1 1 1 23 19 3  o 84.62455 3.238431 72.12038       5.516006      75.30843       8.983169      68.96069       6.401570      86.40537 5.198270 82.84373 3.863642 3.561646       6.476861 
1 1 1 23 19 4  o 63.45645 4.121460 40.88475       5.107229      35.67764       8.133026      46.08479       6.179825      59.26382 6.861714 67.64909 4.567560 -8.385269      8.242920 
1 1 1 23 19 5  o 91.14850 3.184266 83.73900       5.766089      80.33842       9.202788      87.06872       6.954871      89.21483 5.157657 93.08216 3.735878 -3.867332      6.368532 
1 1 1 23 19 6  o 186.1039 2.635324 348.5583       9.911241      373.9917       16.24480      323.1248       11.36357      192.7743 4.213424 179.4336 3.166511 13.34074       5.270648 
1 1 1 23 19 7  o 87.27507 3.252073 76.93786       5.751920      85.22675       9.372816      68.69857       6.673616      91.90099 5.099410 82.64914 4.037317 9.251854       6.504146 
1 1 1 23 19 8  o 92.63036 3.155478 86.36028       5.865981      88.48563       9.507423      84.30576       6.871274      93.66001 5.075497 91.60070 3.750667 2.059311       6.310956 
1 1 1 23 19 9  o 69.00757 3.739245 48.18181       5.212788      52.39001       8.373900      43.97360       6.206746      71.95670 5.818707 66.05845 4.697919 5.898247       7.478489 
1 1 1 23 19 10 o 98.43762 3.150265 97.69550       6.151486      92.59465       9.762465      102.7963       7.488335      95.75145 5.097816 101.1238 3.702559 -5.372337      6.300529 
1 1 1 23 19 11 o 57.29176 5.597264 34.11195       6.058680      31.34190       10.30089      36.88200       6.378900      54.18482 9.870769 60.39870 5.280660 -6.213875      11.19453 
1 1 1 23 19 12 o 158.3657 2.766056 252.3505       8.742295      247.9581       13.84315      256.6721       10.66928      156.8698 4.412306 159.8616 3.337039 -2.991791      5.532113 
1 1 1 23 19 13 o 71.97858 4.489088 52.78675       6.423533      48.06845       9.344479      57.50503       8.820225      68.66624 6.804275 75.29091 5.857430 -6.624672      8.978176 
1 1 1 23 19 14 o 103.7624 4.172788 110.3768       8.558097      91.10690       12.11453      129.6467       12.07910      94.47423 6.411551 113.0506 5.342344 -18.57637      8.345575 
1 1 1 23 19 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 19 16 o 47.79076 6.214203 24.20071       5.774590      23.30098       9.110690      25.10753       7.098687      46.16694 10.14263 49.41458 7.182786 -3.247639      12.42841 
1 1 1 23 19 17 o 16.68707 5.528302 -8.168448      4.914530      -13.54560      7.778800      -2.793425      6.004128      15.67677 7.642941 17.69737 7.989616 -2.020597      11.05660 
1 1 1 23 19 18 o 105.1228 3.936396 112.7147       8.345562      117.6738       14.37449      107.6847       8.480167      107.0071 6.716604 103.2385 4.107077 3.768608       7.872792 
1 1 1 23 19 19 o 109.4737 3.112346 121.4995       6.835143      125.7502       10.66220      117.1779       8.558097      111.2745 4.790946 107.6729 3.974120 3.601616       6.224692 
1 1 1 23 19 20 o 71.25513 4.119020 52.14914       5.788759      47.19706       8.969000      57.10121       7.318307      67.60523 6.633362 74.90501 4.885058 -7.299782      8.238040 
1 1 1 23 19 21 o 50.18672 5.574099 26.97076       5.334641      23.69063       8.225125      30.25089       6.795470      46.30663 9.208124 54.06682 6.284326 -7.760189      11.14820 
1 1 1 23 19 22 o 27.21067 7.878686 3.759045       7.134109      0.1161152      11.27147      7.403321       8.742295      25.83357 11.34752 28.58778 10.93291 -2.754217      15.75737 
1 1 1 23 19 23 f 73.72677 3.776911 55.96769       5.534425      54.09738       8.813140      57.83800       6.696286      72.16992 6.105826 75.28362 4.447373 -3.113693      7.553823 
1 1 1 23 19 24 o 31.09429 6.715393 10.96683       4.595727      12.80172       7.233293      9.139028       5.675407      33.44682 10.02670 28.74176 8.935959 4.705059       13.43079 
1 1 1 23 19 25 o 40.86147 5.804529 18.79523       4.604228      14.79956       7.091603      22.79089       5.875190      35.37012 9.726600 46.35283 6.337467 -10.98271      11.60906 
1 1 1 23 19 26 o 29.17775 6.697106 8.820225       4.900361      4.556053       7.665448      13.08510       6.108272      24.68261 9.987920 33.67288 8.924480 -8.990271      13.39421 
1 1 1 23 19 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 19 28 o 22.74393 6.952480 2.340725       5.852520      -0.7083809E-02 8.161365      4.688534       8.395153      21.09154 9.426034 24.39632 10.22242 -3.304777      13.90496 
1 1 1 23 19 29 o 20.51986 6.131286 1.974455       4.479541      -0.7127025     6.731709      4.661613       5.912030      18.80669 8.476783 22.23302 8.860858 -3.426327      12.26257 
1 1 1 23 19 30 o 17.88958 5.775508 -3.008086      4.883358      2.663070       6.635359      -8.678535      7.169532      20.54336 8.862604 15.23580 7.408117 5.307556       11.55102 
1 1 1 23 19 31 o 24.34913 6.860613 7.807138       5.216331      13.57394       8.338477      2.033965       6.266964      29.46114 10.80624 19.23712 8.455600 10.22402       13.72123 
1 1 1 23 19 32 o 27.39950 7.639826 13.40391       7.297054      14.98375       13.17720      11.83114       6.276175      26.94353 12.01103 27.85547 9.444734 -0.9119434     15.27965 
1 1 1 23 20 0  o 81.40689 4.750523 67.20374       7.679617      67.20374       7.679617      67.20374       7.679617      81.40689 4.750523 81.40689 4.750523 0.000000       0.000000 
1 1 1 23 20 1  o 86.68546 3.162762 75.66265       5.478457      78.70899       7.764632      72.68716       7.736294      88.42104 4.390715 84.94987 4.553447 3.471169       6.325524 
1 1 1 23 20 2  o 110.7517 2.836043 123.4123       6.281842      127.5213       9.032760      119.2324       8.735210      112.6124 4.010553 108.8910 4.010990 3.721451       5.672087 
1 1 1 23 20 3  o 92.17224 3.107029 85.72267       5.710830      94.15324       8.140111      77.29209       8.012589      96.74075 4.207178 87.60373 4.573201 9.137016       6.214058 
1 1 1 23 20 4  o 67.31540 3.977787 45.80141       5.331100      44.75999       8.685618      46.84283       6.183367      66.42520 6.537895 68.20560 4.532888 -1.780396      7.955573 
1 1 1 23 20 5  o 129.3079 2.805811 168.1864       7.204955      160.3935       11.43441      175.9794       8.770633      126.2059 4.530063 132.4099 3.311924 -6.204033      5.611623 
1 1 1 23 20 6  o 80.33450 3.541651 65.35468       5.790176      73.46645       9.578268      57.27832       6.507129      85.23559 5.618702 75.43341 4.313161 9.802177       7.083303 
1 1 1 23 20 7  o 98.60562 3.158971 97.97889       6.247837      100.0334       10.13795      95.92437       7.304138      99.52866 5.092978 97.68258 3.738711 1.846085       6.317941 
1 1 1 23 20 8  o 59.27586 4.472467 35.82641       5.358021      40.14088       8.515590      31.51194       6.505713      62.78952 6.781061 55.76220 5.833443 7.027313       8.944934 
1 1 1 23 20 9  o 30.78872 6.936532 9.868733       4.888317      12.32706       7.920490      7.410406       5.728541      34.25454 10.53768 27.32291 9.023263 6.931623       13.87306 
1 1 1 23 20 10 o 34.02910 6.917925 12.10036       5.119273      11.23604       8.380984      12.95758       5.879441      33.23471 10.91413 34.82349 8.503670 -1.588779      13.83585 
1 1 1 23 20 11 o 75.95845 4.226421 59.14156       6.140152      47.03411       9.769550      71.27025       7.445828      67.84264 7.200155 84.07426 4.428126 -16.23161      8.452842 
1 1 1 23 20 12 o 40.13867 6.926037 16.18812       6.327891      6.303804       10.27963      26.07811       7.389152      29.87398 11.75376 50.40336 7.330019 -20.52938      13.85207 
1 1 1 23 20 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 20 14 o 103.0590 3.473084 107.9680       7.261631      119.4450       11.93741      96.49113       8.274716      108.3762 5.507394 97.74177 4.232948 10.63446       6.946167 
1 1 1 23 20 15 o 34.28071 6.471989 11.57610       5.195077      4.211038       8.373900      18.93692       6.146527      26.28583 10.52059 42.27559 7.540805 -15.98976      12.94398 
1 1 1 23 20 16 o 40.02632 6.464190 17.30748       5.135567      15.94017       8.281801      18.68187       6.070724      38.09433 10.52678 41.95832 7.505322 -3.863987      12.92838 
1 1 1 23 20 17 o 66.40427 4.513164 46.08479       5.639277      33.19096       8.721042      58.97861       7.155363      56.54600 7.711457 76.26253 4.691271 -19.71653      9.026327 
1 1 1 23 20 18 o 33.02540 6.474163 11.19354       4.927282      4.609187       7.474166      17.78214       6.420699      25.47238 10.02222 40.57842 8.198424 -15.10604      12.94833 
1 1 1 23 20 19 o 42.83715 6.158429 20.01376       5.124940      20.48134       8.055097      19.53910       6.334267      43.01112 9.608651 42.66318 7.705763 0.3479347      12.31686 
1 1 1 23 20 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 20 21 o 73.81917 4.335546 56.59113       6.364731      52.37584       9.358648      60.80642       8.628942      70.85371 6.604205 76.78461 5.618927 -5.930901      8.671093 
1 1 1 23 20 22 o 35.39124 6.801092 14.53743       5.086684      19.65245       8.147196      9.429493       6.095519      41.46547 9.938594 29.31701 9.286751 12.14846       13.60218 
1 1 1 23 20 23 o 82.18761 3.878736 70.09422       6.390944      76.86702       9.592437      63.30725       8.451830      86.12964 5.568604 78.24557 5.400836 7.884071       7.757473 
1 1 1 23 20 24 o 27.26603 7.056751 7.807138       5.030716      7.672533       7.268716      7.948828       6.956996      27.19854 10.07295 27.33351 9.885681 -0.1349716     14.11350 
1 1 1 23 20 25 o 33.54420 7.020753 13.25513       5.095893      15.96142       7.488335      10.54885       6.910948      36.74329 9.946813 30.34511 9.910844 6.398176       14.04151 
1 1 1 23 20 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 20 27 o 28.53024 7.224430 9.705790       5.307012      9.599521       8.345562      9.819141       6.560264      28.53792 10.74844 28.52256 9.656123 0.1536179E-01  14.44886 
1 1 1 23 20 28 o 53.18139 5.279332 32.95009       5.795135      41.19647       9.819141      24.69663       6.163530      59.17863 8.296189 47.18415 6.531356 11.99447       10.55866 
1 1 1 23 20 29 o 37.13969 6.674159 18.13637       5.129899      17.81048       8.458915      18.45517       5.809304      35.14729 10.90574 39.13208 7.696912 -3.984791      13.34832 
1 1 1 23 20 30 o 29.56538 6.752323 12.37665       4.675073      13.38265       7.665448      11.37065       5.355187      29.87165 10.41839 29.25910 8.592586 0.6125546      13.50465 
1 1 1 23 20 31 o 35.43114 6.578739 18.07261       4.961997      16.93200       8.140111      19.20613       5.678241      32.01042 10.75615 38.85187 7.577892 -6.841446      13.15748 
1 1 1 23 21 0  o 117.6015 4.019373 139.2108       9.429493      139.2108       9.429493      139.2108       9.429493      117.6015 4.019373 117.6015 4.019373 0.000000       0.000000 
1 1 1 23 21 1  o 19.61495 6.032103 -1.321263      4.507879      1.174613       6.295302      -3.817847      6.453995      21.29515 8.883106 17.93476 8.163056 3.360392       12.06421 
1 1 1 23 21 2  o 75.87152 3.658049 58.21348       5.548594      61.64239       7.970083      54.78458       7.722124      78.11875 5.101261 73.62430 5.244277 4.494453       7.316099 
1 1 1 23 21 3  o 96.98360 3.174370 95.14508       6.145820      107.1888       8.961915      83.17223       8.409323      103.1502 4.344111 90.81705 4.629815 12.33311       6.348739 
1 1 1 23 21 4  o 83.73543 3.466581 70.98687       5.792302      78.21307       8.317224      63.71815       8.062181      88.05069 4.722975 79.42016 5.075652 8.630531       6.933162 
1 1 1 23 21 5  o 46.64971 5.682889 22.86174       5.128483      18.60394       7.183701      27.11953       7.325392      41.73317 8.872982 51.56625 7.102893 -9.833080      11.36578 
1 1 1 23 21 6  o 84.65736 3.760228 72.61631       6.262714      66.05605       10.03876      79.13406       7.488335      80.66620 6.222409 88.64851 4.223610 -7.982315      7.520456 
1 1 1 23 21 7  o 34.91192 6.531417 12.38374       5.064722      6.405112       8.012589      18.35599       6.196119      28.09432 10.54160 41.72952 7.714420 -13.63520      13.06283 
1 1 1 23 21 8  f 36.30900 7.062963 13.88566       5.468539      11.97992       8.834394      15.79139       6.444786      34.18650 11.20547 38.43150 8.601110 -4.245007      14.12593 
1 1 1 23 21 9  o 76.79086 4.259331 59.96336       6.483750      56.98786       10.41424      62.93886       7.722124      74.67375 6.973160 78.90798 4.893120 -4.234230      8.518661 
1 1 1 23 21 10 o 48.99067 18.78154 24.56911       25.85140      24.56911       25.85140      ?              ?             48.99067 18.78154 ?        ?        ?              ?        
1 1 1 23 21 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 21 12 o 85.48239 4.634245 75.45012       7.835476      61.14647       10.87473      89.83168       11.29272      77.13109 7.049515 93.83370 6.017413 -16.70261      9.268491 
1 1 1 23 21 13 o 75.64163 4.222686 58.34809       6.332142      55.52845       10.15920      61.16772       7.559181      73.57108 6.904343 77.71219 4.863575 -4.141113      8.445373 
1 1 1 23 21 14 o 41.42008 6.576072 18.56852       5.379983      17.84590       8.692703      19.28406       6.346311      40.24669 10.63703 42.59346 7.735141 -2.346771      13.15214 
1 1 1 23 21 15 o 45.41796 5.873634 23.66229       5.367230      36.98118       8.905238      10.34340       5.997045      59.79957 7.445906 31.03635 9.086078 28.76322       11.74727 
1 1 1 23 21 16 o 59.54973 4.683981 36.50652       5.578349      36.76865       8.933578      36.24440       6.681408      59.52193 7.504442 59.57754 5.607322 -0.5561066E-01 9.367962 
1 1 1 23 21 17 f 19.67101 6.146113 -1.476413      4.815347      -2.545467      7.715039      -0.4072889     5.768923      20.42089 9.144482 18.92112 8.214457 1.499769       12.29223 
1 1 1 23 21 18 o 29.09483 6.905808 8.678535       4.845810      8.303054       7.778800      9.054014       5.781674      29.14630 10.46195 29.04337 9.017118 0.1029301      13.81162 
1 1 1 23 21 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 21 20 o 29.13924 7.425141 8.806056       5.705871      11.18645       9.776634      6.422824       5.885109      32.66138 11.72822 25.61709 9.109315 7.044291       14.85028 
1 1 1 23 21 21 o 57.87175 5.404086 35.69889       6.288218      37.52669       10.42841      33.86399       7.029967      58.74219 8.876423 57.00131 6.166496 1.740879       10.80817 
1 1 1 23 21 22 o 46.58791 6.173163 24.27156       5.565597      25.81598       8.529759      22.72005       7.148279      47.83350 9.246078 45.34233 8.181799 2.491161       12.34633 
1 1 1 23 21 23 o 27.90976 7.330847 7.934660       5.595352      4.636108       7.785885      11.23604       8.033843      24.72719 10.04202 31.09233 10.68284 -6.365135      14.66169 
1 1 1 23 21 24 o 47.32418 6.762174 25.99310       6.209579      27.41000       9.578268      24.56911       7.906322      48.17099 10.24850 46.47738 8.824746 1.693615       13.52435 
1 1 1 23 21 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 21 26 o 81.42776 4.237251 72.12038       7.035635      85.29759       11.54776      58.87943       8.040927      88.41045 6.530768 74.44506 5.400578 13.96539       8.474502 
1 1 1 23 21 27 o 23.84304 6.883186 5.632192       5.236167      7.155363       8.380984      4.107604       6.276883      25.75225 10.43424 21.93383 8.979955 3.818419       13.76637 
1 1 1 23 21 28 o 24.54295 6.410072 6.511380       4.519214      3.171030       7.066806      9.854564       5.636442      21.37868 9.183048 27.70721 8.945821 -6.328527      12.82014 
1 1 1 23 21 29 o 15.29945 5.154329 -4.209620      4.284008      -2.492333      6.703371      -5.926908      5.334641      17.05345 7.968246 13.54544 6.540298 3.508009       10.30866 
1 1 1 23 21 30 o 22.69719 6.427764 6.774924       4.488750      9.755382       7.141194      3.792342       5.441618      25.65918 9.861356 19.73521 8.247320 5.923969       12.85553 
1 1 1 23 22 0  f 66.60847 6.072327 45.78015       7.962997      45.78015       7.962997      45.78015       7.962997      66.60847 6.072327 66.60847 6.072327 0.000000       0.000000 
1 1 1 23 22 1  o 50.48942 5.338215 26.09937       5.390610      27.79965       7.771716      24.39908       7.467082      52.15026 7.451272 48.82857 7.646223 3.321697       10.67643 
1 1 1 23 22 2  o 114.5272 3.070678 132.1263       7.033509      131.7012       9.982086      132.6222       9.911241      114.3230 4.365737 114.7313 4.319327 -0.4082794     6.141355 
1 1 1 23 22 3  o 44.26392 6.234396 20.77181       5.398402      16.40066       7.672533      25.13587       7.594603      38.98534 9.834767 49.54251 7.664734 -10.55717      12.46879 
1 1 1 23 22 4  o 93.50060 3.524971 88.34394       6.592144      87.70633       9.464915      88.98154       9.174451      93.14433 5.080780 93.85688 4.887468 -0.7125549     7.049941 
1 1 1 23 22 5  o 32.08581 7.113612 9.819141       5.630774      17.37832       8.147196      2.269171       7.778800      40.01573 10.15828 24.15590 9.961087 15.85983       14.22722 
1 1 1 23 22 6  o 140.6037 3.088316 199.6417       8.685618      209.7017       12.44750      189.5817       12.10744      144.1633 4.317154 137.0442 4.417348 7.119019       6.176632 
1 1 1 23 22 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 22 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 22 9  o 39.34785 7.572784 16.56360       6.453995      13.51726       10.66928      19.60286       7.261631      36.07368 12.31430 42.62203 8.817389 -6.548351      15.14557 
1 1 1 23 22 10 o 104.4447 3.649369 110.6602       7.573349      107.3305       12.37665      114.0607       8.735210      102.5814 6.032603 106.3081 4.108440 -3.726738      7.298738 
1 1 1 23 22 11 o 75.99930 4.395442 59.37534       6.432742      49.05320       10.30089      69.69749       7.707955      68.99929 7.464489 82.99931 4.643385 -14.00002      8.790883 
1 1 1 23 22 12 o 64.23874 4.818363 42.40792       6.209579      45.43301       9.351563      39.38284       8.168448      66.47907 7.033464 61.99840 6.587629 4.480675       9.636725 
1 1 1 23 22 13 o 57.37268 4.930414 33.96318       5.712955      36.79699       9.224042      31.12937       6.739501      59.57792 7.741158 55.16745 6.108223 4.410477       9.860827 
1 1 1 23 22 14 o 102.2117 3.288840 105.9844       6.684242      102.6547       10.74013      109.3141       7.962997      100.3728 5.350120 104.0507 3.826500 -3.677887      6.577681 
1 1 1 23 22 15 o 158.7821 3.004916 255.4677       9.578268      268.0782       14.79956      242.9281       12.16412      162.5442 4.552473 155.0201 3.923400 7.524094       6.009831 
1 1 1 23 22 16 o 41.55966 6.375592 19.12820       5.219164      22.55002       8.352647      15.70638       6.254921      45.19698 9.537037 37.92235 8.463902 7.274628       12.75118 
1 1 1 23 22 17 o 54.05902 7.395091 32.75881       7.984251      37.12996       13.74396      28.39475       8.133026      56.23980 12.54218 51.87824 7.838572 4.361561       14.79018 
1 1 1 23 22 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 22 19 o 27.92362 7.055259 7.587519       5.092351      6.383151       7.913406      8.784801       6.409364      27.11887 10.39284 28.72837 9.544405 -1.609507      14.11052 
1 1 1 23 22 20 f 37.06867 7.146995 16.76905       6.023965      27.64379       10.07418      5.890777       6.604896      48.76000 10.62547 25.37734 9.561249 23.38266       14.29399 
1 1 1 23 22 21 o 56.96497 6.021929 35.69889       6.537593      33.83566       10.77555      37.56211       7.403321      54.05826 10.33582 59.87168 6.182657 -5.813419      12.04386 
1 1 1 23 22 22 o 38.58763 7.152337 18.14345       5.766797      21.93367       9.826226      14.34615       6.036717      41.93464 11.41306 35.24062 8.623561 6.694019       14.30467 
1 1 1 23 22 23 o 20.28557 6.567273 -5.156112      6.191869      3.090267       9.627860      -13.40391      7.792970      25.27133 10.78219 15.29981 7.500708 9.971519       13.13455 
1 1 1 23 22 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 22 25 o 41.44451 7.271042 21.66446       6.184076      19.00068       9.918325      24.32824       7.389152      37.36947 11.84704 45.51955 8.433257 -8.150074      14.54208 
1 1 1 23 22 26 o 54.22140 4.947948 33.10595       5.337476      32.06453       8.097604      34.14029       6.957705      52.75320 7.674988 55.68959 6.246862 -2.936390      9.895895 
1 1 1 23 22 27 o 48.07203 5.659097 27.82090       5.130608      22.98217       7.778800      32.65963       6.695578      42.05079 9.476222 54.09326 6.188920 -12.04247      11.31819 
1 1 1 23 22 28 f 38.38325 6.584943 19.82957       5.037092      18.88024       7.630026      20.78598       6.580809      36.42166 10.11851 40.34484 8.429811 -3.923180      13.16989 
1 1 1 23 22 29 o 16.79208 5.643066 -3.076098      5.066138      -0.3034299     8.083434      -5.848269      6.112522      19.09616 8.855625 14.48801 6.996764 4.608153       11.28613 
1 1 1 23 23 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 23 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 23 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 23 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 23 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 23 5  o 62.17299 5.221058 39.89292       6.491544      42.30874       9.365732      37.47710       8.990252      64.07629 7.308268 60.26970 7.458353 3.806591       10.44212 
1 1 1 23 23 6  f 105.2223 3.457690 112.2896       7.268716      120.1534       10.40716      104.4966       10.15211      108.9249 4.777216 101.5197 5.000070 7.405190       6.915380 
1 1 1 23 23 7  o 65.99129 4.925071 45.07879       6.351979      53.68648       8.607689      36.47818       9.344479      72.57873 5.929898 59.40384 7.865215 13.17489       9.850142 
1 1 1 23 23 8  o 59.55128 5.032347 37.45584       5.772465      49.91043       8.366816      25.00126       7.955913      69.96999 5.978860 49.13256 8.096375 20.83743       10.06469 
1 1 1 23 23 9  o 99.96627 3.764335 101.5211       7.481250      96.84536       11.52651      106.2678       9.549930      97.46467 5.913174 102.4679 4.659963 -5.003204      7.528670 
1 1 1 23 23 10 o 48.17635 5.976420 24.58328       5.649195      26.02852       9.287803      23.13803       6.434867      48.88714 9.844942 47.46557 6.778458 1.421570       11.95284 
1 1 1 23 23 11 o 57.74161 5.411730 34.58662       6.183367      32.42584       9.741212      36.74739       7.615856      55.61967 8.756984 59.86354 6.361015 -4.243862      10.82346 
1 1 1 23 23 12 o 40.83829 6.585074 18.24972       5.329682      18.98651       8.628942      17.52001       6.257046      41.31563 10.43402 40.36097 8.036425 0.9546623      13.17015 
1 1 1 23 23 13 f 36.13910 6.958655 14.16904       5.344560      12.27747       8.643111      16.06769       6.293886      33.83669 11.08350 38.44151 8.417097 -4.604828      13.91731 
1 1 1 23 23 14 o 65.61731 4.410301 44.37742       5.831267      47.13330       9.450747      41.61446       6.834435      67.41319 7.009568 63.82143 5.354342 3.591766       8.820601 
1 1 1 23 23 15 f 50.02948 6.135416 27.09828       5.863855      23.57727       9.103605      30.61929       7.396237      45.78929 10.20481 54.26966 6.814338 -8.480373      12.27083 
1 1 1 23 23 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 23 17 o 37.13827 7.745663 15.95433       6.307346      18.54018       10.61969      13.36848       6.812472      39.78541 12.19425 34.49113 9.554137 5.294277       15.49133 
1 1 1 23 23 18 o 52.38261 6.443125 30.26506       6.444786      28.11137       10.68345      32.41167       7.219123      49.07408 11.13764 55.69114 6.481393 -6.617062      12.88625 
1 1 1 23 23 19 o 32.53604 7.159859 12.64586       5.851103      23.07428       10.10252      2.221705       5.904946      44.02509 11.38997 21.04698 8.678874 22.97811       14.31972 
1 1 1 23 23 20 o 52.21341 5.713092 30.25089       6.187618      37.44168       10.64803      23.05302       6.310180      57.87775 9.198725 46.54906 6.777989 11.32869       11.42618 
1 1 1 23 23 21 o 71.66724 4.315716 54.43744       6.249253      59.08488       10.22296      49.78999       7.190785      74.19950 6.888833 69.13499 5.200540 5.064514       8.631433 
1 1 1 23 23 22 o 28.05200 7.317657 8.912323       5.645652      14.55868       9.167366      3.270922       6.590727      33.92767 11.41469 22.17632 9.159548 11.75135       14.63531 
1 1 1 23 23 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 23 24 o 32.51585 8.866117 4.717580       11.06602      -16.25188      18.09386      25.68846       12.74505      23.62647 11.54504 41.40523 13.45898 -17.77876      17.73223 
1 1 1 23 23 25 o 49.03497 5.998670 28.60728       5.610938      26.32607       8.933578      30.88850       6.789802      45.19665 10.13455 52.87330 6.420823 -7.676655      11.99734 
1 1 1 23 23 26 o 31.47787 7.283847 14.09111       5.387067      17.88132       8.990252      10.30797       5.941077      34.81055 11.30387 28.14519 9.189131 6.665358       14.56769 
1 1 1 23 23 27 o 15.58520 7.273989 0.000000       0.000000      ?              ?             -2.586558      5.566306      ?        ?        15.58520 7.273989 ?              ?        
1 1 1 23 23 28 o 34.53485 6.715079 17.24372       5.356604      11.35648       8.345562      23.13803       6.718957      26.90183 10.58854 42.16787 8.261470 -15.26604      13.43016 
1 1 1 23 24 0  o 23.21869 12.28537 8.225125       7.559181      8.225125       7.559181      8.225125       7.559181      23.21869 12.28537 23.21869 12.28537 0.000000       0.000000 
1 1 1 23 24 1  o 47.78019 6.136703 24.15821       5.724290      26.03560       8.033843      22.28081       8.154280      50.15877 8.008414 45.40160 9.300635 4.757164       12.27341 
1 1 1 23 24 2  o 54.40914 5.479817 30.79640       5.929033      25.39800       8.069265      36.20189       8.692703      49.51025 8.149087 59.30804 7.328435 -9.797794      10.95963 
1 1 1 23 24 3  o 38.39082 7.005166 16.10311       5.418948      15.68512       7.396237      16.52110       7.920490      37.92520 9.709360 38.85643 10.10038 -0.9312248     14.01033 
1 1 1 23 24 4  o 57.68385 5.077824 34.23948       5.848978      35.95393       8.182618      32.52502       8.359732      59.18742 6.912464 56.18027 7.440095 3.007149       10.15565 
1 1 1 23 24 5  o 40.08332 6.882831 17.56252       5.470665      16.96742       7.693786      18.15053       7.778800      39.39128 9.795030 40.77537 9.672169 -1.384087      13.76566 
1 1 1 23 24 6  o 29.36320 7.286497 8.352647       5.311971      7.459997       7.353730      9.238212       7.665448      28.31830 10.17136 30.40810 10.43626 -2.089800      14.57299 
1 1 1 23 24 7  o 38.93797 6.498478 16.25188       5.486959      25.54677       7.622942      6.954871       7.899237      49.66987 7.673608 28.20607 10.48983 21.46380       12.99696 
1 1 1 23 24 8  o 30.57065 7.059835 9.245295       5.246794      4.390984       7.396237      14.10528       7.445828      25.27709 9.962084 35.86420 10.00610 -10.58711      14.11967 
1 1 1 23 24 9  o 33.23468 7.392401 11.61152       5.628649      9.202788       8.551013      14.02026       7.318307      30.75408 10.97592 35.71527 9.905533 -4.961197      14.78480 
1 1 1 23 24 10 o 102.5790 3.380613 107.0471       6.935743      115.2651       10.10252      98.82903       9.507423      106.5355 4.741388 98.62256 4.820106 7.912941       6.761226 
1 1 1 23 24 11 o 79.14471 4.803373 65.55305       7.481250      80.69266       10.83931      50.44885       10.32214      88.63536 6.114553 69.65408 7.409575 18.98129       9.606746 
1 1 1 23 24 12 o 63.84681 4.887127 42.33708       6.138027      38.36975       9.656199      46.29733       7.580434      60.47205 7.984017 67.22156 5.638395 -6.749504      9.774254 
1 1 1 23 24 13 o 58.60644 5.836310 36.67655       7.015089      42.77632       11.88782      30.58386       7.452912      63.01239 9.432923 54.20049 6.875320 8.811905       11.67262 
1 1 1 23 24 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 24 15 o 28.93120 6.984349 4.929408       6.137318      -4.344935      10.13086      14.20446       6.932909      22.36204 10.19130 35.50035 9.553114 -13.13831      13.96870 
1 1 1 23 24 16 o 26.23760 6.936521 1.922029       6.187618      -6.466040      10.62678      10.30797       6.345603      21.93909 10.16619 30.53612 9.439806 -8.597033      13.87304 
1 1 1 23 24 17 o 26.07706 6.747318 4.774965       5.229083      -0.1678322     8.593520      9.719957       5.961622      22.59539 9.916786 29.55872 9.152187 -6.963331      13.49464 
1 1 1 23 24 18 o 70.62756 4.368170 52.51044       5.932575      43.71148       9.500339      61.30942       7.112856      63.96307 7.426425 77.29205 4.601286 -13.32898      8.736340 
1 1 1 23 24 19 o 42.01775 6.134274 20.78598       5.231916      29.08903       8.480167      12.49000       6.135192      51.29779 8.265627 32.73771 9.066238 18.56009       12.26855 
1 1 1 23 24 20 o 29.49695 7.362944 9.868733       5.498294      12.83006       8.947746      6.902445       6.394486      33.00602 11.27713 25.98788 9.469850 7.018139       14.72589 
1 1 1 23 24 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 24 22 o 23.15523 7.563355 2.932282       8.232210      4.160029       12.31289      1.704535       10.93141      23.97164 11.04477 22.33882 10.33588 1.632822       15.12671 
1 1 1 23 24 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 24 24 o 23.60884 6.906542 5.089518       5.499711      10.67637       9.068183      -0.4972623     6.222332      28.90729 11.11172 18.31038 8.205540 10.59690       13.81308 
1 1 1 23 24 25 o 18.08583 6.001482 -3.052010      5.469956      -1.312053      8.699788      -4.792676      6.634651      20.04599 9.254244 16.12567 7.643958 3.920321       12.00296 
1 1 1 23 24 26 o 19.17026 6.078183 1.069762       4.836601      1.657069       7.226208      0.4826682      6.429908      19.90619 8.883639 18.43433 8.298085 1.471865       12.15637 
1 1 1 23 24 27 o 19.69981 6.083452 2.244375       4.710496      7.062556       7.060431      -2.573097      6.236501      23.26675 9.524530 16.13287 7.570791 7.133875       12.16690 
1 1 1 23 25 0  o 41.29520 11.08136 20.81431       7.892153      20.81431       7.892153      20.81431       7.892153      41.29520 11.08136 41.29520 11.08136 0.000000       0.000000 
1 1 1 23 25 1  o 92.43095 3.606047 87.13957       6.648112      98.19141       9.642029      76.15857       9.153197      98.35115 4.901838 86.51077 5.290207 11.84039       7.212095 
1 1 1 23 25 2  o 59.04195 5.027241 36.13813       5.889359      41.11146       8.331393      31.16479       8.331393      63.25364 6.585702 54.83025 7.597442 8.423386       10.05448 
1 1 1 23 25 3  o 56.78091 5.379153 33.44601       6.092685      34.21822       7.885069      32.66671       9.287803      57.63471 6.840555 55.92711 8.303490 1.707600       10.75831 
1 1 1 23 25 4  o 66.11879 4.487297 44.90876       5.926908      42.39376       8.388069      47.41668       8.373900      64.21811 6.530922 68.01946 6.155518 -3.801353      8.974594 
1 1 1 23 25 5  o 131.4350 3.028705 174.9167       7.962997      167.7614       11.10852      182.1430       11.40607      128.7209 4.314967 134.1491 4.251268 -5.428207      6.057410 
1 1 1 23 25 6  o 83.45906 3.944658 71.19940       6.587893      69.90294       8.813140      72.40377       9.797889      82.80445 5.321659 84.11366 5.824196 -1.309212      7.889316 
1 1 1 23 25 7  o 25.05755 6.963008 4.413655       5.127066      3.431740       7.141194      5.395568       7.360813      24.05012 9.678081 26.06498 10.01343 -2.014858      13.92602 
1 1 1 23 25 8  o 38.65176 8.472842 16.62028       7.360813      16.16687       11.67529      17.07369       8.961915      38.31132 12.88177 38.99220 11.00983 -0.6808853     16.94568 
1 1 1 23 25 9  o 21.18391 6.746885 -3.324056      6.076391      -2.057344      8.614774      -4.590768      8.572267      21.90337 9.739379 20.46445 9.339505 1.438921       13.49377 
1 1 1 23 25 10 o 19.83761 6.533408 -7.297054      6.361897      -3.666238      9.004422      -10.92433      8.990252      21.45203 9.729093 18.22320 8.722754 3.228825       13.06682 
1 1 1 23 25 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 25 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 25 13 o 39.59253 7.428305 17.57669       6.351979      16.30856       10.93141      18.84482       6.474541      37.65813 12.46464 41.52693 8.084040 -3.868801      14.85661 
1 1 1 23 25 14 o 52.82407 6.026578 30.81765       5.780967      22.20996       9.316141      39.41825       6.847895      43.82856 10.70525 61.81957 5.538614 -17.99101      12.05316 
1 1 1 23 25 15 o 63.72467 5.237461 44.67497       5.873065      29.03235       9.082352      60.31758       7.445828      50.82166 9.280059 76.62769 4.858445 -25.80604      10.47492 
1 1 1 23 25 16 o 56.58012 5.230902 34.10487       5.854646      32.68088       9.443663      35.52177       6.922283      54.77809 8.619927 58.38216 5.928423 -3.604069      10.46180 
1 1 1 23 25 17 o 56.48421 5.283357 34.52285       5.882984      32.32666       9.351563      36.71906       7.134109      53.94284 8.668031 59.02559 6.043234 -5.082752      10.56671 
1 1 1 23 25 18 o 32.94105 7.494395 12.87257       5.711539      13.14178       9.153197      12.60336       6.829475      33.16073 11.40190 32.72136 9.729358 0.4393692      14.98879 
1 1 1 23 25 19 o 47.82865 6.745927 27.14079       6.223041      18.02301       9.925409      36.25856       7.509589      37.47594 11.84825 58.18135 6.453605 -20.70541      13.49185 
1 1 1 23 25 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 25 21 o 24.93825 7.054145 5.275132       5.936826      15.55052       10.10252      -4.998836      6.235793      33.93800 11.94841 15.93849 7.501961 17.99951       14.10829 
1 1 1 23 25 22 o 26.38925 7.483533 8.288886       6.129525      13.07094       9.819141      3.513921       7.332476      30.62301 11.62290 22.15549 9.429803 8.467524       14.96707 
1 1 1 23 25 23 o 40.58987 6.631076 20.98434       5.560638      14.55868       8.281801      27.41000       7.424574      32.50891 10.84935 48.67083 7.627336 -16.16192      13.26215 
1 1 1 23 25 24 o 51.60213 5.748371 32.38333       5.744127      30.73264       8.551013      34.03402       7.672533      49.07099 9.052826 54.13327 7.086707 -5.062283      11.49674 
1 1 1 23 25 25 o 22.92407 6.700461 6.133776       5.025757      8.395153       7.615856      3.874523       6.556013      24.97862 10.01824 20.86952 8.900542 4.109097       13.40092 
1 1 1 23 25 26 o 17.51389 5.711463 -1.944700      4.803303      5.524507       7.481250      -9.415324      6.027507      22.01707 9.452575 13.01072 6.413428 9.006352       11.42293 
1 1 1 23 26 0  o 82.26002 5.643225 69.39285       9.195704      69.39285       9.195704      69.39285       9.195704      82.26002 5.643225 82.26002 5.643225 0.000000       0.000000 
1 1 1 23 26 1  o 64.55482 4.649339 43.12346       5.975791      38.31307       8.409323      47.93385       8.494337      60.83922 6.911103 68.27041 6.221097 -7.431187      9.298677 
1 1 1 23 26 2  o 100.9874 3.478924 103.8590       7.018632      108.3931       9.840395      99.32494       10.01042      103.2477 4.765429 98.72706 5.069746 4.520683       6.957848 
1 1 1 23 26 3  o 23.07470 7.013710 0.6050178      5.849687      1.084640       9.061099      0.1255376      7.403321      24.44100 10.44498 21.70839 9.363276 2.732607       14.02742 
1 1 1 23 26 4  o 25.74947 7.206466 4.080682       5.703037      8.536844       8.529759      -0.3727165     7.573349      29.92100 10.93391 21.57793 9.390538 8.343063       14.41293 
1 1 1 23 26 5  o 22.29788 6.958900 -1.321971      6.084892      0.2322305      9.018591      -2.876314      8.175533      23.78469 10.29750 20.81107 9.363050 2.973629       13.91780 
1 1 1 23 26 6  o 30.03450 8.002710 7.955913       6.666531      10.49926       9.089437      5.415406       9.755382      31.97296 11.32568 28.09604 11.30940 3.876925       16.00542 
1 1 1 23 26 7  o 36.17646 9.520882 5.782383       12.10744      -7.913406      21.65029      19.47534       10.83223      31.48143 14.55835 40.87149 12.27368 -9.390060      19.04176 
1 1 1 23 26 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 26 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 26 10 o 67.83171 5.068471 48.37309       6.810347      52.24832       8.940661      44.49077       10.27963      70.92208 6.303158 64.74134 7.939005 6.180740       10.13694 
1 1 1 23 26 11 o 38.32252 7.231715 16.79739       5.698786      19.87916       8.303054      13.71563       7.807138      41.82572 10.03843 34.81932 10.41253 7.006401       14.46343 
1 1 1 23 26 12 f 54.66658 6.114539 33.04219       6.587893      40.04878       10.26547      26.02852       8.260548      60.95503 8.420525 48.37814 8.868206 12.57689       12.22908 
1 1 1 23 26 13 o 30.30747 7.413361 9.975000       5.490501      8.905238       7.545012      11.03768       7.977167      29.09867 10.31759 31.51628 10.64796 -2.417616      14.82672 
1 1 1 23 26 14 o 40.74574 6.884324 19.08569       5.607396      18.70313       8.976085      19.46825       6.725333      39.69902 10.95429 41.79244 8.341413 -2.093418      13.76865 
1 1 1 23 26 15 o 50.83013 6.303359 29.37949       5.977916      23.09553       9.613690      35.66346       7.105771      43.52260 11.02647 58.13766 6.111160 -14.61506      12.60672 
1 1 1 23 26 16 o 52.99976 6.006559 31.53319       6.208163      33.03511       10.16628      30.02419       7.127024      53.02562 9.953067 52.97390 6.726921 0.5171585E-01  12.01312 
1 1 1 23 26 17 o 30.42076 7.858147 10.65512       6.349853      14.03443       10.57010      7.275800       7.037052      34.15918 12.20195 26.68235 9.905270 7.476830       15.71629 
1 1 1 23 26 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 26 19 o 27.23763 8.090957 10.44966       7.537927      16.55652       12.36248      4.349185       8.643111      31.45990 12.70315 23.01537 10.02419 8.444536       16.18191 
1 1 1 23 26 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 26 21 o 20.46394 6.382277 -0.5637860     5.424615      -5.512463      8.140111      4.385316       7.176617      18.02130 8.508296 22.90657 9.515397 -4.885269      12.76455 
1 1 1 23 26 22 o 19.37251 6.259707 -0.2894734     5.404070      1.779631       8.898154      -2.359144      6.129525      21.95753 9.826919 16.78748 7.756764 5.170055       12.51941 
1 1 1 23 26 23 o 53.12273 5.683863 34.37408       5.665489      30.19422       8.869816      38.55395       7.051221      47.64498 9.645141 58.60049 6.016350 -10.95551      11.36773 
1 1 1 23 26 24 o 37.32120 7.400878 20.85682       5.766089      22.44375       8.154280      19.27697       8.154280      39.13674 10.28339 35.50566 10.64631 3.631073       14.80176 
1 1 1 23 26 25 o 20.66060 6.158032 3.494792       4.736000      11.15812       7.360813      -4.171364      5.957372      26.46746 10.05814 14.85374 7.107685 11.61372       12.31606 
1 1 1 23 27 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 27 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 27 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 27 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 27 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 27 5  o 73.20518 5.102698 57.36334       7.580434      42.62754       8.976085      72.12038       12.21371      63.72153 7.043211 82.68884 7.385343 -18.96731      10.20540 
1 1 1 23 27 6  o 40.25067 6.524052 18.24972       5.707288      29.46451       8.225125      7.039177       7.913406      52.75145 7.796114 27.74990 10.46296 25.00155       13.04810 
1 1 1 23 27 7  o 66.53669 4.634465 46.24065       6.150779      40.87058       8.501422      51.61071       8.891070      62.56223 6.794372 70.51115 6.304727 -7.948914      9.268930 
1 1 1 23 27 8  o 22.25468 6.656942 -0.1720121     5.455079      -6.349853      7.438744      6.005546       7.984251      17.74085 8.315112 26.76851 10.39800 -9.027662      13.31388 
1 1 1 23 27 9  o 47.98178 6.137521 25.80181       5.647069      33.43893       8.069265      18.15762       7.906322      56.23216 7.174957 39.73140 9.959751 16.50076       12.27504 
1 1 1 23 27 10 o 25.20239 7.137493 4.664447       5.470665      5.126357       7.601687      4.201828       7.870899      25.47811 10.08106 24.92668 10.10680 0.5514240      14.27499 
1 1 1 23 27 11 o 27.60461 7.049086 6.284676       5.560638      -1.012378      7.700871      13.58102       8.026759      20.93674 9.270694 34.27247 10.62133 -13.33573      14.09817 
1 1 1 23 27 12 o 32.50814 7.540608 12.21371       5.734209      14.92708       8.338477      9.500339       7.870899      35.44471 10.79373 29.57157 10.53274 5.873137       15.08122 
1 1 1 23 27 13 o 27.30576 7.492513 7.261631       5.863147      7.870899       8.643111      6.645986       7.927575      28.05637 10.83493 26.55514 10.35158 1.501232       14.98503 
1 1 1 23 27 14 o 56.97020 6.343248 36.42150       7.240376      34.71414       9.479085      38.13596       10.95267      55.96721 8.468428 57.97319 9.446319 -2.005981      12.68650 
1 1 1 23 27 15 o 27.17257 7.425827 7.119940       5.792302      9.705790       8.565183      4.531966       7.800055      29.69629 10.94633 24.64886 10.03740 5.047428       14.85165 
1 1 1 23 27 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 27 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 27 18 o 33.46869 8.847611 16.08894       8.154280      22.67046       13.62353      9.514507       8.961915      38.49059 13.84235 28.44678 11.02316 10.04381       17.69522 
1 1 1 23 27 19 o 30.64604 6.652752 10.19462       5.633609      0.9500339      8.855647      19.43991       6.967623      21.81609 9.782504 39.47599 9.018816 -17.65990      13.30550 
1 1 1 23 27 20 o 23.99482 6.091725 2.089224       5.006629      -9.025676      7.686701      13.20554       6.419991      15.97721 7.738311 32.01243 9.410366 -16.03522      12.18345 
1 1 1 23 27 21 o 28.02157 7.154052 10.67637       5.206412      11.03768       8.175533      10.30797       6.449036      28.21974 10.63640 27.82340 9.570211 0.3963432      14.30810 
1 1 1 23 27 22 o 25.12733 6.790743 5.940369       5.807179      -0.5129191     9.627860      12.39082       6.499337      20.60588 9.597574 29.64878 9.609545 -9.042900      13.58149 
1 1 1 23 27 23 o 34.78376 6.814224 17.54835       5.202161      14.19029       8.083434      20.90641       6.551762      29.76825 10.66686 39.79927 8.482491 -10.03102      13.62845 
1 1 1 23 27 24 o 31.52122 7.381173 16.89658       5.429574      18.78814       8.055097      15.00501       7.282885      33.05396 10.69652 29.98848 10.17405 3.065479       14.76235 
1 1 1 23 28 0  o 22.31507 12.97089 7.339560       9.337394      7.339560       9.337394      7.339560       9.337394      22.31507 12.97089 22.31507 12.97089 0.000000       0.000000 
1 1 1 23 28 1  o 21.98362 7.021446 -6.322224      7.127024      1.915654       8.940661      -14.55868      11.10144      24.45371 10.41046 19.51353 9.424706 4.940182       14.04289 
1 1 1 23 28 2  o 25.91237 7.532534 4.107604       6.285384      3.219913       8.409323      4.996002       9.344479      24.81461 10.30364 27.01013 10.99051 -2.195528      15.06507 
1 1 1 23 28 3  o 40.20951 8.368242 19.53910       7.693786      29.89667       12.02243      9.174451       9.599521      49.90977 12.14289 30.50924 11.51782 19.40053       16.73648 
1 1 1 23 28 4  o 93.03902 4.216267 90.04422       7.792970      94.43663       9.967916      85.72267       11.98701      95.71819 5.206909 90.35984 6.632927 5.358345       8.432533 
1 1 1 23 28 5  o 30.52819 7.351720 6.443369       6.700537      16.88949       8.076350      -4.002753      10.69054      38.11681 10.33504 22.93957 10.45840 15.17724       14.70344 
1 1 1 23 28 6  o 39.96553 7.684266 18.61811       6.464623      21.34565       8.147196      15.89766       10.03876      43.21336 9.670142 36.71770 11.94488 6.495659       15.36853 
1 1 1 23 28 7  o 37.34600 8.113567 16.24480       6.945662      10.35048       9.875818      22.13203       9.769550      31.51892 11.72762 43.17309 11.21530 -11.65417      16.22713 
1 1 1 23 28 8  o 49.37677 6.279405 27.14787       6.045928      24.73205       8.593520      29.55661       8.501422      46.50035 9.568082 52.25319 8.134835 -5.752842      12.55881 
1 1 1 23 28 9  o 40.69264 7.731030 19.85790       6.633943      23.23722       8.359732      16.47859       10.30797      44.72649 9.621273 36.65879 12.10398 8.067703       15.46206 
1 1 1 23 28 10 o 35.85374 7.993605 15.28131       6.825224      20.07044       8.721042      10.48509       10.50634      40.64897 10.61355 31.05852 11.95589 9.590452       15.98721 
1 1 1 23 28 11 o 37.15255 8.223995 17.38541       6.920157      12.34123       8.806056      22.42958       10.67637      32.30207 11.17616 42.00302 12.06772 -9.700951      16.44799 
1 1 1 23 28 12 o 23.11949 7.299880 -0.8451830     6.918740      -0.4376107     8.961915      -1.251834      10.54176      22.52145 9.983044 23.71753 10.65325 -1.196077      14.59976 
1 1 1 23 28 13 o 42.60662 8.700454 25.33423       7.877984      21.31731       10.42841      29.35116       11.80281      39.28797 12.09252 45.92527 12.51250 -6.637306      17.40091 
1 1 1 23 28 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 28 15 o 33.29214 8.098811 16.18104       7.587519      24.09444       9.450747      8.260548       11.87365      40.21531 11.29031 26.36898 11.61429 13.84633       16.19762 
1 1 1 23 28 16 o 30.70671 7.983409 -8.225125      10.64803      -41.76323      17.93091      25.31298       11.49817      19.31011 9.748121 42.10332 12.64569 -22.79321      15.96682 
1 1 1 23 28 17 o 40.19673 7.259333 21.69988       5.948870      26.43942       9.571183      16.96033       7.070349      44.15691 10.89133 36.23655 9.600549 7.920357       14.51867 
1 1 1 23 28 18 o 40.13340 6.510208 20.18379       5.411155      13.97067       8.352647      26.40400       6.881192      32.00142 10.89568 48.26539 7.128496 -16.26397      13.02042 
1 1 1 23 28 19 o 35.71260 6.814733 16.99576       5.356604      12.22788       8.338477      21.76364       6.728167      29.43484 10.80530 41.99036 8.307093 -12.55552      13.62947 
1 1 1 23 28 20 o 24.44669 6.335306 4.510713       5.147611      -4.144443      8.090520      13.16303       6.366856      17.89406 8.462761 30.99932 9.430062 -13.10526      12.67061 
1 1 1 23 28 21 o 31.14827 7.350542 14.91999       5.459329      16.37940       8.728126      13.46058       6.556013      31.73400 11.11241 30.56253 9.624767 1.171473       14.70108 
1 1 1 23 28 22 f 34.61482 7.108919 18.78106       5.306304      24.03777       8.473083      13.51726       6.394486      39.18951 10.56792 30.04013 9.511354 9.149372       14.21784 
1 1 1 23 29 0  o 18.70945 11.60356 3.888692       8.430575      3.888692       8.430575      3.888692       8.430575      18.70945 11.60356 18.70945 11.60356 0.000000       0.000000 
1 1 1 23 29 1  o 28.71206 7.526480 8.048012       5.936826      12.10036       8.487252      3.997793       8.303054      32.44890 10.98312 24.97522 10.29382 7.473680       15.05296 
1 1 1 23 29 2  o 54.02456 5.614723 31.66780       6.066473      31.32065       8.558097      32.00785       8.600604      53.71791 7.965776 54.33120 7.914978 -0.6132927     11.22945 
1 1 1 23 29 3  o 23.93918 7.018765 1.384315       6.018298      10.00334       9.330310      -7.233293      7.601687      30.53552 11.39167 17.34284 8.202563 13.19267       14.03753 
1 1 1 23 29 4  o 30.43501 7.904441 10.19462       6.324349      10.37882       9.330310      10.01042       8.536844      30.74241 11.40699 30.12762 10.94538 0.6147957      15.80888 
1 1 1 23 29 5  o 32.35437 7.991543 11.67529       6.742336      17.42792       9.372816      5.922657       9.691620      37.49455 11.44872 27.21419 11.15284 10.28036       15.98309 
1 1 1 23 29 6  o 39.64053 9.308014 20.43883       8.806056      22.51460       11.31397      18.35599       13.49601      41.69790 12.54804 37.58316 13.75148 4.114735       18.61603 
1 1 1 23 29 7  o 51.46946 9.055494 34.33157       9.408240      31.12937       11.19354      37.53378       15.11836      50.27068 11.39437 52.66824 14.07751 -2.397556      18.11099 
1 1 1 23 29 8  f 23.14710 7.538915 -3.891525      8.175533      -2.778548      9.167366      -5.004504      13.53851      21.45011 9.753924 24.84409 11.49791 -3.393978      15.07783 
1 1 1 23 29 9  o 24.92091 8.026890 -0.9422408     8.806056      -4.183408      9.408240      2.298926       14.89874      21.00579 9.668764 28.83603 12.81557 -7.830233      16.05378 
1 1 1 23 29 10 o 28.24105 8.247832 8.891070       7.686701      9.656199       9.627860      8.133026       11.97992      28.38675 11.30946 28.09535 12.00846 0.2914047      16.49566 
1 1 1 23 29 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 29 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 29 13 o 43.76154 7.514822 24.37074       6.932201      29.93917       8.586436      18.80231       10.88890      50.90572 8.433664 36.61735 12.44040 14.28838       15.02964 
1 1 1 23 29 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 29 15 o 23.35205 6.788955 4.121064       5.373607      -1.285131      7.268716      9.528677       7.913406      19.03952 8.665113 27.66459 10.45349 -8.625069      13.57791 
1 1 1 23 29 16 o 20.26520 6.302775 0.6498628E-01  5.182325      4.451202       7.080267      -4.320848      7.566265      22.75864 9.452461 17.77177 8.339718 4.986870       12.60555 
1 1 1 23 29 17 o 31.24807 7.286004 13.57394       5.368648      16.00393       7.545012      11.15103       7.637110      33.94824 10.25329 28.54791 10.35440 5.400330       14.57201 
1 1 1 23 29 18 o 64.58019 4.664045 47.87009       6.004128      48.55729       9.549930      47.18289       7.282885      63.85073 7.478324 65.30965 5.575657 -1.458920      9.328091 
1 1 1 23 29 19 o 28.23872 7.125070 11.67529       5.231208      11.10144       8.253463      12.25622       6.428492      27.17751 10.56876 29.29994 9.558645 -2.122423      14.25014 
1 1 1 23 29 20 o 25.59282 6.825356 8.983169       5.178782      5.970123       8.196787      12.00117       6.334976      22.65765 9.813438 28.52798 9.488855 -5.870329      13.65071 
1 1 1 23 30 0  o 112.1835 6.615587 131.0636       14.73580      131.0636       14.73580      131.0636       14.73580      112.1835 6.615587 112.1835 6.615587 0.000000       0.000000 
1 1 1 23 30 1  o 34.68025 8.126214 12.87965       7.445828      21.18979       9.514507      4.572348       11.44858      41.63611 11.18546 27.72439 11.79096 13.91172       16.25243 
1 1 1 23 30 2  o 27.39586 8.047751 5.176658       7.339560      7.098687       9.797889      3.257461       10.93850      28.27165 11.35309 26.52008 11.40932 1.751572       16.09550 
1 1 1 23 30 3  o 35.39057 8.658974 15.45842       7.707955      8.664365       9.911241      22.24539       11.81698      29.42467 11.55256 41.35647 12.90154 -11.93180      17.31795 
1 1 1 23 30 4  o 28.71021 8.472001 7.325392       8.182618      1.871729       9.698705      12.78755       13.17720      24.27164 10.59455 33.14878 13.22326 -8.877144      16.94400 
1 1 1 23 30 5  o 34.38625 8.799565 16.23771       8.147196      20.43175       10.59844      12.05077       12.37665      37.91857 12.26942 30.85393 12.61708 7.064644       17.59913 
1 1 1 23 30 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 30 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 30 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 30 9  o 32.41762 7.727459 13.72271       7.162447      2.806178       10.73304      24.63287       9.486169      23.52693 10.64855 41.30830 11.20102 -17.78137      15.45492 
1 1 1 23 30 10 o 27.31476 7.545877 7.015798       6.402987      1.385023       9.422408      12.64586       8.671450      23.16691 10.25690 31.46262 11.07055 -8.295710      15.09175 
1 1 1 23 30 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 30 12 o 25.55573 7.480264 4.950661       6.774216      13.09927       9.620775      -3.198660      9.535762      30.74763 11.54838 20.36383 9.510636 10.38380       14.96053 
1 1 1 23 30 13 o 42.14043 7.326311 23.25847       6.186910      23.81815       7.885069      22.69880       9.535762      43.72427 9.295849 40.55661 11.32636 3.167660       14.65262 
1 1 1 23 30 14 o 26.26247 7.302555 8.161365       5.887234      1.850476       7.353730      14.46659       9.195704      20.84680 9.161312 31.67814 11.37451 -10.83134      14.60511 
1 1 1 23 30 15 o 38.92238 7.356149 21.09061       5.911322      21.31023       7.481250      20.87099       9.153197      40.26934 9.442736 37.57542 11.28213 2.693928       14.71230 
1 1 1 23 30 16 o 23.45713 6.931146 5.460038       5.717206      -1.309219      7.197870      12.22788       8.883986      18.30714 8.438581 28.60711 10.99788 -10.29997      13.86229 
1 1 1 23 30 17 o 20.79052 6.484951 2.814679       5.358021      -2.097017      6.744461      7.729208       8.324308      17.15114 8.005635 24.42991 10.20432 -7.278776      12.96990 
1 1 1 23 30 18 o 17.35774 5.819978 -2.630481      5.342435      -4.660196      6.593561      -0.5999170     8.409323      15.57662 7.459342 19.13885 8.935703 -3.562226      11.63996 
1 1 1 23 30 19 o 16.94850 5.718152 -2.646776      5.343143      -2.216037      8.111773      -3.078223      6.955580      17.63492 8.403218 16.26207 7.757252 1.372854       11.43630 
1 1 1 23 31 0  o 31.99613 19.56705 36.47818       23.32223      36.47818       23.32223      36.47818       23.32223      31.99613 19.56705 31.99613 19.56705 0.000000       0.000000 
1 1 1 23 31 1  o 34.78854 9.848715 23.74022       12.89382      37.12996       15.10419      10.35048       20.89224      42.09421 14.62993 27.48288 13.18916 14.61133       19.69743 
1 1 1 23 31 2  o 26.40858 8.169371 8.189702       8.310139      16.52110       13.41808      -0.1394942     9.804973      31.37861 13.02139 21.43855 9.869036 9.940060       16.33874 
1 1 1 23 31 3  o 42.09751 7.851484 24.39199       7.785885      12.75213       12.02951      36.02477       9.882903      30.56763 12.45926 53.62740 9.557728 -23.05977      15.70297 
1 1 1 23 31 4  o 23.48641 7.324787 0.1999959      7.105771      -6.204620      10.48509      6.604896       9.599521      20.51255 9.676183 26.46026 10.99916 -5.947710      14.64957 
1 1 1 23 31 5  o 47.46268 7.377454 29.59912       7.289969      43.58395       11.33523      15.62136       9.160281      60.58480 9.354845 34.34056 11.41027 26.24424       14.75491 
1 1 1 23 31 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 31 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 23 31 8  o 19.97622 6.527439 -4.055178      6.434159      1.860394       8.501422      -9.967916      9.663282      22.00466 9.742479 17.94779 8.689877 4.056871       13.05488 
1 1 1 23 31 9  o 34.98914 7.526590 16.48567       5.733500      16.49276       8.147196      16.47859       8.076350      34.96904 10.67325 35.00923 10.61508 -0.4019165E-01 15.05318 
1 1 1 23 31 10 o 26.54909 7.256855 7.948828       5.671865      11.70362       8.005506      4.190492       8.033843      29.80653 10.62182 23.29164 9.890637 6.514893       14.51371 
1 1 1 23 31 11 o 20.51523 6.264604 -1.555760      5.364397      -11.51943      7.537927      8.402238       7.637110      14.88366 7.322405 26.14681 10.16678 -11.26315      12.52921 
1 1 1 23 31 12 o 27.28078 7.194337 9.075267       5.816390      17.21538       8.699788      0.9386986      7.722124      34.20428 11.11977 20.35729 9.131518 13.84699       14.38867 
1 1 1 23 31 13 o 30.82317 7.559995 14.03443       5.890069      19.62411       8.969000      8.451830       7.637110      36.03522 11.23951 25.61111 10.11373 10.42411       15.11999 
1 1 1 23 31 14 o 31.77933 7.542257 15.29548       5.889359      12.76630       8.940661      17.83173       7.665448      28.65833 11.02971 34.90033 10.29019 -6.242004      15.08451 
1 1 1 23 31 15 o 20.47048 6.487037 2.021921       5.589684      0.1896525      8.458915      3.853978       7.311223      19.79340 9.132908 21.14756 9.215018 -1.354156      12.97407 
1 1 1 23 31 16 o 23.82423 6.914072 7.566265       5.487668      12.96467       8.253463      2.169988       7.233293      28.01990 10.64985 19.62855 8.820331 8.391346       13.82814 
1 1 1 23 32 0  o 16.38366 10.54622 2.430698       7.679617      2.430698       7.679617      2.430698       7.679617      16.38366 10.54622 16.38366 10.54622 0.000000       0.000000 
1 1 1 23 32 1  o 26.37982 7.388679 7.800055       5.858188      5.273006       8.168448      10.32214       8.402238      24.23018 10.11381 28.52946 10.77410 -4.299276      14.77736 
1 1 1 23 32 2  o 15.77437 5.483520 -12.83715      5.967289      -12.02243      7.977167      -13.65895      8.876901      15.46846 7.585135 16.08027 7.920963 -0.6118069     10.96704 
1 1 1 23 32 3  o 26.03823 7.276158 7.169532       5.779550      9.755382       7.601687      4.577307       8.706873      27.97247 10.31216 24.10398 10.26787 3.868492       14.55232 
1 1 1 23 32 4  o 19.05243 6.224421 -2.949285      5.642818      -1.015920      7.594603      -4.882650      8.345562      19.59533 8.901800 18.50954 8.702390 1.085785       12.44884 
1 1 1 23 32 5  o 30.85472 8.038139 13.15595       6.565931      15.43716       9.897071      10.86765       8.636027      32.81490 11.79857 28.89454 10.91973 3.920355       16.07628 
1 1 1 23 32 6  o 26.97964 7.480597 7.715039       6.416448      1.640066       9.578268      13.78647       8.543928      22.57722 10.14736 31.38205 10.99402 -8.804825      14.96119 
1 1 1 23 32 7  o 26.44644 7.260962 8.090520       5.994919      16.63445       9.344479      -0.4604936     7.509589      33.42975 11.51791 19.46314 8.844436 13.96661       14.52192 
1 1 1 23 32 8  o 20.49527 6.549259 -0.5958080     6.013339      -4.427824      9.365732      3.236208       7.545012      19.28629 9.113709 21.70425 9.408052 -2.417953      13.09852 
1 1 1 23 32 9  o 17.16142 5.804660 -6.948495      5.824891      -10.68345      9.139028      -3.213537      7.226208      16.80558 8.210402 17.51727 8.207656 -0.7116852     11.60932 
1 1 1 23 32 10 o 21.23470 6.717574 2.330098       5.902112      2.612062       9.323226      2.048134       7.240376      22.12391 9.973708 20.34550 9.001574 1.778414       13.43515 
1 1 1 23 32 11 o 39.67114 7.755615 24.05902       6.405821      28.14679       9.904156      19.96417       8.133026      42.70709 11.38469 36.63519 10.53504 6.071896       15.51123 
1 1 1 23 32 12 o 22.75199 6.596995 4.684283       5.297802      12.11453       7.707955      -2.747376      7.268716      28.17692 10.38434 17.32705 8.139221 10.84986       13.19399 
1 1 1 23 32 13 o 19.05539 6.144105 0.7835476      5.204287      2.765796       7.587519      -1.197992      7.127024      20.34562 9.090751 17.76515 8.267912 2.580471       12.28821 
1 1 1 23 32 14 o 19.43052 6.187050 2.318763       5.109354      1.285131       7.289969      3.351686       7.162447      18.85572 8.608378 20.00531 8.888992 -1.149593      12.37410 
1 1 1 23 33 0  f 12.27709 8.590847 -4.274089      7.424574      -4.274089      7.424574      -4.274089      7.424574      12.27709 8.590847 12.27709 8.590847 0.000000       0.000000 
1 1 1 23 33 1  o 33.31699 7.453540 16.08185       5.740584      11.22188       7.792970      20.93475       8.437660      28.32378 10.44115 38.31019 10.63971 -9.986408      14.90708 
1 1 1 23 33 2  o 27.93300 7.338389 10.79680       5.553554      13.68729       8.040927      7.899237       7.665448      30.66282 10.67279 25.20317 10.07469 5.459646       14.67678 
1 1 1 23 33 3  o 25.27155 7.130656 7.552096       5.644236      10.95975       7.630026      4.135233       8.324308      27.96948 10.32788 22.57361 9.834625 5.395868       14.26131 
1 1 1 23 33 4  o 19.75047 6.264787 -0.7063973E-01 5.345269      -4.612021      7.764632      4.470331       7.346645      17.36495 8.249333 22.13600 9.430734 -4.771049      12.52957 
1 1 1 23 33 5  o 19.27274 6.430909 -3.506128      6.752962      -6.135192      11.28564      -0.8770633     7.417490      19.84936 9.566499 18.69613 8.597002 1.153223       12.86182 
1 1 1 23 33 6  o 25.12868 6.950532 7.076016       5.664072      14.05568       7.821308      0.9521592E-01  8.196787      30.47890 10.53395 19.77846 9.070579 10.70044       13.90106 
1 1 1 23 33 7  o 20.63350 6.654142 -0.7055471E-01 6.464623      4.295343       7.757547      -4.436325      10.34340      21.82126 9.500364 19.44574 9.319524 2.375517       13.30828 
1 1 1 23 33 8  o 30.29956 7.581605 14.56577       5.764672      13.19137       7.757547      15.94017       8.529759      29.21292 10.45145 31.38619 10.98591 -2.173267      15.16321 
1 1 1 23 33 9  o 28.79535 7.394760 13.06385       5.710830      8.062181       7.700871      18.07261       8.437660      24.24765 9.940122 33.34304 10.95098 -9.095385      14.78952 
1 1 1 23 33 10 f 24.69808 7.197081 8.969000       5.827016      11.15812       8.033843      6.772799       8.444746      26.37599 10.38659 23.02017 9.965473 3.355820       14.39416 
1 1 1 23 33 11 o 24.16398 6.708644 5.875190       5.880150      -3.927657      9.054014      15.67804       7.509589      17.75784 8.560970 30.57013 10.33119 -12.81229      13.41729 
1 1 1 23 34 0  o 26.01599 12.63430 13.08510       7.637110      13.08510       7.637110      13.08510       7.637110      26.01599 12.63430 26.01599 12.63430 0.000000       0.000000 
1 1 1 23 34 1  o 21.25397 6.536604 2.727539       5.551428      9.769550       7.998421      -4.311637      7.700871      25.56969 10.26200 16.93824 8.099384 8.631454       13.07321 
1 1 1 23 34 2  o 23.78799 6.850707 7.424574       5.260962      4.292510       7.438744      10.56302       7.445828      21.24520 9.275940 26.33078 10.08393 -5.085581      13.70141 
1 1 1 23 34 3  o 21.35010 6.381910 1.536632       5.452953      12.40499       7.877984      -9.330310      7.537927      27.78585 10.44737 14.91435 7.332636 12.87151       12.76382 
1 1 1 23 34 4  o 28.43717 7.244063 12.97175       5.338893      15.03335       7.530843      10.90307       7.566265      30.56175 10.34580 26.31260 10.14250 4.249147       14.48813 
1 1 1 23 34 5  o 22.84033 6.739819 6.711164       5.293552      10.93850       7.679617      2.480290       7.282885      26.05228 10.18167 19.62838 8.833698 6.423901       13.47964 
1 1 1 23 34 6  o 27.70278 7.234619 12.90091       5.304179      12.82298       7.644195      12.98592       7.360813      27.50682 10.30131 27.89875 10.16080 -0.3919258     14.46924 
1 1 1 24 0  0  o 171.8512 6.498701 296.9121       22.26664      296.9121       22.26664      296.9121       22.26664      171.8512 6.498701 171.8512 6.498701 0.000000       0.000000 
1 1 1 24 0  1  o 19.99267 11.42338 5.299220       7.078141      5.299220       7.078141      5.299220       7.078141      19.99267 11.42338 19.99267 11.42338 0.000000       0.000000 
1 1 1 24 0  2  o 168.3433 4.508012 284.3017       15.15378      284.3017       15.15378      284.3017       15.15378      168.3433 4.508012 168.3433 4.508012 0.000000       0.000000 
1 1 1 24 0  3  o 114.5990 4.653125 132.1263       10.62678      132.1263       10.62678      132.1263       10.62678      114.5990 4.653125 114.5990 4.653125 0.000000       0.000000 
1 1 1 24 0  4  o 197.5840 4.643637 391.4904       18.32765      391.4904       18.32765      391.4904       18.32765      197.5840 4.643637 197.5840 4.643637 0.000000       0.000000 
1 1 1 24 0  5  o 110.7854 3.824482 123.2706       8.451830      123.2706       8.451830      123.2706       8.451830      110.7854 3.824482 110.7854 3.824482 0.000000       0.000000 
1 1 1 24 0  6  o 76.80391 4.656771 59.70832       7.098687      59.70832       7.098687      59.70832       7.098687      76.80391 4.656771 76.80391 4.656771 0.000000       0.000000 
1 1 1 24 0  7  o 41.40651 7.999617 18.93692       5.926908      18.93692       5.926908      18.93692       5.926908      41.40651 7.999617 41.40651 7.999617 0.000000       0.000000 
1 1 1 24 0  8  o 121.0277 3.674763 147.0037       8.876901      147.0037       8.876901      147.0037       8.876901      121.0277 3.674763 121.0277 3.674763 0.000000       0.000000 
1 1 1 24 0  9  o 73.30120 4.489402 54.40201       6.530509      54.40201       6.530509      54.40201       6.530509      73.30120 4.489402 73.30120 4.489402 0.000000       0.000000 
1 1 1 24 0  10 o 162.1723 3.590465 263.6149       11.63278      263.6149       11.63278      263.6149       11.63278      162.1723 3.590465 162.1723 3.590465 0.000000       0.000000 
1 1 1 24 0  11 o 178.9286 3.634121 320.8578       12.99301      320.8578       12.99301      320.8578       12.99301      178.9286 3.634121 178.9286 3.634121 0.000000       0.000000 
1 1 1 24 0  12 o 132.2752 3.645450 175.5544       9.627860      175.5544       9.627860      175.5544       9.627860      132.2752 3.645450 132.2752 3.645450 0.000000       0.000000 
1 1 1 24 0  13 o 20.46185 10.63680 6.213122       5.588976      6.213122       5.588976      6.213122       5.588976      20.46185 10.63680 20.46185 10.63680 0.000000       0.000000 
1 1 1 24 0  14 o 9.456771 6.766953 -6.683534      5.292135      -6.683534      5.292135      -6.683534      5.292135      9.456771 6.766953 9.456771 6.766953 0.000000       0.000000 
1 1 1 24 0  15 o 89.22711 4.308974 80.33842       7.651280      80.33842       7.651280      80.33842       7.651280      89.22711 4.308974 89.22711 4.308974 0.000000       0.000000 
1 1 1 24 0  16 o 18.74093 10.31604 5.022215       5.503253      5.022215       5.503253      5.022215       5.503253      18.74093 10.31604 18.74093 10.31604 0.000000       0.000000 
1 1 1 24 0  17 o 67.74919 6.746251 47.50878       8.976085      47.50878       8.976085      47.50878       8.976085      67.74919 6.746251 67.74919 6.746251 0.000000       0.000000 
1 1 1 24 0  18 o 218.1519 3.907938 477.4256       17.03827      477.4256       17.03827      477.4256       17.03827      218.1519 3.907938 218.1519 3.907938 0.000000       0.000000 
1 1 1 24 0  19 o 23.77938 10.92993 8.373900       5.655571      8.373900       5.655571      8.373900       5.655571      23.77938 10.92993 23.77938 10.92993 0.000000       0.000000 
1 1 1 24 0  20 o 20.11650 10.27209 6.072848       5.158946      6.072848       5.158946      6.072848       5.158946      20.11650 10.27209 20.11650 10.27209 0.000000       0.000000 
1 1 1 24 0  21 f 153.9390 3.321599 237.7564       10.21588      237.7564       10.21588      237.7564       10.21588      153.9390 3.321599 153.9390 3.321599 0.000000       0.000000 
1 1 1 24 0  22 o 75.06847 4.228697 57.07287       6.306637      57.07287       6.306637      57.07287       6.306637      75.06847 4.228697 75.06847 4.228697 0.000000       0.000000 
1 1 1 24 0  23 o 45.29863 6.476766 21.39524       5.686742      21.39524       5.686742      21.39524       5.686742      45.29863 6.476766 45.29863 6.476766 0.000000       0.000000 
1 1 1 24 0  24 f 11.39965 7.906140 -3.810054      5.821349      -3.810054      5.821349      -3.810054      5.821349      11.39965 7.906140 11.39965 7.906140 0.000000       0.000000 
1 1 1 24 0  25 o 117.4995 3.816410 139.0691       8.947746      139.0691       8.947746      139.0691       8.947746      117.4995 3.816410 117.4995 3.816410 0.000000       0.000000 
1 1 1 24 0  26 o 17.76405 10.43400 4.030382       6.143694      4.030382       6.143694      4.030382       6.143694      17.76405 10.43400 17.76405 10.43400 0.000000       0.000000 
1 1 1 24 0  27 o 55.75135 5.956660 32.47543       6.507838      32.47543       6.507838      32.47543       6.507838      55.75135 5.956660 55.75135 5.956660 0.000000       0.000000 
1 1 1 24 0  28 o 17.63211 10.35695 4.048802       6.053721      4.048802       6.053721      4.048802       6.053721      17.63211 10.35695 17.63211 10.35695 0.000000       0.000000 
1 1 1 24 0  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 0  30 o 70.80801 5.306999 51.63905       7.431659      51.63905       7.431659      51.63905       7.431659      70.80801 5.306999 70.80801 5.306999 0.000000       0.000000 
1 1 1 24 0  31 o 20.79105 10.74239 6.818849       5.680366      6.818849       5.680366      6.818849       5.680366      20.79105 10.74239 20.79105 10.74239 0.000000       0.000000 
1 1 1 24 0  32 o 51.48481 6.458855 28.55769       6.480209      28.55769       6.480209      28.55769       6.480209      51.48481 6.458855 51.48481 6.458855 0.000000       0.000000 
1 1 1 24 0  33 o 15.58745 9.893567 2.222413       6.518465      2.222413       6.518465      2.222413       6.518465      15.58745 9.893567 15.58745 9.893567 0.000000       0.000000 
1 1 1 24 0  34 o 92.52811 4.618434 88.34394       8.501422      88.34394       8.501422      88.34394       8.501422      92.52811 4.618434 92.52811 4.618434 0.000000       0.000000 
1 1 1 24 0  35 o 37.28727 9.428979 17.47751       6.072140      17.47751       6.072140      17.47751       6.072140      37.28727 9.428979 37.28727 9.428979 0.000000       0.000000 
1 1 1 24 0  36 o 13.05925 8.415089 1.261753       4.908862      1.261753       4.908862      1.261753       4.908862      13.05925 8.415089 13.05925 8.415089 0.000000       0.000000 
1 1 1 24 0  37 o 12.19053 8.078400 0.3791634      4.954912      0.3791634      4.954912      0.3791634      4.954912      12.19053 8.078400 12.19053 8.078400 0.000000       0.000000 
1 1 1 24 1  0  o 40.67031 10.68946 19.66662       7.495420      19.66662       7.495420      19.66662       7.495420      40.67031 10.68946 40.67031 10.68946 0.000000       0.000000 
1 1 1 24 1  1  f 315.9276 3.972785 1001.042       25.10045      988.9987       35.14629      1013.794       35.85475      313.9757 5.596976 317.8795 5.639676 -3.903748      7.945570 
1 1 1 24 1  2  o 243.2491 3.473844 593.4700       16.91074      569.2410       23.25847      617.6283       24.54785      238.2925 4.880236 248.2056 4.945065 -9.913071      6.947689 
1 1 1 24 1  3  o 107.6270 3.394518 116.3278       7.304138      125.3251       10.56302      107.2596       10.08835      111.8173 4.723338 103.4366 4.876587 8.380653       6.789037 
1 1 1 24 1  4  o 257.3428 3.240485 663.7485       16.65570      653.6885       25.56803      673.8793       21.34565      255.3297 5.006866 259.3560 4.115126 -4.026337      6.480970 
1 1 1 24 1  5  o 298.5646 3.122042 893.3577       18.64645      903.9844       26.60945      882.7309       26.12062      300.3383 4.429913 296.7909 4.400508 3.547363       6.244085 
1 1 1 24 1  6  o 46.49638 4.505004 21.77072       4.175615      19.58161       5.873065      23.96692       5.936826      44.13966 6.652822 48.85311 6.076201 -4.713455      9.010009 
1 1 1 24 1  7  o 176.1059 2.567967 310.6561       9.046929      311.7896       12.80881      309.4518       12.77339      176.4374 3.629845 175.7744 3.633461 0.6629944      5.135933 
1 1 1 24 1  8  f 96.91684 2.828699 94.15324       5.482708      93.16142       7.729208      95.07423       7.778800      96.42404 4.007926 97.40965 3.992829 -0.9856033     5.657398 
1 1 1 24 1  9  f 99.07864 2.768151 98.40395       5.486251      100.1042       7.849646      96.63282       7.665448      99.95222 3.926699 98.20505 3.902777 1.747177       5.536302 
1 1 1 24 1  10 o 75.59892 3.121357 57.46252       4.704828      63.43477       6.718248      51.48319       6.588602      79.54928 4.222696 71.64857 4.597860 7.900703       6.242713 
1 1 1 24 1  11 o 107.5443 2.658371 115.9736       5.721456      110.0226       7.849646      121.9245       8.324308      104.7841 3.745629 110.3046 3.773329 -5.520462      5.316742 
1 1 1 24 1  12 o 112.8518 2.685554 127.6630       6.060097      129.5050       8.664365      125.8210       8.480167      113.6650 3.811360 112.0386 3.784487 1.626457       5.371109 
1 1 1 24 1  13 o 100.7196 3.154439 102.3713       6.445494      87.06872       7.637110      117.7447       10.38590      93.16331 4.098776 108.2759 4.796038 -15.11256      6.308878 
1 1 1 24 1  14 o 117.1624 2.701378 137.7939       6.328599      131.8429       8.898154      143.6740       8.997337      114.6399 3.880915 119.6849 3.758760 -5.045029      5.402757 
1 1 1 24 1  15 o 64.42300 3.994334 41.91909       5.077474      37.45584       7.757547      46.38942       6.554596      60.91782 6.367224 67.92818 4.824651 -7.010368      7.988667 
1 1 1 24 1  16 o 64.51446 3.627252 41.91201       4.680032      39.56703       6.479500      44.25698       6.755087      62.70538 5.166622 66.32353 5.092527 -3.618153      7.254504 
1 1 1 24 1  17 o 193.4748 3.775240 375.6920       14.60828      375.6920       14.60828      ?              ?             193.4748 3.775240 ?        ?        ?              ?        
1 1 1 24 1  18 o 178.5721 2.473963 320.0785       8.820225      328.2257       11.80281      311.9313       13.11344      180.8870 3.262481 176.2573 3.719972 4.629684       4.947926 
1 1 1 24 1  19 o 79.53050 3.430078 64.29908       5.260254      76.93786       6.577975      51.66030       8.210957      87.53231 3.757455 71.52870 5.739623 16.00361       6.860157 
1 1 1 24 1  20 o 105.1700 2.684879 111.1561       5.627233      116.5403       7.537927      105.8427       8.359732      107.7383 3.498258 102.6016 4.073879 5.136688       5.369758 
1 1 1 24 1  21 o 60.45814 3.662876 36.88908       4.425699      37.35666       5.926199      36.42859       6.574432      60.87091 4.867842 60.04537 5.474555 0.8255386      7.325751 
1 1 1 24 1  22 o 202.4935 2.571646 412.1064       10.41424      413.4525       13.72979      410.6895       15.65678      202.9002 3.383387 202.0869 3.873776 0.8133240      5.143291 
1 1 1 24 1  23 o 125.1273 2.634624 157.5597       6.613398      148.2081       8.607689      166.9112       10.04585      121.4429 3.543926 128.8117 3.899432 -7.368820      5.269248 
1 1 1 24 1  24 o 47.41361 5.474470 23.68354       5.029299      18.89441       6.841519      28.46559       7.374983      42.08106 8.426448 52.74617 6.991014 -10.66511      10.94894 
1 1 1 24 1  25 f 31.56114 6.552174 10.48509       4.638234      15.18921       6.720373      5.780259       6.394486      37.38945 9.067437 25.73283 9.460735 11.65661       13.10435 
1 1 1 24 1  26 o 81.77619 3.099393 67.58630       5.070390      68.33726       7.445828      66.83534       6.886151      82.20145 4.529013 81.35094 4.232374 0.8505096      6.198786 
1 1 1 24 1  27 o 78.48209 3.203648 62.80425       4.973331      52.65213       7.068932      72.97054       6.997378      72.00462 4.908666 84.95956 4.118064 -12.95495      6.407297 
1 1 1 24 1  28 o 35.09871 5.829302 13.37557       4.386024      20.61595       6.381025      6.133067       6.019715      44.57438 7.157729 25.62304 9.202715 18.95134       11.65860 
1 1 1 24 1  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 1  30 o 20.63075 5.900633 0.2485249      4.248586      6.259880       6.025383      -5.762547      5.991377      25.53889 9.203614 15.72261 7.386703 9.816281       11.80127 
1 1 1 24 1  31 o 27.07302 5.761150 6.537593       4.198285      -2.295384      5.669739      15.37340       6.192576      17.11835 7.744156 37.02770 8.531790 -19.90935      11.52230 
1 1 1 24 1  32 o 36.34131 5.956838 15.14670       4.250711      15.26005       5.812139      15.04043       6.203912      36.61179 8.150015 36.07083 8.689816 0.5409546      11.91368 
1 1 1 24 1  33 o 22.47217 6.165439 2.976915       4.519214      9.316141       6.223749      -3.359478      6.553887      27.74741 9.405205 17.19693 7.974502 10.55048       12.33088 
1 1 1 24 1  34 o 27.91701 6.411917 9.245295       4.211746      11.19354       5.589684      7.304138       6.302387      30.36649 8.734282 25.46753 9.389517 4.898962       12.82383 
1 1 1 24 1  35 o 37.82456 5.539267 16.83990       4.107604      19.87207       5.395568      13.80772       6.195411      42.45397 6.354610 33.19516 9.074845 9.258812       11.07853 
1 1 1 24 1  36 o 52.45693 4.232622 30.74681       4.356270      34.77081       5.775299      26.72280       6.524132      56.64562 5.097745 48.26824 6.758204 8.377380       8.465243 
1 1 1 24 1  37 f 18.44008 5.624155 2.190533       3.805095      0.4237958      5.000961      3.957411       5.736334      16.63023 7.406842 20.24992 8.465408 -3.619694      11.24831 
1 1 1 24 2  0  o 23.18353 11.97318 7.962997       7.054762      7.962997       7.054762      7.962997       7.054762      23.18353 11.97318 23.18353 11.97318 0.000000       0.000000 
1 1 1 24 2  1  o 51.81963 5.642742 27.92717       5.545760      20.61595       7.835476      35.24548       7.849646      44.40682 9.135449 59.23244 6.626138 -14.82562      11.28548 
1 1 1 24 2  2  o 154.5952 2.893481 239.3858       8.954830      241.2987       13.87857      237.5439       11.31397      155.1749 4.471911 154.0154 3.673000 1.159500       5.786961 
1 1 1 24 2  3  o 138.9036 2.904688 193.2656       8.083434      196.3120       12.58919      190.2902       10.13795      139.9607 4.497400 137.8465 3.677260 2.114258       5.809376 
1 1 1 24 2  4  o 103.4328 2.820353 107.8972       5.825599      90.61098       7.800055      125.1126       8.657280      95.10297 4.100847 111.7627 3.873064 -16.65974      5.640706 
1 1 1 24 2  5  o 59.49930 3.765522 35.56428       4.474581      32.87925       6.263422      38.24931       6.392360      57.24486 5.470729 61.75375 5.175687 -4.508888      7.531044 
1 1 1 24 2  6  o 34.83791 5.590344 12.70254       4.119648      5.479167       5.674699      19.92875       5.973666      25.14987 8.944807 44.52595 6.708072 -19.37608      11.18069 
1 1 1 24 2  7  f 41.84095 5.260904 18.49767       4.185533      11.88782       5.869523      25.10045       5.969415      33.68867 8.663999 49.99323 5.970222 -16.30456      10.52181 
1 1 1 24 2  8  o 39.82465 5.238282 16.30856       4.084224      14.31073       5.645652      18.31348       5.902820      36.98286 7.868157 42.66643 6.917406 -5.683575      10.47656 
1 1 1 24 2  9  o 46.37691 4.519489 21.74947       4.172781      18.43391       5.731375      25.06503       6.067182      42.80933 6.694072 49.94450 6.073923 -7.135166      9.038979 
1 1 1 24 2  10 o 183.4388 2.573164 337.1522       9.443663      334.6726       13.24805      339.5609       13.45350      182.7751 3.624138 184.1024 3.653809 -1.327255      5.146329 
1 1 1 24 2  11 o 165.8520 2.401060 275.9420       7.927575      255.7511       11.66112      296.0620       10.73304      159.7641 3.649481 171.9400 3.121160 -12.17596      4.802119 
1 1 1 24 2  12 o 173.6868 2.416362 302.2964       8.395153      302.5797       12.72379      301.9422       10.95267      173.7533 3.661454 173.6203 3.154201 0.1330261      4.832725 
1 1 1 24 2  13 o 219.6678 2.550130 483.7309       11.19354      477.0714       16.82573      490.4612       14.76414      218.1084 3.857195 221.2272 3.336871 -3.118851      5.100261 
1 1 1 24 2  14 o 158.5527 2.576848 252.1380       8.175533      246.5412       11.50526      257.7348       11.60444      156.7897 3.669010 160.3157 3.619247 -3.526016      5.153697 
1 1 1 24 2  15 o 85.09490 2.878513 72.82884       4.915238      67.04079       6.449036      78.56730       7.417490      81.73136 3.945264 88.45844 4.192641 -6.727081      5.757026 
1 1 1 24 2  16 o 98.02005 2.724458 96.42028       5.337476      97.69550       7.155363      95.14508       7.920490      98.68792 3.625248 97.35219 4.067957 1.335732       5.448917 
1 1 1 24 2  17 o 246.4716 2.707854 609.9061       13.32598      625.8463       17.88132      593.9660       19.76581      249.7522 3.579813 243.1910 4.063843 6.561188       5.415707 
1 1 1 24 2  18 o 45.49341 4.451886 21.02685       4.064388      18.32765       5.302053      23.72605       6.162114      42.56695 6.227899 48.41986 6.363208 -5.852913      8.903771 
1 1 1 24 2  19 o 171.4310 2.497915 294.9285       8.565183      295.0702       11.10144      294.8576       13.04260      171.5122 3.236341 171.3498 3.805840 0.1624451      4.995830 
1 1 1 24 2  20 o 60.15084 3.888478 36.61279       4.667280      33.58061       6.570890      39.63787       6.630400      57.63605 5.700331 62.66564 5.290299 -5.029594      7.776956 
1 1 1 24 2  21 o 51.00168 4.754812 27.01326       4.517088      32.46126       5.600311      21.55819       7.091603      56.73853 4.935193 45.26484 8.128766 11.47369       9.509624 
1 1 1 24 2  22 o 154.7020 2.669068 240.7319       8.260548      232.5847       11.48400      248.8083       11.87365      152.0943 3.775291 157.3097 3.773973 -5.215424      5.338136 
1 1 1 24 2  23 o 101.9744 2.911549 104.7092       5.945328      101.1669       8.062181      108.2514       8.735210      100.2647 4.020449 103.6841 4.212418 -3.419365      5.823098 
1 1 1 24 2  24 o 80.16815 3.740940 65.17048       6.002004      62.86801       8.239295      67.46586       8.728126      78.76587 5.230244 81.57044 5.350054 -2.804573      7.481880 
1 1 1 24 2  25 o 80.29819 3.597599 65.44677       5.784509      63.04512       7.835476      67.84134       8.508506      78.85329 4.968390 81.74310 5.204419 -2.889809      7.195198 
1 1 1 24 2  26 o 88.19819 3.187775 78.63815       5.624399      77.64632       7.814223      79.70082       8.090520      87.63319 4.458484 88.76319 4.557362 -1.130005      6.375549 
1 1 1 24 2  27 o 41.69255 5.498528 18.60394       4.445535      23.01760       6.346311      14.19029       6.227291      47.28810 6.710262 36.09700 8.712497 11.19110       10.99706 
1 1 1 24 2  28 o 82.23042 3.314632 68.75524       5.450828      66.48820       7.644195      70.98687       7.771716      80.87379 4.726002 83.58705 4.648875 -2.713257      6.629263 
1 1 1 24 2  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 2  30 o 26.07302 6.459137 6.139443       4.430658      9.025676       5.496169      3.251085       6.951329      28.76461 8.763825 23.38144 9.490900 5.383173       12.91827 
1 1 1 24 2  31 o 43.06335 5.566514 20.16962       4.675782      20.28297       5.760421      20.06335       7.367898      43.95142 6.553169 42.17529 9.000015 1.776134       11.13303 
1 1 1 24 2  32 o 20.28617 6.084423 1.116520       4.407279      2.738166       5.428158      -0.5047719     6.944245      20.62437 8.381788 19.94798 8.821929 0.6763935      12.16885 
1 1 1 24 2  33 o 57.06224 14.76011 53.77857       16.96742      53.77857       16.96742      ?              ?             57.06224 14.76011 ?        ?        ?              ?        
1 1 1 24 2  34 o 15.48384 5.236567 -6.296719      4.555345      -7.268716      5.557804      -5.327558      7.219123      13.79069 6.662022 17.17699 8.081088 -3.386303      10.47313 
1 1 1 24 2  35 o 53.51687 4.624060 31.72447       4.928699      31.99368       6.125274      31.45526       7.722124      54.42245 5.627525 52.61129 7.338847 1.811153       9.248119 
1 1 1 24 2  36 o 28.45990 5.940054 9.783719       4.160029      15.00501       5.244668      4.557470       6.458246      35.04329 7.692564 21.87651 9.053255 13.16678       11.88011 
1 1 1 24 2  37 o 21.87011 5.997443 4.940034       4.118230      8.175533       5.110063      1.702410       6.459663      24.72774 8.517663 19.01247 8.445514 5.715271       11.99489 
1 1 1 24 3  0  f 145.2071 3.661905 211.4020       10.61969      211.4020       10.61969      211.4020       10.61969      145.2071 3.661905 145.2071 3.661905 0.000000       0.000000 
1 1 1 24 3  1  o 189.3542 2.449502 359.2559       9.323226      379.4468       14.57994      339.1359       11.62569      194.6493 3.745181 184.0592 3.158141 10.59013       4.899004 
1 1 1 24 3  2  o 121.7534 2.463277 148.5623       5.974374      139.7067       8.841478      157.4180       8.033843      118.1092 3.742925 125.3976 3.203348 -7.288391      4.926553 
1 1 1 24 3  3  o 155.3080 2.401551 241.5112       7.452912      239.5276       11.25730      243.4949       9.776634      154.6558 3.639469 155.9602 3.134336 -1.304428      4.803103 
1 1 1 24 3  4  o 89.92173 2.726467 80.97604       4.891151      78.49645       7.346645      83.52647       6.461080      88.51388 4.149996 91.32958 3.537233 -2.815704      5.452934 
1 1 1 24 3  5  o 33.96717 5.675014 12.12161       3.809345      13.38265       5.701620      10.85348       5.051970      35.74306 8.153262 32.19128 7.896041 3.551777       11.35003 
1 1 1 24 3  6  o 273.3197 2.781449 748.1251       15.23171      763.7111       23.32223      733.2476       19.58869      276.0629 4.224079 270.5765 3.619807 5.486420       5.562899 
1 1 1 24 3  7  o 218.7919 2.526478 479.5510       11.03768      468.0033       16.45733      491.0279       14.71454      216.1420 3.807065 221.4418 3.322440 -5.299789      5.052955 
1 1 1 24 3  8  o 111.4394 2.488006 124.4041       5.556387      127.5922       8.572267      121.2161       7.074599      112.8530 3.797978 110.0258 3.214974 2.827278       4.976012 
1 1 1 24 3  9  o 232.2536 2.577881 540.4070       11.97283      540.6904       18.17179      540.0528       15.60011      232.2912 3.911425 232.2161 3.358963 0.7505798E-01  5.155762 
1 1 1 24 3  10 o 117.2847 2.457624 137.7939       5.760421      136.4478       8.664365      139.1399       7.594603      116.6978 3.712308 117.8716 3.221558 -1.173759      4.915248 
1 1 1 24 3  11 o 177.1590 2.405761 314.4109       8.522675      312.8523       12.88674      315.9695       11.15103      176.6966 3.646573 177.6214 3.138989 -0.9248199     4.811522 
1 1 1 24 3  12 o 121.0126 2.489201 146.7912       6.023257      146.2953       9.124859      147.2163       7.863815      120.8032 3.776747 121.2221 3.243557 -0.4189377     4.978401 
1 1 1 24 3  13 o 185.2739 2.462607 344.0950       9.117774      347.4247       12.08619      340.7653       13.65895      186.1995 3.245494 184.3483 3.704659 1.851227       4.925214 
1 1 1 24 3  14 o 38.30104 6.402917 15.47259       4.866355      17.55543       6.366147      13.38974       7.360813      40.92603 8.064837 35.67605 9.947251 5.249973       12.80583 
1 1 1 24 3  15 o 123.9781 2.524688 154.2299       6.247837      158.6932       8.352647      149.6959       9.294888      125.8119 3.319498 122.1442 3.804882 3.667702       5.049376 
1 1 1 24 3  16 o 43.70205 5.956980 20.30423       4.970498      12.41208       7.573349      28.19638       6.437701      34.53651 10.24072 52.86758 6.088515 -18.33107      11.91396 
1 1 1 24 3  17 o 31.27229 5.884434 10.38590       3.884441      6.264131       5.122107      14.50201       5.841185      25.49642 8.532292 37.04817 8.105938 -11.55175      11.76887 
1 1 1 24 3  18 o 79.90898 3.521789 64.32742       5.629357      64.06529       6.447619      64.58955       9.231127      79.84682 4.037493 79.97114 5.771537 -0.1243134     7.043578 
1 1 1 24 3  19 o 118.1775 2.607836 140.2026       6.151486      143.7449       8.118857      136.7312       9.245295      119.6916 3.391574 116.6634 3.962382 3.028214       5.215673 
1 1 1 24 3  20 o 96.52796 2.921519 93.72817       5.638568      93.79901       7.771716      93.65733       8.175533      96.57912 4.023497 96.47681 4.237046 0.1023102      5.843038 
1 1 1 24 3  21 o 57.80911 3.927706 33.77190       4.539051      34.52994       6.329308      33.01385       6.507129      58.47310 5.412154 57.14511 5.693513 1.327988       7.855412 
1 1 1 24 3  22 o 41.94685 5.224867 18.26389       4.302428      16.69112       5.827016      19.84373       6.331434      39.78832 7.594651 44.10538 7.177620 -4.317062      10.44973 
1 1 1 24 3  23 o 32.51283 6.374723 11.20062       4.348477      13.44641       6.052303      8.947746       6.246420      35.46104 8.608179 29.56463 9.404659 5.896404       12.74945 
1 1 1 24 3  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 3  25 o 158.9034 2.793266 254.6884       8.876901      260.1435       12.47583      249.3042       12.62461      160.6169 3.883725 157.1899 4.015720 3.427017       5.586531 
1 1 1 24 3  26 o 88.90008 3.151974 80.05505       5.584725      86.71449       7.800055      73.39561       7.991336      92.65756 4.209076 85.14259 4.692913 7.514969       6.303947 
1 1 1 24 3  27 o 174.1325 2.715941 306.3346       9.457831      292.7323       13.12053      319.9368       13.63061      170.2592 3.853104 178.0058 3.828699 -7.746567      5.431882 
1 1 1 24 3  28 o 88.18517 3.061235 78.92152       5.379274      83.31393       7.289969      74.52913       7.913406      90.72624 4.017563 85.64409 4.619937 5.082153       6.122470 
1 1 1 24 3  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 3  30 o 47.80447 4.573333 23.95275       4.353436      20.14128       5.941077      27.75714       6.364022      43.88939 6.768238 51.71954 6.152435 -7.830154      9.146666 
1 1 1 24 3  31 o 94.58356 2.889865 91.24860       5.477040      86.71449       7.261631      95.85353       8.203872      92.28159 3.934496 96.88553 4.233796 -4.603943      5.779731 
1 1 1 24 3  32 o 93.73940 3.004255 90.46929       5.649903      84.02238       7.396237      96.91621       8.543928      90.49115 4.086718 96.98763 4.404648 -6.496483      6.008510 
1 1 1 24 3  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 3  34 o 56.28833 4.625470 34.76373       5.268047      30.17296       6.326474      39.36158       8.423491      52.94297 5.974802 59.63370 7.062694 -6.690735      9.250940 
1 1 1 24 3  35 o 47.26447 5.541712 27.05577       4.686408      39.26948       6.145111      14.83498       7.076725      60.71127 5.060931 33.81767 9.860491 26.89360       11.08342 
1 1 1 24 3  36 o 16.84966 5.452998 -1.251834      4.160738      -1.608186      5.173115      -0.8947747     6.519173      15.76439 7.219736 17.93494 8.174115 -2.170553      10.90600 
1 1 1 24 3  37 o 56.65645 4.339602 37.29290       4.953495      32.58170       6.215247      41.99702       7.715039      53.45758 5.813252 59.85532 6.444741 -6.397743      8.679204 
1 1 1 24 4  0  o 77.87093 3.884376 61.13939       6.017590      61.13939       6.017590      61.13939       6.017590      77.87093 3.884376 77.87093 3.884376 0.000000       0.000000 
1 1 1 24 4  1  o 147.0599 2.406301 216.6445       7.054762      226.2795       9.401155      207.0096       10.52051      150.3461 3.126505 143.7738 3.658702 6.572311       4.812602 
1 1 1 24 4  2  o 113.8990 2.522748 129.9301       5.734209      126.7420       8.699788      133.1181       7.474166      112.4876 3.866999 115.3104 3.240889 -2.822845      5.045497 
1 1 1 24 4  3  o 91.85381 2.717870 84.51830       4.983958      82.81801       7.559181      86.21858       6.499337      90.91699 4.157188 92.79063 3.502151 -1.873642      5.435740 
1 1 1 24 4  4  o 60.66137 3.386822 37.15829       4.133816      43.39976       6.392360      30.91683       5.242543      65.79019 4.858141 55.53254 4.720244 10.25765       6.773643 
1 1 1 24 4  5  o 29.43237 5.673239 8.954830       3.739208      14.59411       5.717206      3.307761       4.820306      37.36034 7.895383 21.50438 8.148957 15.85596       11.34648 
1 1 1 24 4  6  o 63.91755 3.334531 41.06895       4.286842      45.12130       6.603478      37.00952       5.467831      67.07407 4.922527 60.76103 4.499455 6.313042       6.669061 
1 1 1 24 4  7  o 122.4444 2.442432 150.1918       5.976499      148.2789       9.089437      152.0338       7.757547      121.6634 3.735484 123.2254 3.147706 -1.561996      4.884864 
1 1 1 24 4  8  o 73.74850 2.986113 54.55079       4.383191      51.72406       6.632525      57.37751       5.732792      71.81976 4.617479 75.67725 3.787659 -3.857491      5.972225 
1 1 1 24 4  9  o 200.9681 2.463889 404.5968       9.897071      400.2044       14.93416      408.9184       12.98592      199.8611 3.736137 202.0751 3.213142 -2.214096      4.927778 
1 1 1 24 4  10 o 111.5592 2.526248 124.6875       5.635026      125.8210       7.424574      123.5540       8.473083      112.0808 3.312153 111.0376 3.815411 1.043182       5.052496 
1 1 1 24 4  11 o 262.7105 2.743222 692.0157       14.44533      671.9666       18.50476      711.9940       22.18871      258.9586 3.572919 266.4625 4.163571 -7.503906      5.486445 
1 1 1 24 4  12 o 154.5484 2.424852 239.5276       7.474166      253.4132       10.24421      225.7127       10.88182      159.0392 3.220655 150.0576 3.625880 8.981598       4.849703 
1 1 1 24 4  13 o 137.9947 2.441119 190.9278       6.727458      196.2411       9.082352      185.6144       9.925409      139.9348 3.245209 136.0545 3.647585 3.880249       4.882239 
1 1 1 24 4  14 o 92.54672 2.793061 85.93520       5.180908      83.31393       6.775633      88.62732       7.835476      91.13493 3.717364 93.95853 4.169647 -2.823601      5.586121 
1 1 1 24 4  15 o 92.05087 2.814147 85.15590       5.158237      91.24860       7.025717      79.06322       7.552096      95.37251 3.683303 88.72923 4.255698 6.643272       5.628294 
1 1 1 24 4  16 o 42.39702 5.660952 18.78106       4.760087      22.79798       7.452912      14.75705       5.924074      47.39323 7.862846 37.40081 8.146235 9.992413       11.32190 
1 1 1 24 4  17 o 100.3391 2.704596 101.0961       5.422490      102.5130       7.197870      99.67917       8.111773      101.0696 3.560849 99.60870 4.071820 1.460884       5.409192 
1 1 1 24 4  18 f 110.1768 3.945864 122.6330       8.784801      116.8945       8.444746      128.3006       15.41591      107.8709 3.914284 112.4827 6.852573 -4.611771      7.891728 
1 1 1 24 4  19 o 25.33937 6.342534 5.647069       4.065805      6.967623       5.552845      4.327223       5.939660      26.72674 8.883807 23.95200 9.054772 2.774734       12.68507 
1 1 1 24 4  20 o 122.1996 3.121987 150.9711       7.530843      131.7012       11.23604      170.2410       10.01751      114.2675 4.916553 130.1316 3.848991 -15.86410      6.243975 
1 1 1 24 4  21 o 229.4327 2.827599 529.2843       12.97175      530.7012       18.28514      527.7966       18.41266      229.7536 3.979294 229.1119 4.018268 0.6416626      5.655198 
1 1 1 24 4  22 o 41.48881 5.484656 18.18596       4.411529      22.73422       6.300971      13.64478       6.175574      47.26732 6.665251 35.71030 8.712073 11.55702       10.96931 
1 1 1 24 4  23 o 28.56521 5.961506 7.141194       4.420031      -1.630856      5.969415      15.91891       6.520590      18.54315 8.192718 38.58728 8.662425 -20.04412      11.92301 
1 1 1 24 4  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 4  25 o 25.66590 6.558047 5.794427       4.377523      6.959122       5.817098      4.629732       6.543260      26.65116 9.092749 24.68064 9.452717 1.970510       13.11609 
1 1 1 24 4  26 o 93.05069 2.957783 87.70633       5.535842      77.92970       7.061139      97.55381       8.529759      87.86744 4.018064 98.23393 4.341555 -10.36649      5.915567 
1 1 1 24 4  27 o 25.25739 6.310115 5.989960       4.007712      6.492960       5.222707      5.486959       6.079933      25.51466 8.615685 25.00012 9.221722 0.5145435      12.62023 
1 1 1 24 4  28 o 72.41936 3.425319 53.40310       4.957746      54.42327       6.732417      52.38292       7.275800      73.17461 4.600241 71.66411 5.076320 1.510506       6.850638 
1 1 1 24 4  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 4  30 o 62.90166 3.704875 40.70764       4.663030      40.16921       6.249253      41.23898       6.922991      62.56869 4.993914 63.23464 5.474049 -0.6659546     7.409750 
1 1 1 24 4  31 o 40.12335 5.836658 17.78922       4.597144      15.12545       6.755795      20.46009       6.235793      36.35048 9.263659 43.89622 7.102881 -7.545738      11.67332 
1 1 1 24 4  32 o 38.92050 6.114855 17.42792       4.646736      18.75272       6.854979      16.09602       6.275465      40.38848 8.733632 37.45252 8.560927 2.935959       12.22971 
1 1 1 24 4  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 4  34 o 37.52433 12.44847 20.00668       10.90307      20.00668       10.90307      ?              ?             37.52433 12.44847 ?        ?        ?              ?        
1 1 1 24 4  35 o 41.47050 6.069790 21.29606       4.985375      28.76314       7.068932      13.82190       7.030676      50.46583 7.003682 32.47517 9.915537 17.99066       12.13958 
1 1 1 24 4  36 f 63.47810 4.360507 45.72348       5.530175      39.70872       7.459997      51.73115       8.168448      59.11630 6.309595 67.83989 6.020388 -8.723591      8.721013 
1 1 1 24 4  37 o 62.12280 4.524719 45.51094       5.524507      53.23307       7.729208      37.78882       7.892153      68.44745 5.646090 55.79815 7.072057 12.64930       9.049438 
1 1 1 24 5  0  o 12.59570 8.151526 0.1329056      4.681449      0.1329056      4.681449      0.1329056      4.681449      12.59570 8.151526 12.59570 8.151526 0.000000       0.000000 
1 1 1 24 5  1  o 191.3170 2.256441 366.4821       8.636027      363.6483       12.17120      369.2451       12.24913      190.5864 3.193093 192.0477 3.189086 -1.461288      4.512883 
1 1 1 24 5  2  f 129.0003 2.437481 166.9112       6.248545      153.3090       9.245295      180.5135       8.409323      123.7200 3.736380 134.2806 3.131250 -10.56061      4.874963 
1 1 1 24 5  3  o 266.7969 2.540436 712.7025       13.55268      719.0786       19.34073      706.6807       19.00068      267.9551 3.608950 265.6387 3.576413 2.316406       5.080871 
1 1 1 24 5  4  o 179.4107 2.407199 322.3456       8.628942      316.7488       13.00009      327.9423       11.34231      177.8343 3.655113 180.9870 3.133461 -3.152679      4.814398 
1 1 1 24 5  5  o 91.28077 2.664148 83.66816       4.896110      91.88619       7.601687      75.45012       6.171323      95.76595 3.968889 86.79559 3.555090 8.970352       5.328297 
1 1 1 24 5  6  o 332.8668 3.127329 1110.852       20.85682      1135.648       32.08578      1086.057       26.65904      336.5167 4.767339 329.2170 4.048856 7.299683       6.254659 
1 1 1 24 5  7  o 205.9320 2.483936 424.8586       10.21588      435.6270       13.70146      414.0192       15.15378      208.5716 3.284593 203.2925 3.727089 5.279160       4.967871 
1 1 1 24 5  8  o 82.10001 2.874797 67.55088       4.717580      68.05388       6.208163      67.05496       7.105771      82.41638 3.766340 81.78362 4.344251 0.6327591      5.749594 
1 1 1 24 5  9  o 189.7534 2.447830 360.6728       9.287803      360.9562       12.27038      360.3894       13.94941      189.8486 3.231624 189.6583 3.677513 0.1902771      4.895661 
1 1 1 24 5  10 o 79.40096 2.908780 63.20807       4.617689      63.53395       6.199661      62.88218       6.845770      79.61629 3.893463 79.18563 4.322608 0.4306564      5.817559 
1 1 1 24 5  11 o 107.9157 2.546635 116.6820       5.496169      117.6030       7.325392      115.8319       8.189702      108.3393 3.380764 107.4922 3.809441 0.8471222      5.093270 
1 1 1 24 5  12 o 62.36661 3.456820 39.20572       4.326515      34.64329       5.659822      43.77523       6.544678      58.72694 4.818761 66.00629 4.957616 -7.279350      6.913640 
1 1 1 24 5  13 f 215.4575 2.882725 465.8779       12.45458      457.8015       14.36032      474.0251       20.35382      213.7045 3.359854 217.2105 4.685275 -3.506058      5.765451 
1 1 1 24 5  14 o 129.7767 2.854864 169.0366       7.431659      165.6360       8.487252      172.5080       12.20662      128.5383 3.301448 131.0151 4.658480 -2.476776      5.709728 
1 1 1 24 5  15 o 103.2758 2.704616 107.2596       5.562055      116.4695       7.715039      97.97889       8.012589      107.7585 3.579783 98.79310 4.055238 8.965385       5.409233 
1 1 1 24 5  16 o 146.1648 3.015980 214.6609       8.813140      213.4565       13.64478      215.7944       11.15103      145.6981 4.682554 146.6316 3.802398 -0.9334869     6.031960 
1 1 1 24 5  17 o 86.52057 3.085042 75.23758       5.337476      74.88335       7.637110      75.66265       7.459997      86.28977 4.425270 86.75137 4.299643 -0.4615936     6.170084 
1 1 1 24 5  18 o 40.54274 5.482316 17.30748       4.358396      12.78047       5.795135      21.82740       6.512089      34.70353 8.422695 46.38195 7.020068 -11.67842      10.96463 
1 1 1 24 5  19 o 197.2449 2.719531 390.8529       10.73304      387.0981       14.87749      394.6077       15.46550      196.3107 3.789271 198.1792 3.901899 -1.868500      5.439061 
1 1 1 24 5  20 o 186.2420 2.711260 348.7000       10.10252      343.5283       14.00609      353.8717       14.55868      184.8725 3.788042 187.6115 3.880008 -2.739059      5.422520 
1 1 1 24 5  21 o 95.27969 3.015687 91.46112       5.748378      84.51830       7.842561      98.47480       8.409323      91.63898 4.279053 98.92040 4.250550 -7.281425      6.031374 
1 1 1 24 5  22 o 50.93853 4.594674 26.76531       4.576599      33.25473       6.496503      20.27589       6.447619      57.30532 5.668324 44.57174 7.232856 12.73358       9.189347 
1 1 1 24 5  23 o 109.6656 2.880762 121.1453       6.293177      127.0962       8.310139      115.2651       9.450747      112.4116 3.696298 106.9195 4.419562 5.492149       5.761523 
1 1 1 24 5  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 5  25 o 93.62096 3.030549 88.55647       5.686742      85.22675       7.403321      91.88619       8.636027      91.91436 4.027293 95.32757 4.529659 -3.413208      6.061097 
1 1 1 24 5  26 o 40.42342 5.963710 17.66170       4.774257      23.23722       6.888276      12.08619       6.611272      47.45958 7.256992 33.38726 9.465697 14.07232       11.92742 
1 1 1 24 5  27 f 126.4116 2.867109 161.8104       7.254546      173.8541       10.63386      149.8376       9.868733      131.1074 4.055401 121.7158 4.054008 9.391640       5.734218 
1 1 1 24 5  28 o 76.83221 3.620758 60.38135       5.565597      65.26966       8.161365      55.50011       7.573349      79.95007 5.104038 73.71435 5.136958 6.235725       7.241515 
1 1 1 24 5  29 o 65.06389 9.211718 45.98560       11.98701      45.98560       11.98701      ?              ?             65.06389 9.211718 ?        ?        ?              ?        
1 1 1 24 5  30 o 22.80505 6.383992 3.769672       4.323681      3.454411       6.271215      4.085641       5.953120      22.67122 9.091701 22.93888 8.964507 -0.2676544     12.76798 
1 1 1 24 5  31 o 56.07875 4.381284 33.37516       4.820306      26.26939       6.817431      40.48802       6.816723      49.73992 6.853078 62.41758 5.460579 -12.67766      8.762568 
1 1 1 24 5  32 o 41.68274 6.383654 20.79306       5.348811      29.04653       8.770633      12.53960       6.128817      50.45301 9.017167 32.91246 9.038521 17.54056       12.76731 
1 1 1 24 5  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 5  34 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 5  35 o 26.97823 6.465170 8.806056       4.372564      5.821349       6.536885      11.78864       5.810013      23.49007 9.331334 30.46638 8.950973 -6.976315      12.93034 
1 1 1 24 5  36 o 18.10440 5.631960 0.6017590      4.074306      -1.846934      6.048053      3.050593       5.461455      16.65888 7.700282 19.54991 8.220801 -2.891031      11.26392 
1 1 1 24 5  37 o 40.03880 5.475760 20.53093       4.282591      23.03885       6.013339      18.01593       6.099061      43.58354 6.898634 36.49406 8.505564 7.089481       10.95152 
1 1 1 24 6  0  o 11.99986 7.965127 -0.8692704     4.842976      -0.8692704     4.842976      -0.8692704     4.842976      11.99986 7.965127 11.99986 7.965127 0.000000       0.000000 
1 1 1 24 6  1  o 94.55844 2.460743 89.54830       4.654528      91.24860       6.674324      87.84802       6.488710      95.45560 3.496036 93.66127 3.463924 1.794334       4.921487 
1 1 1 24 6  2  o 133.8777 2.217075 179.4508       5.935409      176.8296       8.345562      182.0721       8.444746      132.8996 3.139799 134.8557 3.131030 -1.956100      4.434150 
1 1 1 24 6  3  o 183.9264 2.233342 338.7108       8.218040      343.2449       11.77447      334.1767       11.46275      185.1560 3.179607 182.6968 3.137096 2.459229       4.466685 
1 1 1 24 6  4  o 98.25624 2.540117 96.70367       5.003795      95.00338       6.093394      98.40395       7.934660      97.41119 3.127666 99.10130 4.003308 -1.690109      5.080234 
1 1 1 24 6  5  o 81.99265 2.788529 67.38085       4.590059      65.21299       5.588267      69.54163       7.282885      80.69373 3.462641 83.29156 4.371922 -2.597832      5.577059 
1 1 1 24 6  6  o 132.0606 2.338528 174.6334       6.191161      170.8077       7.601687      178.5298       9.776634      130.6219 2.909805 133.4994 3.661678 -2.877426      4.677056 
1 1 1 24 6  7  o 201.5494 2.488924 407.0056       10.01751      418.1283       13.44641      395.8120       14.84915      204.3340 3.290303 198.7649 3.735355 5.569092       4.977849 
1 1 1 24 6  8  o 301.9339 2.958653 913.9028       17.88132      903.2760       23.23013      924.5295       27.19038      300.2318 3.868700 303.6359 4.477464 -3.404114      5.917307 
1 1 1 24 6  9  o 89.36205 2.793886 80.05505       4.983958      82.18040       6.686368      77.92970       7.396237      90.56164 3.691612 88.16246 4.194663 2.399178       5.587772 
1 1 1 24 6  10 o 84.45865 2.850018 71.62447       4.781341      76.86702       6.322224      66.36776       7.176617      87.58044 3.609381 81.33685 4.411664 6.243584       5.700036 
1 1 1 24 6  11 o 82.69951 3.067390 68.63481       5.073223      67.40919       7.219123      69.86043       7.127024      81.95666 4.404233 83.44237 4.270627 -1.485710      6.134779 
1 1 1 24 6  12 o 74.60223 3.043961 55.91810       4.520631      59.45327       6.079933      52.39001       6.692744      76.98268 3.948897 72.22178 4.633467 4.760902       6.087922 
1 1 1 24 6  13 o 111.1165 3.016002 123.9791       6.692035      126.0336       8.586436      121.9245       10.26547      112.0808 3.830467 110.1521 4.659678 1.928688       6.032004 
1 1 1 24 6  14 o 60.61066 3.848575 37.37791       4.617689      29.77623       6.343478      44.97960       6.712580      54.35137 5.835618 66.86994 5.019132 -12.51857      7.697150 
1 1 1 24 6  15 o 124.1959 3.102722 154.9384       7.722124      158.1264       12.16412      151.8212       9.521592      125.3961 4.850276 122.9956 3.870704 2.400497       6.205443 
1 1 1 24 6  16 o 216.9140 2.788104 472.7499       12.10036      494.8536       17.49876      450.6461       16.71238      221.9881 3.941372 211.8399 3.944577 10.14822       5.576209 
1 1 1 24 6  17 o 142.9230 2.709699 205.1676       7.743378      206.8679       10.87473      203.4673       11.03059      143.5223 3.788518 142.3237 3.875177 1.198547       5.419397 
1 1 1 24 6  18 o 110.9000 3.071428 123.7665       6.851437      116.9654       8.416408      130.5677       10.81097      107.9098 3.899740 113.8901 4.746231 -5.980270      6.142856 
1 1 1 24 6  19 o 53.28098 4.292303 28.77731       4.581558      26.65904       6.138735      30.90266       6.803971      51.32388 5.980388 55.23808 6.158768 -3.914200      8.584606 
1 1 1 24 6  20 o 139.1529 2.600944 194.6117       7.219123      202.4755       9.620775      186.7479       10.76138      142.0144 3.387254 136.2915 3.947930 5.722931       5.201888 
1 1 1 24 6  21 o 91.42059 3.558815 84.37660       6.526258      87.84802       10.08127      80.97604       8.295970      93.21532 5.407517 89.62586 4.628112 3.589462       7.117630 
1 1 1 24 6  22 o 104.4764 3.099799 109.9517       6.479500      112.4313       9.287803      107.5430       9.032760      105.6352 4.396168 103.3176 4.371354 2.317574       6.199599 
1 1 1 24 6  23 o 38.55602 6.762789 16.13144       5.241126      12.86548       7.325392      19.39741       7.502505      34.64083 10.01027 42.47120 9.095917 -7.830368      13.52558 
1 1 1 24 6  24 o 67.68506 4.360974 46.91368       5.892902      51.21398       8.494337      42.60629       8.175533      70.83618 5.995761 64.53394 6.334290 6.302238       8.721948 
1 1 1 24 6  25 o 80.24500 3.518600 65.26257       5.645652      64.68165       8.083434      65.85059       7.885069      79.86732 5.060540 80.62268 4.890106 -0.7553558     7.037201 
1 1 1 24 6  26 o 130.4331 2.847793 171.8704       7.431659      174.4208       10.63386      169.3200       10.37882      131.3946 4.046535 129.4716 4.008147 1.923080       5.695585 
1 1 1 24 6  27 o 58.92414 4.296344 35.94684       5.049136      42.65588       7.545012      29.23781       6.715415      64.52731 5.846371 53.32096 6.297162 11.20635       8.592689 
1 1 1 24 6  28 o 47.69960 5.301648 24.19363       4.926574      22.11078       7.034926      26.27648       6.898195      45.16335 8.080258 50.23586 6.865808 -5.072502      10.60330 
1 1 1 24 6  29 o 53.46986 4.671428 29.82582       5.004504      31.60404       7.410406      28.05469       6.724624      55.01937 6.734361 51.92034 6.475905 3.099030       9.342856 
1 1 1 24 6  30 o 36.79300 6.254184 15.30964       4.556053      16.78322       6.640318      13.82898       6.239335      38.61488 8.792376 34.97111 8.896819 3.643768       12.50837 
1 1 1 24 6  31 o 38.94865 6.185279 17.42792       4.712621      19.31948       6.873399      15.52926       6.449745      41.18473 8.622551 36.71258 8.870306 4.472145       12.37056 
1 1 1 24 6  32 o 41.63611 5.590704 19.36199       4.556762      15.38757       6.163530      23.33640       6.713289      36.69131 8.549659 46.58090 7.206054 -9.889584      11.18141 
1 1 1 24 6  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 6  34 o 39.09393 9.435728 19.53910       7.304138      19.53910       7.304138      ?              ?             39.09393 9.435728 ?        ?        ?              ?        
1 1 1 24 6  35 o 48.54095 4.278801 26.21272       4.141609      23.54894       5.771757      28.86941       5.941785      45.87776 6.290364 51.20413 5.802057 -5.326366      8.557602 
1 1 1 24 6  36 o 21.89717 5.859536 5.349519       3.719372      8.905238       5.435242      1.794508       5.077474      25.82941 8.789246 17.96494 7.751503 7.864471       11.71907 
1 1 1 24 6  37 o 52.00396 4.172938 31.84491       4.317306      38.61771       6.483042      25.06503       5.704454      57.97588 5.591155 46.03203 6.196178 11.94385       8.345876 
1 1 1 24 7  0  f 36.02432 7.467105 14.55160       4.748044      14.55160       4.748044      14.55160       4.748044      36.02432 7.467105 36.02432 7.467105 0.000000       0.000000 
1 1 1 24 7  1  f 101.9156 2.543674 104.0716       5.176658      105.1342       6.383151      102.9380       8.154280      102.4738 3.114530 101.3574 4.022539 1.116379       5.087348 
1 1 1 24 7  2  o 189.6046 2.353890 360.1060       8.891070      372.9290       11.15103      347.2831       13.84315      193.0137 2.888664 186.1956 3.717368 6.818115       4.707781 
1 1 1 24 7  3  o 109.2812 2.427113 119.5867       5.319765      116.4695       6.546803      122.7747       8.388069      107.8585 3.034903 110.7038 3.788520 -2.845268      4.854227 
1 1 1 24 7  4  o 161.8088 2.316940 262.1980       7.481250      266.5196       9.216957      257.8764       11.78864      163.1709 2.824327 160.4467 3.673694 2.724243       4.633881 
1 1 1 24 7  5  o 216.0138 2.431122 467.5073       10.56302      448.3791       12.47583      486.7064       17.04535      211.6292 2.947570 220.3983 3.866942 -8.769150      4.862243 
1 1 1 24 7  6  o 65.89248 3.178493 43.53436       4.182700      44.05153       5.199328      43.02428       6.553179      66.30259 3.920909 65.48237 5.003774 0.8202209      6.356986 
1 1 1 24 7  7  o 91.62002 2.636672 84.16407       4.799760      88.62732       6.040968      79.70082       7.459997      94.07409 3.210751 89.16595 4.183210 4.908142       5.273345 
1 1 1 24 7  8  o 182.2804 2.349211 332.8307       8.543928      338.7816       10.58427      326.8796       13.41808      183.9473 2.876984 180.6134 3.714585 3.333939       4.698423 
1 1 1 24 7  9  o 106.3313 2.583425 113.5648       5.520965      102.0879       7.105771      125.1126       8.451830      100.9377 3.519880 111.7248 3.782432 -10.78714      5.166851 
1 1 1 24 7  10 o 53.23328 3.935254 28.62854       4.203953      24.68954       5.475624      32.57461       6.380316      49.55283 5.525036 56.91372 5.605254 -7.360886      7.870508 
1 1 1 24 7  11 o 81.11994 3.126275 66.11980       5.062596      70.06588       7.148279      62.17373       7.176617      83.55282 4.277700 78.68707 4.560226 4.865753       6.252551 
1 1 1 24 7  12 o 162.9516 2.586210 266.3070       8.430575      266.3779       11.88782      266.2362       11.95158      162.9746 3.647140 162.9286 3.667736 0.4602051E-01  5.172419 
1 1 1 24 7  13 o 93.43513 2.906579 87.70633       5.428866      90.82352       7.637110      84.51830       7.715039      95.12404 4.014290 91.74622 4.204555 3.377823       5.813158 
1 1 1 24 7  14 o 71.28743 3.558935 51.85867       4.980416      64.19282       7.141194      39.52452       6.942828      79.93266 4.467007 62.64221 5.541653 17.29045       7.117869 
1 1 1 24 7  15 o 143.5396 2.713386 206.9388       7.792970      196.2411       10.71888      217.6364       11.31397      139.8276 3.832891 147.2515 3.841717 -7.423965      5.426771 
1 1 1 24 7  16 o 56.34080 4.026520 32.03619       4.536926      32.06453       6.285384      32.01493       6.544678      56.37345 5.574774 56.30815 5.811484 0.6529999E-01  8.053041 
1 1 1 24 7  17 o 89.89836 4.398514 81.82619       7.941744      85.29759       12.56793      78.28393       9.719957      91.71727 6.851455 88.07945 5.517722 3.637817       8.797028 
1 1 1 24 7  18 o 103.2004 3.030825 107.2596       6.246420      98.75818       8.763549      115.7610       8.898154      99.08588 4.422198 107.3150 4.145812 -8.229111      6.061649 
1 1 1 24 7  19 o 116.2868 3.302433 136.5895       7.750463      123.9082       9.422408      149.2708       12.30581      110.9552 4.246042 121.6184 5.059189 -10.66317      6.604867 
1 1 1 24 7  20 o 143.5441 2.803380 207.2222       8.048012      201.4837       11.40607      212.8898       11.34940      141.5557 4.028830 145.5325 3.899266 -3.976837      5.606759 
1 1 1 24 7  21 o 149.1658 2.826372 224.3667       8.430575      204.8134       11.56193      243.8491       12.27038      142.6514 4.052514 155.6802 3.940894 -13.02882      5.652744 
1 1 1 24 7  22 o 53.22890 4.905567 28.88358       5.221290      28.46559       7.502505      29.29448       7.261631      52.82290 7.101565 53.63491 6.769500 -0.8120193     9.811134 
1 1 1 24 7  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 7  24 o 91.31909 3.486187 84.51830       6.368981      85.15590       9.110690      83.88069       8.898154      91.65366 4.970173 90.98452 4.889928 0.6691360      6.972375 
1 1 1 24 7  25 o 76.04280 3.677642 58.70940       5.592519      59.80750       7.977167      57.61838       7.842561      76.75262 5.196674 75.33298 5.205265 1.419640       7.355284 
1 1 1 24 7  26 o 156.4951 2.795314 247.3914       8.749379      249.2334       12.47583      245.6202       12.27038      157.0589 3.971705 155.9312 3.934550 1.127686       5.590629 
1 1 1 24 7  27 o 42.90051 5.217590 19.42575       4.361938      20.22630       5.857479      18.62520       6.464623      44.25868 6.617323 41.54233 8.068707 2.716351       10.43518 
1 1 1 24 7  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 7  29 o 66.99094 3.680416 46.14855       4.946410      41.81283       6.518465      50.49136       7.438744      63.86755 5.103111 70.11432 5.304725 -6.246765      7.360832 
1 1 1 24 7  30 f 26.25981 6.190388 7.410406       3.938992      3.984333       4.726081      10.83223       6.303804      21.49264 8.089768 31.02697 9.372259 -9.534328      12.38078 
1 1 1 24 7  31 o 78.76809 3.273985 64.17865       5.161071      59.95627       7.017214      68.40102       7.573349      76.18776 4.605212 81.34842 4.654884 -5.160660      6.547971 
1 1 1 24 7  32 o 23.13494 5.820814 1.861103       4.417197      12.06493       6.243586      -8.338477      6.250670      31.69613 9.268313 14.57375 7.044562 17.12238       11.64163 
1 1 1 24 7  33 o 17.26303 5.536869 -1.305677      4.157903      -1.848351      5.746961      -0.7622941     6.009797      16.73905 7.642535 17.78701 8.013697 -1.047964      11.07374 
1 1 1 24 7  34 o 65.36212 3.714007 45.89351       4.850770      41.55778       6.669365      50.22215       7.045553      62.17672 5.363234 68.54752 5.139174 -6.370804      7.428014 
1 1 1 24 7  35 o 14.41656 4.775180 -3.695993      3.534466      -5.865981      5.180908      -1.526005      4.808262      13.49001 6.496714 15.34310 7.000149 -1.853084      9.550360 
1 1 1 24 7  36 o 46.47098 4.430703 24.93750       4.122481      25.86557       6.125983      24.00235       5.518839      47.10024 6.503133 45.84172 6.019451 1.258526       8.861406 
1 1 1 24 7  37 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 8  0  o 202.9405 3.290393 412.4607       13.34723      412.4607       13.34723      412.4607       13.34723      202.9405 3.290393 202.9405 3.290393 0.000000       0.000000 
1 1 1 24 8  1  o 75.23170 2.874504 56.76115       4.322973      53.54479       6.032466      59.98461       6.193994      73.09383 4.126523 77.36958 4.002861 -4.275749      5.749007 
1 1 1 24 8  2  o 232.3973 2.445481 540.9738       11.36357      545.8621       16.23063      536.0146       15.91891      233.4531 3.476207 231.3415 3.440566 2.111664       4.890962 
1 1 1 24 8  3  o 58.00445 3.472707 33.87108       4.008420      29.85416       5.656987      37.88800       5.679658      54.54222 5.185880 61.46668 4.620111 -6.924461      6.945414 
1 1 1 24 8  4  o 42.73379 4.480141 18.71021       3.699536      16.06060       5.326140      21.35274       5.136275      39.35464 7.019278 46.11294 5.569234 -6.758293      8.960281 
1 1 1 24 8  5  o 121.1041 2.335273 146.8620       5.654862      143.9574       7.970083      149.8376       8.026759      119.8909 3.323890 122.3173 3.281121 -2.426445      4.670547 
1 1 1 24 8  6  o 171.9096 2.333537 296.0620       8.055097      286.9230       9.649114      305.2010       12.90091      169.2897 2.849883 174.5295 3.695909 -5.239883      4.667074 
1 1 1 24 8  7  o 291.2162 2.773251 850.1422       16.19521      831.7224       19.44700      868.5620       25.90808      288.1485 3.374475 294.2838 4.401887 -6.135284      5.546503 
1 1 1 24 8  8  o 48.58796 4.405828 24.51952       3.965913      31.21438       5.252461      17.82465       5.943202      55.76913 4.709112 41.40679 7.447788 14.36234       8.811656 
1 1 1 24 8  9  o 264.5703 2.752238 701.7923       14.57285      694.6370       18.84482      709.1602       22.23830      263.2571 3.579166 265.8835 4.181963 -2.626434      5.504475 
1 1 1 24 8  10 o 33.21667 5.642264 11.76030       3.757628      8.593520       4.796926      14.93416       5.784509      28.72116 8.037299 37.71218 7.921011 -8.991014      11.28453 
1 1 1 24 8  11 o 73.37274 3.064088 54.07613       4.510713      51.70990       5.788759      56.44944       6.918740      71.78417 4.032058 74.96132 4.614873 -3.177147      6.128177 
1 1 1 24 8  12 f 68.27788 3.899511 47.15455       5.362980      40.88475       6.757213      53.42435       8.331393      63.73631 5.300913 72.81944 5.720583 -9.083122      7.799023 
1 1 1 24 8  13 o 89.05637 3.465782 79.84251       6.133776      75.73349       9.479085      83.88069       7.792970      86.72127 5.465260 91.39148 4.263510 -4.670212      6.931564 
1 1 1 24 8  14 o 149.9815 3.028424 226.3504       9.011506      207.0096       13.53851      245.6911       11.88782      143.4913 4.717537 156.4716 3.798715 -12.98032      6.056847 
1 1 1 24 8  15 o 220.5595 3.139718 489.1151       13.86440      493.4366       21.45900      484.7935       17.54835      221.4202 4.845765 219.6987 3.993730 1.721466       6.279436 
1 1 1 24 8  16 o 70.20607 3.699892 49.77583       5.197911      53.86359       7.615856      45.68806       7.075308      73.09621 5.209474 67.31592 5.255301 5.780296       7.399785 
1 1 1 24 8  17 o 146.8617 3.332319 217.2822       9.790804      231.3804       14.21863      203.2548       13.46058      151.6232 4.688802 142.1002 4.736301 9.523071       6.664639 
1 1 1 24 8  18 o 63.56505 4.023151 41.23898       5.081725      49.35075       7.481250      33.12720       6.876941      69.91730 5.350071 57.21281 6.009967 12.70449       8.046302 
1 1 1 24 8  19 o 65.58475 4.378610 43.59104       5.754045      42.77632       7.119940      44.40576       9.039845      65.06631 5.471296 66.10320 6.837676 -1.036896      8.757219 
1 1 1 24 8  20 o 135.1920 2.867461 183.9849       7.757547      191.6362       11.36357      176.2628       10.57010      138.0055 4.117071 132.3786 3.992375 5.626892       5.734922 
1 1 1 24 8  21 o 237.1740 2.977750 566.4781       14.11944      560.6688       19.97834      572.2166       19.97126      235.9565 4.233479 238.3916 4.188751 -2.435028      5.955500 
1 1 1 24 8  22 o 96.86699 3.452610 94.86169       6.692035      99.60831       9.790804      90.11507       9.131943      99.28220 4.930795 94.45179 4.834182 4.830406       6.905220 
1 1 1 24 8  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 8  24 f 90.71519 3.161555 83.31393       5.706579      89.97337       7.800055      76.65448       8.331393      94.41780 4.130606 87.01260 4.787464 7.405205       6.323110 
1 1 1 24 8  25 o 66.01939 3.726402 44.32783       4.930116      42.52836       6.519173      46.12730       7.396237      64.72556 5.036012 67.31324 5.493895 -2.587685      7.452805 
1 1 1 24 8  26 o 66.19393 3.658614 44.62538       4.847936      43.71148       6.379609      45.54636       7.304138      65.58311 4.863758 66.80475 5.466781 -1.221634      7.317228 
1 1 1 24 8  27 o 26.87626 6.208393 6.548220       4.269130      11.63986       5.777424      1.455160       6.287509      32.57419 8.700521 21.17833 8.858751 11.39586       12.41679 
1 1 1 24 8  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 8  29 o 19.94654 5.798990 -0.3897901     4.177740      -6.891110      5.637859      6.111814       6.166365      14.51293 6.937382 25.38016 9.294399 -10.86723      11.59798 
1 1 1 24 8  30 o 73.10442 3.218290 54.84125       4.734583      51.73824       5.718623      57.95135       7.545012      71.23241 4.014060 74.97643 5.031589 -3.744026      6.436580 
1 1 1 24 8  31 o 35.65060 5.371866 14.36740       3.985042      22.64212       5.134858      6.091977       6.096227      46.50327 5.520965 24.79794 9.216655 21.70533       10.74373 
1 1 1 24 8  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 8  33 o 37.52730 5.898229 16.76197       4.482375      11.14395       6.236501      22.37291       6.439118      30.17630 9.364318 44.87830 7.173977 -14.70200      11.79646 
1 1 1 24 8  34 o 23.30180 6.150166 5.963038       3.861062      6.910948       5.778132      5.015130       5.124232      24.55713 8.996661 22.04648 8.387982 2.510653       12.30033 
1 1 1 24 8  35 o 28.85035 5.960531 10.75430       3.716538      13.42516       5.571265      8.076350       4.920197      32.38315 8.495961 25.31755 8.362437 7.065598       11.92106 
1 1 1 24 8  36 o 22.44973 5.994680 6.364022       3.687491      6.466748       5.430991      6.261296       4.990335      22.58855 8.623372 22.31091 8.329598 0.2776356      11.98936 
1 1 1 24 9  0  o 74.45351 4.063785 55.98895       6.013339      55.98895       6.013339      55.98895       6.013339      74.45351 4.063785 74.45351 4.063785 0.000000       0.000000 
1 1 1 24 9  1  o 66.27032 3.109213 44.03736       4.121064      43.98777       5.772465      44.07987       5.882984      66.23724 4.357417 66.30340 4.436412 -0.6616211E-01 6.218427 
1 1 1 24 9  2  o 263.8318 2.567579 697.3291       13.54560      689.1110       19.03610      705.6180       19.28406      262.2708 3.629093 265.3929 3.633115 -3.122070      5.135158 
1 1 1 24 9  3  o 153.3199 2.271628 235.4185       6.966206      238.1815       9.911241      232.6556       9.790804      154.2196 3.213353 152.4202 3.211780 1.799377       4.543255 
1 1 1 24 9  4  o 111.4062 2.380431 124.4041       5.303470      119.2324       7.417490      129.5050       7.580434      109.1030 3.399306 113.7095 3.333246 -4.606468      4.760863 
1 1 1 24 9  5  o 192.4100 2.319732 370.8745       8.926493      361.0979       12.44041      380.6512       12.80881      189.8739 3.275967 194.9460 3.285219 -5.072128      4.639463 
1 1 1 24 9  6  o 79.03155 2.934473 62.71924       4.650986      67.36668       6.990294      58.06470       6.137318      81.96011 4.264449 76.10298 4.032245 5.857132       5.868946 
1 1 1 24 9  7  o 39.15411 5.218240 15.96850       3.945368      16.49984       5.949578      15.44425       5.183742      39.75682 7.759254 38.55141 6.979548 1.205402       10.43648 
1 1 1 24 9  8  o 196.9109 2.820055 389.0109       11.17229      403.3216       18.41266      374.7001       12.66003      200.4404 4.593052 193.3814 3.273333 7.059021       5.640110 
1 1 1 24 9  9  f 94.93287 3.232478 90.82352       6.009797      80.40928       9.606606      101.1669       7.226208      89.41375 5.371996 100.4520 3.596847 -11.03824      6.464956 
1 1 1 24 9  10 o 105.1522 2.996846 111.5103       6.147236      95.78268       9.705790      127.3088       7.545012      97.60916 4.971761 112.6953 3.347528 -15.08613      5.993692 
1 1 1 24 9  11 o 61.05885 4.084070 37.75340       4.866355      32.38333       7.651280      43.11637       6.011213      56.61192 6.757658 65.50578 4.588308 -8.893860      8.168140 
1 1 1 24 9  12 o 151.3704 2.945021 230.0343       8.926493      232.5139       13.92108      227.6256       11.17229      152.1109 4.575964 150.6298 3.708523 1.481049       5.890041 
1 1 1 24 9  13 f 104.9380 2.720060 110.5185       5.715081      108.6057       7.495420      112.4313       8.628942      104.0526 3.601745 105.8233 4.077051 -1.770706      5.440121 
1 1 1 24 9  14 o 131.0271 3.228154 172.7206       8.508506      180.3718       13.73688      165.0693       10.04585      133.8358 5.131991 128.2185 3.917471 5.617279       6.456308 
1 1 1 24 9  15 o 58.05602 4.185552 34.21822       4.826682      29.38658       6.786968      39.05695       6.864190      53.89513 6.296458 62.21692 5.516337 -8.321789      8.371103 
1 1 1 24 9  16 o 75.41555 3.552873 57.31376       5.359438      59.09196       7.615856      55.53553       7.537927      76.59160 4.971731 74.23950 5.076763 2.352097       7.105746 
1 1 1 24 9  17 o 56.58643 4.276687 32.43292       4.842976      35.12504       7.084518      29.74789       6.601354      58.93958 6.009984 54.23327 6.086073 4.706303       8.553373 
1 1 1 24 9  18 o 59.37245 3.910127 35.66346       4.625482      37.61171       6.234376      33.71522       6.835143      61.04287 5.106556 57.70203 5.922792 3.340836       7.820255 
1 1 1 24 9  19 o 172.8258 2.603127 300.1002       8.997337      299.6751       11.82406      300.4544       13.56685      172.7675 3.421957 172.8841 3.923683 -0.1166077     5.206254 
1 1 1 24 9  20 o 66.45573 3.729219 44.83083       4.984667      39.09237       6.386693      50.57637       7.651280      62.20140 5.133882 70.71004 5.410320 -8.508640      7.458439 
1 1 1 24 9  21 o 99.46947 3.066306 99.67917       6.113939      96.13691       7.906322      103.2923       9.330310      97.73235 4.044885 101.2066 4.609537 -3.474228      6.132612 
1 1 1 24 9  22 o 104.8894 6.897198 117.3905       14.23280      149.4125       21.14020      85.36844       19.07152      119.9037 8.815494 89.87510 10.61001 30.02857       13.79440 
1 1 1 24 9  23 o 64.16745 4.178914 41.98994       5.356604      42.54961       7.038468      41.42318       8.076350      64.69248 5.439943 63.64241 6.345101 1.050072       8.357828 
1 1 1 24 9  24 o 56.21515 4.388517 32.28415       4.923031      33.24764       6.571599      31.31357       7.332476      57.14036 5.750400 55.28994 6.630931 1.850418       8.777035 
1 1 1 24 9  25 o 144.3897 2.653107 210.4102       7.644195      217.3530       10.32923      203.4673       11.27855      146.8506 3.516917 141.9289 3.973312 4.921707       5.306214 
1 1 1 24 9  26 o 89.86057 3.121292 81.89703       5.600311      84.16407       7.523758      79.62997       8.295970      91.18324 4.125626 88.53789 4.684983 2.645355       6.242584 
1 1 1 24 9  27 o 114.5173 2.936784 133.1889       6.737377      128.1589       8.926493      138.2189       10.09544      112.4282 3.969864 116.6064 4.328854 -4.178169      5.873568 
1 1 1 24 9  28 o 75.67180 3.510419 59.30450       5.313388      46.81450       6.887568      71.76617       8.090520      67.57312 5.096382 83.77047 4.828981 -16.19735      7.020838 
1 1 1 24 9  29 o 43.15141 5.606518 20.65137       4.601394      26.93534       6.247837      14.36740       6.757213      50.80630 6.148683 35.49652 9.376881 15.30978       11.21304 
1 1 1 24 9  30 o 21.84454 5.832543 3.881608       3.638608      0.8097604      4.885483      6.953454       5.392735      18.14353 7.708946 25.54555 8.754793 -7.402021      11.66509 
1 1 1 24 9  31 o 48.32761 4.107268 24.49118       3.970872      24.22905       5.297094      24.74622       5.917697      48.18928 5.496133 48.46593 6.105008 -0.2766495     8.214536 
1 1 1 24 9  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 9  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 9  34 o 49.75835 4.786848 28.06178       4.483791      25.78764       7.374983      30.33591       5.103686      46.13409 8.294846 53.38261 4.780290 -7.248524      9.573695 
1 1 1 24 9  35 o 23.59377 6.436754 7.056180       4.382482      10.39299       7.091603      3.720789       5.153278      27.24281 9.968229 19.94473 8.146264 7.298079       12.87351 
1 1 1 24 9  36 f 36.98016 5.747301 17.88132       4.252128      16.62736       6.974000      19.14237       4.866355      33.30909 9.813243 40.65124 5.985495 -7.342155      11.49460 
1 1 1 24 10 0  o 135.3920 3.258867 183.7724       8.813140      183.7724       8.813140      183.7724       8.813140      135.3920 3.258867 135.3920 3.258867 0.000000       0.000000 
1 1 1 24 10 1  o 128.7293 2.368953 165.9902       6.100478      165.2110       8.600604      166.7695       8.650196      128.4272 3.348436 129.0314 3.351975 -0.6041565     4.737906 
1 1 1 24 10 2  o 37.74071 5.728498 14.91999       4.217413      15.32381       6.555304      14.50909       5.308429      38.17763 8.765468 37.30379 7.377622 0.8738441      11.45700 
1 1 1 24 10 3  o 180.8223 2.792994 327.9423       10.18045      343.3157       16.79739      312.5689       11.49817      184.9931 4.540005 176.6515 3.254479 8.341583       5.585989 
1 1 1 24 10 4  o 38.88838 5.676759 15.57885       4.347060      14.47367       6.925116      16.68404       5.256712      37.06659 9.339111 40.71017 6.456265 -3.643574      11.35352 
1 1 1 24 10 5  o 133.7993 2.762086 179.5217       7.360813      174.1374       11.73196      184.9059       8.883986      131.7409 4.452664 135.8576 3.269594 -4.116684      5.524171 
1 1 1 24 10 6  o 134.7294 3.225986 0.000000       0.000000      ?              ?             181.8596       8.692703      ?        ?        134.7294 3.225986 ?              ?        
1 1 1 24 10 7  o 63.06112 4.032298 40.70055       4.808971      30.11629       7.530843      51.28483       5.986417      54.62924 6.892684 71.49300 4.186717 -16.86375      8.064595 
1 1 1 24 10 8  o 174.5261 2.800391 305.6970       9.840395      317.5281       16.23771      293.8658       11.10852      177.8122 4.565973 171.2399 3.243556 6.572296       5.600782 
1 1 1 24 10 9  f 107.4479 2.971903 115.9027       6.396611      117.4613       10.39299      114.3441       7.467082      108.1066 4.806823 106.7891 3.496182 1.317535       5.943806 
1 1 1 24 10 10 o 126.0043 2.587797 159.2599       6.525549      159.8976       9.975000      158.6224       8.409323      126.2245 3.951293 125.7841 3.342762 0.4404449      5.175594 
1 1 1 24 10 11 o 110.1132 2.744713 121.9245       5.996336      110.1643       8.848563      133.7557       8.097604      104.7401 4.224057 115.4864 3.505871 -10.74626      5.489425 
1 1 1 24 10 12 o 21.43843 6.013649 2.217454       3.926240      0.3737791      5.800803      4.061554       5.292135      19.94847 8.434322 22.92840 8.574271 -2.979937      12.02730 
1 1 1 24 10 13 o 156.6613 2.589182 246.3287       8.097604      239.8109       12.18537      252.8464       10.66220      154.5448 3.942343 158.7778 3.357586 -4.232971      5.178363 
1 1 1 24 10 14 o 30.26430 6.400681 9.535762       4.194743      10.70471       6.488001      8.366816       5.319056      32.03907 9.473424 28.48953 8.609826 3.549534       12.80136 
1 1 1 24 10 15 o 141.9553 2.397087 202.2630       6.805388      195.3201       9.472000      209.2058       9.776634      139.5176 3.394554 144.3931 3.385424 -4.875458      4.794173 
1 1 1 24 10 16 o 149.7485 2.970773 225.5002       8.820225      236.0561       10.36465      215.0151       14.28239      153.3811 3.378725 146.1159 4.887348 7.265137       5.941545 
1 1 1 24 10 17 o 77.92917 3.054706 61.51487       4.740251      51.87992       6.488710      71.12856       6.911656      71.77013 4.520482 84.08822 4.109765 -12.31809      6.109413 
1 1 1 24 10 18 o 29.86375 6.925207 9.174451       4.909571      12.38374       8.246379      5.959496       5.329682      34.52068 10.77925 25.20682 8.697220 9.313866       13.85041 
1 1 1 24 10 19 o 102.9815 2.999171 106.9054       6.218790      114.3441       9.797889      99.46662       7.658363      106.5077 4.599613 99.45533 3.850152 7.052414       5.998343 
1 1 1 24 10 20 o 186.5619 2.928523 350.4711       10.93141      361.0979       15.89766      339.8443       15.01209      189.3741 4.197422 183.7497 4.084929 5.624359       5.857047 
1 1 1 24 10 21 o 29.62848 6.952109 8.210957       5.059763      4.872732       7.757547      11.55485       6.496503      26.34112 10.24575 32.91583 9.399570 -6.574711      13.90422 
1 1 1 24 10 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 10 23 o 45.80331 6.273246 22.83340       5.695952      27.96259       9.542846      17.70421       6.225874      50.85269 9.729939 40.75394 7.921032 10.09875       12.54649 
1 1 1 24 10 24 o 69.77682 4.296426 50.54803       5.837643      37.61879       8.267632      63.48437       8.239295      60.50710 6.831952 79.04655 5.211673 -18.53944      8.592852 
1 1 1 24 10 25 o 89.30481 3.341952 81.11773       5.898569      73.67899       9.061099      88.55647       7.552096      85.02090 5.328748 93.58872 4.034726 -8.567825      6.683904 
1 1 1 24 10 26 o 86.47780 3.367753 76.08772       5.812847      75.02505       9.039845      77.15040       7.311223      85.70649 5.273723 87.24911 4.189855 -1.542618      6.735506 
1 1 1 24 10 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 10 28 f 99.00430 3.132327 100.0334       6.146527      92.66550       9.408240      107.4013       7.913406      95.12200 4.945354 102.8866 3.845694 -7.764587      6.264654 
1 1 1 24 10 29 o 78.55470 3.611973 63.76067       5.569139      56.51320       8.685618      70.98687       6.971166      73.69970 5.892574 83.40969 4.178870 -9.709991      7.223945 
1 1 1 24 10 30 o 49.00882 5.031228 25.95059       4.961287      27.68630       7.913406      24.22197       5.985001      50.24264 7.875190 47.77501 6.263736 2.467628       10.06246 
1 1 1 24 10 31 o 23.93088 6.450951 5.483417       4.374690      3.730707       6.416448      7.233293       5.948870      22.28256 9.093717 25.57920 9.152233 -3.296637      12.90190 
1 1 1 24 10 32 f 52.90690 4.367387 31.05144       4.618397      34.83458       6.806097      27.27539       6.245711      56.23967 6.050975 49.57414 6.299364 6.665527       8.734775 
1 1 1 24 10 33 o 59.74147 3.786342 38.39100       4.526299      39.19864       6.630400      37.59045       6.163530      60.24965 5.502439 59.23330 5.202759 1.016357       7.572683 
1 1 1 24 10 34 o 26.85181 6.024833 8.954830       3.778882      6.769965       5.676116      11.13686       4.990335      23.84739 8.887425 29.85624 8.136838 -6.008856      12.04967 
1 1 1 24 10 35 o 29.75967 5.939112 11.42733       4.150819      7.955913       6.811056      14.89874       4.745918      24.46908 9.583364 35.05025 7.017931 -10.58117      11.87822 
1 1 1 24 10 36 o 16.29953 5.339985 -0.2213203     4.089183      2.655986       6.806097      -3.098768      4.534800      19.27056 8.610169 13.32850 6.318763 5.942067       10.67997 
1 1 1 24 11 0  o 93.74301 5.079737 88.83985       9.464915      88.83985       9.464915      88.83985       9.464915      93.74301 5.079737 93.74301 5.079737 0.000000       0.000000 
1 1 1 24 11 1  o 120.5601 3.086534 145.8702       7.410406      138.7857       11.21479      153.0256       9.684536      117.5788 4.769052 123.5413 3.919554 -5.962440      6.173067 
1 1 1 24 11 2  o 142.1922 2.938695 202.8297       8.359732      203.3257       12.74505      202.2630       10.81806      142.3443 4.476838 142.0401 3.808101 0.3042145      5.877389 
1 1 1 24 11 3  f 36.41492 6.579625 14.04860       4.845810      16.36524       7.382068      11.73905       6.279008      39.36033 9.477084 33.46952 9.129663 5.890812       13.15925 
1 1 1 24 11 4  o 110.4441 3.112410 122.4913       6.854271      118.0989       10.27963      126.8129       9.075267      108.4471 4.739472 112.4411 4.035566 -3.994034      6.224821 
1 1 1 24 11 5  o 155.8017 2.943218 243.8491       9.231127      260.4977       14.48784      227.2005       11.43441      161.0828 4.497015 150.5206 3.798287 10.56221       5.886436 
1 1 1 24 11 6  o 126.0440 3.040065 159.4725       7.658363      158.4098       11.62569      160.5352       9.975000      125.5864 4.628565 126.5017 3.942635 -0.9153519     6.080131 
1 1 1 24 11 7  o 31.43110 5.965936 9.911241       4.155069      4.769298       6.287509      15.05460       5.433825      24.91670 9.340327 37.94550 7.424815 -13.02880      11.93187 
1 1 1 24 11 8  o 83.38818 3.014481 69.86752       5.046302      73.74983       7.715039      65.99937       6.503587      85.68276 4.502096 81.09359 4.009927 4.589172       6.028962 
1 1 1 24 11 9  f 38.24329 5.174781 15.28839       3.816430      15.36632       5.439492      15.20337       5.355187      38.34121 7.355937 38.14537 7.280360 0.1958427      10.34956 
1 1 1 24 11 10 o 146.0881 2.362658 214.0941       6.905988      204.1050       9.535762      224.0833       9.989170      142.6781 3.341704 149.4981 3.340902 -6.819962      4.725317 
1 1 1 24 11 11 o 150.7916 2.529021 228.1215       7.630026      225.9253       9.875818      230.2468       11.63986      150.1130 3.289462 151.4703 3.842293 -1.357315      5.058041 
1 1 1 24 11 12 o 24.93222 5.845534 4.976873       3.828474      10.16628       5.413280      -0.2140233     5.416114      31.08409 8.476047 18.78035 8.052188 12.30374       11.69107 
1 1 1 24 11 13 o 183.4433 2.405706 337.7190       8.827310      325.8170       12.21371      349.6918       12.75213      180.2030 3.388875 186.6837 3.415438 -6.480743      4.811413 
1 1 1 24 11 14 o 19.67098 5.594637 -0.2684324E-01 3.783841      5.368648       5.536551      -5.421782      5.159654      24.70480 8.830364 14.63717 6.872010 10.06764       11.18927 
1 1 1 24 11 15 o 26.76195 6.073708 7.134109       3.715121      5.706579       5.134858      8.558097       5.370065      24.74604 8.536917 28.77786 8.641803 -4.031820      12.14742 
1 1 1 24 11 16 o 71.44856 3.647160 52.17039       5.042760      63.98028       6.726750      40.36050       7.516674      79.74667 4.217575 63.15046 5.951400 16.59620       7.294320 
1 1 1 24 11 17 o 40.49352 5.135779 17.07369       4.060137      14.38866       5.548594      19.76581       5.929741      36.87344 7.767443 44.11359 6.720992 -7.240150      10.27156 
1 1 1 24 11 18 o 81.84955 3.736291 67.77050       6.019006      62.33667       9.783719      73.18307       7.015798      78.40964 6.238851 85.28946 4.112934 -6.879822      7.472582 
1 1 1 24 11 19 o 90.49447 2.935096 82.53463       5.313388      87.84802       7.672533      77.22124       7.346645      93.41688 4.106609 87.57206 4.194629 5.844818       5.870192 
1 1 1 24 11 20 o 203.2338 2.754448 415.7195       11.17937      427.9049       15.09002      403.4633       16.49276      206.2960 3.657372 200.1715 4.119656 6.124435       5.508896 
1 1 1 24 11 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 11 22 o 61.35734 4.686141 38.60354       5.784509      40.76431       9.174451      36.44276       7.043427      62.92198 7.290339 59.79269 5.889874 3.129288       9.372281 
1 1 1 24 11 23 o 65.76900 4.113186 44.32074       5.475624      50.90935       8.728126      37.73923       6.615522      70.60366 6.181072 60.93434 5.428403 9.669323       8.226373 
1 1 1 24 11 24 o 82.11407 3.480648 68.61356       5.758296      74.31659       9.075267      62.88218       7.091603      85.43904 5.310960 78.78909 4.500371 6.649948       6.961295 
1 1 1 24 11 25 o 106.4416 3.036458 114.8400       6.453288      113.1397       9.967916      116.4695       8.196787      105.5236 4.723074 107.3596 3.817445 -1.835976      6.072917 
1 1 1 24 11 26 o 77.85439 3.962873 62.67673       6.304513      72.54546       10.49926      52.82216       6.981084      83.75996 6.267467 71.94883 4.851423 11.81113       7.925746 
1 1 1 24 11 27 o 72.00280 3.794031 53.36059       5.484834      56.01020       8.522675      50.70389       6.907404      73.63142 5.787390 70.37418 4.907628 3.257248       7.588063 
1 1 1 24 11 28 o 49.24557 5.371222 26.47484       4.879816      19.98542       7.566265      32.96426       6.164238      42.02153 9.252576 56.46961 5.458014 -14.44808      10.74244 
1 1 1 24 11 29 f 67.71941 3.844447 47.74965       5.243960      51.81617       8.274716      43.67605       6.449036      70.39716 5.877167 65.04166 4.957620 5.355499       7.688893 
1 1 1 24 11 30 o 50.48103 5.538326 28.62145       5.066847      19.78706       7.835476      37.44876       6.429200      41.02864 9.691430 59.93342 5.363618 -18.90477      11.07665 
1 1 1 24 11 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 11 32 o 61.38530 6.421058 44.67497       7.885069      45.87934       11.54068      43.47060       10.75430      61.96515 9.312235 60.80545 8.843203 1.159695       12.84212 
1 1 1 24 11 33 o 21.01181 5.932398 3.644984       3.892234      6.889693       5.863855      0.4000627      5.119981      24.52367 9.054290 17.49995 7.667675 7.023716       11.86480 
1 1 1 24 11 34 o 36.58508 5.443799 16.49276       3.880191      19.42575       5.848269      13.55977       5.102270      40.07061 7.573527 33.09956 7.821858 6.971050       10.88760 
1 1 1 24 11 35 o 21.15291 5.921064 5.170281       3.737791      5.938243       5.293552      4.401611       5.278674      21.96529 8.480068 20.34053 8.265861 1.624760       11.84213 
1 1 1 24 12 0  o 19.64289 11.33770 5.050553       7.053346      5.050553       7.053346      5.050553       7.053346      19.64289 11.33770 19.64289 11.33770 0.000000       0.000000 
1 1 1 24 12 1  o 131.8863 3.240776 174.7751       8.551013      181.8596       12.36957      167.6197       11.80989      134.5728 4.595864 129.1998 4.570398 5.373032       6.481552 
1 1 1 24 12 2  o 79.48020 3.865611 63.63314       6.143694      59.16990       8.487252      68.08930       8.883986      76.68559 5.533799 82.27482 5.398970 -5.589233      7.731223 
1 1 1 24 12 3  o 72.11394 4.294572 52.57421       6.184784      46.49569       8.473083      58.65273       9.011506      67.91621 6.237895 76.31166 5.904410 -8.395447      8.589144 
1 1 1 24 12 4  o 60.88587 3.795439 37.35666       4.646736      34.39534       5.903528      40.31799       7.176617      58.49017 5.046599 63.28157 5.670384 -4.791409      7.590878 
1 1 1 24 12 5  o 90.80589 3.247109 83.66816       6.040260      66.98412       6.724624      100.3876       10.03876      81.69295 4.115792 99.91885 5.023458 -18.22590      6.494219 
1 1 1 24 12 6  o 143.9774 2.575027 208.0014       7.396237      214.6609       9.620775      201.2712       11.22896      146.3351 3.287241 141.6196 3.964480 4.715515       5.150054 
1 1 1 24 12 7  o 57.03410 4.052023 33.31849       4.440576      41.84116       5.923365      24.79581       6.617648      64.52773 4.589783 49.54047 6.679032 14.98725       8.104047 
1 1 1 24 12 8  o 142.5075 2.565832 203.6799       7.318307      201.9088       9.479085      205.5219       11.15103      141.9091 3.339844 143.1059 3.896078 -1.196732      5.131664 
1 1 1 24 12 9  o 139.6872 2.586213 195.7452       7.219123      197.3747       9.394071      194.1158       10.96683      140.3043 3.347748 139.0701 3.942916 1.234238       5.172427 
1 1 1 24 12 10 o 83.90656 3.131137 70.73183       5.260254      69.86752       6.689910      71.62447       8.118857      83.42188 4.009686 84.39124 4.810249 -0.9693680     6.262274 
1 1 1 24 12 11 o 67.78667 4.069228 46.44610       5.418239      50.57637       6.307346      42.31583       8.813140      70.92768 4.446322 64.64565 6.816500 6.282036       8.138455 
1 1 1 24 12 12 o 135.4948 2.652954 184.4809       7.162447      193.0531       9.557014      175.8377       10.67637      138.7019 3.445164 132.2877 4.035284 6.414185       5.305909 
1 1 1 24 12 13 o 82.34447 3.543929 68.33018       5.837643      66.47403       8.175533      70.17923       8.331393      81.22538 5.032623 83.46355 4.991037 -2.238174      7.087859 
1 1 1 24 12 14 o 205.3752 2.680005 423.5833       11.01642      420.2536       14.37449      426.9131       16.69112      204.6292 3.512326 206.1213 4.048859 -1.492142      5.360009 
1 1 1 24 12 15 o 57.16310 4.707627 33.36100       5.490501      28.30265       6.152903      38.42642       9.096521      52.90046 5.815549 61.42575 7.404485 -8.525291      9.415255 
1 1 1 24 12 16 o 112.7032 2.816509 127.8047       6.372524      121.7120       8.090520      133.8974       9.847479      110.0617 3.675446 115.3446 4.268722 -5.282883      5.633018 
1 1 1 24 12 17 o 83.25163 3.327673 69.91711       5.491918      74.95419       7.015798      64.90127       8.451830      86.32848 4.063432 80.17479 5.270878 6.153694       6.655346 
1 1 1 24 12 18 o 129.7894 3.065666 169.7450       7.955913      164.4317       11.33523      175.0584       11.15812      127.7349 4.437014 131.8439 4.231564 -4.109032      6.131331 
1 1 1 24 12 19 o 107.7076 3.064548 116.8945       6.587184      120.2243       8.685618      113.5648       9.904156      109.3054 3.973097 106.1097 4.666940 3.195663       6.129097 
1 1 1 24 12 20 o 70.63577 4.371200 50.85267       6.129525      53.81400       7.800055      47.89843       9.457831      72.85248 5.353322 68.41906 6.911694 4.433418       8.742400 
1 1 1 24 12 21 o 145.6949 2.989481 214.4483       8.706873      215.3693       11.33523      213.5274       13.21971      146.1250 3.878608 145.2649 4.550208 0.8600616      5.978962 
1 1 1 24 12 22 o 32.38332 6.906648 11.19354       4.865647      10.77555       6.249961      11.60444       7.459997      31.73729 9.270704 33.02934 10.24018 -1.292049      13.81330 
1 1 1 24 12 23 o 38.46046 6.417132 16.08185       4.877691      16.84698       6.349145      15.31673       7.410406      39.54337 8.293376 37.37755 9.794807 2.165817       12.83426 
1 1 1 24 12 24 o 23.47211 6.728130 2.996042       4.917363      3.686074       7.112856      2.305302       6.794053      24.26940 9.703374 22.67482 9.322847 1.594574       13.45626 
1 1 1 24 12 25 o 41.85687 5.997341 18.84482       4.924448      17.09494       7.382068      20.59469       6.519173      39.25372 9.493236 44.46003 7.331500 -5.206310      11.99468 
1 1 1 24 12 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 12 27 o 52.72079 4.789148 29.06778       5.019381      27.56586       7.644195      30.56261       6.503587      51.11082 7.478059 54.33077 5.985179 -3.219952      9.578296 
1 1 1 24 12 28 o 20.92353 5.833705 -1.411236      4.477415      9.719957       7.060431      -12.54668      5.508212      29.79896 10.01745 12.04811 5.981564 17.75085       11.66741 
1 1 1 24 12 29 o 29.77333 6.582561 10.01751       4.494419      8.288886       6.967623      11.75322       5.678241      27.65147 9.903826 31.89520 8.673794 -4.243731      13.16512 
1 1 1 24 12 30 o 41.44045 6.644588 20.25464       5.429574      20.34674       8.600604      20.16254       6.626858      40.77655 10.48825 42.10435 8.160814 -1.327793      13.28918 
1 1 1 24 12 31 o 19.81895 9.464512 0.000000       0.000000      ?              ?             -2.869230      10.42841      ?        ?        19.81895 9.464512 ?              ?        
1 1 1 24 12 32 o 52.23316 7.055937 35.52177       7.467082      43.58395       13.61644      27.45251       6.135192      54.57202 12.70216 49.89431 6.148189 4.677715       14.11187 
1 1 1 24 12 33 o 66.89476 3.485069 48.03303       4.640359      45.19923       6.844352      50.85976       6.266964      64.56731 5.300168 69.22220 4.526701 -4.654884      6.970137 
1 1 1 24 12 34 o 16.40142 5.203904 -0.8480168     3.661988      2.738875       5.354478      -4.434908      4.997419      19.09134 8.089196 13.71151 6.548844 5.379828       10.40781 
1 1 1 24 12 35 o 25.04132 6.112808 8.749379       3.829182      11.32814       5.470665      6.174158       5.359438      28.21365 8.773601 21.86899 8.514083 6.344662       12.22562 
1 1 1 24 13 0  o 64.08711 5.355173 42.05370       6.771382      42.05370       6.771382      42.05370       6.771382      64.08711 5.355173 64.08711 5.355173 0.000000       0.000000 
1 1 1 24 13 1  o 192.4799 2.530429 371.5830       9.755382      364.0733       12.84423      379.0925       14.67912      190.5658 3.370025 194.3941 3.775608 -3.828323      5.060858 
1 1 1 24 13 2  o 133.6503 2.546875 179.2383       6.831601      169.7450       8.756464      188.8024       10.49217      130.1207 3.364747 137.1800 3.824235 -7.059296      5.093751 
1 1 1 24 13 3  o 75.25903 3.639315 56.99495       5.440909      58.94318       6.256337      55.04670       8.905238      76.62930 4.082210 73.88877 6.026112 2.740524       7.278631 
1 1 1 24 13 4  o 33.35936 5.681396 10.43549       4.503628      19.56035       5.567014      1.312761       7.081684      44.02456 6.322623 22.69415 9.441265 21.33041       11.36279 
1 1 1 24 13 5  o 51.34438 4.699110 26.69446       4.738834      29.33699       5.700203      24.05194       7.573349      53.98835 5.279105 48.70040 7.775448 5.287945       9.398220 
1 1 1 24 13 6  o 20.15359 6.078673 0.2386066      4.341393      -0.8324308     5.082433      1.309219       7.039886      17.67946 7.693339 22.62773 9.413479 -4.948269      12.15735 
1 1 1 24 13 7  o 129.8978 2.899029 169.6742       7.622942      156.3553       8.508506      182.9931       12.66003      124.8710 3.406918 134.9245 4.691524 -10.05354      5.798059 
1 1 1 24 13 8  o 97.90207 2.880167 96.27859       5.654862      92.16957       7.297054      100.3876       8.643111      95.83675 3.807023 99.96739 4.322966 -4.130646      5.760334 
1 1 1 24 13 9  o 122.7669 2.709849 151.5378       6.604187      163.8649       8.763549      139.2108       9.882903      127.8150 3.428216 117.7188 4.197674 10.09618       5.419699 
1 1 1 24 13 10 o 21.85946 5.942549 1.148400       4.175615      6.629692       5.420364      -4.332891      6.353395      26.20181 8.777195 17.51711 8.013515 8.684698       11.88510 
1 1 1 24 13 11 o 87.60231 3.117650 77.22124       5.462872      77.15040       6.929367      77.22124       8.444746      87.63159 3.953692 87.57304 4.821544 0.5855560E-01  6.235301 
1 1 1 24 13 12 o 73.90622 3.436457 55.07504       5.102270      51.15730       6.537593      58.99278       7.835476      71.30251 4.584405 76.50992 5.120563 -5.207405      6.872913 
1 1 1 24 13 13 o 26.60501 6.665299 5.978625       4.613438      2.447701       6.376066      9.507423       6.668657      22.61892 9.127205 30.59109 9.715914 -7.972170      13.33060 
1 1 1 24 13 14 o 108.1634 2.897454 118.1698       6.330725      102.3004       7.764632      134.1099       10.00334      100.8895 3.848087 115.4372 4.332804 -14.54774      5.794909 
1 1 1 24 13 15 f 220.8887 3.128977 491.3113       13.81481      492.4449       15.83390      490.1070       22.63503      221.4137 3.575637 220.3637 5.135835 1.049973       6.257953 
1 1 1 24 13 16 o 79.11387 3.450538 63.13722       5.428158      66.26150       6.946370      60.02004       8.345562      81.14461 4.280241 77.08313 5.413352 4.061478       6.901076 
1 1 1 24 13 17 o 97.77400 3.155189 96.42028       6.123149      103.0797       7.962997      89.83168       9.309056      101.2200 3.933510 94.32801 4.934407 6.891991       6.310379 
1 1 1 24 13 18 o 94.27718 3.578718 90.46929       6.701954      74.95419       9.224042      105.9135       9.727042      86.09233 5.357064 102.4620 4.746658 -16.36969      7.157436 
1 1 1 24 13 19 o 33.28277 6.886631 11.00934       5.336767      16.94617       6.930075      5.071097       8.118857      39.69981 8.942883 26.86574 10.47509 12.83407       13.77326 
1 1 1 24 13 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 13 21 o 171.0760 3.199495 296.1328       11.02351      282.8848       12.28455      309.3100       18.31348      167.5808 3.665262 174.5712 5.245276 -6.990326      6.398990 
1 1 1 24 13 22 o 34.07660 6.676670 12.32706       4.905321      15.79139       6.303096      8.855647       7.516674      38.24836 8.464747 29.90484 10.32762 8.343519       13.35334 
1 1 1 24 13 23 o 101.8732 3.265737 105.4176       6.627566      113.9899       9.231127      96.84536       9.514507      106.1021 4.350114 97.64423 4.872027 8.457886       6.531474 
1 1 1 24 13 24 o 30.77155 6.414136 9.613690       4.603519      14.51618       5.962330      4.711204       7.015089      36.50080 8.345442 25.04231 9.742597 11.45849       12.82827 
1 1 1 24 13 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 13 26 o 76.05473 4.045109 60.00587       6.123857      69.07405       8.898154      50.93060       8.416408      81.95246 5.428851 70.15699 5.998267 11.79547       8.090219 
1 1 1 24 13 27 o 81.48541 3.815561 68.69149       6.205329      64.32034       8.806056      73.04137       8.749379      78.80101 5.587527 84.16981 5.197457 -5.368797      7.631122 
1 1 1 24 13 28 o 19.28927 6.104773 -1.790258      4.887609      -3.253211      7.071057      -0.3273756     6.749420      18.59288 8.484491 19.98566 8.779885 -1.392784      12.20955 
1 1 1 24 13 29 o 62.06398 4.729785 41.06895       5.860313      39.54578       8.451830      42.58503       8.125941      60.75966 6.955132 63.36830 6.411678 -2.608635      9.459571 
1 1 1 24 13 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 13 31 f 23.86314 6.862789 4.935784       5.168864      6.837267       7.509589      3.035007       7.105771      25.60877 10.05543 22.11751 9.342361 3.491262       13.72558 
1 1 1 24 13 32 o 28.29657 6.847940 9.868733       4.990335      15.80556       7.594603      3.935450       6.476666      34.61049 10.25353 21.98265 9.079772 12.62784       13.69588 
1 1 1 24 13 33 o 33.96650 6.677050 15.47259       4.930116      11.69654       7.396237      19.25572       6.520590      28.95284 10.22045 38.98017 8.595019 -10.02733      13.35410 
1 1 1 24 13 34 o 29.82199 5.850685 12.01534       3.873106      17.35707       5.740584      6.671490       5.200744      36.75965 8.029847 22.88433 8.511380 13.87533       11.70137 
1 1 1 24 14 0  o 48.41207 6.058750 24.61870       5.716498      24.61870       5.716498      24.61870       5.716498      48.41207 6.058750 48.41207 6.058750 0.000000       0.000000 
1 1 1 24 14 1  o 36.49762 5.459629 14.17612       4.009129      20.99143       5.659822      7.353730       5.680366      45.61080 6.204475 27.38444 8.985247 18.22636       10.91926 
1 1 1 24 14 2  o 65.76365 3.333586 43.62646       4.366188      38.51852       6.123857      48.72731       6.224457      61.88556 4.947727 69.64174 4.468913 -7.756176      6.667172 
1 1 1 24 14 3  o 47.04195 4.395991 22.34457       4.121064      23.48518       5.537968      21.20396       6.104729      48.27492 5.735864 45.80898 6.663245 2.465939       8.791983 
1 1 1 24 14 4  o 245.7238 3.092562 606.7889       15.09711      634.2769       18.44808      579.3719       23.90316      251.4488 3.668358 239.9988 4.979850 11.45000       6.185124 
1 1 1 24 14 5  o 70.99963 3.344187 50.68972       4.752295      49.53495       6.426365      51.83742       7.003046      70.20522 4.576843 71.79404 4.877177 -1.588821      6.688375 
1 1 1 24 14 6  o 85.81650 2.996757 74.17490       5.171698      66.64406       6.616940      81.68449       7.948828      81.46987 4.060974 90.16313 4.408027 -8.693260      5.993514 
1 1 1 24 14 7  o 97.70155 2.813522 95.92437       5.516714      90.68183       7.155363      101.1669       8.395153      95.05090 3.763964 100.3522 4.182845 -5.301300      5.627044 
1 1 1 24 14 8  o 74.13797 3.273761 55.47178       4.804011      61.72740       6.459663      49.20906       7.112856      78.38025 4.120721 69.89570 5.088193 8.484550       6.547523 
1 1 1 24 14 9  o 126.1295 2.907054 160.1101       7.311223      148.8457       10.44966      171.3036       10.23713      121.6717 4.294205 130.5873 3.919650 -8.915581      5.814108 
1 1 1 24 14 10 o 55.76559 4.644336 31.50485       5.153986      32.24873       5.951704      30.75389       8.416408      56.55438 5.261930 54.97680 7.654509 1.577587       9.288671 
1 1 1 24 14 11 o 113.6806 3.159950 130.0009       7.204955      127.9464       8.253463      132.0554       11.80281      112.8920 3.655470 114.4692 5.155450 -1.577255      6.319900 
1 1 1 24 14 12 o 79.96495 3.499956 64.48328       5.557096      68.37976       7.091603      60.57971       8.558097      82.45856 4.300101 77.47134 5.523396 4.987213       6.999913 
1 1 1 24 14 13 o 63.87859 4.098634 41.88367       5.038509      51.97910       6.665823      31.78823       7.559181      71.82447 4.640357 55.93271 6.757388 15.89176       8.197268 
1 1 1 24 14 14 o 38.13523 5.667063 15.41591       4.654528      27.26831       6.175574      3.565638       6.964789      51.90161 5.949309 24.36885 9.647183 27.53276       11.33413 
1 1 1 24 14 15 o 80.60394 3.467217 65.87893       5.632900      56.16605       7.062556      75.59180       8.777717      74.65254 4.730285 86.55535 5.070580 -11.90281      6.934434 
1 1 1 24 14 16 o 91.33450 3.273535 84.09322       5.972248      85.36844       7.651280      82.88886       9.167366      92.08205 4.154599 90.58695 5.059982 1.495094       6.547069 
1 1 1 24 14 17 o 35.94652 6.004180 12.55377       5.067555      23.10970       6.286801      2.001376       7.948828      47.66776 6.594395 24.22528 10.03567 23.44248       12.00836 
1 1 1 24 14 18 o 24.23757 6.892560 3.258878       5.139110      2.761545       6.398736      3.755503       8.040927      22.80015 9.166932 25.67499 10.29548 -2.874847      13.78512 
1 1 1 24 14 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 14 20 o 61.63422 4.615434 38.93651       5.723582      36.01060       7.141194      41.85533       8.947746      59.42476 6.008601 63.84369 7.007542 -4.418922      9.230868 
1 1 1 24 14 21 o 91.86420 3.944200 86.00604       7.105771      93.51564       8.076350      78.49645       11.68946      96.22601 4.196553 87.50239 6.679506 8.723618       7.888400 
1 1 1 24 14 22 o 48.09185 5.493032 24.34949       5.125648      25.03669       6.457538      23.66937       7.962997      49.36124 6.541102 46.82245 8.826529 2.538788       10.98606 
1 1 1 24 14 23 o 103.7491 3.260640 109.3141       6.766423      109.7392       9.146112      108.8182       9.967916      104.0389 4.395526 103.4594 4.817307 0.5794525      6.521281 
1 1 1 24 14 24 o 52.51826 4.631720 28.64979       4.896819      25.83724       6.180533      31.45526       7.594603      50.03796 6.175845 54.99857 6.904364 -4.960609      9.263439 
1 1 1 24 14 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 14 26 o 46.51250 5.326178 24.10153       4.846519      14.94125       5.806470      33.25473       7.764632      36.75574 8.115980 56.26926 6.899532 -19.51352      10.65236 
1 1 1 24 14 27 o 59.77067 4.317114 37.30707       5.141943      38.00135       6.422115      36.61279       8.033843      60.64149 5.295150 58.89985 6.819918 1.741634       8.634228 
1 1 1 24 14 28 o 25.44035 6.922236 5.937534       5.042760      8.218040       7.204955      3.657028       7.056888      27.65736 10.05464 23.22334 9.517020 4.434019       13.84447 
1 1 1 24 14 29 o 48.38364 6.313832 27.41000       5.967998      25.51135       8.480167      29.31573       8.402238      45.97100 9.542343 50.79628 8.270525 -4.825275      12.62766 
1 1 1 24 14 30 o 24.64562 7.335030 6.692744       6.210288      10.50634       9.549930      2.877731       7.941744      27.62589 11.16088 21.66536 9.520792 5.960531       14.67006 
1 1 1 24 14 31 o 22.73133 6.320572 1.753418       5.098727      12.68129       7.637110      -9.174451      6.757213      30.76229 10.41853 14.70037 7.159096 16.06192       12.64114 
1 1 1 24 14 32 o 36.34118 6.772881 17.60503       5.049136      21.22522       7.722124      13.97775       6.505713      40.12562 9.712766 32.55674 9.441918 7.568886       13.54576 
1 1 1 24 14 33 o 41.46249 6.296922 22.60670       5.068264      22.87591       7.346645      22.33040       6.983918      41.48604 9.102510 41.43894 8.703401 0.4710007E-01  12.59384 
1 1 1 24 14 34 o 20.99342 6.318156 4.286133       4.805429      8.380984       7.066098      0.1947534      6.514922      24.15797 9.666173 17.82886 8.138886 6.329107       12.63631 
1 1 1 24 15 0  o 40.69649 7.590773 18.20012       5.569848      18.20012       5.569848      18.20012       5.569848      40.69649 7.590773 40.69649 7.590773 0.000000       0.000000 
1 1 1 24 15 1  o 43.73169 4.641386 19.33365       4.056595      18.55435       5.737751      20.12003       5.737042      42.83661 6.697251 44.62677 6.427804 -1.790157      9.282771 
1 1 1 24 15 2  o 140.0018 2.418160 196.5954       6.769965      193.3365       9.564099      199.8542       9.585353      138.8384 3.444328 141.1652 3.395083 -2.326813      4.836319 
1 1 1 24 15 3  o 158.3199 2.392720 251.5004       7.580434      263.6149       11.00934      239.4567       10.42133      162.1219 3.395390 154.5179 3.372206 7.603943       4.785441 
1 1 1 24 15 4  o 125.5265 2.463251 158.1264       6.184784      155.2218       8.543928      160.9602       8.947746      124.3930 3.434248 126.6600 3.532190 -2.267036      4.926503 
1 1 1 24 15 5  o 42.33675 4.936400 18.63937       4.031091      14.89166       5.607396      22.37999       5.793010      37.61274 7.719478 47.06076 6.154821 -9.448021      9.872800 
1 1 1 24 15 6  o 18.32335 5.437820 -1.710202      3.758337      3.742751       5.236876      -7.162447      5.392735      22.44364 8.497036 14.20306 6.788218 8.240582       10.87564 
1 1 1 24 15 7  o 41.65885 5.143827 17.90258       4.189075      17.84590       5.452245      17.96634       6.361189      41.98221 6.493518 41.33549 7.979351 0.6467247      10.28765 
1 1 1 24 15 8  o 91.00478 2.980061 83.31393       5.442327      79.06322       7.020049      87.56464       8.317224      88.71018 3.956732 93.29936 4.457278 -4.589180      5.960123 
1 1 1 24 15 9  o 51.40101 4.380935 26.71572       4.502919      26.72989       5.950287      26.70863       6.760755      51.44824 5.782790 51.35378 6.582529 0.9445572E-01  8.761869 
1 1 1 24 15 10 o 54.46331 4.417311 30.69721       4.607062      39.94251       6.365439      21.45900       6.660863      62.96085 5.055077 45.96576 7.245462 16.99509       8.834621 
1 1 1 24 15 11 o 97.36655 3.008386 95.99522       5.782383      112.0062       8.076350      80.05505       8.281801      105.5775 3.824844 89.15557 4.644579 16.42195       6.016772 
1 1 1 24 15 12 o 50.60062 4.932241 26.05686       4.990335      25.65304       7.226208      26.45359       6.880484      50.18344 7.199793 51.01780 6.743219 -0.8343582     9.864483 
1 1 1 24 15 13 o 149.7344 3.079257 225.9253       9.110690      241.2987       10.88890      210.4810       14.61536      155.0142 3.512228 144.4545 5.058809 10.55966       6.158514 
1 1 1 24 15 14 o 46.45493 5.934261 22.59253       5.277966      25.49718       6.186910      19.68787       8.551013      50.15049 6.168344 42.75936 10.13969 7.391136       11.86852 
1 1 1 24 15 15 o 124.6252 2.650691 156.2136       6.606313      156.9221       9.167366      155.4343       9.514507      124.9365 3.668811 124.3139 3.826809 0.6226120      5.301381 
1 1 1 24 15 16 o 147.9270 2.563846 220.0451       7.580434      226.8463       10.69762      213.1731       10.74721      150.2396 3.560188 145.6145 3.690298 4.625122       5.127693 
1 1 1 24 15 17 o 72.90723 3.786418 53.84941       5.517423      54.28866       7.516674      53.40310       8.083434      73.24523 5.131169 72.56922 5.569465 0.6760101      7.572835 
1 1 1 24 15 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 15 19 o 78.70308 4.383741 63.25766       6.913073      64.52578       11.20062      61.98954       8.111773      79.24856 7.066768 78.15760 5.189370 1.090958       8.767483 
1 1 1 24 15 20 o 73.57839 3.957128 55.60638       5.880150      44.93710       7.240376      66.27567       9.266549      66.48682 5.444972 80.66997 5.743494 -14.18315      7.914256 
1 1 1 24 15 21 o 26.72965 7.245163 5.469956       5.616605      6.044511       6.106854      4.896110       9.429493      25.70380 9.265373 27.75551 11.14102 -2.051712      14.49033 
1 1 1 24 15 22 o 59.25925 4.495975 36.13813       5.284342      38.41934       6.770674      33.86399       8.118857      61.32990 5.519880 57.18861 7.098316 4.141285       8.991950 
1 1 1 24 15 23 o 50.33327 5.216884 26.85741       5.010880      30.59803       6.580809      23.10970       7.559181      54.53097 6.034010 46.13556 8.512005 8.395409       10.43377 
1 1 1 24 15 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 15 25 o 23.36455 6.555422 3.943242       4.591476      2.821055       5.626524      5.066138       7.254546      21.40367 8.599934 25.32543 9.896232 -3.921757      13.11084 
1 1 1 24 15 26 o 34.09358 6.430156 13.48184       4.626190      8.225125       5.644944      18.74563       7.332476      27.53773 8.957181 40.64943 9.228028 -13.11170      12.86031 
1 1 1 24 15 27 o 60.72351 4.242307 38.85150       5.156821      37.99427       6.446203      39.71581       8.055097      60.37218 5.338719 61.07484 6.594448 -0.7026520     8.484613 
1 1 1 24 15 28 o 80.13840 3.667411 66.87077       5.917697      60.88435       7.396237      72.82884       9.238212      76.75626 4.818002 83.52055 5.530502 -6.764290      7.334821 
1 1 1 24 15 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 15 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 15 31 o 20.01785 6.181859 0.7530842      4.807554      4.774965       7.127024      -3.268796      6.453995      23.11581 9.533834 16.91989 7.871944 6.195929       12.36372 
1 1 1 24 15 32 o 31.59008 6.632117 13.57394       5.029299      21.57236       7.502505      5.579058       6.700537      40.33511 9.454834 22.84505 9.303011 17.49007       13.26423 
1 1 1 24 15 33 o 29.68231 6.970178 13.02134       4.899652      11.42733       7.127024      14.60828       6.728167      27.68992 10.00662 31.67470 9.705719 -3.984781      13.94036 
1 1 1 24 16 0  o 76.62426 4.352245 59.43911       6.624732      59.43911       6.624732      59.43911       6.624732      76.62426 4.352245 76.62426 4.352245 0.000000       0.000000 
1 1 1 24 16 1  o 61.52583 3.588707 38.39100       4.406570      44.56161       6.520590      32.21330       5.928325      66.52148 4.901116 56.53019 5.243504 9.991299       7.177414 
1 1 1 24 16 2  o 51.87600 4.100287 27.29665       4.235125      23.71897       5.890777      30.86724       6.087018      48.43945 6.080558 55.31256 5.502383 -6.873116      8.200574 
1 1 1 24 16 3  o 87.35895 2.885881 76.79617       5.042760      70.80267       6.928658      82.81801       7.325392      83.93246 4.127520 90.78545 4.034452 -6.852989      5.771761 
1 1 1 24 16 4  f 34.72649 5.795143 12.80172       3.975122      14.55868       5.586851      11.04476       5.655571      37.14548 7.771505 32.30749 8.598745 4.837986       11.59029 
1 1 1 24 16 5  o 91.50321 2.826673 84.09322       5.173823      83.80984       7.169532      84.44745       7.459997      91.33768 3.924739 91.66874 4.068997 -0.3310547     5.653346 
1 1 1 24 16 6  o 81.60986 3.054680 66.96995       4.985375      65.98520       6.961247      67.96178       7.141194      81.01012 4.296529 82.20960 4.343285 -1.199486      6.109360 
1 1 1 24 16 7  o 37.95338 5.538426 15.18921       4.141609      10.60552       5.812139      19.77289       5.901403      31.72846 8.836662 44.17829 6.679077 -12.44982      11.07685 
1 1 1 24 16 8  o 137.6667 2.513483 190.2193       6.922991      187.0313       9.663282      193.4782       9.911241      136.5025 3.539598 138.8308 3.569541 -2.328232      5.026965 
1 1 1 24 16 9  o 158.4747 2.505438 252.2088       7.941744      257.6639       11.26438      246.7538       11.19354      160.1938 3.515861 156.7557 3.570378 3.438141       5.010876 
1 1 1 24 16 10 o 109.0258 3.245295 119.7992       7.112856      115.9736       8.196787      123.6248       11.61861      107.4108 3.815624 110.6408 5.250597 -3.230003      6.490590 
1 1 1 24 16 11 o 50.05752 4.566754 25.43342       4.578016      24.26447       6.176282      26.60237       6.758630      48.92250 6.312314 51.19254 6.601186 -2.270042      9.133509 
1 1 1 24 16 12 o 139.8102 2.926536 196.6662       8.175533      190.2902       11.63986      203.0423       11.49109      137.5247 4.231917 142.0957 4.043431 -4.571030      5.853072 
1 1 1 24 16 13 o 73.23410 3.710099 54.98294       5.287884      68.21683       7.346645      41.75615       7.608772      82.27983 4.464426 64.18838 5.926908 18.09145       7.420198 
1 1 1 24 16 14 o 46.13350 7.477104 21.86282       7.382068      29.47159       6.594269      14.26113       13.20554      53.89232 6.118004 38.37467 13.64545 15.51765       14.95421 
1 1 1 24 16 15 o 48.10943 5.086638 23.63395       4.903903      22.98217       6.347728      24.27864       7.474166      47.51678 6.679459 48.70207 7.673357 -1.185284      10.17328 
1 1 1 24 16 16 o 78.56238 3.897731 62.60588       6.118898      63.44186       8.210957      61.77699       9.075267      79.14838 5.187065 77.97636 5.819242 1.172020       7.795462 
1 1 1 24 16 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 16 18 o 144.7108 3.132200 211.6854       9.075267      215.9361       13.41808      207.4347       12.21371      146.1064 4.591885 143.3151 4.261139 2.791336       6.264400 
1 1 1 24 16 19 o 33.87862 7.009268 12.48292       5.354478      18.94400       8.409323      6.014048       6.627566      41.54541 10.18536 26.21184 9.632124 15.33357       14.01854 
1 1 1 24 16 20 o 33.19823 6.400277 11.93033       5.042760      21.91950       8.026759      1.943992       6.111105      44.89246 9.256237 21.50401 8.841733 23.38845       12.80055 
1 1 1 24 16 21 o 66.88570 3.973731 45.74473       5.340310      47.62213       8.529759      43.86733       6.425658      68.08424 6.264122 65.68716 4.891106 2.397072       7.947461 
1 1 1 24 16 22 o 84.24049 3.533223 72.40377       5.977208      76.58364       9.181536      68.23100       7.651280      86.57069 5.302912 81.91029 4.670525 4.660400       7.066447 
1 1 1 24 16 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 16 24 o 74.15770 3.743795 56.53445       5.574807      60.21840       8.565183      52.84342       7.141194      76.46400 5.600794 71.85141 4.969419 4.612587       7.487591 
1 1 1 24 16 25 o 31.87038 6.612235 11.26438       4.667280      8.246379       7.012255      14.28239       6.160697      28.13867 9.949737 35.60208 8.711448 -7.463408      13.22447 
1 1 1 24 16 26 o 29.72144 6.674733 9.804973       4.587225      7.360813       6.796178      12.24205       6.163530      26.81387 9.763552 32.62901 9.103915 -5.815138      13.34947 
1 1 1 24 16 27 o 41.26452 6.179080 19.32656       5.030007      16.33690       7.481250      22.31623       6.724624      37.10701 9.895899 45.42203 7.402383 -8.315022      12.35816 
1 1 1 24 16 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 16 29 o 35.13617 6.233854 15.71346       4.998127      4.561012       6.068598      26.87158       7.941744      22.58142 8.984425 47.69092 8.644296 -25.10950      12.46771 
1 1 1 24 16 30 o 30.60971 6.724450 12.07910       4.612730      9.096521       5.904946      15.05460       7.084518      27.17216 9.161148 34.04725 9.846130 -6.875088      13.44890 
1 1 1 24 16 31 o 31.49757 6.519643 13.00009       4.522757      15.43008       5.955954      10.57010       6.808930      34.89838 8.581697 28.09676 9.817203 6.801628       13.03929 
1 1 1 24 16 32 o 27.85922 6.732942 9.394071       5.508921      18.63228       7.438744      0.1594016      8.133026      36.02054 9.985561 19.69789 9.034301 16.32265       13.46588 
1 1 1 24 16 33 o 22.03379 6.756000 5.925491       5.514588      4.412946       7.004463      7.438744       8.522675      20.78145 9.037228 23.28612 10.04503 -2.504669      13.51200 
1 1 1 24 17 0  o 22.88159 10.84786 7.821308       5.596769      7.821308       5.596769      7.821308       5.596769      22.88159 10.84786 22.88159 10.84786 0.000000       0.000000 
1 1 1 24 17 1  o 86.27321 2.933394 74.88335       5.056929      79.41744       7.219123      70.33509       7.084518      88.90096 4.060205 83.64546 4.234849 5.255501       5.866789 
1 1 1 24 17 2  o 129.7980 2.495699 169.5325       6.473125      152.2463       8.883986      186.8187       9.415324      123.1529 3.606893 136.4432 3.450273 -13.29028      4.991398 
1 1 1 24 17 3  o 89.82268 2.943151 81.11773       5.277966      76.65448       7.545012      85.65182       7.382068      87.31351 4.320644 92.33184 3.997574 -5.018326      5.886302 
1 1 1 24 17 4  o 70.33662 3.332408 49.88918       4.683574      54.09738       6.759338      45.67389       6.484459      73.32106 4.609411 67.35220 4.813844 5.968864       6.664816 
1 1 1 24 17 5  f 33.83028 6.082539 12.14995       4.136650      13.34015       5.854646      10.95975       5.845435      35.45415 8.379032 32.20640 8.819351 3.247746       12.16508 
1 1 1 24 17 6  o 83.83778 3.107433 70.91602       5.207829      78.77983       7.637110      63.10180       7.083100      88.49332 4.315077 79.18223 4.472658 9.311096       6.214867 
1 1 1 24 17 7  o 23.73630 6.219637 4.004878       4.114688      7.297054       5.819932      0.7091602      5.817098      27.28535 9.094949 20.18726 8.486310 7.098087       12.43927 
1 1 1 24 17 8  o 65.76227 3.575997 43.70439       4.698452      40.44551       6.554596      46.96327       6.732417      63.29257 5.178014 68.23197 4.933477 -4.939400      7.151994 
1 1 1 24 17 9  o 152.7437 2.653387 234.6392       8.083434      248.4540       11.05185      220.8244       11.78864      157.2897 3.513214 148.1977 3.977334 9.091965       5.306775 
1 1 1 24 17 10 o 77.52007 3.608362 60.76391       5.622982      66.58738       8.621859      54.94752       7.219123      81.21297 5.308178 73.82716 4.889206 7.385811       7.216723 
1 1 1 24 17 11 o 36.60961 5.984711 13.69437       4.709079      6.341352       7.573349      21.04810       5.595352      27.65927 10.27422 45.55996 6.140647 -17.90069      11.96942 
1 1 1 24 17 12 o 51.40730 4.879020 26.92825       5.031425      27.72172       7.991336      26.14187       6.116064      52.04841 7.676830 50.76619 6.023757 1.282219       9.758040 
1 1 1 24 17 13 o 41.75497 6.159495 18.44100       5.051970      12.74505       8.005506      24.13695       6.162114      34.76004 10.57419 48.74990 6.320129 -13.98986      12.31899 
1 1 1 24 17 14 o 53.64910 5.440958 29.99585       5.563472      25.98601       8.536844      34.00569       7.141194      49.44503 8.962401 57.85316 6.171827 -8.408131      10.88192 
1 1 1 24 17 15 o 89.26360 8.706142 88.20225       14.42408      113.8482       19.96417      62.59172       20.82848      104.2797 9.572417 74.24751 14.54498 30.03217       17.41228 
1 1 1 24 17 16 o 61.34251 8.846623 0.000000       0.000000      ?              ?             39.32616       10.85348      ?        ?        61.34251 8.846623 ?              ?        
1 1 1 24 17 17 o 108.9414 3.225420 120.0117       7.042719      122.9872       11.03059      117.1071       8.763549      110.1507 5.007047 107.7322 4.067286 2.418549       6.450839 
1 1 1 24 17 18 o 86.56918 3.530068 76.08772       6.065764      71.62447       9.386987      80.48012       7.686701      83.89350 5.594585 89.24486 4.306524 -5.351357      7.060136 
1 1 1 24 17 19 o 90.38750 3.418811 83.03055       6.218081      89.26492       9.734127      76.79617       7.743378      93.68407 5.195189 87.09093 4.445570 6.593132       6.837623 
1 1 1 24 17 20 f 75.40290 4.023574 58.91484       5.812139      44.82375       8.848563      73.04137       7.537927      65.92313 6.711274 84.88268 4.440203 -18.95955      8.047149 
1 1 1 24 17 21 o 53.95616 4.853332 30.37841       5.278674      35.24548       8.239295      25.50426       6.603478      58.25217 7.072093 49.66015 6.648670 8.592018       9.706663 
1 1 1 24 17 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 17 23 o 41.95282 5.835928 19.05735       4.814638      19.41866       7.757547      18.70313       5.706579      41.57048 9.529315 42.33517 6.739762 -0.7646904     11.67186 
1 1 1 24 17 24 o 69.49020 4.064917 50.10879       5.646361      50.66847       9.358648      49.54911       6.321515      69.40400 6.742154 69.57641 4.542859 -0.1724091     8.129834 
1 1 1 24 17 25 o 36.71154 6.248257 15.34507       4.576599      16.36524       7.275800      14.33198       5.554262      37.59706 9.632724 35.82602 7.960746 1.771046       12.49651 
1 1 1 24 17 26 o 25.56496 6.580237 6.702662       4.409404      6.469582       6.837267      6.935743       5.570556      25.67215 9.712003 25.45777 8.881163 0.2143726      13.16047 
1 1 1 24 17 27 o 82.83313 4.880248 76.44194       8.033843      78.85069       13.99901      74.03321       7.885069      81.84091 8.552573 83.82536 4.703272 -1.984444      9.760495 
1 1 1 24 17 28 o 31.89395 6.655396 12.68129       5.457204      5.481292       8.706873      19.88624       6.580809      23.94646 10.23637 39.84143 8.508460 -15.89497      13.31079 
1 1 1 24 17 29 o 45.64139 7.355735 27.62962       6.586476      24.93042       9.032760      30.32174       9.585353      43.15551 10.54137 48.12727 10.26191 -4.971760      14.71147 
1 1 1 24 17 30 o 22.66980 6.388103 5.075349       4.439159      3.823514       6.741627      6.327891       5.776716      21.76970 9.142947 23.56989 8.924009 -1.800192      12.77621 
1 1 1 24 17 31 o 38.21632 6.087412 18.86607       4.556053      20.33965       6.908113      17.39249       5.941077      39.37946 8.968909 37.05318 8.233165 2.326271       12.17482 
1 1 1 24 17 32 f 14.65182 4.952816 -6.390234      4.318722      -11.59735      6.523424      -1.183823      5.660530      13.05726 6.486260 16.24637 7.486651 -3.189107      9.905631 
1 1 1 24 18 0  o 19.85700 10.73884 5.785926       5.876608      5.785926       5.876608      5.785926       5.876608      19.85700 10.73884 19.85700 10.73884 0.000000       0.000000 
1 1 1 24 18 1  o 20.68256 5.937101 1.375105       3.957411      4.101936       5.656280      -1.351726      5.536551      23.32726 8.830977 18.03787 7.937916 5.289387       11.87420 
1 1 1 24 18 2  o 76.95254 3.276563 59.77208       5.047010      64.95794       7.410406      54.57913       6.850020      80.30196 4.614088 73.60312 4.653350 6.698837       6.553127 
1 1 1 24 18 3  o 162.3282 2.498878 264.7484       8.111773      271.6913       11.63986      257.7348       11.30689      164.4673 3.538657 160.1892 3.529230 4.278076       4.997756 
1 1 1 24 18 4  o 141.0697 2.533777 199.9251       7.148279      199.5000       10.01042      200.3502       10.20879      140.9254 3.551674 141.2140 3.614653 -0.2885437     5.067554 
1 1 1 24 18 5  o 159.2086 2.510325 254.6176       7.991336      256.6012       11.24313      252.6339       11.36357      159.8354 3.517096 158.5818 3.582871 1.253586       5.020650 
1 1 1 24 18 6  o 232.8239 2.733953 545.5079       12.85132      581.9223       20.97726      509.0934       14.84915      240.4401 4.362263 225.2078 3.296766 15.23232       5.467907 
1 1 1 24 18 7  o 31.67439 6.492450 10.37882       4.454036      9.351563       7.083809      11.41316       5.401237      30.57334 10.03403 32.77543 8.241719 -2.202095      12.98490 
1 1 1 24 18 8  o 71.53747 3.651169 51.83033       5.127774      45.65972       7.984251      57.99386       6.439827      67.15916 5.944276 75.91577 4.241429 -8.756607      7.302338 
1 1 1 24 18 9  o 69.98221 3.793246 49.54911       5.258838      46.54528       8.310139      52.55295       6.449036      67.74314 6.133565 72.22127 4.464777 -4.478127      7.586492 
1 1 1 24 18 10 o 41.34904 5.892076 18.74563       4.981833      27.06994       8.267632      10.42133       5.557804      51.37528 8.046314 31.32279 8.609476 20.05248       11.78415 
1 1 1 24 18 11 o 82.59679 4.144588 69.25824       6.959831      74.74166       12.05785      63.78191       6.961247      85.62718 7.040901 79.56640 4.374489 6.060783       8.289176 
1 1 1 24 18 12 f 90.05723 3.521793 81.96787       6.359772      83.73900       10.27963      80.12590       7.495420      90.92069 5.653078 89.19376 4.201762 1.726929       7.043586 
1 1 1 24 18 13 o 35.22260 7.457624 13.09927       5.761838      11.55485       8.862731      14.65078       7.367898      33.64326 11.22342 36.80194 9.823416 -3.158680      14.91525 
1 1 1 24 18 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 18 15 o 103.3195 3.512219 108.6765       7.134109      93.86986       10.76138      123.5540       9.372816      96.04169 5.602454 110.5973 4.237362 -14.55561      7.024438 
1 1 1 24 18 16 o 39.70365 6.030320 16.88949       4.983250      6.858521       7.715039      26.92117       6.309471      28.04574 10.37941 51.36156 6.142211 -23.31583      12.06064 
1 1 1 24 18 17 o 65.22818 4.184681 43.53436       5.521673      48.02595       8.912323      39.04278       6.523424      68.46671 6.508509 61.98965 5.261704 6.477062       8.369362 
1 1 1 24 18 18 o 95.63168 3.360158 92.80718       6.398736      89.61916       9.932493      95.99522       8.069265      93.82347 5.293182 97.43990 4.140637 -3.616425      6.720316 
1 1 1 24 18 19 o 84.60301 3.544110 73.04137       6.057971      80.40928       9.663282      65.67348       7.304138      88.74897 5.444166 80.45705 4.539154 8.291924       7.088220 
1 1 1 24 18 20 o 55.47330 5.902638 33.10595       6.011921      26.58820       9.882903      39.62371       6.852146      48.73186 10.44218 62.21474 5.506851 -13.48288      11.80528 
1 1 1 24 18 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 18 22 o 19.99163 6.308540 -3.287216      5.342435      -8.558097      7.431659      1.980831       7.672533      16.78448 8.009279 23.19877 9.748957 -6.414289      12.61708 
1 1 1 24 18 23 f 29.18403 6.897966 9.344479       4.838017      12.85132       7.608772      5.834100       5.974374      33.53167 10.33086 24.83640 9.143358 8.695271       13.79593 
1 1 1 24 18 24 o 42.78101 6.208107 20.69388       5.224832      12.31289       8.324308      29.06778       6.317973      32.80206 10.87716 52.75996 5.987469 -19.95790      12.41621 
1 1 1 24 18 25 o 36.44854 6.363372 15.89057       4.750169      21.54402       7.573349      10.23713       5.734918      43.10713 9.070280 29.78995 8.927486 13.31718       12.72674 
1 1 1 24 18 26 o 54.44530 5.147350 32.37625       5.489084      29.36533       8.671450      35.38008       6.736668      51.08923 8.486573 57.80137 5.827430 -6.712139      10.29470 
1 1 1 24 18 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 18 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 18 29 o 59.66687 4.445237 39.35450       5.304887      39.72997       7.877984      38.97902       7.105771      59.65820 6.602600 59.67554 5.953672 -0.1733780E-01 8.890474 
1 1 1 24 18 30 o 24.36730 6.334556 7.226208       4.366188      13.11344       6.976125      1.341808       5.251045      30.69617 9.956450 18.03844 7.834252 12.65773       12.66911 
1 1 1 24 18 31 o 25.78887 6.760474 9.833311       4.750877      13.68020       8.033843      5.987834       5.069681      29.51769 10.62841 22.06005 8.357804 7.457638       13.52095 
1 1 1 24 18 32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 19 0  o 156.8199 3.548107 246.8246       11.11561      246.8246       11.11561      246.8246       11.11561      156.8199 3.548107 156.8199 3.548107 0.000000       0.000000 
1 1 1 24 19 1  o 40.90963 5.390830 17.68296       4.272672      12.76630       5.918406      22.59253       6.163530      34.62643 8.579118 47.19283 6.530156 -12.56640      10.78166 
1 1 1 24 19 2  o 55.43174 4.080337 31.15771       4.521339      27.82090       6.162822      34.50160       6.616940      52.44080 5.875980 58.42268 5.662988 -5.981880      8.160673 
1 1 1 24 19 3  o 145.1234 2.720420 211.6854       7.913406      215.4402       12.76630      207.9306       9.358648      146.3068 4.362854 143.9400 3.250886 2.366821       5.440841 
1 1 1 24 19 4  o 60.78409 4.978109 39.51036       5.215622      24.07319       8.232210      54.94752       6.408655      47.68213 8.962031 73.88605 4.336851 -26.20391      9.956219 
1 1 1 24 19 5  o 40.08184 6.106763 17.20121       4.810388      19.69496       7.665448      14.70746       5.817098      42.94258 9.191815 37.22109 8.042434 5.721489       12.21353 
1 1 1 24 19 6  o 114.8929 3.020065 133.1181       6.841519      121.7120       10.88182      144.5950       8.288886      109.8106 4.954813 119.9751 3.454418 -10.16454      6.040130 
1 1 1 24 19 7  o 117.7380 2.931121 139.5650       6.908822      140.6985       11.08019      138.4315       8.253463      118.1049 4.690824 117.3711 3.515970 0.7338562      5.862241 
1 1 1 24 19 8  o 74.72403 3.887805 56.55571       5.742002      52.68048       9.174451      60.43802       6.905280      72.00851 6.370393 77.43954 4.458497 -5.431038      7.775609 
1 1 1 24 19 9  o 35.37985 5.848432 13.63061       4.944993      25.92225       8.104689      1.336140       5.662655      50.27803 8.059871 20.48167 8.476738 29.79636       11.69686 
1 1 1 24 19 10 o 24.42476 6.661076 2.466829       5.095893      -2.246501      8.210957      7.176617       6.038135      21.62304 9.573923 27.22648 9.263893 -5.603436      13.32215 
1 1 1 24 19 11 o 82.96281 4.054457 70.34218       6.507129      58.43310       10.28672      82.25125       7.977167      75.63882 6.799895 90.28682 4.417681 -14.64800      8.108914 
1 1 1 24 19 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 19 13 o 38.14539 7.541406 15.41591       6.539010      6.857813       9.450747      23.98109       9.039845      29.43564 11.33767 46.85513 9.947279 -17.41949      15.08281 
1 1 1 24 19 14 o 28.49807 6.846469 6.930075       5.454370      16.69112       8.976085      -2.828140      6.197536      38.98559 11.02193 18.01055 8.124877 20.97504       13.69294 
1 1 1 24 19 15 o 34.66703 6.996590 12.80172       5.239001      11.44858       8.409323      14.14778       6.254921      33.17358 10.93257 36.16049 8.734303 -2.986916      13.99318 
1 1 1 24 19 16 f 55.81566 4.819882 32.04327       5.329682      30.27923       8.423491      33.80732       6.534760      54.04436 7.793127 57.58696 5.673819 -3.542603      9.639764 
1 1 1 24 19 17 o 36.38475 6.442453 14.22571       4.881233      10.66928       7.835476      17.78922       5.820640      31.90370 10.55296 40.86580 7.392962 -8.962103      12.88491 
1 1 1 24 19 18 o 16.22885 5.396619 -7.027842      4.642484      -10.34340      7.424574      -3.708745      5.574099      16.18708 7.791108 16.27062 7.469446 -0.8354378E-01 10.79324 
1 1 1 24 19 19 o 60.74682 4.264681 38.20681       5.248919      43.90984       8.395153      32.50377       6.298845      65.18590 6.439394 56.30774 5.593231 8.878155       8.529363 
1 1 1 24 19 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 19 21 f 45.95394 5.803730 22.80506       5.185159      22.01160       7.977167      23.59144       6.621190      44.42739 9.279917 47.48048 6.972539 -3.053089      11.60746 
1 1 1 24 19 22 o 54.28130 5.418265 31.91575       5.585434      26.54569       8.345562      37.28582       7.424574      48.79649 8.879719 59.76610 6.211360 -10.96961      10.83653 
1 1 1 24 19 23 o 19.72506 6.114547 -0.5005921     4.675073      2.208953       7.289969      -3.209995      5.853937      22.64085 9.508101 16.80926 7.690692 5.831598       12.22909 
1 1 1 24 19 24 o 20.19973 6.147807 -0.6609147     4.787009      5.223415       7.119940      -6.544678      6.398736      24.66027 9.756729 15.73918 7.482538 8.921085       12.29561 
1 1 1 24 19 25 o 22.17763 6.648494 1.388565       5.277966      -2.338599      7.580434      5.116439       7.346645      19.62423 8.909220 24.73102 9.870952 -5.106796      13.29699 
1 1 1 24 19 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 19 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 19 28 o 42.44213 6.288908 22.57836       5.304179      28.62145       8.820225      16.53526       5.895027      47.78484 9.566885 37.09942 8.165548 10.68542       12.57782 
1 1 1 24 19 29 o 15.56783 5.286956 -4.903194      4.582266      -1.749876      7.630026      -8.055097      5.080307      18.74535 8.658685 12.39031 6.069167 6.355038       10.57391 
1 1 1 24 19 30 o 21.33734 6.255344 4.146568       4.693493      2.412987       7.764632      5.880150       5.271589      20.61084 9.203092 22.06384 8.474694 -1.453005      12.51069 
1 1 1 24 19 31 o 21.80366 6.187338 4.874148       4.689242      1.183114       7.658363      8.565183       5.413989      19.11172 8.765981 24.49560 8.734427 -5.383871      12.37468 
1 1 1 24 20 0  o 194.6079 3.701641 380.1552       14.39574      380.1552       14.39574      380.1552       14.39574      194.6079 3.701641 194.6079 3.701641 0.000000       0.000000 
1 1 1 24 20 1  o 76.64454 3.882492 60.37426       5.627233      45.15672       8.869816      75.59180       6.928658      66.61845 6.657177 86.67062 3.997121 -20.05217      7.764984 
1 1 1 24 20 2  o 87.55136 3.496952 77.43378       6.067889      73.60814       9.812057      81.25941       7.141194      85.23875 5.755631 89.86397 3.973336 -4.625214      6.993904 
1 1 1 24 20 3  o 55.82800 4.707542 32.19913       5.371481      39.98502       8.820225      24.41325       6.128108      62.62309 7.042311 49.03292 6.248972 13.59016       9.415084 
1 1 1 24 20 4  o 82.31856 3.662442 68.49313       6.063639      71.12856       9.953747      65.88602       6.928658      83.75819 5.941955 80.87891 4.283353 2.879280       7.324885 
1 1 1 24 20 5  o 107.9782 3.147771 117.5322       6.797595      117.8155       10.89599      117.1779       8.133026      108.0068 5.044124 107.9496 3.767049 0.5718231E-01  6.295541 
1 1 1 24 20 6  f 55.76560 5.029249 31.71739       5.578349      30.99477       9.167366      32.44001       6.356938      54.92523 8.345315 56.60598 5.615077 -1.680748      10.05850 
1 1 1 24 20 7  o 61.39746 4.873718 38.86567       5.695244      30.24380       9.046929      47.49461       6.916615      54.23243 8.340885 68.56249 5.044022 -14.33007      9.747437 
1 1 1 24 20 8  o 62.37338 4.826200 39.69455       6.026091      40.13379       9.557014      39.26240       7.339560      62.55855 7.638456 62.18822 5.901086 0.3703270      9.652400 
1 1 1 24 20 9  o 87.09108 4.200499 77.85885       7.020049      62.40044       11.10144      93.37395       8.593520      78.02489 7.114037 96.15726 4.468472 -18.13236      8.400997 
1 1 1 24 20 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 20 11 o 31.54878 7.627214 10.18754       6.104020      16.67695       10.09544      3.705203       6.866314      38.96674 11.87860 24.13082 9.570596 14.83592       15.25443 
1 1 1 24 20 12 o 26.75602 7.133021 5.074640       5.474207      2.098434       8.678535      8.048012       6.670782      24.98368 10.42634 28.52835 9.737116 -3.544672      14.26604 
1 1 1 24 20 13 o 112.1884 3.180727 127.2379       7.155363      129.9301       11.35648      124.6167       8.699788      113.2099 5.015674 111.1669 3.912940 2.043037       6.361453 
1 1 1 24 20 14 f 31.07542 6.863535 9.443663       5.107938      5.671865       8.147196      13.21971       6.162822      27.24077 10.51960 34.91007 8.818757 -7.669298      13.72707 
1 1 1 24 20 15 o 155.9960 2.939844 246.2578       9.103605      230.6719       13.95650      261.8438       11.69654      150.8521 4.625887 161.1399 3.629311 -10.28778      5.879688 
1 1 1 24 20 16 o 51.28857 5.066973 27.48084       5.287884      32.53919       8.600604      22.42958       6.158571      55.91325 7.691026 46.66388 6.598863 9.249363       10.13395 
1 1 1 24 20 17 o 46.09511 5.904345 23.20180       5.061888      15.33798       8.012589      31.06561       6.184076      37.09570 10.38980 55.09453 5.612241 -17.99883      11.80869 
1 1 1 24 20 18 o 16.26153 5.408728 -7.651280      4.760087      -12.05077      7.601687      -3.261003      5.729249      15.76222 7.652761 16.76085 7.645428 -0.9986324     10.81746 
1 1 1 24 20 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 20 20 o 44.20519 6.068027 21.34565       5.158237      17.49876       8.324308      25.19254       6.097645      39.11563 10.44179 49.29476 6.184881 -10.17913      12.13605 
1 1 1 24 20 21 o 29.73940 7.064757 9.670367       4.996002      10.15920       7.757547      9.181536       6.294595      30.52463 10.49660 28.95417 9.458574 1.570467       14.12951 
1 1 1 24 20 22 o 30.09239 6.770359 10.08835       4.997419      17.00993       7.920490      3.165363       6.099061      38.11881 10.18977 22.06596 8.917377 16.05285       13.54072 
1 1 1 24 20 23 o 25.16157 6.862845 5.801512       4.937909      4.935784       7.495420      6.666531       6.434159      24.71098 9.927146 25.61216 9.478732 -0.9011822     13.72569 
1 1 1 24 20 24 o 18.75704 6.176619 -4.741668      5.650611      -5.212080      8.969000      -4.271964      6.876941      19.91743 9.271674 17.59665 8.163243 2.320784       12.35324 
1 1 1 24 20 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 20 26 o 32.02843 14.14160 12.22788       17.74672      12.22788       17.74672      ?              ?             32.02843 14.14160 ?        ?        ?              ?        
1 1 1 24 20 27 o 27.28310 7.130414 9.429493       5.261672      13.34723       8.650196      5.510338       5.996336      31.43045 11.05720 23.13575 9.006083 8.294701       14.26083 
1 1 1 24 20 28 o 31.07410 6.875520 13.02134       4.844393      12.00826       7.417490      14.04151       6.234376      29.44334 10.25047 32.70486 9.166190 -3.261524      13.75104 
1 1 1 24 20 29 o 68.29105 4.011180 52.53878       5.507504      59.12030       8.430575      45.96435       7.084518      72.38364 5.823537 64.19845 5.517671 8.185188       8.022361 
1 1 1 24 20 30 o 20.16176 6.040635 3.638608       4.378232      1.638649       6.757213      5.638568       5.569848      18.90335 8.508078 21.42017 8.577277 -2.516823      12.08127 
1 1 1 24 21 0  o 99.75945 4.641107 100.6002       9.216957      100.6002       9.216957      100.6002       9.216957      99.75945 4.641107 99.75945 4.641107 0.000000       0.000000 
1 1 1 24 21 1  o 62.49042 4.570194 39.72289       5.710121      39.86458       7.955913      39.58120       8.196787      62.61982 6.352552 62.36101 6.572045 0.2588120      9.140388 
1 1 1 24 21 2  o 129.3635 2.996279 168.6115       7.750463      166.3445       10.88182      170.8786       11.04476      128.4945 4.234353 130.2325 4.240401 -1.738052      5.992557 
1 1 1 24 21 3  o 87.13904 3.814116 77.00871       6.519173      69.62664       10.56302      84.44745       7.644195      82.72377 6.384511 91.55431 4.174677 -8.830544      7.628231 
1 1 1 24 21 4  o 81.22597 4.044850 66.98412       6.616940      70.27841       10.85348      63.69690       7.573349      83.04390 6.534786 79.40804 4.768629 3.635857       8.089700 
1 1 1 24 21 5  o 29.17555 6.774876 4.881941       5.774590      -4.838726      9.273635      14.60119       6.881192      21.59569 9.817501 36.75541 9.338762 -15.15972      13.54975 
1 1 1 24 21 6  o 121.2681 8.999649 0.000000       0.000000      ?              ?             153.2381       21.82740      ?        ?        121.2681 8.999649 ?              ?        
1 1 1 24 21 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 21 8  o 41.62601 14.41114 0.000000       0.000000      ?              ?             18.60394       14.64370      ?        ?        41.62601 14.41114 ?              ?        
1 1 1 24 21 9  o 70.65988 4.784209 51.45485       6.524132      43.59812       10.59844      59.31866       7.608772      64.82853 8.174209 76.49124 4.973623 -11.66271      9.568418 
1 1 1 24 21 10 o 89.00109 4.468699 80.97604       8.040927      85.51013       14.05568      76.51279       7.828392      91.00806 7.722219 86.99412 4.499380 4.013947       8.937398 
1 1 1 24 21 11 o 69.86800 4.430964 50.00253       6.048761      44.36325       9.741212      55.64180       7.176617      65.61884 7.422574 74.11716 4.841401 -8.498322      8.861927 
1 1 1 24 21 12 o 95.28540 3.968100 92.52380       7.559181      87.49380       10.51342      97.55381       10.86765      92.67486 5.672210 97.89594 5.550613 -5.221085      7.936200 
1 1 1 24 21 13 o 22.65358 6.677343 1.785298       5.116439      5.139817       8.310139      -1.569929      5.968707      26.86816 10.56898 18.43899 8.163595 8.429176       13.35469 
1 1 1 24 21 14 o 122.5603 3.589973 153.0964       8.954830      165.7069       15.60011      140.5568       8.798972      127.1178 6.136084 118.0029 3.728286 9.114861       7.179947 
1 1 1 24 21 15 o 75.45686 3.914729 58.19223       5.890777      57.35626       9.365732      59.03529       7.148279      74.68166 6.270438 76.23206 4.688498 -1.550407      7.829458 
1 1 1 24 21 16 o 109.2318 3.207132 121.4995       6.897486      109.1724       10.76138      133.8974       8.628942      103.3863 5.204454 115.0774 3.749190 -11.69115      6.414263 
1 1 1 24 21 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 21 18 o 26.02402 6.883372 4.398777       5.366522      -1.300009      8.246379      10.09544       6.869856      21.63721 9.585543 30.41083 9.881327 -8.773611      13.76674 
1 1 1 24 21 19 o 23.22054 6.364102 0.7219123      5.038509      -7.644195      7.523758      9.089437       6.703371      17.28813 8.169014 29.15294 9.760861 -11.86480      12.72820 
1 1 1 24 21 20 o 56.99837 5.479360 35.44384       6.375357      45.11421       10.45675      25.77348       7.297054      64.76961 8.072265 49.22712 7.411619 15.54248       10.95872 
1 1 1 24 21 21 o 46.12556 6.617656 24.12278       5.943202      20.63012       9.741212      27.61545       6.815306      41.19348 11.42933 51.05766 6.674128 -9.864178      13.23531 
1 1 1 24 21 22 o 57.52478 5.220410 36.29399       6.181242      43.18014       10.54885      29.41492       6.448328      62.32771 8.462405 52.72185 6.115424 9.605862       10.44082 
1 1 1 24 21 23 f 31.96844 7.480751 11.51234       6.072848      7.233293       9.677451      15.78431       7.339560      27.81759 11.23646 36.11928 9.878689 -8.301689      14.96150 
1 1 1 24 21 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 21 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 21 26 o 61.96252 4.790974 43.23681       6.071432      50.34967       10.23004      36.11687       6.536885      66.12289 7.735630 57.80216 5.654533 8.320724       9.581947 
1 1 1 24 21 27 o 18.86657 5.905860 0.7800054      4.466080      0.1403443      7.067515      1.419029       5.462872      19.27855 8.687758 18.45458 8.002475 0.8239765      11.81172 
1 1 1 24 21 28 o 33.25196 6.309672 14.87749       4.806137      8.402238       7.304138      21.35982       6.251379      25.08263 9.895296 41.42128 7.831408 -16.33865      12.61934 
1 1 1 24 21 29 o 33.49732 7.053658 17.03118       5.319056      16.13144       8.529759      17.93091       6.360480      30.93900 10.97024 36.05563 8.869617 -5.116629      14.10732 
1 1 1 24 22 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 22 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 22 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 22 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 22 4  o 53.41050 6.004854 30.18713       6.246420      26.41108       8.657280      33.96318       9.011506      49.54954 9.074011 57.27146 7.867362 -7.721924      12.00971 
1 1 1 24 22 5  o 72.63745 4.524408 54.16822       6.679283      60.24674       11.05893      48.08262       7.488335      76.50377 7.227704 68.77114 5.444388 7.732628       9.048816 
1 1 1 24 22 6  o 19.96661 6.233042 -6.575140      5.670448      -15.74180      9.181536      2.587974       6.660863      17.05766 8.313894 22.87556 9.288834 -5.817907      12.46608 
1 1 1 24 22 7  o 120.3355 3.288071 146.5078       7.913406      147.1454       12.53251      145.8702       9.670367      120.4212 5.203618 120.2499 4.020947 0.1712875      6.576143 
1 1 1 24 22 8  o 50.70592 5.655488 26.97784       5.569848      27.06286       9.011506      26.88575       6.548929      50.12979 9.336345 51.28205 6.385206 -1.152260      11.31098 
1 1 1 24 22 9  o 80.84448 3.945990 66.81409       6.199661      57.14372       9.868733      76.51279       7.509589      74.67525 6.607768 87.01370 4.315176 -12.33845      7.891980 
1 1 1 24 22 10 o 21.65113 6.313281 -2.488791      5.316222      -10.51342      8.820225      5.535842       5.932575      18.30391 8.732221 24.99835 9.120218 -6.694445      12.62656 
1 1 1 24 22 11 o 66.36758 4.368526 45.35508       5.902112      51.63905       9.712874      39.07820       6.703371      70.80101 6.859276 61.93415 5.411692 8.866863       8.737052 
1 1 1 24 22 12 o 71.99565 4.503957 54.99002       6.393069      74.38744       9.897071      35.58553       8.090520      85.27757 5.802857 58.71373 6.889802 26.56383       9.007915 
1 1 1 24 22 13 o 27.51573 7.121069 6.791928       5.232625      6.113231       8.395153      7.474166       6.254212      27.65172 10.67844 27.37973 9.423874 0.2719841      14.24214 
1 1 1 24 22 14 o 25.37103 6.960368 5.124232       5.119981      7.559181       8.303054      2.689991       5.994919      28.83047 10.74813 21.91160 8.846724 6.918865       13.92074 
1 1 1 24 22 15 o 45.23579 8.805993 24.06610       8.770633      34.86291       12.59627      13.26930       12.19245      54.90114 11.81040 35.57043 13.06509 19.33071       17.61199 
1 1 1 24 22 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 22 17 o 37.99839 7.241894 15.86224       6.064347      11.35648       9.932493      20.36799       6.957705      32.89540 11.82044 43.10137 8.370023 -10.20596      14.48379 
1 1 1 24 22 18 o 118.9902 3.636058 145.7994       8.692703      150.5460       14.48075      141.0527       9.606606      120.2993 6.018637 117.6811 4.081628 2.618233       7.272117 
1 1 1 24 22 19 o 22.48063 6.640490 0.2078598      5.567723      -4.492292      9.386987      4.908154       5.987126      21.17422 9.709062 23.78703 9.061927 -2.612810      13.28098 
1 1 1 24 22 20 o 42.19080 6.705244 20.43175       5.714372      20.16962       9.549930      20.69388       6.279008      40.49485 11.34313 43.88676 7.153647 -3.391911      13.41049 
1 1 1 24 22 21 o 22.36716 6.743800 1.379356       5.568431      -0.5034258     9.287803      3.262421       6.143694      22.74824 10.11393 21.98608 8.923211 0.7621651      13.48760 
1 1 1 24 22 22 o 41.83434 7.190093 22.37999       6.084183      21.11895       9.769550      23.64104       7.254546      39.10513 11.63851 44.56356 8.445995 -5.458424      14.38019 
1 1 1 24 22 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 22 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 22 25 o 30.87716 7.188305 12.51126       5.381400      14.09819       9.216957      10.92433       5.558513      32.02043 11.39856 29.73390 8.761259 2.286526       14.37661 
1 1 1 24 22 26 o 22.08868 6.441411 3.212120       5.154695      -0.1163278     8.671450      6.540427       5.572681      20.62900 9.408797 23.54835 8.800094 -2.919348      12.88282 
1 1 1 24 22 27 f 20.17387 6.202297 2.338599       4.906737      0.8820225      8.140111      3.794467       5.482000      20.17550 9.178828 20.17224 8.344045 0.3267288E-02  12.40459 
1 1 1 24 22 28 o 20.40887 6.194761 2.877023       4.896110      -0.6509963E-01 7.920490      5.819223       5.755462      19.01075 8.796788 21.80698 8.724494 -2.796230      12.38952 
1 1 1 24 23 0  o 33.85769 12.34387 15.66387       7.672533      15.66387       7.672533      15.66387       7.672533      33.85769 12.34387 33.85769 12.34387 0.000000       0.000000 
1 1 1 24 23 1  o 87.93368 3.674292 78.56730       6.459663      73.74983       8.940661      83.31393       9.330310      85.24210 5.244276 90.62526 5.147743 -5.383163      7.348584 
1 1 1 24 23 2  o 55.68612 5.109809 31.91575       5.685325      33.66563       8.083434      30.16588       7.998421      57.24894 7.059899 54.12329 7.389075 3.125648       10.21962 
1 1 1 24 23 3  o 31.24591 6.964970 9.819141       5.152570      14.71454       7.289969      4.919489       7.282885      36.74934 9.754052 25.74249 9.944934 11.00685       13.92994 
1 1 1 24 23 4  o 57.04514 4.938263 33.63729       5.589684      28.11845       7.778800      39.16322       8.026759      52.22863 7.446874 61.86165 6.487669 -9.633018      9.876527 
1 1 1 24 23 5  o 51.24598 5.836875 29.00401       5.500420      16.30148       7.700871      41.71364       7.856731      38.58728 9.924115 63.90469 6.147225 -25.31741      11.67375 
1 1 1 24 23 6  o 27.59038 7.044777 6.701245       5.099436      9.457831       7.127024      3.943951       7.297054      30.35420 10.06458 24.82657 9.860012 5.527626       14.08955 
1 1 1 24 23 7  o 58.91611 5.442021 36.80407       5.876608      28.26014       9.301972      45.34800       7.183701      51.07938 9.460928 66.75285 5.380820 -15.67346      10.88404 
1 1 1 24 23 8  o 47.17296 6.021388 23.67646       5.482000      22.21705       8.926493      25.12878       6.368274      44.86847 10.17902 49.47745 6.435531 -4.608978      12.04278 
1 1 1 24 23 9  o 44.68518 7.191824 21.72113       6.608438      22.93258       11.56193      20.51676       6.407238      44.83961 12.45525 44.53076 7.194171 0.3088493      14.38365 
1 1 1 24 23 10 o 69.42496 4.260861 49.47119       5.963747      52.32625       9.769550      46.61613       6.837267      71.17477 6.863071 67.67515 5.051535 3.499619       8.521723 
1 1 1 24 23 11 o 23.97337 6.965194 2.568846       5.482000      6.321515       8.593520      -1.183823      6.806097      27.98243 10.80434 19.96430 8.793293 8.018127       13.93039 
1 1 1 24 23 12 o 28.73195 7.378358 7.991336       5.530883      9.620775       8.784801      6.357646       6.720373      31.07396 11.12146 26.38995 9.699158 4.684004       14.75672 
1 1 1 24 23 13 o 66.04905 8.571902 50.31424       11.30689      57.59713       20.24047      43.03844       10.07418      68.24560 15.22102 63.85250 7.888638 4.393097       17.14380 
1 1 1 24 23 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 23 15 o 93.09212 4.228882 89.68999       7.877984      91.03606       13.13470      88.27309       8.699788      93.20695 7.045985 92.97729 4.678448 0.2296677      8.457765 
1 1 1 24 23 16 o 61.67102 5.061603 40.86350       6.509964      51.66030       11.25021      30.05961       6.549637      69.54401 8.088556 53.79803 6.087246 15.74598       10.12321 
1 1 1 24 23 17 o 29.68512 7.516510 9.932493       6.101187      17.83173       10.70471      2.028297       5.860313      38.55494 12.31639 20.81530 8.619638 17.73964       15.03302 
1 1 1 24 23 18 o 45.61038 5.761831 22.89008       5.155404      24.35657       8.331393      21.41650       6.076391      46.23041 9.337657 44.99035 6.752994 1.240059       11.52366 
1 1 1 24 23 19 o 21.12570 6.480762 1.063386       5.088101      2.378273       8.196787      -0.2511462     6.026799      23.36692 9.958496 18.88449 8.296350 4.482426       12.96152 
1 1 1 24 23 20 o 32.34801 6.835379 11.19354       5.384942      5.601728       8.636027      16.79031       6.435576      26.33959 10.62489 38.35643 8.602406 -12.01684      13.67076 
1 1 1 24 23 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 23 22 o 43.48296 6.849893 24.54785       5.970123      23.84649       9.663282      25.24922       7.015798      40.52699 11.42910 46.43892 7.553792 -5.911922      13.69979 
1 1 1 24 23 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 23 24 o 21.89263 6.600317 2.942200       5.255295      2.145900       8.699788      3.738500       5.899278      22.48969 9.919323 21.29557 8.709980 1.194117       13.20063 
1 1 1 24 23 25 o 34.83944 7.134467 17.39249       5.444452      23.91733       9.153197      10.86765       5.892902      40.90020 10.96347 28.77868 9.132621 12.12152       14.26893 
1 1 1 24 23 26 o 23.79099 6.743915 6.969040       4.964830      6.349853       7.637110      7.587519       6.345603      23.39215 9.772656 24.18983 9.296059 -0.7976704     13.48783 
1 1 1 24 23 27 o 25.64983 6.601599 9.054014       4.934367      17.24372       7.644195      0.8600605      6.247128      33.20785 10.38000 18.09181 8.159654 15.11604       13.20320 
1 1 1 24 24 0  o 109.7769 4.573379 121.9245       10.00334      121.9245       10.00334      121.9245       10.00334      109.7769 4.573379 109.7769 4.573379 0.000000       0.000000 
1 1 1 24 24 1  o 22.85863 6.689983 1.586932       5.097310      -1.397067      7.155363      4.570222       7.261631      20.42319 9.003428 25.29407 9.897565 -4.870888      13.37997 
1 1 1 24 24 2  o 57.96525 4.946027 34.87000       5.700912      29.24489       7.842561      40.48802       8.274716      53.16407 7.375810 62.76643 6.591674 -9.602364      9.892055 
1 1 1 24 24 3  o 33.26204 7.154035 11.94450       5.191535      12.42624       7.051930      11.45567       7.622942      33.78868 9.840359 32.73539 10.38692 1.053299       14.30807 
1 1 1 24 24 4  o 50.82218 5.441583 26.84324       5.530883      27.66504       7.899237      26.02143       7.743378      51.61093 7.652679 50.03344 7.738203 1.577496       10.88317 
1 1 1 24 24 5  o 100.4597 3.385579 102.8672       6.788385      90.18591       9.301972      115.5485       9.889987      94.19543 4.937593 106.7240 4.633440 -12.52859      6.771159 
1 1 1 24 24 6  o 23.06737 6.684874 1.729331       5.124940      -2.474622      6.960539      5.933992       7.523758      19.36792 8.679072 26.76681 10.16975 -7.398888      13.36975 
1 1 1 24 24 7  o 20.45118 6.289992 -2.691408      5.156112      3.657736       7.332476      -9.039845      7.247461      24.46372 9.822453 16.43863 7.859734 8.025089       12.57998 
1 1 1 24 24 8  o 23.00994 7.027242 -0.4113271     6.023257      3.176698       8.671450      -3.999210      8.359732      25.51569 10.51867 20.50419 9.321276 5.011499       14.05448 
1 1 1 24 24 9  o 51.49310 7.353999 29.47868       7.509589      15.06877       12.89382      43.88859       7.715039      37.61180 13.47247 65.37440 5.900658 -27.76261      14.70800 
1 1 1 24 24 10 o 40.61628 7.864076 19.44700       6.832309      26.23397       11.67529      12.66003       7.105771      47.44796 12.22933 33.78459 9.890309 13.66337       15.72815 
1 1 1 24 24 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 24 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 24 13 o 42.81995 7.379210 21.38107       6.542552      26.87158       11.39899      15.88349       6.422115      47.79979 11.94489 37.84011 8.667796 9.959679       14.75842 
1 1 1 24 24 14 o 26.87759 7.135297 6.647403       5.319056      6.869856       8.756464      6.424950       6.039551      28.09605 10.89426 25.65913 9.217648 2.436916       14.27059 
1 1 1 24 24 15 o 16.68297 5.651258 -7.955913      5.232625      -5.475624      8.501422      -10.44258      6.101187      19.57759 9.079964 13.78835 6.730611 5.789249       11.30252 
1 1 1 24 24 16 o 66.73479 4.593787 46.85700       6.002004      42.45752       9.649114      51.25649       7.148279      62.96288 7.662542 70.50671 5.069219 -7.543831      9.187574 
1 1 1 24 24 17 o 37.79039 7.054342 16.97450       5.478457      17.59086       8.699788      16.35107       6.662989      37.99965 10.88567 37.58112 8.975365 0.4185333      14.10868 
1 1 1 24 24 18 o 55.35798 5.193155 33.13429       5.707288      32.22747       9.039845      34.03402       6.972582      53.97630 8.373901 56.73965 6.144365 -2.763344      10.38631 
1 1 1 24 24 19 o 78.60159 4.320587 65.88602       6.769256      65.51762       10.77555      66.24732       8.196787      77.67476 6.936328 79.52842 5.153370 -1.853661      8.641173 
1 1 1 24 24 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 24 21 o 14.27254 5.025769 -15.58594      5.581892      -18.21429      9.153197      -12.95758      6.393069      15.43818 7.670944 13.10690 6.495385 2.331281       10.05154 
1 1 1 24 24 22 o 21.87292 6.408021 -1.936199      5.766797      -13.37557      9.075267      9.500339       7.119940      16.29908 8.023814 27.44675 9.993466 -11.14767      12.81604 
1 1 1 24 24 23 o 19.65820 6.356045 -1.196575      5.640693      -1.390691      8.869816      -1.002459      6.967623      20.54378 9.427451 18.77261 8.527626 1.771173       12.71209 
1 1 1 24 24 24 o 31.77370 7.226663 14.19029       5.237584      14.16195       7.807138      14.21154       6.981084      31.44005 10.53386 32.10734 9.896286 -0.6672916     14.45333 
1 1 1 24 24 25 o 34.35278 7.007412 17.05243       5.234042      14.16195       7.736294      19.95000       7.050512      30.50350 10.48289 38.20206 9.301842 -7.698557      14.01482 
1 1 1 24 24 26 o 21.28169 6.183592 4.315888       4.569514      0.5076057      6.958413      8.125941       5.924074      18.44377 8.416499 24.11962 9.061444 -5.675852      12.36718 
1 1 1 24 25 0  o 62.10821 6.527529 40.41718       7.948828      40.41718       7.948828      40.41718       7.948828      62.10821 6.527529 62.10821 6.527529 0.000000       0.000000 
1 1 1 24 25 1  o 92.01284 3.531973 86.21858       6.500753      87.63548       9.287803      84.80168       9.096521      92.76527 5.006078 91.26041 4.983827 1.504852       7.063947 
1 1 1 24 25 2  o 56.47313 5.485937 34.62204       5.829141      46.29024       8.579351      22.95384       7.892153      67.03035 6.399602 45.91591 8.912189 21.11444       10.97187 
1 1 1 24 25 3  o 50.78912 5.609182 27.45251       5.520257      31.18605       7.821308      23.71897       7.792970      54.80978 7.134957 46.76845 8.657025 8.041328       11.21836 
1 1 1 24 25 4  o 20.38650 6.479472 -3.536592      5.642818      -6.985334      8.366816      -0.8763549E-01 7.573349      18.99641 8.886212 21.77659 9.432363 -2.780186      12.95894 
1 1 1 24 25 5  o 22.05097 6.869442 -1.875272      6.019006      1.787424       8.586436      -5.538676      8.437660      24.32598 10.27218 19.77596 9.123552 4.550028       13.73888 
1 1 1 24 25 6  o 27.72042 7.764208 5.773882       6.400862      5.343143       8.288886      6.204620       9.755382      26.73219 10.54278 28.70864 11.40094 -1.976444      15.52842 
1 1 1 24 25 7  o 69.36365 5.410148 50.80308       7.459997      57.01619       10.58427      44.59704       10.52051      73.82889 7.168109 64.89841 8.105369 8.930481       10.82030 
1 1 1 24 25 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 25 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 25 10 o 32.63978 7.290368 11.81698       5.356604      10.10961       7.552096      13.53143       7.601687      30.67487 10.36038 34.60469 10.25965 -3.929819      14.58074 
1 1 1 24 25 11 o 32.93953 7.457617 12.17829       5.630066      14.04151       9.167366      10.31506       6.537593      35.24231 11.41179 30.63676 9.603917 4.605551       14.91523 
1 1 1 24 25 12 o 36.91809 6.917645 16.52110       5.720748      26.97784       9.613690      6.068598       6.204620      48.51978 10.22685 25.31641 9.318094 23.20336       13.83529 
1 1 1 24 25 13 o 45.82936 6.326336 23.37182       5.580475      19.26989       9.054014      27.46668       6.524132      40.43826 10.93298 51.22047 6.368677 -10.78221      12.65267 
1 1 1 24 25 14 o 19.00102 6.131714 -4.356270      5.426741      -7.913406      8.841478      -0.8026759     6.298136      18.89024 8.903427 19.11180 8.433307 -0.2215614     12.26343 
1 1 1 24 25 15 o 31.04057 7.351344 11.17229       5.457912      12.14286       8.820225      10.20170       6.428492      32.24606 11.18241 29.83507 9.545822 2.410997       14.70269 
1 1 1 24 25 16 o 32.46836 7.279763 11.83114       5.749086      8.324308       9.309056      15.33090       6.743752      28.78630 11.21814 36.15042 9.280789 -7.364119      14.55953 
1 1 1 24 25 17 o 66.70920 5.484683 48.44393       7.098687      44.12238       11.80281      52.76549       7.892153      62.39436 9.458233 71.02404 5.555973 -8.629684      10.96937 
1 1 1 24 25 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 25 19 o 34.99871 8.565310 20.31840       7.382068      24.44159       11.82406      16.18812       8.855647      37.46404 12.95158 32.53339 11.21226 4.930653       17.13062 
1 1 1 24 25 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 25 21 o 18.16135 5.955866 -3.397027      5.266631      -4.782050      8.069265      -2.012003      6.771382      18.24365 8.571504 18.07905 8.271560 0.1645966      11.91173 
1 1 1 24 25 22 o 28.34175 7.196904 10.66928       5.420364      16.09602       8.295970      5.244668       6.977541      33.64546 10.85203 23.03803 9.455954 10.60743       14.39381 
1 1 1 24 25 23 o 36.08772 6.894468 18.04427       5.464289      11.76030       8.012589      24.32115       7.431659      28.63148 10.58137 43.54396 8.841344 -14.91249      13.78894 
1 1 1 24 25 24 o 23.17183 6.193521 3.929073       4.875566      -5.236167      7.212039      13.09219       6.559555      16.21836 7.774998 30.12530 9.643041 -13.90694      12.38704 
1 1 1 24 25 25 o 18.82787 5.816522 -0.2404485     4.715455      -7.608772      7.051221      7.127024       6.264131      14.79515 7.224524 22.86060 9.117783 -8.065446      11.63304 
1 1 1 24 26 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 26 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 26 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 26 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 26 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 26 5  o 48.68395 15.71753 30.64762       17.39958      30.64762       17.39958      ?              ?             48.68395 15.71753 ?        ?        ?              ?        
1 1 1 24 26 6  o 22.96984 6.728457 1.370146       5.321890      6.168490       7.644195      -3.428198      7.403321      26.69216 10.21881 19.24752 8.755823 7.444635       13.45691 
1 1 1 24 26 7  o 23.56257 6.923138 2.505794       5.394860      1.448075       7.438744      3.563512       7.814223      22.51740 9.537337 24.60775 10.03786 -2.090351      13.84628 
1 1 1 24 26 8  o 23.51589 7.087936 1.285131       5.956663      4.684991       9.153197      -2.114729      7.622942      26.72499 10.87645 20.30679 9.091655 6.418205       14.17587 
1 1 1 24 26 9  o 23.16963 6.830057 2.459036       5.278674      3.761171       7.764632      1.156902       7.155363      24.53838 10.00716 21.80088 9.298143 2.737501       13.66011 
1 1 1 24 26 10 o 21.25779 6.648573 -2.631190      5.897153      2.476039       7.679617      -7.736294      8.947746      23.36465 9.782986 19.15093 9.005960 4.213718       13.29715 
1 1 1 24 26 11 o 78.63837 4.094658 64.36993       6.432034      59.04237       8.961915      69.69749       9.224042      75.29531 5.951178 81.98144 5.625690 -6.686127      8.189316 
1 1 1 24 26 12 o 29.54733 6.993415 7.991336       5.630774      2.467537       9.266549      13.51726       6.395194      24.79460 10.57834 34.30006 9.150415 -9.505455      13.98683 
1 1 1 24 26 13 o 36.47825 7.254019 15.81264       5.698077      14.61536       9.195704      17.00993       6.726750      34.62881 11.43231 38.32769 8.932265 -3.698883      14.50804 
1 1 1 24 26 14 o 25.76474 7.439999 4.979708       6.323640      11.62569       10.41424      -1.664153      7.169532      32.00973 12.01660 19.51976 8.775851 12.48997       14.88000 
1 1 1 24 26 15 o 21.80841 6.976892 -1.738541      6.551762      -0.3020838     10.57718      -3.175281      7.736294      24.16917 10.76801 19.44765 8.874571 4.721521       13.95378 
1 1 1 24 26 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 26 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 26 18 o 27.19889 7.682527 8.005506       6.415030      12.41916       10.15211      3.600352       7.849646      31.18752 11.82385 23.21025 9.812314 7.977268       15.36505 
1 1 1 24 26 19 o 19.29540 6.059828 -4.177032      5.476333      -12.97175      8.791886      4.621231       6.532634      16.10011 7.916736 22.49070 9.176675 -6.390594      12.11966 
1 1 1 24 26 20 o 18.54019 6.013487 -1.905027      5.128483      -2.974081      8.182618      -0.8352647     6.181242      19.12348 8.884229 17.95689 8.106699 1.166584       12.02697 
1 1 1 24 26 21 o 22.72423 6.680953 5.127066       5.034258      6.070015       7.913406      4.184116       6.225166      23.97402 9.977424 21.47444 8.887717 2.499582       13.36191 
1 1 1 24 26 22 o 19.31589 6.196795 0.4014796E-01  5.345269      -1.861811      8.593520      1.941866       6.354813      19.22902 8.999066 19.40276 8.521613 -0.1737423     12.39359 
1 1 1 24 26 23 o 63.74144 4.678809 47.85592       5.899278      45.36217       9.039845      50.34967       7.580434      60.80919 7.432959 66.67368 5.684727 -5.864491      9.357617 
1 1 1 24 26 24 f 21.47618 6.660006 5.122107       5.602437      7.566265       7.672533      2.676531       8.168448      22.93750 9.699193 20.01485 9.129532 2.922649       13.32001 
1 1 1 24 27 0  o 132.5195 5.203061 178.8132       13.74396      178.8132       13.74396      178.8132       13.74396      132.5195 5.203061 132.5195 5.203061 0.000000       0.000000 
1 1 1 24 27 1  o 32.92803 7.719276 7.431659       7.566265      20.77181       9.358648      -5.906363      11.88074      42.27560 10.97446 23.58047 10.85864 18.69513       15.43855 
1 1 1 24 27 2  o 62.23046 5.758538 41.45152       7.155363      37.92342       9.982086      44.97960       10.25130      59.45237 8.395028 65.00854 7.884577 -5.556175      11.51708 
1 1 1 24 27 3  o 44.85909 7.666471 23.68354       6.988877      31.49068       10.05293      15.87640       9.705790      52.80326 9.885079 36.91492 11.72111 15.88834       15.33294 
1 1 1 24 27 4  f 48.68404 6.699662 26.73697       6.310180      25.01543       8.239295      28.45851       9.557014      47.31559 9.030390 50.05250 9.899190 -2.736912      13.39932 
1 1 1 24 27 5  o 27.40261 7.500264 6.057971       6.060805      8.940661       7.835476      3.173155       9.252379      29.30098 10.50173 25.50424 10.71119 3.796738       15.00053 
1 1 1 24 27 6  o 65.28335 5.194044 45.31966       6.696995      49.12404       8.586436      41.51527       10.27963      68.55082 6.262825 62.01588 8.287907 6.534943       10.38809 
1 1 1 24 27 7  f 29.26337 7.444438 8.048012       6.004838      1.081097       7.991336      15.01918       8.961915      22.69086 9.756622 35.83588 11.24664 -13.14503      14.88888 
1 1 1 24 27 8  o 61.44613 5.061645 40.09129       6.221623      39.68747       8.862731      40.50219       8.728126      61.08555 7.254360 61.80671 7.060824 -0.7211571     10.12329 
1 1 1 24 27 9  o 21.99928 6.735709 0.7073182      5.482708      -0.6599228     7.715039      2.074347       7.792970      21.02548 9.298526 22.97309 9.747642 -1.947611      13.47142 
1 1 1 24 27 10 o 102.0833 4.255212 110.0934       8.600604      121.3578       11.57610      98.89986       12.72379      107.8412 5.367200 96.32552 6.604581 11.51566       8.510425 
1 1 1 24 27 11 o 21.16853 6.831767 -3.083182      6.446203      -7.870899      8.111773      1.704535       10.01751      17.67421 8.413051 24.66286 10.76628 -6.988653      13.66353 
1 1 1 24 27 12 o 25.02176 7.238372 0.4609895E-02  6.718957      -13.45350      8.501422      13.46058       10.40716      16.27085 7.942879 33.77267 12.10317 -17.50183      14.47674 
1 1 1 24 27 13 f 27.74713 7.354043 7.537927       5.846852      2.911737       8.586436      12.16412       7.934660      23.83416 10.17611 31.66009 10.61954 -7.825932      14.70809 
1 1 1 24 27 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 27 15 o 59.68952 13.08696 0.000000       0.000000      ?              ?             65.09255       15.19629      ?        ?        59.68952 13.08696 ?              ?        
1 1 1 24 27 16 o 28.99832 7.363520 10.13795       5.988543      19.51076       9.882903      0.7608773      6.772090      37.87277 11.79537 20.12386 8.817881 17.74891       14.72704 
1 1 1 24 27 17 o 38.69363 7.342564 21.31731       6.388818      33.61604       10.30089      9.011506       7.559181      50.41764 10.55580 26.96962 10.20921 23.44802       14.68513 
1 1 1 24 27 18 o 52.81759 5.479043 32.18496       5.779550      32.76590       8.990252      31.61112       7.268716      52.51359 8.559931 53.12160 6.841582 -0.6080093     10.95809 
1 1 1 24 27 19 o 34.13960 6.072768 13.60936       5.482708      1.724372       8.508506      25.49010       6.918032      21.55367 9.628706 46.72551 7.402842 -25.17184      12.14554 
1 1 1 24 27 20 o 19.92135 6.299021 1.256793       5.173823      1.285131       7.984251      1.229164       6.585060      20.54830 9.248405 19.29441 8.554395 1.253891       12.59804 
1 1 1 24 27 21 o 42.57370 6.232519 24.61870       5.336767      14.53743       7.962997      34.69288       7.112856      30.60121 10.62386 54.54619 6.520030 -23.94498      12.46504 
1 1 1 24 27 22 o 25.33979 6.000906 1.873147       5.649195      -14.31073      9.089437      18.05844       6.709038      15.17264 7.553459 35.50693 9.326776 -20.33429      12.00181 
1 1 1 24 28 0  o 16.83035 10.87460 1.361644       8.281801      1.361644       8.281801      1.361644       8.281801      16.83035 10.87460 16.83035 10.87460 0.000000       0.000000 
1 1 1 24 28 1  o 46.24400 6.605608 24.49826       5.988543      31.89450       8.543928      17.10203       8.395153      54.42123 7.849813 38.06676 10.62623 16.35446       13.21122 
1 1 1 24 28 2  o 42.70141 6.801617 21.04102       5.895027      14.09819       8.303054      27.97676       8.373900      34.66084 10.81487 50.74198 8.251452 -16.08113      13.60323 
1 1 1 24 28 3  f 45.50420 7.036166 24.15112       6.241460      27.02035       9.273635      21.28189       8.359732      48.29203 9.941998 42.71638 9.959276 5.575642       14.07233 
1 1 1 24 28 4  o 30.63494 7.527863 10.01751       6.045928      16.77614       9.061099      3.260295       8.005506      37.22666 11.23487 24.04323 10.02260 13.18343       15.05573 
1 1 1 24 28 5  o 29.61139 7.118215 6.290343       6.401570      20.36799       9.443663      -7.792970      8.643111      40.73618 11.23401 18.48659 8.744879 22.24958       14.23643 
1 1 1 24 28 6  o 31.81557 8.372279 9.181536       8.048012      16.52110       9.585353      1.849059       12.93633      36.47081 11.65509 27.16032 12.02244 9.310490       16.74456 
1 1 1 24 28 7  o 30.31263 9.352896 5.875190       10.70471      7.481250       16.55652      4.269839       13.57394      31.88884 13.88125 28.73641 12.53864 3.152431       18.70579 
1 1 1 24 28 8  o 59.70473 7.426667 41.99702       8.671450      38.99319       9.528677      45.00794       14.48784      59.63996 7.988500 59.76951 12.52220 -0.1295509     14.85333 
1 1 1 24 28 9  o 40.55466 9.322127 21.87699       8.919409      15.44425       9.202788      28.31682       15.28131      35.67020 11.42224 45.43913 14.73569 -9.768929      18.64425 
1 1 1 24 28 10 o 27.33326 8.434705 5.099436       8.806056      -3.025089      9.209873      13.22680       15.01209      21.03919 9.634538 33.62734 13.84748 -12.58815      16.86941 
1 1 1 24 28 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 28 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 28 13 o 27.53712 7.838616 8.798972       6.749420      3.978665       8.607689      13.61644       10.40007      23.64590 10.14514 31.42835 11.95206 -7.782450      15.67723 
1 1 1 24 28 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 28 15 o 20.35855 6.499511 -0.3275172     5.747669      -1.599684      9.216957      0.9443662      6.865606      20.79048 9.569791 19.92661 8.797369 0.8638668      12.99902 
1 1 1 24 28 16 o 20.21508 6.362019 0.4197577      5.240418      -0.5372899     8.218040      1.376522       6.505713      20.49278 9.294275 19.93738 8.690085 0.5554085      12.72404 
1 1 1 24 28 17 o 36.63812 7.070228 18.14345       5.641402      14.00609       8.735210      22.28081       7.141194      31.14764 11.09579 42.12861 8.765605 -10.98097      14.14046 
1 1 1 24 28 18 o 25.01275 6.717419 7.054762       5.173823      15.20337       8.062181      -1.090307      6.485168      32.24456 10.70453 17.78093 8.118365 14.46363       13.43484 
1 1 1 24 28 19 o 26.58190 7.041697 10.21588       5.102978      12.92925       8.019674      7.509589       6.313722      29.10995 10.60542 24.05386 9.266445 5.056084       14.08339 
1 1 1 24 28 20 o 22.10487 6.627139 5.622982       5.100144      7.169532       7.955913      4.075015       6.386693      23.59038 9.921089 20.61937 8.789076 2.971014       13.25428 
1 1 1 24 28 21 o 17.98328 5.831582 0.6952037      4.784883      0.4061554      7.318307      0.9840395      6.166365      18.27867 8.457170 17.68790 8.031541 0.5907688      11.66316 
1 1 1 24 29 0  o 54.64921 9.152438 33.47435       9.259464      33.47435       9.259464      33.47435       9.259464      54.64921 9.152438 54.64921 9.152438 0.000000       0.000000 
1 1 1 24 29 1  o 35.94402 8.269209 15.84098       6.840810      14.92708       8.827310      16.74780       10.44966      35.13602 11.18031 36.75203 12.18688 -1.616013      16.53842 
1 1 1 24 29 2  o 24.92694 7.534682 2.745959       6.733126      -0.9280718     8.388069      6.419991       10.53468      21.56923 9.600006 28.28465 11.61575 -6.715425      15.06936 
1 1 1 24 29 3  o 22.60783 7.062624 -3.437408      6.784134      -14.11944      8.798972      7.247461       10.32214      16.47377 8.050126 28.74190 11.60681 -12.26813      14.12525 
1 1 1 24 29 4  o 28.78245 8.237154 6.636776       7.736294      -2.019088      9.394071      15.28839       12.29164      22.08216 9.980129 35.48274 13.10724 -13.40058      16.47431 
1 1 1 24 29 5  o 38.51584 8.238403 18.81648       7.637110      7.091603       9.925409      30.54136       11.61861      28.00365 11.35150 49.02803 11.94273 -21.02439      16.47681 
1 1 1 24 29 6  o 40.89402 8.589068 23.51352       8.196787      31.52611       10.85348      15.50801       12.28455      48.64623 11.35188 33.14182 12.89276 15.50441       17.17814 
1 1 1 24 29 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 29 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 29 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 29 10 f 17.46020 5.961323 -12.24913      6.553179      -20.17671      9.897071      -4.324390      8.593520      15.73739 7.841186 19.18300 8.981386 -3.445608      11.92265 
1 1 1 24 29 11 o 22.32612 7.423623 -6.262714      8.536844      5.002378       13.41099      -17.52710      10.57718      27.48397 12.19375 17.16828 8.470729 10.31569       14.84725 
1 1 1 24 29 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 29 13 o 29.63982 7.332330 10.83931       6.089143      0.4362646      7.481250      21.23938       9.606606      20.34257 9.059795 38.93708 11.53136 -18.59451      14.66466 
1 1 1 24 29 14 o 27.75470 7.480438 9.925409       5.803638      7.637110       7.127024      12.21371       9.160281      25.54537 9.844333 29.96404 11.26574 -4.418671      14.96088 
1 1 1 24 29 15 o 27.55491 7.134073 9.181536       5.639985      14.01318       7.212039      4.342101       8.671450      31.88621 10.10163 23.22360 10.07656 8.662607       14.26815 
1 1 1 24 29 16 o 27.31417 7.180275 9.712874       5.557804      5.865981       8.331393      13.55977       7.360813      23.76010 10.08002 30.86824 10.22832 -7.108137      14.36055 
1 1 1 24 29 17 o 22.21111 6.736546 4.373273       5.512463      1.485623       8.133026      7.261631       7.438744      20.41029 9.252028 24.01194 9.794089 -3.601656      13.47309 
1 1 1 24 29 18 o 25.42489 7.255560 9.507423       5.865273      15.82681       9.358648      3.191576       7.069641      30.40433 11.39580 20.44544 8.983787 9.958887       14.51112 
1 1 1 24 29 19 o 19.86670 6.301630 2.484540       5.290718      -0.4840851     7.637110      5.452953       7.325392      18.20606 8.506150 21.52735 9.299869 -3.321291      12.60326 
1 1 1 24 30 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 30 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 30 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 30 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 30 4  o 24.91806 7.836214 5.273006       8.062181      14.83498       12.45458      -4.289676      10.25130      29.98516 12.50046 19.85096 9.453226 10.13420       15.67243 
1 1 1 24 30 5  o 28.38146 7.535941 8.657280       6.397319      0.7098687      8.940661      16.60611       9.153197      22.01816 9.852302 34.74477 11.40587 -12.72660      15.07188 
1 1 1 24 30 6  o 35.44527 7.786600 13.86440       7.892153      -3.671905      11.10144      31.39858       11.21479      22.20625 10.32864 48.68429 11.65521 -26.47804      15.57320 
1 1 1 24 30 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 30 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 30 9  o 26.99248 7.424458 8.876901       5.761838      8.721042       8.104689      9.025676       8.189702      26.84955 10.46653 27.13540 10.53290 -0.2858543     14.84892 
1 1 1 24 30 10 o 21.76601 6.503895 0.2280506      5.489084      -8.636027      7.651280      9.089437       7.870899      16.17253 7.813334 27.35949 10.39973 -11.18696      13.00779 
1 1 1 24 30 11 o 21.94035 6.724630 2.590808       5.503253      4.177740       7.665448      1.003876       7.899237      22.91673 9.692775 20.96396 9.323772 1.952772       13.44926 
1 1 1 24 30 12 o 17.02094 5.757233 -6.272632      5.515297      -3.324056      8.239295      -9.224042      7.332476      18.72558 8.772073 15.31630 7.458796 3.409282       11.51447 
1 1 1 24 30 13 o 22.75440 6.898484 3.553594       5.875899      -0.7389152     8.636027      7.842561       7.970083      20.18340 9.278966 25.32540 10.21064 -5.142002      13.79697 
1 1 1 24 30 14 o 17.23448 5.804616 -5.372899      5.528049      -0.5178782     8.246379      -10.23004      7.367898      19.66863 9.052777 14.80033 7.267842 4.868302       11.60923 
1 1 1 24 30 15 o 21.47391 6.617788 3.795176       5.394860      6.859938       7.955913      0.7311222      7.289969      23.70685 9.943274 19.24098 8.735662 4.465872       13.23558 
1 1 1 24 30 16 o 20.78122 6.520421 3.364437       5.403362      5.467123       8.175533      1.261753       7.063973      22.43496 9.760011 19.12748 8.649033 3.307472       13.04084 
1 1 1 24 30 17 o 18.86190 6.086555 1.635107       5.094476      6.281842       8.189702      -3.011629      6.065056      22.27703 9.729617 15.44677 7.315680 6.830253       12.17311 
1 1 1 24 31 0  o 18.84688 11.66522 5.283633       8.487252      5.283633       8.487252      5.283633       8.487252      18.84688 11.66522 18.84688 11.66522 0.000000       0.000000 
1 1 1 24 31 1  o 58.98642 5.618348 40.84933       6.594978      35.87600       9.195704      45.82266       9.450747      54.90729 8.373847 63.06554 7.492798 -8.158257      11.23670 
1 1 1 24 31 2  o 21.75796 6.872731 0.9330309      6.169198      -2.674406      8.281801      4.539759       9.146112      19.36496 8.973884 24.15096 10.41187 -4.785997      13.74546 
1 1 1 24 31 3  o 50.43259 6.674118 31.63237       6.577975      31.60404       8.628942      31.65363       9.932493      51.66463 8.350919 49.20055 10.41333 2.464085       13.34824 
1 1 1 24 31 4  o 28.75846 7.966331 10.38590       6.718248      8.862731       9.705790      11.90907       9.294888      27.55968 11.20538 29.95724 11.32648 -2.397566      15.93266 
1 1 1 24 31 5  o 36.45520 7.305351 17.10911       6.700537      4.488042       9.606606      29.73372       9.344479      24.61543 10.64213 48.29498 10.01088 -23.67955      14.61070 
1 1 1 24 31 6  o 40.02925 8.722475 23.81107       7.792970      27.19747       12.65295      20.42466       9.096521      41.61398 13.40012 38.44452 11.16975 3.169460       17.44495 
1 1 1 24 31 7  o 28.94913 7.088372 8.614774       6.133067      -1.307802      9.266549      18.53310       8.040927      20.89908 9.609561 36.99919 10.42288 -16.10011      14.17674 
1 1 1 24 31 8  o 29.56672 7.853791 11.85240       6.657322      18.20012       9.656199      5.506087       9.167366      34.76217 11.71507 24.37128 10.46352 10.39089       15.70758 
1 1 1 24 31 9  o 28.37232 7.587956 10.95975       6.054429      8.969000       9.082352      12.95050       8.005506      26.55901 10.82577 30.18563 10.63536 -3.626612      15.17591 
1 1 1 24 31 10 o 26.31312 7.149020 7.630026       5.938951      1.485623       9.089437      13.77939       7.644195      21.60178 9.787112 31.02446 10.42336 -9.422682      14.29804 
1 1 1 24 31 11 o 22.51297 6.753382 5.010880       5.294969      3.866021       7.332476      6.155029       7.637110      21.57909 9.313067 23.44686 9.782609 -1.867767      13.50676 
1 1 1 24 31 12 o 25.08670 7.021981 8.565183       5.241835      8.976085       7.240376      8.161365       7.580434      25.44424 9.898039 24.72916 9.963017 0.7150784      14.04396 
1 1 1 24 31 13 o 18.51397 6.001034 -0.9535761E-01 5.035675      -2.000668      6.908822      1.810094       7.325392      17.26669 8.076242 19.76125 8.878286 -2.494558      12.00207 
1 1 1 24 31 14 o 20.99817 6.462733 4.074306       5.163197      6.609855       7.219123      1.538757       7.382068      22.68006 9.490008 19.31628 8.775388 3.363787       12.92547 
1 1 1 24 31 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 24 32 0  o 10.19610 7.387530 -10.49217      7.353730      -10.49217      7.353730      -10.49217      7.353730      10.19610 7.387530 10.19610 7.387530 0.000000       0.000000 
1 1 1 24 32 1  o 25.72564 6.976566 7.658363       5.358729      2.524922       7.552096      12.79464       7.608772      21.23227 9.307652 30.21901 10.39507 -8.986740      13.95313 
1 1 1 24 32 2  o 18.67145 6.032881 -2.404485      5.226957      3.856812       7.693786      -8.664365      7.078850      22.21531 9.563118 15.12759 7.357268 7.087717       12.06576 
1 1 1 24 32 3  o 36.64385 7.238369 18.65354       5.523799      19.87916       7.743378      17.42083       7.877984      38.16269 10.01794 35.12501 10.45068 3.037678       14.47674 
1 1 1 24 32 4  o 19.54280 6.201735 -0.2715496     5.202161      -4.712621      7.275800      4.169239       7.438744      16.89874 8.007750 22.18685 9.472171 -5.288113      12.40347 
1 1 1 24 32 5  o 28.78270 7.353579 11.64695       5.565597      8.019674       7.700871      15.26714       8.040927      25.27533 10.10027 32.29007 10.69042 -7.014736      14.70716 
1 1 1 24 32 6  o 28.23188 7.606513 11.59027       5.981458      12.01534       8.019674      11.15812       8.876901      28.71767 10.59140 27.74609 10.92055 0.9715767      15.21303 
1 1 1 24 32 7  o 23.73543 6.980833 6.391652       5.599603      2.156527       7.431659      10.62678       8.373900      20.40636 9.062432 27.06450 10.62075 -6.658136      13.96167 
1 1 1 24 32 8  o 32.75490 7.514746 16.71238       5.870940      10.64095       7.700871      22.77672       8.862731      26.95451 10.27480 38.55528 10.96878 -11.60077      15.02949 
1 1 1 24 32 9  o 33.45594 7.205667 17.05243       5.729249      9.386987       7.828392      24.72497       8.366816      25.61198 10.19985 41.29991 10.18085 -15.68793      14.41133 
1 1 1 24 32 10 o 22.27684 6.910068 4.210329       6.147236      10.29380       8.983169      -1.875980      8.395153      25.94134 10.70211 18.61234 8.744193 7.328991       13.82014 
1 1 1 24 32 11 o 27.67462 6.965549 11.46984       5.700203      22.89008       8.876901      0.5345977E-01  7.148279      37.09738 11.10489 18.25186 8.411716 18.84552       13.93110 
1 1 1 24 32 12 o 23.54880 7.015485 8.529759       5.720040      12.83715       8.706873      4.222373       7.424574      26.63244 10.69923 20.46516 9.077147 6.167276       14.03097 
1 1 1 24 33 0  o 14.99630 9.885093 1.727914       7.289969      1.727914       7.289969      1.727914       7.289969      14.99630 9.885093 14.99630 9.885093 0.000000       0.000000 
1 1 1 24 33 1  o 18.72038 6.082383 -0.3331849     5.237584      -2.120396      7.474166      1.453743       7.339560      17.82178 8.349788 19.61898 8.846613 -1.797203      12.16477 
1 1 1 24 33 2  o 24.42951 6.965523 8.062181       5.244668      7.559181       7.481250      8.565183       7.353730      23.99997 9.811063 24.85906 9.890252 -0.8590889     13.93105 
1 1 1 24 33 3  o 22.12153 6.798781 5.010880       5.601728      3.531632       7.360813      6.489419       8.451830      20.89552 9.174324 23.34754 10.03621 -2.452024      13.59756 
1 1 1 24 33 4  o 32.42579 5.974164 13.74396       5.296385      -0.9953747     7.374983      28.48685       7.601687      18.18284 8.442288 46.66875 8.455193 -28.48591      11.94833 
1 1 1 24 33 5  o 18.41181 6.203686 -2.611353      6.354104      -2.429281      10.52759      -2.793425      7.112856      19.85949 9.489956 16.96412 7.992723 2.895369       12.40737 
1 1 1 24 33 6  o 33.42724 7.206838 17.66170       5.484125      12.46875       7.566265      22.86174       7.934660      27.86546 10.28561 38.98902 10.09754 -11.12356      14.41368 
1 1 1 24 33 7  o 25.40208 7.321741 10.54176       5.895027      9.847479       7.552096      11.23604       9.054014      25.04609 10.00447 25.75806 10.69309 -0.7119694     14.64348 
1 1 1 24 33 8  o 26.09927 7.047184 11.27147       5.217747      9.110690       7.481250      13.42516       7.275800      24.00608 9.811897 28.19246 10.11820 -4.186375      14.09437 
1 1 1 25 0  1  o 99.55830 3.405885 99.53748       6.764297      99.53748       6.764297      99.53748       6.764297      99.55830 3.405885 99.55830 3.405885 0.000000       0.000000 
1 1 1 25 0  2  o 149.7169 3.116627 224.5792       9.323226      224.5792       9.323226      224.5792       9.323226      149.7169 3.116627 149.7169 3.116627 0.000000       0.000000 
1 1 1 25 0  3  o 60.01601 4.648047 36.71197       5.513172      36.71197       5.513172      36.71197       5.513172      60.01601 4.648047 60.01601 4.648047 0.000000       0.000000 
1 1 1 25 0  4  o 231.3900 3.390958 536.1563       15.68512      536.1563       15.68512      536.1563       15.68512      231.3900 3.390958 231.3900 3.390958 0.000000       0.000000 
1 1 1 25 0  5  o 223.2825 3.322081 499.2460       14.82790      499.2460       14.82790      499.2460       14.82790      223.2825 3.322081 223.2825 3.322081 0.000000       0.000000 
1 1 1 25 0  6  o 63.41217 4.328219 40.82099       5.437367      40.82099       5.437367      40.82099       5.437367      63.41217 4.328219 63.41217 4.328219 0.000000       0.000000 
1 1 1 25 0  7  o 80.74184 3.732122 65.67348       5.999169      65.67348       5.999169      65.67348       5.999169      80.74184 3.732122 80.74184 3.732122 0.000000       0.000000 
1 1 1 25 0  8  o 112.4293 3.219498 126.8129       7.226208      126.8129       7.226208      126.8129       7.226208      112.4293 3.219498 112.4293 3.219498 0.000000       0.000000 
1 1 1 25 0  9  o 102.8748 3.355386 106.2678       6.887568      106.2678       6.887568      106.2678       6.887568      102.8748 3.355386 102.8748 3.355386 0.000000       0.000000 
1 1 1 25 0  10 o 16.48691 9.272083 3.733541       4.578016      3.733541       4.578016      3.733541       4.578016      16.48691 9.272083 16.48691 9.272083 0.000000       0.000000 
1 1 1 25 0  11 o 53.36984 4.879948 29.25906       5.127066      29.25906       5.127066      29.25906       5.127066      53.36984 4.879948 53.36984 4.879948 0.000000       0.000000 
1 1 1 25 0  12 o 67.09233 4.309857 45.65972       5.734209      45.65972       5.734209      45.65972       5.734209      67.09233 4.309857 67.09233 4.309857 0.000000       0.000000 
1 1 1 25 0  13 o 87.57394 3.693005 77.22124       6.443369      77.22124       6.443369      77.22124       6.443369      87.57394 3.693005 87.57394 3.693005 0.000000       0.000000 
1 1 1 25 0  14 o 95.10547 3.561129 90.96520       6.752962      90.96520       6.752962      90.96520       6.752962      95.10547 3.561129 95.10547 3.561129 0.000000       0.000000 
1 1 1 25 0  15 o 38.14286 7.405605 16.12436       5.049136      16.12436       5.049136      16.12436       5.049136      38.14286 7.405605 38.14286 7.405605 0.000000       0.000000 
1 1 1 25 0  16 o 75.85783 4.445028 58.29850       6.695578      58.29850       6.695578      58.29850       6.695578      75.85783 4.445028 75.85783 4.445028 0.000000       0.000000 
1 1 1 25 0  17 o 150.2706 6.492075 228.4757       19.43283      228.4757       19.43283      228.4757       19.43283      150.2706 6.492075 150.2706 6.492075 0.000000       0.000000 
1 1 1 25 0  18 o 69.16078 4.570959 48.60688       6.266256      48.60688       6.266256      48.60688       6.266256      69.16078 4.570959 69.16078 4.570959 0.000000       0.000000 
1 1 1 25 0  19 o 58.11348 6.601336 35.31632       7.502505      35.31632       7.502505      35.31632       7.502505      58.11348 6.601336 58.11348 6.601336 0.000000       0.000000 
1 1 1 25 0  20 o 73.85069 4.810463 55.44344       7.043427      55.44344       7.043427      55.44344       7.043427      73.85069 4.810463 73.85069 4.810463 0.000000       0.000000 
1 1 1 25 0  21 o 186.5853 3.872792 349.6209       14.43825      349.6209       14.43825      349.6209       14.43825      186.5853 3.872792 186.5853 3.872792 0.000000       0.000000 
1 1 1 25 0  22 o 57.41742 6.163144 34.33866       6.933618      34.33866       6.933618      34.33866       6.933618      57.41742 6.163144 57.41742 6.163144 0.000000       0.000000 
1 1 1 25 0  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 0  24 o 72.12091 5.424347 53.30391       7.736294      53.30391       7.736294      53.30391       7.736294      72.12091 5.424347 72.12091 5.424347 0.000000       0.000000 
1 1 1 25 0  25 o 47.77831 6.966196 24.00943       6.412197      24.00943       6.412197      24.00943       6.412197      47.77831 6.966196 47.77831 6.966196 0.000000       0.000000 
1 1 1 25 0  26 o 39.69278 8.031677 17.79631       5.652028      17.79631       5.652028      17.79631       5.652028      39.69278 8.031677 39.69278 8.031677 0.000000       0.000000 
1 1 1 25 0  27 o 16.34067 9.742105 3.248960       5.489084      3.248960       5.489084      3.248960       5.489084      16.34067 9.742105 16.34067 9.742105 0.000000       0.000000 
1 1 1 25 0  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 0  29 o 12.95014 8.450294 0.9039845E-01  5.165322      0.9039845E-01  5.165322      0.9039845E-01  5.165322      12.95014 8.450294 12.95014 8.450294 0.000000       0.000000 
1 1 1 25 0  30 o 19.01333 10.28348 5.593227       5.389193      5.593227       5.389193      5.593227       5.389193      19.01333 10.28348 19.01333 10.28348 0.000000       0.000000 
1 1 1 25 0  31 o 22.00828 10.45002 7.658363       5.195786      7.658363       5.195786      7.658363       5.195786      22.00828 10.45002 22.00828 10.45002 0.000000       0.000000 
1 1 1 25 0  32 o 9.719121 7.017586 -8.203872      6.159988      -8.203872      6.159988      -8.203872      6.159988      9.719121 7.017586 9.719121 7.017586 0.000000       0.000000 
1 1 1 25 0  33 o 48.95936 6.555882 26.38983       6.239335      26.38983       6.239335      26.38983       6.239335      48.95936 6.555882 48.95936 6.555882 0.000000       0.000000 
1 1 1 25 0  34 o 22.59560 10.48345 8.345562       5.208537      8.345562       5.208537      8.345562       5.208537      22.59560 10.48345 22.59560 10.48345 0.000000       0.000000 
1 1 1 25 0  35 o 97.79636 3.808489 98.26226       7.424574      98.26226       7.424574      98.26226       7.424574      97.79636 3.808489 97.79636 3.808489 0.000000       0.000000 
1 1 1 25 0  36 o 36.25999 8.583963 16.59903       5.400528      16.59903       5.400528      16.59903       5.400528      36.25999 8.583963 36.25999 8.583963 0.000000       0.000000 
1 1 1 25 1  0  o 64.30968 4.419020 41.98994       5.629357      41.98994       5.629357      41.98994       5.629357      64.30968 4.419020 64.30968 4.419020 0.000000       0.000000 
1 1 1 25 1  1  o 100.6983 2.408736 101.8045       4.845810      112.0062       7.032093      91.60282       6.668657      105.7599 3.324555 95.63667 3.486454 10.12323       4.817471 
1 1 1 25 1  2  o 102.3131 2.368069 104.8509       4.845102      107.9680       6.883317      101.7337       6.819557      103.8358 3.314521 100.7904 3.383038 3.045364       4.736137 
1 1 1 25 1  3  o 265.7022 2.540569 707.1057       13.50309      708.3809       19.06444      705.9014       19.12111      265.9362 3.584400 265.4683 3.601393 0.4679565      5.081138 
1 1 1 25 1  4  o 225.1130 2.366634 507.5349       10.65512      505.1261       15.01209      509.8728       15.12545      224.5871 3.342154 225.6389 3.351692 -1.051819      4.733269 
1 1 1 25 1  5  o 236.8115 2.405565 561.7314       11.39899      546.2872       15.77722      577.2465       16.45025      233.5507 3.377686 240.0722 3.426105 -6.521484      4.811129 
1 1 1 25 1  6  o 133.2429 2.224914 177.7505       5.929033      180.2301       8.395153      175.3418       8.373900      134.1598 3.128789 132.3259 3.164120 1.833908       4.449828 
1 1 1 25 1  7  o 197.0978 2.265868 389.0817       8.933578      389.5776       12.64586      388.5149       12.61753      197.2323 3.205830 196.9634 3.203013 0.2689209      4.531737 
1 1 1 25 1  8  o 148.1582 2.198615 219.8326       6.513506      218.9116       9.167366      220.7536       9.259464      147.8485 3.100257 148.4679 3.118338 -0.6194458     4.397229 
1 1 1 25 1  9  o 31.37099 5.115177 10.29380       3.344601      15.12545       4.905321      5.460038       4.546844      38.76239 6.327422 23.97960 8.038898 14.78280       10.23035 
1 1 1 25 1  10 o 96.60521 2.419142 93.58647       4.673656      88.91070       6.509255      98.26226       6.706913      94.18829 3.455448 99.02213 3.386573 -4.833832      4.838284 
1 1 1 25 1  11 o 152.1192 2.210803 231.9471       6.725333      223.2332       9.386987      240.6611       9.634944      149.2589 3.144531 154.9794 3.108460 -5.720459      4.421606 
1 1 1 25 1  12 o 71.49675 2.882478 51.36984       4.121064      47.85592       5.687451      54.87667       5.965872      69.04812 4.118469 73.94537 4.033973 -4.897255      5.764956 
1 1 1 25 1  13 o 138.5991 2.257067 192.7697       6.262714      178.8841       8.515590      206.7262       9.181536      133.5894 3.187225 143.6088 3.196718 -10.01935      4.514134 
1 1 1 25 1  14 o 127.9604 2.469452 164.2191       6.330016      169.5325       9.521592      158.9766       8.345562      129.9984 3.662195 125.9223 3.313774 4.076096       4.938903 
1 1 1 25 1  15 o 180.2042 2.786048 326.1003       10.01042      319.7243       16.09602      332.4056       11.90199      178.3396 4.512746 182.0687 3.268543 -3.729126      5.572096 
1 1 1 25 1  16 o 73.60150 3.074984 54.55079       4.504336      50.27174       6.568057      58.83692       6.166365      70.67947 4.646368 76.52353 4.029064 -5.844063      6.149967 
1 1 1 25 1  17 o 75.48029 4.644704 57.71048       6.937868      59.71540       7.025008      55.70557       11.96575      77.03872 4.559401 73.92185 8.093514 3.116867       9.289409 
1 1 1 25 1  18 o 139.9108 2.751997 196.7370       7.743378      189.5109       8.891070      203.9633       12.68129      137.4412 3.234500 142.3805 4.453309 -4.939362      5.503994 
1 1 1 25 1  19 o 46.03580 4.782740 21.55110       4.419322      20.85682       5.241126      22.23830       7.119940      45.39870 5.772330 46.67290 7.627490 -1.274193      9.565479 
1 1 1 25 1  20 o 76.93697 3.689081 59.91377       5.694535      53.58021       7.474166      66.25441       8.593520      72.86895 5.128499 81.00497 5.304317 -8.136024      7.378162 
1 1 1 25 1  21 o 20.33802 6.113244 0.2155110      4.394526      -1.800884      5.644944      2.231623       6.736668      17.85567 7.917912 22.82037 9.316313 -4.964708      12.22649 
1 1 1 25 1  22 o 121.0535 2.867886 147.4997       6.940702      150.4043       9.719957      144.6659       9.911241      122.2465 3.975558 119.8605 4.134490 2.386009       5.735771 
1 1 1 25 1  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 1  24 o 89.57970 3.134415 81.18858       5.627941      76.22942       7.474166      86.14774       8.416408      86.86906 4.301973 92.29034 4.559744 -5.421280      6.268830 
1 1 1 25 1  25 o 49.63931 4.403169 25.31298       4.388151      21.82740       5.690285      28.79148       6.682826      46.22060 6.155573 53.05803 6.297658 -6.837429      8.806337 
1 1 1 25 1  26 o 44.76464 4.725263 20.77889       4.254961      17.35707       5.410447      24.20071       6.568057      41.07177 6.586576 48.45752 6.777128 -7.385750      9.450526 
1 1 1 25 1  27 o 23.01493 5.780923 2.087099       4.123189      9.599521       5.518839      -5.425323      6.128108      29.79403 8.714340 16.23582 7.598459 13.55820       11.56185 
1 1 1 25 1  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 1  29 o 105.0523 2.635913 111.8645       5.539385      111.7937       7.885069      111.9354       7.778800      105.0089 3.754478 105.0957 3.700817 -0.8686829E-01 5.271826 
1 1 1 25 1  30 o 63.62910 3.436280 41.60737       4.371856      40.58720       6.188326      42.62754       6.176991      62.82585 4.924984 64.43237 4.793391 -1.606518      6.872559 
1 1 1 25 1  31 o 61.03963 3.578375 38.75231       4.366897      38.30599       6.317973      39.19864       6.029633      60.61697 5.211390 61.46229 4.905149 -0.8453140     7.156749 
1 1 1 25 1  32 o 27.38087 6.535717 8.465999       4.609187      4.478832       7.009422      12.46167       5.987834      23.02424 9.468483 31.73750 9.011672 -8.713255      13.07143 
1 1 1 25 1  33 o 22.52674 6.202056 4.876274       4.043134      6.074266       5.819932      3.677573       5.613772      23.86114 8.978061 21.19234 8.558997 2.668795       12.40411 
1 1 1 25 1  34 o 24.47038 6.342602 6.826642       4.111854      6.837976       6.407947      6.816014       5.154695      24.69377 9.384436 24.24698 8.535032 0.4467888      12.68520 
1 1 1 25 1  35 o 24.13222 6.126745 6.905280       3.875231      5.010880       5.765380      8.798972       5.180200      21.93500 8.747698 26.32944 8.580547 -4.394445      12.25349 
1 1 1 25 1  36 o 23.19298 6.160613 6.983918       3.948202      9.797889       6.184784      4.169947       4.910279      26.40242 9.343406 19.98353 8.032021 6.418884       12.32123 
1 1 1 25 2  0  o 74.34975 3.997318 55.81183       5.907779      55.81183       5.907779      55.81183       5.907779      74.34975 3.997318 74.34975 3.997318 0.000000       0.000000 
1 1 1 25 2  1  o 355.9965 3.018754 1270.254       21.49443      1268.129       30.38550      1272.380       30.40675      355.6982 4.271246 356.2947 4.267078 -0.5964966     6.037508 
1 1 1 25 2  2  o 110.6206 2.310869 122.5622       5.112897      118.9491       7.155363      126.1753       7.304138      108.9890 3.282607 112.2521 3.253451 -3.263100      4.621737 
1 1 1 25 2  3  o 188.7436 2.254111 356.7763       8.508506      363.5775       12.10744      349.9043       11.95867      190.5531 3.176920 186.9341 3.198632 3.619080       4.508222 
1 1 1 25 2  4  o 69.49146 2.903611 48.39434       4.036050      48.11805       5.628649      48.67772       5.785217      69.29221 4.061531 69.69069 4.150639 -0.3984756     5.807223 
1 1 1 25 2  5  o 244.4897 2.645101 598.8542       12.94341      593.3284       16.74072      604.4510       19.74455      243.3900 3.439072 245.5894 4.019830 -2.199387      5.290203 
1 1 1 25 2  6  o 107.1045 2.346903 114.9817       5.025757      109.8100       7.024299      120.0826       7.190785      104.7086 3.354213 109.5004 3.283453 -4.791756      4.693805 
1 1 1 25 2  7  o 99.95070 2.372387 100.1042       4.742376      98.75818       6.643860      101.3794       6.769965      99.29659 3.345463 100.6048 3.364633 -1.308205      4.744774 
1 1 1 25 2  8  o 18.75529 5.429094 1.210036       3.246126      1.557177       4.565263      0.8628943      4.616271      19.07200 7.711911 18.43857 7.643734 0.6334267      10.85819 
1 1 1 25 2  9  o 88.27981 2.512589 78.14223       4.435616      76.72533       6.274758      79.48829       6.271215      87.49731 3.585686 89.06230 3.520690 -1.564987      5.025177 
1 1 1 25 2  10 o 15.55080 4.892135 -2.533424      3.190867      0.4749461      4.547552      -5.541510      4.476707      17.90060 7.513175 13.20101 6.267705 4.699594       9.784269 
1 1 1 25 2  11 o 99.08195 2.428409 98.54564       4.807554      104.7092       6.861355      92.31127       6.736668      102.2079 3.356567 95.95598 3.510291 6.251953       4.856818 
1 1 1 25 2  12 o 60.19877 3.221651 36.48527       3.869564      33.18388       5.430283      39.77956       5.513880      57.46177 4.725127 62.93577 4.380562 -5.473995      6.443302 
1 1 1 25 2  13 o 142.4856 2.436173 203.8216       6.920157      190.9278       10.03876      216.6445       9.528677      137.9632 3.638203 147.0080 3.240870 -9.044830      4.872346 
1 1 1 25 2  14 o 99.82541 2.832938 100.0334       5.656987      99.18325       7.849646      100.8835       8.147196      99.40668 3.948249 100.2441 4.063677 -0.8374557     5.665875 
1 1 1 25 2  15 o 152.0890 2.918725 232.3722       8.891070      236.9771       13.68729      227.7673       11.35648      153.5398 4.457246 150.6382 3.769455 2.901535       5.837451 
1 1 1 25 2  16 o 183.6232 2.707055 338.6400       9.939578      341.6154       14.07694      335.6644       14.04151      184.4324 3.816286 182.8140 3.840384 1.618454       5.414110 
1 1 1 25 2  17 o 75.17290 3.166934 56.95244       4.718289      62.06746       6.227291      51.84450       7.091603      78.60098 3.961332 71.74481 4.942241 6.856163       6.333869 
1 1 1 25 2  18 o 94.22061 3.142998 89.33577       5.898569      91.24860       6.900320      87.42295       9.571183      95.32763 3.619266 93.11359 5.139520 2.214035       6.285997 
1 1 1 25 2  19 o 84.87212 3.267312 72.61631       5.545053      72.40377       6.437701      72.75800       9.032760      84.87314 3.792544 84.87109 5.321459 0.2052307E-02  6.534625 
1 1 1 25 2  20 f 65.74590 4.416920 43.52020       5.807888      43.52020       5.807888      ?              ?             65.74590 4.416920 ?        ?        ?              ?        
1 1 1 25 2  21 o 38.61468 6.037811 15.58594       4.668697      18.63228       5.508921      12.53960       7.537927      42.81667 6.433150 34.41269 10.21936 8.403976       12.07562 
1 1 1 25 2  22 o 52.46302 4.825197 28.09011       4.953495      30.43509       5.369356      25.74514       8.324308      54.89723 4.890371 50.02880 8.319517 4.868431       9.650393 
1 1 1 25 2  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 2  24 o 40.98946 5.587635 18.00176       4.502211      12.91508       5.906363      23.09553       6.796887      34.58228 8.571732 47.39663 7.170222 -12.81435      11.17527 
1 1 1 25 2  25 o 19.42704 5.821343 0.3008795      3.985749      -1.928406      5.217747      2.530590       6.026091      16.88775 7.542355 21.96632 8.869331 -5.078568      11.64269 
1 1 1 25 2  26 o 123.8475 2.679244 154.8676       6.638193      153.6632       8.593520      156.0719       10.12378      123.4586 3.480324 124.2364 4.074399 -0.7778244     5.358487 
1 1 1 25 2  27 o 115.8079 3.002723 136.2353       6.948495      124.7584       9.642029      147.6413       10.00334      110.8973 4.347280 120.7184 4.143252 -9.821167      6.005446 
1 1 1 25 2  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 2  29 f 47.75652 4.705510 23.83940       4.510713      25.24922       6.909530      22.42958       5.800095      49.04829 7.043600 46.46476 6.241392 2.583534       9.411019 
1 1 1 25 2  30 o 46.50491 5.584122 23.93859       5.011588      17.36415       6.694161      30.50593       7.459997      39.27831 8.748682 53.73151 6.941920 -14.45321      11.16824 
1 1 1 25 2  31 o 29.75095 5.828971 8.983169       4.344226      1.241916       6.636776      16.71946       5.605979      20.80160 8.915982 38.70030 7.510851 -17.89870      11.65794 
1 1 1 25 2  32 o 68.26057 9.745542 59.53829       13.30472      59.53829       13.30472      ?              ?             68.26057 9.745542 ?        ?        ?              ?        
1 1 1 25 2  33 o 22.76317 6.299351 4.697744       4.341393      8.784801       6.830893      0.6101895      5.360146      27.31296 9.803819 18.21339 7.912803 9.099564       12.59870 
1 1 1 25 2  34 o 91.06437 3.122266 87.06872       5.688868      88.13139       8.798972      85.93520       7.212039      91.22476 4.822688 90.90398 3.966845 0.3207855      6.244532 
1 1 1 25 2  35 o 25.88380 6.313653 8.664365       4.013380      10.97392       6.281133      6.354104       4.998127      28.65718 9.448453 23.11042 8.377085 5.546764       12.62731 
1 1 1 25 2  36 o 52.01585 4.416791 31.23564       4.554636      30.64054       7.183701      31.83074       5.605979      50.47312 7.116364 53.55859 5.233501 -3.085468      8.833582 
1 1 1 25 3  0  o 18.02520 9.707910 4.701995       4.786300      4.701995       4.786300      4.701995       4.786300      18.02520 9.707910 18.02520 9.707910 0.000000       0.000000 
1 1 1 25 3  1  o 121.5923 2.263951 148.0664       5.506795      154.0883       7.934660      142.1154       7.637110      124.0509 3.198147 119.1336 3.205270 4.917244       4.527903 
1 1 1 25 3  2  o 102.9127 2.358217 106.1969       4.851478      99.67917       6.755795      112.6438       6.964789      99.76553 3.385837 106.0599 3.283423 -6.294357      4.716435 
1 1 1 25 3  3  o 78.41008 2.744993 61.89035       4.286842      70.26424       6.189034      53.50936       5.933992      83.74892 3.694993 73.07124 4.060416 10.67769       5.489987 
1 1 1 25 3  4  o 44.75983 3.941370 20.20504       3.511087      17.54127       4.896110      22.86882       5.034966      41.78676 5.858447 47.73289 5.274107 -5.946133      7.882741 
1 1 1 25 3  5  o 337.4819 2.922284 1142.024       19.73747      1185.948       28.76314      1098.100       27.03452      343.9651 4.181114 330.9988 4.083780 12.96631       5.844568 
1 1 1 25 3  6  o 160.6148 2.213760 258.3723       7.112856      261.2062       10.06710      255.4677       10.04585      161.5078 3.116600 159.7218 3.144795 1.785934       4.427519 
1 1 1 25 3  7  o 18.60848 5.419490 0.9358647      3.280132      2.102685       4.665155      -0.2304593     4.613438      19.84963 7.883686 17.36733 7.438480 2.482302       10.83898 
1 1 1 25 3  8  o 116.1949 2.291434 135.2434       5.326140      136.6604       7.630026      133.8265       7.431659      116.8020 3.266222 115.5877 3.214727 1.214294       4.582867 
1 1 1 25 3  9  o 298.3786 2.702967 892.6493       16.13144      906.8183       23.13095      878.4802       22.49334      300.7422 3.845645 296.0150 3.799359 4.727173       5.405933 
1 1 1 25 3  10 o 82.22118 2.624238 67.80592       4.314471      69.99503       6.125983      65.60972       6.076391      83.55367 3.665897 80.88869 3.756021 2.664978       5.248476 
1 1 1 25 3  11 o 205.6304 2.477878 424.0792       10.21588      439.0984       15.68512      409.0600       13.09927      209.2342 3.748221 202.0266 3.241968 7.207687       4.955756 
1 1 1 25 3  12 o 21.55256 5.772908 3.411196       3.428198      3.888692       5.160363      2.933699       4.514255      22.56952 8.461538 20.53559 7.855459 2.033939       11.54582 
1 1 1 25 3  13 o 186.7812 2.495981 349.9752       9.351563      337.2939       11.81698      362.7273       14.50201      183.4325 3.221070 190.1298 3.813712 -6.697372      4.991962 
1 1 1 25 3  14 o 64.19186 3.464235 41.44443       4.449077      41.19647       5.792302      41.69239       6.755087      64.02703 4.523325 64.35669 5.248163 -0.3296585     6.928470 
1 1 1 25 3  15 o 19.56959 5.761720 0.6925116      3.788092      2.105519       5.006629      -0.7204955     5.685325      20.31211 8.132689 18.82706 8.163886 1.485048       11.52344 
1 1 1 25 3  16 o 121.2126 3.536570 148.9874       8.593520      172.9331       13.06385      125.0417       11.17937      131.0200 4.985443 111.4052 5.017437 19.61479       7.073140 
1 1 1 25 3  17 f 143.2797 2.512230 206.0886       7.183701      211.6854       9.394071      200.4919       10.86765      145.2711 3.233290 141.2883 3.845912 3.982742       5.024461 
1 1 1 25 3  18 o 114.1568 3.111511 131.2053       7.052638      135.3143       7.792970      127.0254       11.76030      116.1110 3.355827 112.2027 5.240650 3.908333       6.223021 
1 1 1 25 3  19 o 86.50864 3.370350 75.45012       5.769631      79.70082       6.720373      71.27025       9.379901      89.05341 3.773226 83.96387 5.585677 5.089531       6.740699 
1 1 1 25 3  20 o 102.3741 3.312561 106.0552       6.850729      92.80718       8.366816      119.3033       10.85348      96.00877 4.357319 108.7394 4.990593 -12.73062      6.625123 
1 1 1 25 3  21 o 89.55611 3.254449 80.90520       5.749086      86.00604       6.458955      75.87518       9.514507      92.51810 3.490644 86.59412 5.493738 5.923988       6.508898 
1 1 1 25 3  22 o 164.5552 3.487255 272.1872       11.47692      272.1872       11.47692      ?              ?             164.5552 3.487255 ?        ?        ?              ?        
1 1 1 25 3  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 3  24 o 47.08382 5.624435 23.31515       5.079599      24.90208       5.825599      21.73530       8.324308      49.43762 5.891869 44.73002 9.582430 4.707600       11.24887 
1 1 1 25 3  25 o 88.20607 3.299163 78.92152       5.820640      85.01421       8.494337      72.82884       7.962997      91.62311 4.635478 84.78903 4.695771 6.834076       6.598327 
1 1 1 25 3  26 o 87.43616 3.349629 77.71716       5.848978      84.16407       8.388069      71.34109       8.154280      91.08366 4.604596 83.78867 4.865980 7.294998       6.699259 
1 1 1 25 3  27 o 126.7678 2.918354 162.8731       7.396237      162.5897       10.47092      163.0856       10.45675      126.6688 4.133186 126.8667 4.121155 -0.1978912     5.836707 
1 1 1 25 3  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 3  29 o 44.53537 5.739132 22.06119       4.885483      14.48784       6.847187      29.64162       6.970457      35.79241 9.431791 53.27833 6.541550 -17.48592      11.47826 
1 1 1 25 3  30 o 20.04196 6.042131 0.9046929      4.270547      0.9656198      6.155738      0.8430576      5.921240      20.25484 8.631042 19.82909 8.457808 0.4257488      12.08426 
1 1 1 25 3  31 o 84.63282 3.277971 74.10406       5.504670      68.30892       8.260548      79.91336       7.275800      81.02934 5.097257 88.23630 4.122906 -7.206955      6.555943 
1 1 1 25 3  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 3  33 o 30.81664 6.262691 10.88890       4.604228      4.991043       7.054762      16.78322       5.917697      23.75109 9.593821 37.88219 8.052563 -14.13110      12.52538 
1 1 1 25 3  34 o 54.94027 4.262525 32.99968       4.701286      34.74956       7.410406      31.24981       5.788759      55.91467 6.626532 53.96587 5.363352 1.948795       8.525049 
1 1 1 25 3  35 o 20.49623 5.959996 3.639317       4.000627      3.111520       6.330725      4.167114       4.893985      20.55943 8.756602 20.43303 8.087529 0.1264019      11.91999 
1 1 1 25 3  36 o 16.61783 5.338327 -0.3793759     3.904986      -0.6048053     6.067182      -0.1539466     4.916656      17.15824 7.841671 16.07742 7.245631 1.080824       10.67665 
1 1 1 25 4  0  o 93.61217 3.465120 88.06055       6.468165      88.06055       6.468165      88.06055       6.468165      93.61217 3.465120 93.61217 3.465120 0.000000       0.000000 
1 1 1 25 4  1  o 128.6510 2.242938 165.7069       5.772465      168.6824       8.210957      162.8022       8.111773      129.7926 3.163107 127.5093 3.180854 2.283241       4.485876 
1 1 1 25 4  2  o 197.2603 2.268442 389.6485       8.947746      391.5613       12.73796      387.7357       12.57502      197.7435 3.220830 196.7772 3.195242 0.9662323      4.536885 
1 1 1 25 4  3  o 234.5897 2.405536 551.1755       11.28564      542.5323       15.80556      559.8894       16.11728      232.7435 3.395489 236.4359 3.408383 -3.692368      4.811073 
1 1 1 25 4  4  o 65.13037 3.028900 42.54253       3.942534      44.03028       5.525216      41.04770       5.625107      66.27668 4.168295 63.98406 4.395710 2.292618       6.057801 
1 1 1 25 4  5  o 101.6920 2.642671 103.7173       5.351645      108.9599       7.046970      98.40395       8.055097      104.3003 3.378213 99.08382 4.064789 5.216446       5.285341 
1 1 1 25 4  6  o 129.6906 2.256669 168.5407       5.856771      162.2355       8.104689      174.7751       8.451830      127.2774 3.183868 132.1037 3.198937 -4.826332      4.513337 
1 1 1 25 4  7  o 230.2660 2.384379 531.1971       10.98100      533.3933       15.57885      528.9301       15.47967      230.7493 3.375711 229.7827 3.368328 0.9665375      4.768758 
1 1 1 25 4  8  o 45.15275 4.024886 20.69388       3.592559      16.67695       5.003795      24.71080       5.156821      40.70822 6.145926 49.59727 5.198694 -8.889053      8.049772 
1 1 1 25 4  9  o 20.30659 5.643158 1.869604       3.495501      -0.4507170     5.195077      4.189784       4.678616      18.23293 7.853629 22.38025 8.105643 -4.147316      11.28632 
1 1 1 25 4  10 o 29.75286 5.903425 8.919409       3.898610      13.20554       5.345977      4.624065       5.674699      35.44009 7.755259 24.06563 8.902678 11.37446       11.80685 
1 1 1 25 4  11 o 24.92048 6.043791 5.720748       3.664113      6.255630       4.796926      5.185867       5.540093      25.27740 8.257021 24.56356 8.827867 0.7138329      12.08758 
1 1 1 25 4  12 o 41.20212 4.641356 17.19412       3.847601      15.38049       4.898944      19.00776       5.933284      39.04055 6.274175 43.36369 6.841304 -4.323143      9.282711 
1 1 1 25 4  13 o 195.1540 2.548996 382.0680       9.960832      377.1797       12.80881      386.8855       15.25297      193.9624 3.301879 196.3457 3.884213 -2.383270      5.097991 
1 1 1 25 4  14 o 107.5509 2.701061 116.1152       5.824182      112.7147       7.495420      119.5158       8.912323      106.0034 3.535462 109.0984 4.084535 -3.094978      5.402122 
1 1 1 25 4  15 o 42.10996 5.045582 19.04318       4.138067      11.44150       5.087392      26.64487       6.529091      32.89310 7.834413 51.32682 6.360312 -18.43372      10.09116 
1 1 1 25 4  16 o 51.52857 4.828825 26.94951       4.987500      28.51518       7.474166      25.37674       6.607021      53.00693 7.050179 50.05021 6.600393 2.956718       9.657650 
1 1 1 25 4  17 o 46.71651 4.382957 22.11786       4.114688      20.10586       5.287884      24.12987       6.306637      44.60959 5.926847 48.82343 6.458619 -4.213837      8.765915 
1 1 1 25 4  18 o 43.45900 6.810381 19.39741       6.159988      26.22688       5.542927      12.56793       11.00226      50.95323 5.439230 35.96476 12.48759 14.98846       13.62076 
1 1 1 25 4  19 o 20.72215 6.067729 0.9535762      4.231582      2.591516       5.005920      -0.6841519     6.823808      20.78488 8.194422 20.65942 8.951021 0.1254616      12.13546 
1 1 1 25 4  20 o 28.03912 6.113657 6.582934       4.400903      12.67420       5.508212      0.4878399      6.864897      34.50542 8.109738 21.57283 9.150923 12.93259       12.22731 
1 1 1 25 4  21 o 21.71381 6.320495 1.917071       4.463954      0.1708786      5.204995      3.662696       7.254546      18.67105 7.945763 24.75657 9.831555 -6.085526      12.64099 
1 1 1 25 4  22 o 86.05502 3.666249 75.09589       6.383859      68.52146       7.374983      81.68449       10.42133      82.40789 4.474683 89.70215 5.808850 -7.294258      7.332498 
1 1 1 25 4  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 4  24 o 101.8111 3.204409 104.8509       6.506421      106.5511       7.750463      103.0797       10.44966      102.8275 3.768674 100.7948 5.183633 2.032677       6.408819 
1 1 1 25 4  25 o 53.93160 4.598318 29.83290       4.941452      30.30048       5.873774      29.36533       7.948828      54.56727 5.382140 53.29594 7.457256 1.271328       9.196635 
1 1 1 25 4  26 o 89.93990 3.597996 82.32210       6.478083      81.04688       8.288886      83.66816       9.960832      89.35900 4.637969 90.52081 5.501957 -1.161804      7.195992 
1 1 1 25 4  27 o 116.3887 3.008470 137.5105       7.003754      133.5432       9.734127      141.4070       10.07418      114.7288 4.242234 118.0485 4.266967 -3.319733      6.016940 
1 1 1 25 4  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 4  29 o 18.97089 5.873637 -0.6095519     4.271256      -1.648567      5.996336      0.4295343      6.084892      18.13356 8.092493 19.80821 8.515280 -1.674658      11.74727 
1 1 1 25 4  30 o 35.02018 5.734606 13.86440       4.484500      23.40725       6.647403      4.327223       6.021840      46.91950 7.083838 23.12085 9.020094 23.79865       11.46921 
1 1 1 25 4  31 o 94.69920 3.057696 92.59465       5.811430      81.33026       7.573349      103.7882       8.820225      88.97425 4.255922 100.4242 4.391485 -11.44991      6.115392 
1 1 1 25 4  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 4  33 o 26.89874 7.465456 8.147196       5.955954      12.25622       9.578268      4.039592       7.079559      30.92454 11.54101 22.87294 9.472972 8.051598       14.93091 
1 1 1 25 4  34 o 23.53831 5.770274 5.598186       3.744876      11.08019       5.521673      0.1137065      5.060471      29.89463 8.707860 17.18199 7.573469 12.71264       11.54055 
1 1 1 25 4  35 o 25.18294 6.023478 8.012589       3.710871      10.72596       5.462163      5.297802       5.023631      28.64848 8.738308 21.71741 8.292833 6.931076       12.04696 
1 1 1 25 4  36 o 19.70898 5.908960 3.251085       4.127440      2.164320       6.365439      4.338559       5.256712      19.19472 8.472990 20.22324 8.238428 -1.028522      11.81792 
1 1 1 25 5  0  o 17.27065 9.606156 4.161446       4.840851      4.161446       4.840851      4.161446       4.840851      17.27065 9.606156 17.27065 9.606156 0.000000       0.000000 
1 1 1 25 5  1  o 136.9143 2.225699 187.8106       6.096936      198.0831       8.827310      177.6089       8.409323      140.6484 3.138077 133.1803 3.157121 7.468140       4.451397 
1 1 1 25 5  2  o 137.7513 2.235538 190.0776       6.158571      194.7534       8.848563      185.3310       8.572267      139.4584 3.172474 136.0443 3.150543 3.414108       4.471075 
1 1 1 25 5  3  o 107.8387 2.314302 116.5403       4.991751      122.4913       7.169532      110.5893       6.944245      110.5954 3.241334 105.0821 3.304200 5.513313       4.628604 
1 1 1 25 5  4  o 145.9479 2.199365 213.3148       6.419281      209.7017       9.025676      216.9279       9.131943      144.7112 3.118513 147.1845 3.102210 -2.473267      4.398730 
1 1 1 25 5  5  o 80.71170 2.667103 65.29092       4.302428      67.28167       6.019006      63.30725       6.149361      81.94455 3.672609 79.47884 3.868553 2.465706       5.334207 
1 1 1 25 5  6  o 270.7715 2.567453 734.6645       13.90691      730.4138       19.58161      738.9152       19.74455      269.9888 3.626374 271.5541 3.635473 -1.565277      5.134905 
1 1 1 25 5  7  o 73.82023 3.213436 54.69956       4.747335      52.81508       6.500045      56.57696       6.920866      72.55411 4.479447 75.08635 4.608604 -2.532242      6.426872 
1 1 1 25 5  8  o 344.4078 3.208378 1190.199       22.10369      1187.365       28.79148      1193.741       33.54519      344.0415 4.184303 344.7740 4.864808 -0.7325745     6.416756 
1 1 1 25 5  9  o 91.95557 2.699868 85.01421       4.998836      76.51279       6.282550      93.51564       7.778800      87.36102 3.595740 96.55013 4.028374 -9.189110      5.399736 
1 1 1 25 5  10 f 206.7523 2.519588 428.6841       10.43549      421.3163       13.39682      435.9812       15.99684      205.0280 3.267072 208.4765 3.836605 -3.448517      5.039176 
1 1 1 25 5  11 o 152.2766 2.440026 232.5139       7.438744      229.8926       9.656199      235.1351       11.31397      151.4482 3.187955 153.1050 3.694842 -1.656845      4.880053 
1 1 1 25 5  12 o 59.81859 3.641043 37.41334       4.339267      23.15929       5.224123      51.66030       6.929367      47.95785 5.446579 71.67934 4.833588 -23.72149      7.282087 
1 1 1 25 5  13 o 143.7103 2.982925 207.4347       8.543928      213.0314       10.83931      201.8379       13.21971      145.7167 3.719311 141.7038 4.664557 4.012848       5.965850 
1 1 1 25 5  14 o 65.98320 3.736010 44.34200       4.893985      53.63689       7.219123      35.04711       6.606313      73.00572 4.944218 58.96068 5.602304 14.04504       7.472021 
1 1 1 25 5  15 o 106.2623 2.971723 113.7065       6.315140      104.0007       8.650196      123.4123       9.202788      101.7123 4.252285 110.8122 4.152424 -9.099892      5.943446 
1 1 1 25 5  16 o 268.7415 2.875335 726.1631       15.44425      736.7899       20.66554      714.8279       22.94675      270.8534 3.814894 266.6297 4.303113 4.223663       5.750669 
1 1 1 25 5  17 o 143.3941 2.561164 206.4428       7.353730      203.7507       9.542846      209.1350       11.18645      142.5003 3.348360 144.2880 3.876432 -1.787750      5.122327 
1 1 1 25 5  18 o 101.9375 2.889680 105.0634       5.797969      120.0826       7.722124      90.04422       8.650196      109.3378 3.531315 94.53723 4.575021 14.80058       5.779360 
1 1 1 25 5  19 o 55.66620 4.327899 31.59695       4.911696      26.44650       5.608104      36.74739       8.062181      51.16726 5.480168 60.16514 6.700043 -8.997879      8.655797 
1 1 1 25 5  20 o 66.24989 4.197441 45.51094       5.179491      59.28325       6.451871      31.74572       8.104689      76.73036 4.204249 55.76943 7.266247 20.96093       8.394882 
1 1 1 25 5  21 o 67.56789 4.131774 46.77198       5.345269      56.70448       6.603478      36.83949       8.409323      75.01669 4.401340 60.11909 6.993887 14.89759       8.263549 
1 1 1 25 5  22 o 153.7943 3.111519 238.7483       9.528677      244.2742       10.96683      233.2932       15.57885      155.8223 3.519020 151.7663 5.132514 4.055969       6.223038 
1 1 1 25 5  23 o 34.44209 7.131575 12.93633       5.316222      10.90307       6.064347      14.96959       8.735210      31.83680 9.078407 37.04737 11.00091 -5.210571      14.26315 
1 1 1 25 5  24 o 22.14696 6.381917 1.590474       4.687826      3.936158       5.324723      -0.7545011     7.715039      22.56411 8.560561 21.72980 9.467432 0.8343105      12.76383 
1 1 1 25 5  25 o 24.59783 6.431989 4.692076       4.563846      -1.212161      5.239001      10.59844       7.474166      17.45275 7.697658 31.74291 10.30670 -14.29016      12.86398 
1 1 1 25 5  26 o 125.6936 2.897104 160.2518       7.424574      145.5869       7.509589      174.9167       12.80172      120.2415 3.122710 131.1456 4.880730 -10.90405      5.794208 
1 1 1 25 5  27 o 86.58775 3.530190 76.58364       6.158571      73.53729       6.269090      79.70082       10.59844      85.26068 3.676425 87.91481 6.027675 -2.654129      7.060380 
1 1 1 25 5  28 o 29.64354 6.904014 9.691620       4.835892      6.841519       5.469248      12.53960       7.977167      25.83749 8.816694 33.44958 10.62674 -7.612091      13.80803 
1 1 1 25 5  29 o 87.49185 3.409472 78.63815       5.969415      82.95970       8.685618      74.31659       8.189702      89.89335 4.831069 85.09036 4.812356 4.802986       6.818944 
1 1 1 25 5  30 o 28.83056 6.354855 9.316141       4.084933      9.748297       5.387776      8.883986       6.141568      29.36950 8.616674 28.29162 9.342892 1.077883       12.70971 
1 1 1 25 5  31 o 44.11406 5.347585 21.50151       4.641068      17.39958       5.944619      25.61053       7.127024      39.46821 7.808689 48.75991 7.308284 -9.291698      10.69517 
1 1 1 25 5  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 5  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 5  34 o 31.49863 6.212929 12.52543       4.082807      10.66928       5.476333      14.37449       6.056554      29.19310 8.718897 33.80415 8.853405 -4.611055      12.42586 
1 1 1 25 5  35 o 19.13017 5.589302 1.702410       3.815013      6.424950       5.323307      -3.020130      5.465705      23.02125 8.601372 15.23910 7.139860 7.782147       11.17860 
1 1 1 25 5  36 o 44.07772 5.113375 24.17237       4.335016      18.68896       5.917697      29.66288       6.336393      37.85232 8.057231 50.30313 6.298210 -12.45081      10.22675 
1 1 1 25 6  0  o 111.8815 3.346818 125.6085       7.474166      125.6085       7.474166      125.6085       7.474166      111.8815 3.346818 111.8815 3.346818 0.000000       0.000000 
1 1 1 25 6  1  f 199.0779 2.284204 396.8747       9.096521      400.2044       12.97175      393.6158       12.75213      199.9028 3.244515 198.2530 3.216126 1.649765       4.568407 
1 1 1 25 6  2  o 98.39009 2.491406 97.05790       4.900361      91.46112       6.844352      102.6547       7.013672      95.54804 3.581629 101.2321 3.464153 -5.684097      4.982813 
1 1 1 25 6  3  o 78.18874 2.762307 61.60696       4.305262      70.70348       6.286093      52.51044       5.883692      84.00008 3.741718 72.37739 4.064593 11.62269       5.524615 
1 1 1 25 6  4  o 146.8461 2.331212 216.0069       6.862064      212.0396       8.352647      219.9743       10.88890      145.5263 2.869806 148.1660 3.674563 -2.639633      4.662425 
1 1 1 25 6  5  o 71.12146 3.148991 50.77474       4.454036      53.36059       5.710830      48.18181       6.837267      72.96124 3.913605 69.28169 4.934398 3.679543       6.297983 
1 1 1 25 6  6  o 153.0093 2.401940 234.5684       7.346645      236.2687       9.599521      232.8681       11.12269      153.5862 3.125125 152.4323 3.648405 1.153931       4.803880 
1 1 1 25 6  7  o 119.0734 2.541958 142.1863       6.026091      150.1918       8.012589      134.2516       9.004422      122.4360 3.272156 115.7109 3.890913 6.725014       5.083916 
1 1 1 25 6  8  o 230.1727 2.791455 531.5514       12.85840      512.9191       17.68296      550.1837       18.66770      226.1439 3.909668 234.2014 3.985396 -8.057434      5.582911 
1 1 1 25 6  9  o 175.2793 2.601308 308.1765       9.124859      300.4544       12.58210      315.8278       13.21263      173.0987 3.634373 177.4600 3.722706 -4.361282      5.202615 
1 1 1 25 6  10 o 81.44781 3.084925 66.62989       5.025048      65.09963       7.043427      68.15306       7.169532      80.51363 4.374060 82.38199 4.351396 -1.868362      6.169849 
1 1 1 25 6  11 o 62.96963 3.662668 40.19755       4.559595      47.14746       6.446911      33.24764       6.449745      68.48817 4.706587 57.45108 5.613250 11.03709       7.325336 
1 1 1 25 6  12 o 38.43975 5.584049 15.52926       4.149402      15.91183       5.845435      15.14670       5.890777      38.95116 7.778795 37.92834 8.013535 1.022820       11.16810 
1 1 1 25 6  13 o 55.65313 5.369282 33.11303       5.139817      45.95018       6.036717      20.27589       8.317224      67.62128 4.463623 43.68497 9.766926 23.93630       10.73856 
1 1 1 25 6  14 o 106.1678 2.794635 113.2106       5.942493      111.5812       7.651280      114.8400       9.089437      105.4397 3.628273 106.8959 4.251538 -1.456169      5.589270 
1 1 1 25 6  15 o 42.25387 6.794324 18.97234       5.693827      19.00776       9.259464      18.93692       6.624732      42.07204 10.91360 42.43569 8.095969 -0.3636436     13.58865 
1 1 1 25 6  16 o 129.2271 2.585169 167.6905       6.685660      166.3445       8.813140      168.9658       10.05293      128.7532 3.422493 129.7010 3.875427 -0.9477386     5.170338 
1 1 1 25 6  17 o 76.25457 3.340296 58.57479       5.088809      59.36826       6.619065      57.77424       7.729208      76.81957 4.308189 75.68957 5.105862 1.130005       6.680593 
1 1 1 25 6  18 o 111.4970 3.086633 125.2543       6.806805      132.6930       7.970083      117.8155       11.03768      114.9484 3.466808 108.0455 5.107882 6.902885       6.173267 
1 1 1 25 6  19 o 55.03426 5.337114 30.59095       5.874482      30.59095       5.874482      ?              ?             55.03426 5.337114 ?        ?        ?              ?        
1 1 1 25 6  20 o 113.8453 3.107990 130.5677       7.091603      129.0091       8.062181      132.1971       11.66112      113.2992 3.557916 114.3914 5.097023 -1.092255      6.215981 
1 1 1 25 6  21 o 33.35656 7.080215 11.49109       5.248919      13.10636       6.387401      9.868733       8.331393      34.96788 9.061368 31.74524 10.88161 3.222641       14.16043 
1 1 1 25 6  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 6  23 o 131.2671 2.959106 174.2791       7.892153      160.3935       8.111773      188.1648       13.54560      126.2874 3.211632 136.2467 4.970982 -9.959320      5.918212 
1 1 1 25 6  24 o 79.65092 3.560248 64.34867       5.637859      65.65223       6.029633      63.05221       9.528677      80.70843 3.735442 78.59341 6.062007 2.115021       7.120496 
1 1 1 25 6  25 o 68.30858 3.996433 47.96218       5.207829      56.36443       5.817806      39.55286       8.643111      74.70622 3.893789 61.91093 6.980279 12.79530       7.992865 
1 1 1 25 6  26 o 29.42309 6.610342 9.394071       4.486625      6.940702       4.776382      11.85240       7.594603      25.81458 8.225119 33.03160 10.35055 -7.217020      13.22068 
1 1 1 25 6  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 6  28 o 112.2843 3.037781 128.5132       6.922283      118.8074       7.098687      138.2189       11.88782      108.4456 3.272926 116.1230 5.118635 -7.677376      6.075563 
1 1 1 25 6  29 o 25.05389 6.676791 5.811430       4.595727      4.570931       5.561347      7.051930       7.318307      23.02789 8.745131 27.07988 10.09162 -4.051989      13.35358 
1 1 1 25 6  30 o 16.97548 5.422552 -2.291133      3.981499      -0.4850769     5.255295      -4.097685      5.982875      17.58797 7.736833 16.36299 7.599849 1.224976       10.84510 
1 1 1 25 6  31 o 63.36885 3.985790 42.08204       5.062596      39.68747       6.740918      44.47660       7.552096      61.64876 5.467198 65.08894 5.801366 -3.440186      7.971581 
1 1 1 25 6  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 6  33 f 16.31980 7.872709 0.000000       0.000000      ?              ?             -8.090520      7.686701      ?        ?        16.31980 7.872709 ?              ?        
1 1 1 25 6  34 o 15.74984 5.165967 -2.749501      3.890817      -4.805429      5.280091      -0.6942119     5.715789      14.21984 6.777254 17.27985 7.798572 -3.060010      10.33193 
1 1 1 25 6  35 o 20.34670 5.832783 3.526673       3.899319      6.424950       5.236876      0.6283259      5.778841      22.84476 8.532085 17.84865 7.955435 4.996109       11.66557 
1 1 1 25 6  36 o 16.69575 5.396921 -0.2980456     4.068638      -0.3697410     5.445160      -0.2263503     6.047344      16.32790 7.449430 17.06359 7.811082 -0.7356873     10.79384 
1 1 1 25 7  0  o 120.5117 3.959867 145.8702       9.521592      145.8702       9.521592      145.8702       9.521592      120.5117 3.959867 120.5117 3.959867 0.000000       0.000000 
1 1 1 25 7  1  o 171.5570 2.464972 294.8576       8.458915      293.3699       10.91724      296.3454       12.92925      171.1497 3.189384 171.9644 3.759280 -0.8146667     4.929945 
1 1 1 25 7  2  o 195.9668 2.647343 384.9727       10.37173      398.7167       14.85623      371.2287       14.48784      199.4683 3.723959 192.4654 3.763752 7.002899       5.294686 
1 1 1 25 7  3  o 131.6443 2.581969 173.7832       6.796178      182.9222       9.748297      164.6442       9.472000      135.1115 3.607502 128.1771 3.694887 6.934341       5.163938 
1 1 1 25 7  4  o 82.03252 3.050174 67.51546       5.005212      65.05004       6.928658      69.98795       7.226208      80.53285 4.301759 83.53217 4.325404 -2.999321      6.100348 
1 1 1 25 7  5  o 63.06400 3.658009 40.08420       4.580141      44.70331       6.355521      35.46510       6.597811      66.73154 4.762006 59.39646 5.554044 7.335083       7.316018 
1 1 1 25 7  6  o 71.23965 3.289616 50.95894       4.688534      49.64122       6.473832      52.27666       6.784134      70.32137 4.603034 72.15795 4.700891 -1.836586      6.579233 
1 1 1 25 7  7  o 128.5800 2.612202 165.7777       6.719665      163.0148       9.323226      168.5407       9.677451      127.5119 3.655825 129.6480 3.732202 -2.136124      5.224403 
1 1 1 25 7  8  o 95.22694 2.898710 91.03606       5.519547      89.97337       7.637110      92.02789       7.977167      94.69479 4.032487 95.75909 4.165227 -1.064301      5.797419 
1 1 1 25 7  9  o 40.76405 5.208080 17.10911       4.143026      17.86716       5.634317      16.34398       6.076391      42.06240 6.697569 39.46569 7.977403 2.596706       10.41616 
1 1 1 25 7  10 o 111.4690 2.772979 124.9709       6.189034      113.2106       8.338477      136.7312       9.146112      106.2121 3.925391 116.7259 3.917775 -10.51380      5.545958 
1 1 1 25 7  11 o 161.3908 2.497905 261.2770       8.055097      264.3234       10.65512      258.1598       12.08619      162.3751 3.281018 160.4064 3.767364 1.968704       4.995810 
1 1 1 25 7  12 o 39.09106 5.375843 15.79139       4.108312      16.69821       5.365105      14.88457       6.223041      40.65185 6.598846 37.53028 8.488461 3.121563       10.75169 
1 1 1 25 7  13 f 60.10369 3.797299 36.68364       4.585100      30.25089       5.865981      43.11637       7.048388      54.79420 5.352739 65.41318 5.387589 -10.61898      7.594599 
1 1 1 25 7  14 o 106.5728 3.173965 114.2733       6.796887      111.0852       7.587519      117.4613       11.27855      105.1967 3.606347 107.9488 5.224028 -2.752075      6.347929 
1 1 1 25 7  15 o 261.7615 3.436409 690.0320       18.00884      682.3099       22.69880      697.7542       27.96259      260.4759 4.357178 263.0470 5.315132 -2.571136      6.872818 
1 1 1 25 7  16 o 56.37482 4.588171 33.74356       5.287884      19.54619       5.726415      47.94802       8.891070      43.93304 6.517209 68.81660 6.459975 -24.88355      9.176343 
1 1 1 25 7  17 o 174.7142 3.047003 307.6806       10.57010      329.8551       13.80772      285.4352       16.00393      181.1534 3.811059 168.2751 4.755285 12.87823       6.094007 
1 1 1 25 7  18 o 122.0683 2.963740 149.9084       7.190785      153.3798       7.707955      146.4370       12.14995      123.6433 3.117014 120.4934 5.041750 3.149902       5.927481 
1 1 1 25 7  19 o 144.0342 3.867398 209.8434       11.06602      212.3230       8.919409      207.2930       20.25464      145.4532 3.066075 142.6153 7.101145 2.837921       7.734797 
1 1 1 25 7  20 o 58.08346 4.629229 34.35283       5.252461      37.24331       5.541510      31.45526       8.926493      60.78082 4.558601 55.38610 8.058424 5.394718       9.258458 
1 1 1 25 7  21 o 183.3026 2.978338 338.8525       11.02351      323.1957       11.33523      354.5093       18.90858      179.3789 3.159576 187.2262 5.049661 -7.847290      5.956677 
1 1 1 25 7  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 7  23 o 38.85942 6.130074 15.69221       5.003087      22.85465       5.234042      8.529759       8.529759      47.41588 5.519292 30.30297 10.94754 17.11291       12.26015 
1 1 1 25 7  24 f 73.04008 3.665581 54.23198       5.396277      51.82325       5.710121      56.64072       9.160281      71.65165 3.984641 74.42851 6.153745 -2.776863      7.331162 
1 1 1 25 7  25 o 72.24394 4.019653 54.00528       5.423907      66.59447       6.004128      41.40900       9.032760      81.22802 3.695848 63.25986 7.139409 17.96816       8.039307 
1 1 1 25 7  26 o 55.35526 5.447068 33.92776       5.025757      48.74857       5.695952      19.10695       8.281801      69.36978 4.105500 41.34073 10.09094 28.02905       10.89414 
1 1 1 25 7  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 7  28 o 121.0016 2.995414 149.0583       7.233293      149.2708       7.757547      148.7749       12.21371      121.5618 3.190784 120.4414 5.070397 1.120407       5.990829 
1 1 1 25 7  29 o 44.19134 5.371036 21.50151       4.859271      15.74180       5.039217      27.26122       8.310139      38.13939 6.855718 50.24329 8.269900 -12.10390      10.74207 
1 1 1 25 7  30 o 20.82072 6.099465 2.638274       4.209620      1.475705       4.634692      3.800843       7.028550      18.32448 7.631537 23.31696 9.517013 -4.992481      12.19893 
1 1 1 25 7  31 o 35.66599 6.595151 15.65678       4.792676      13.14178       6.422824      18.17179       7.112856      32.73090 9.345909 38.60107 9.307958 -5.870167      13.19030 
1 1 1 25 7  32 o 41.72285 5.878175 20.93475       4.765755      25.58219       6.413614      16.29439       7.050512      47.86990 6.699005 35.57580 9.661009 12.29410       11.75635 
1 1 1 25 7  33 o 67.59523 3.729219 49.04612       5.048427      47.04828       6.705496      51.03687       7.552096      66.41221 5.048391 68.77826 5.490177 -2.366051      7.458438 
1 1 1 25 7  34 o 20.53291 5.848169 3.207161       3.915613      6.815306       5.489084      -0.4007712     5.584725      23.84335 8.765470 17.22247 7.744086 6.620876       11.69634 
1 1 1 25 7  35 o 54.87904 4.275907 34.38116       4.688534      34.57953       6.338518      34.18988       6.910948      55.39169 5.721543 54.36640 6.355899 1.025291       8.551813 
1 1 1 25 7  36 o 27.75711 6.599015 11.76030       4.531966      13.30472       5.695952      10.22296       7.049803      30.20570 8.858938 25.30851 9.783006 4.897194       13.19803 
1 1 1 25 8  0  o 32.04844 11.32872 13.59519       6.585768      13.59519       6.585768      13.59519       6.585768      32.04844 11.32872 32.04844 11.32872 0.000000       0.000000 
1 1 1 25 8  1  o 98.17728 4.921344 96.77451       9.663282      96.77451       9.663282      ?              ?             98.17728 4.921344 ?        ?        ?              ?        
1 1 1 25 8  2  o 145.9468 2.947483 213.6691       8.607689      215.6527       13.28347      211.6145       10.95975      146.5979 4.530581 145.2957 3.771532 1.302124       5.894965 
1 1 1 25 8  3  o 49.90198 4.951579 25.61053       4.969081      32.70922       7.856731      18.51893       6.089851      56.95754 6.897007 42.84641 7.106606 14.11113       9.903158 
1 1 1 25 8  4  o 144.6050 2.933251 209.8434       8.451830      201.1295       12.71671      218.5574       11.14395      141.5627 4.491546 147.6473 3.773841 -6.084564      5.866503 
1 1 1 25 8  5  o 22.45944 6.222654 2.714079       4.265588      -1.154776      5.074640      6.582934       6.858521      17.42950 7.635250 27.48938 9.827952 -10.05988      12.44531 
1 1 1 25 8  6  o 51.61230 4.641816 26.88575       4.812513      25.65304       6.008380      28.11137       7.516674      50.47081 5.952331 52.75380 7.124296 -2.282990      9.283632 
1 1 1 25 8  7  o 79.52901 3.541780 63.71815       5.556387      69.77541       6.968331      57.66798       8.657280      83.37864 4.178727 75.67939 5.719708 7.699249       7.083560 
1 1 1 25 8  8  f 119.4454 3.006222 143.3198       7.219123      136.8020       8.742295      149.8376       11.49109      116.7815 3.743014 122.1094 4.705245 -5.327873      6.012444 
1 1 1 25 8  9  o 101.8694 3.046730 104.4966       6.296719      94.50746       7.071766      114.4150       10.42133      97.06671 3.642735 106.6722 4.884745 -9.605446      6.093460 
1 1 1 25 8  10 o 120.6993 2.959948 146.3661       7.190785      141.1944       8.040927      151.4670       11.91616      118.6656 3.388063 122.7330 4.854504 -4.067474      5.919897 
1 1 1 25 8  11 o 50.54172 4.713635 26.38983       4.885483      18.71021       5.441618      34.06945       8.118857      43.05123 6.319933 58.03220 6.995131 -14.98098      9.427271 
1 1 1 25 8  12 o 96.30783 4.306554 93.94070       8.055097      104.4966       8.636027      83.31393       13.59519      101.9898 4.233772 90.62589 7.500721 11.36388       8.613108 
1 1 1 25 8  13 o 35.75544 6.216142 13.58811       4.578016      11.96575       4.640359      15.20337       7.892153      33.72390 7.102853 37.78699 10.20349 -4.063087      12.43228 
1 1 1 25 8  14 o 24.98519 6.559895 4.859979       4.541884      5.311263       4.789134      4.408695       7.722124      23.89655 8.244457 26.07383 10.20577 -2.177279      13.11979 
1 1 1 25 8  15 o 35.53882 6.274735 13.17720       4.643901      14.01318       4.787009      12.34123       7.955913      36.61832 6.791114 34.45931 10.55320 2.159008       12.54947 
1 1 1 25 8  16 o 16.29240 5.411468 -5.345977      4.451911      -4.750877      4.595018      -5.940369      7.622942      13.86211 6.503977 18.72269 8.650677 -4.860580      10.82294 
1 1 1 25 8  17 o 185.3032 3.100337 345.7245       11.50526      341.1195       14.49492      350.3294       17.86716      184.1908 3.934758 186.4156 4.792290 -2.224808      6.200675 
1 1 1 25 8  18 o 29.38092 6.785874 8.657280       4.772131      7.601687       4.808971      9.712874       8.246379      27.12241 8.184573 31.63943 10.82613 -4.517019      13.57175 
1 1 1 25 8  19 o 207.0870 3.865199 433.8559       15.91183      438.1775       13.10636      429.6051       29.00401      208.9208 3.136681 205.2531 7.065428 3.667755       7.730397 
1 1 1 25 8  20 f 134.1346 3.040944 181.2220       8.125941      183.7015       8.586436      178.8132       13.80064      135.2637 3.173961 133.0055 5.187998 2.258240       6.081887 
1 1 1 25 8  21 o 60.53209 11.96567 40.41718       13.97067      40.41718       13.97067      ?              ?             60.53209 11.96567 ?        ?        ?              ?        
1 1 1 25 8  22 f 138.5902 3.083971 194.1866       8.465999      201.6962       9.209873      186.6770       14.21154      141.5977 3.252126 135.5827 5.240913 6.015015       6.167941 
1 1 1 25 8  23 o 98.06448 3.257740 97.41212       6.484459      90.04422       6.739501      104.8509       11.08019      94.56138 3.563560 101.5676 5.454588 -7.006195      6.515481 
1 1 1 25 8  24 o 92.67594 3.410717 87.49380       6.111105      99.18325       6.787676      75.80434       10.16628      99.22588 3.420316 86.12600 5.901983 13.09988       6.821434 
1 1 1 25 8  25 o 98.35928 3.353288 98.33311       6.641027      93.23225       7.757547      103.5048       10.78264      96.00158 4.040323 100.7170 5.352939 -4.715401      6.706576 
1 1 1 25 8  26 o 65.16336 4.012018 43.82483       5.350228      38.02969       5.608813      49.61996       9.110690      61.13125 4.587517 69.19547 6.583299 -8.064220      8.024035 
1 1 1 25 8  27 o 69.34029 4.078904 49.69081       5.642110      49.77583       6.399445      49.59871       9.294888      69.81693 4.583018 68.86365 6.748762 0.9532776      8.157808 
1 1 1 25 8  28 o 56.70303 4.994242 34.70705       5.029299      43.81774       5.676116      25.59636       8.303054      65.51816 4.331712 47.88791 9.000339 17.63025       9.988484 
1 1 1 25 8  29 o 116.4848 2.963466 138.7857       6.959831      131.9846       7.396237      145.6577       11.79572      114.1258 3.240387 118.8437 4.962702 -4.717918      5.926932 
1 1 1 25 8  30 o 35.90998 5.949282 14.35323       4.570222      20.18379       5.367230      8.522675       7.396237      43.69464 6.141749 28.12532 10.19091 15.56932       11.89856 
1 1 1 25 8  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 8  32 o 51.56725 5.338962 29.92500       5.536551      27.74297       6.750837      32.09995       8.777717      50.27952 6.713308 52.85498 8.303586 -2.575462      10.67792 
1 1 1 25 8  33 o 21.68855 6.134360 4.282591       4.036758      4.458995       5.501836      4.106186       5.909196      21.70675 8.580322 21.67034 8.769239 0.3640938E-01  12.26872 
1 1 1 25 8  34 o 37.84581 5.735034 17.81756       4.219539      15.87640       5.778132      19.75164       6.150070      35.56030 8.272797 40.13133 7.945019 -4.571030      11.47007 
1 1 1 25 8  35 o 34.91515 6.388623 16.74780       4.534091      16.76905       5.818514      16.72655       6.955580      35.82014 8.281082 34.01015 9.730451 1.809994       12.77725 
1 1 1 25 9  0  o 229.0576 4.848316 526.5214       22.18871      526.5214       22.18871      526.5214       22.18871      229.0576 4.848316 229.0576 4.848316 0.000000       0.000000 
1 1 1 25 9  1  o 71.20630 4.212087 51.05103       5.999878      49.49952       8.317224      52.60254       8.650196      70.12611 5.930191 72.28649 5.983273 -2.160378      8.424174 
1 1 1 25 9  2  o 27.29699 6.498198 5.184450       4.893985      -2.534132      6.845061      12.90091       6.996669      19.53201 8.683358 35.06197 9.669828 -15.52996      12.99640 
1 1 1 25 9  3  o 159.1256 3.220988 254.6884       10.25130      276.2962       14.91999      233.0806       14.05568      165.8960 4.496790 152.3552 4.612801 13.54085       6.441976 
1 1 1 25 9  4  o 141.2047 3.202038 200.2085       9.039845      199.5708       12.58919      200.8461       12.98592      140.9879 4.464634 141.4214 4.591214 -0.4335175     6.404077 
1 1 1 25 9  5  o 33.38727 6.391891 11.48400       4.597852      6.905988       6.748711      16.05352       6.246420      27.71065 9.764754 39.06389 8.250734 -11.35324      12.78378 
1 1 1 25 9  6  o 67.82497 3.625839 46.31858       4.915947      43.04553       6.820265      49.59871       7.080976      65.41673 5.212936 70.23321 5.041046 -4.816475      7.251679 
1 1 1 25 9  7  o 64.45247 4.400771 41.98994       5.731375      38.33433       6.800429      45.63847       9.224042      61.70412 5.510514 67.20081 6.863043 -5.496689      8.801541 
1 1 1 25 9  8  o 26.89054 6.305357 7.083809       3.997793      5.284342       4.978291      8.883986       6.256337      24.09219 8.396634 29.68889 9.408858 -5.596695      12.61071 
1 1 1 25 9  9  o 125.7027 2.610957 158.6224       6.587893      152.0338       8.366816      165.1401       10.17337      123.1352 3.397411 128.2702 3.965601 -5.135010      5.221914 
1 1 1 25 9  10 o 43.43287 4.929880 19.36199       4.177032      19.60995       5.432408      19.11403       6.346311      44.08438 6.161376 42.78136 7.697553 1.303020       9.859760 
1 1 1 25 9  11 o 189.7653 2.562053 361.3104       9.719957      361.9480       12.70254      360.6728       14.72163      189.9797 3.343132 189.5510 3.883290 0.4286957      5.124107 
1 1 1 25 9  12 o 33.01645 6.450340 11.34231       4.630441      10.86765       4.539051      11.81698       8.069265      32.10467 7.241397 33.92823 10.67660 -1.823563      12.90068 
1 1 1 25 9  13 f 83.27820 3.441022 69.83917       5.727833      69.78958       6.166365      69.89585       9.656199      83.37006 3.698189 83.18633 5.803957 0.1837311      6.882043 
1 1 1 25 9  14 o 129.7630 3.244689 170.0284       8.324308      189.7942       11.10852      150.1918       12.39791      137.4358 4.041352 122.0903 5.077353 15.34550       6.489378 
1 1 1 25 9  15 f 56.55506 4.358618 32.39750       4.993168      30.41383       5.006629      34.38116       8.643111      54.97184 4.553813 58.13828 7.433237 -3.166443      8.717237 
1 1 1 25 9  16 o 168.2507 2.809554 284.6559       9.457831      283.5224       10.00334      285.8603       16.05352      168.1139 2.975167 168.3875 4.766838 -0.2735901     5.619107 
1 1 1 25 9  17 f 59.61726 4.486996 36.02477       5.331808      36.44984       6.040260      35.59970       8.791886      60.11819 5.023654 59.11634 7.436090 1.001850       8.973991 
1 1 1 25 9  18 o 36.81806 6.351189 14.70037       4.784175      11.51234       5.058346      17.89549       8.125941      32.90335 7.796214 40.73277 10.02843 -7.829414      12.70238 
1 1 1 25 9  19 o 58.07412 5.323667 35.67764       5.413280      46.38942       5.955954      24.95876       9.039845      67.85472 4.388754 48.29353 9.700750 19.56120       10.64733 
1 1 1 25 9  20 o 115.1746 3.354268 133.9682       7.707955      134.5350       7.962997      133.4015       13.20554      115.6868 3.441619 114.6624 5.758446 1.024429       6.708535 
1 1 1 25 9  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 9  22 o 110.6684 3.321985 123.9791       7.346645      124.2624       8.218040      123.6248       12.17120      111.0602 3.699815 110.2766 5.518487 0.7835312      6.643970 
1 1 1 25 9  23 o 50.67299 5.218460 26.84324       5.044885      28.09011       5.372190      25.59636       8.543928      52.60342 5.106312 48.74255 9.102466 3.860878       10.43692 
1 1 1 25 9  24 o 83.54623 3.483903 71.48279       6.006963      59.18407       6.119606      83.80984       10.33631      76.52387 3.998495 90.56858 5.706345 -14.04471      6.967807 
1 1 1 25 9  25 o 50.89539 4.800506 26.95659       5.015130      23.08844       5.114314      30.82474       8.628942      47.53886 5.379087 54.25191 7.952663 -6.713043      9.601011 
1 1 1 25 9  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 9  27 o 74.95790 3.782300 57.80967       5.529466      63.21515       6.058680      52.39709       9.252379      78.95514 3.836786 70.96066 6.519373 7.994484       7.564599 
1 1 1 25 9  28 o 41.77315 5.827157 19.12820       4.726081      21.21105       5.221998      17.03827       7.877984      45.19109 5.777686 38.35520 10.12133 6.835888       11.65431 
1 1 1 25 9  29 o 20.96939 6.037312 1.747751       4.296052      4.534091       4.895402      -1.038590      7.060431      22.11690 8.251413 19.82189 8.815368 2.295013       12.07462 
1 1 1 25 9  30 o 47.39404 5.499991 24.71080       5.078891      23.72605       5.651320      25.69555       8.437660      47.51057 5.947435 47.27752 9.253520 0.2330513      10.99998 
1 1 1 25 9  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 9  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 9  33 o 39.64212 6.302160 19.69496       4.891151      20.32548       7.367898      19.07152       6.436993      39.84192 9.389289 39.44233 8.408933 0.3995895      12.60432 
1 1 1 25 9  34 o 24.43647 6.505753 7.573349       4.429241      7.722124       7.148279      7.417490       5.232625      24.67752 9.772155 24.19541 8.590940 0.4821072      13.01151 
1 1 1 25 9  35 o 48.62718 5.144131 29.05361       4.996710      28.81982       7.339560      29.28740       6.779883      47.94706 7.653817 49.30731 6.875130 -1.360249      10.28826 
1 1 1 25 10 0  o 18.14345 10.85500 3.707328       6.854271      3.707328       6.854271      3.707328       6.854271      18.14345 10.85500 18.14345 10.85500 0.000000       0.000000 
1 1 1 25 10 1  o 83.50003 3.892041 70.15089       6.498628      69.27242       9.075267      71.05771       9.309056      82.97220 5.468860 84.02785 5.539268 -1.055656      7.784081 
1 1 1 25 10 2  o 201.2351 3.018537 406.5096       12.14995      405.8012       15.32381      407.2181       18.85899      201.1381 3.809277 201.3321 4.683553 -0.1940002     6.037074 
1 1 1 25 10 3  o 112.7204 3.028457 127.5922       6.787676      131.9137       7.991336      123.2706       10.97392      114.7046 3.483442 110.7362 4.954981 3.968361       6.056914 
1 1 1 25 10 4  o 38.69893 5.924156 15.51509       4.555345      19.33365       5.525216      11.70362       7.247461      43.77921 6.310320 33.61866 10.02808 10.16055       11.84831 
1 1 1 25 10 5  o 128.6704 2.880670 166.4862       7.516674      152.3880       8.331393      180.5844       12.51126      123.2872 3.378855 134.0536 4.666515 -10.76633      5.761339 
1 1 1 25 10 6  o 19.38060 5.861781 -0.6382442     4.191200      -4.760087      4.921615      3.483457       6.784843      14.56705 6.814676 24.19416 9.539502 -9.627117      11.72356 
1 1 1 25 10 7  o 98.92339 3.185376 98.47480       6.384568      90.89436       7.034926      106.0552       10.65512      95.18660 3.695335 102.6602 5.189507 -7.473579      6.370752 
1 1 1 25 10 8  o 136.3645 2.571665 186.6770       7.051221      175.2001       8.813140      198.2248       11.00934      132.1904 3.333503 140.5387 3.916835 -8.348358      5.143330 
1 1 1 25 10 9  o 140.7582 2.567563 198.7916       7.226208      199.1458       9.372816      198.3665       11.00226      140.9320 3.325298 140.5844 3.913044 0.3476410      5.135126 
1 1 1 25 10 10 o 25.02876 6.194814 5.144777       4.022589      7.785885       5.155404      2.500126       6.176991      27.62479 8.502284 22.43272 9.011883 5.192072       12.38963 
1 1 1 25 10 11 o 98.68507 2.976173 97.97889       5.832684      104.4258       7.580434      91.53197       8.869816      101.9895 3.716280 95.38059 4.649697 6.608955       5.952345 
1 1 1 25 10 12 o 262.1835 2.867567 690.7405       15.04043      689.9612       19.68787      691.5906       22.73422      262.1201 3.755507 262.2470 4.334505 -0.1268921     5.735134 
1 1 1 25 10 13 o 114.6558 2.768439 132.0554       6.351979      131.4178       8.175533      132.6930       9.719957      114.4222 3.572529 114.8894 4.230138 -0.4671478     5.536879 
1 1 1 25 10 14 o 115.6091 2.987190 134.7475       6.914490      148.8457       10.24421      120.6493       9.287803      121.6758 4.209633 109.5424 4.239365 12.13345       5.974381 
1 1 1 25 10 15 o 98.91396 2.921340 98.40395       5.768215      100.3168       7.374983      96.56198       8.869816      99.91735 3.690542 97.91057 4.529550 2.006783       5.842681 
1 1 1 25 10 16 o 74.52362 4.174588 57.17206       5.824182      72.40377       6.977541      41.96160       9.330310      84.84578 4.111897 64.20146 7.266431 20.64432       8.349175 
1 1 1 25 10 17 o 20.62766 6.020685 -0.1677614     4.386024      -5.931867      5.553554      5.596061       6.790511      15.09940 7.099057 26.15592 9.726149 -11.05652      12.04137 
1 1 1 25 10 18 o 193.5321 2.736206 376.9672       10.62678      359.4684       13.52434      394.4659       16.40066      189.1208 3.575584 197.9435 4.142763 -8.822723      5.472411 
1 1 1 25 10 19 o 108.5763 3.050536 118.9491       6.585768      126.8837       8.721042      110.9436       9.868733      112.2968 3.883032 104.8558 4.705862 7.441040       6.101072 
1 1 1 25 10 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 10 21 o 238.7963 2.917103 575.6879       13.93525      574.8378       18.14345      576.5381       21.14729      238.7918 3.799010 238.8008 4.427809 -0.8987427E-02 5.834207 
1 1 1 25 10 22 o 103.0199 3.259105 107.5430       6.726750      99.04156       9.011506      116.0444       9.989170      98.95588 4.553295 107.0839 4.664181 -8.127991      6.518211 
1 1 1 25 10 23 o 26.13869 6.643407 6.317973       4.461830      5.948161       5.603854      6.687785       6.944952      25.15510 8.894609 27.12228 9.870428 -1.967180      13.28681 
1 1 1 25 10 24 o 71.80786 3.657216 52.55295       5.268756      50.80308       6.592144      54.30283       8.218040      70.73713 4.659607 72.87859 5.638172 -2.141464      7.314433 
1 1 1 25 10 25 o 59.78853 4.136580 36.91742       4.981124      31.91575       6.286093      41.91909       7.729208      55.77782 5.634939 63.79923 6.057446 -8.021412      8.273161 
1 1 1 25 10 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 10 27 o 39.54564 5.754628 17.80339       4.593602      9.301972       5.817098      26.30482       7.112856      29.11071 9.046043 49.98057 7.115621 -20.86986      11.50926 
1 1 1 25 10 28 o 110.7059 2.920222 125.3251       6.412906      138.2898       8.713958      112.4313       9.408240      116.6301 3.735725 104.7817 4.489447 11.84834       5.840444 
1 1 1 25 10 29 o 32.08946 6.483919 12.03660       4.380357      11.45567       5.751920      12.62461       6.608438      31.44025 8.801990 32.73868 9.523120 -1.298429      12.96784 
1 1 1 25 10 30 o 31.50278 8.178418 13.97067       7.026425      21.85574       11.79572      6.090560       7.644195      38.23336 12.94805 24.77219 9.994701 13.46117       16.35684 
1 1 1 25 10 31 o 35.43571 6.570482 15.84098       4.779216      18.42683       6.572307      13.25513       6.940702      38.85686 8.678437 32.01456 9.867607 6.842293       13.14096 
1 1 1 25 10 32 f 24.10994 6.542367 5.720040       4.692076      1.986499       6.881900      9.450747       6.380316      20.72252 8.983853 27.49735 9.513182 -6.774830      13.08473 
1 1 1 25 10 33 o 22.65397 6.525661 5.003795       4.752295      3.929782       7.360813      6.077808       6.016881      22.10371 9.429102 23.20423 9.023806 -1.100517      13.05132 
1 1 1 25 10 34 o 23.07859 6.465306 6.268381       4.567389      4.544718       6.940702      7.991336       5.938951      21.60116 9.183561 24.55603 9.102908 -2.954870      12.93061 
1 1 1 25 10 35 o 19.13546 5.924020 2.203285       4.521339      7.282885       6.796178      -2.874189      5.964456      22.85913 9.348944 15.41178 7.278277 7.447346       11.84804 
1 1 1 25 11 0  o 207.7843 3.397948 432.6515       14.11236      432.6515       14.11236      432.6515       14.11236      207.7843 3.397948 207.7843 3.397948 0.000000       0.000000 
1 1 1 25 11 1  o 223.5416 2.620621 501.3005       11.71071      503.9217       15.56469      498.6084       17.50584      224.1765 3.471525 222.9067 3.926719 1.269730       5.241242 
1 1 1 25 11 2  o 172.1476 2.499897 297.2664       8.621859      287.9857       11.22188      306.5471       13.09927      169.4899 3.310486 174.8054 3.746815 -5.315582      4.999794 
1 1 1 25 11 3  o 142.2045 2.521422 202.9006       7.190785      194.5409       9.287803      211.2603       10.98100      139.2999 3.333745 145.1091 3.783706 -5.809250      5.042845 
1 1 1 25 11 4  o 69.56467 3.429406 48.96819       4.685700      56.81783       6.280425      41.11854       6.955580      75.22532 4.174409 63.90403 5.442207 11.32129       6.858813 
1 1 1 25 11 5  f 176.2003 2.704074 311.5771       9.528677      307.6097       13.52434      315.4736       13.42516      175.0824 3.862280 177.3183 3.785611 -2.235931      5.408147 
1 1 1 25 11 6  o 223.3893 2.800296 501.0171       12.51126      518.2325       18.00884      483.8017       17.37832      227.2278 3.962729 219.5507 3.957701 7.677094       5.600591 
1 1 1 25 11 7  o 27.86241 6.048894 5.715789       4.512129      12.97884       5.509629      -1.550092      7.148279      35.07590 8.024220 20.64893 9.053638 14.42697       12.09779 
1 1 1 25 11 8  o 162.9938 2.870194 267.0863       9.457831      249.5167       10.51342      284.5851       15.72763      157.7447 3.332417 168.2430 4.674082 -10.49828      5.740387 
1 1 1 25 11 9  f 22.71886 6.084153 1.714453       4.346352      6.786260       5.151153      -3.357353      7.002337      26.23122 8.556457 19.20650 8.651863 7.024721       12.16831 
1 1 1 25 11 10 o 22.32169 6.390651 2.462578       4.477415      0.7991336      5.207120      4.126023       7.282885      19.31633 8.069668 25.32705 9.911718 -6.010715      12.78130 
1 1 1 25 11 11 o 94.17368 3.300949 89.26492       6.220206      88.98154       7.282885      89.54830       10.08127      94.11964 3.868951 94.22772 5.349418 -0.1080780     6.601897 
1 1 1 25 11 12 o 48.91187 4.781482 24.29281       4.614146      26.60237       5.839059      21.99034       7.148279      51.33324 5.687406 46.49049 7.687893 4.842754       9.562964 
1 1 1 25 11 13 o 80.81313 3.315967 65.77267       5.338184      68.53563       6.913073      63.00262       8.133026      82.56773 4.186305 79.05852 5.143675 3.509209       6.631933 
1 1 1 25 11 14 o 75.86029 3.458151 58.10013       5.207829      62.12413       6.773507      54.06904       7.913406      78.56326 4.310863 73.15733 5.408485 5.405922       6.916303 
1 1 1 25 11 15 o 89.91851 3.070760 81.47195       5.548594      76.08772       7.062556      86.85619       8.558097      86.98072 4.059840 92.85630 4.608248 -5.875580      6.141519 
1 1 1 25 11 16 o 26.22667 6.609521 6.206038       4.403736      5.506087       5.588976      6.906697       6.806805      24.87020 8.873812 27.58314 9.797884 -2.712942      13.21904 
1 1 1 25 11 17 o 102.5221 3.011283 105.8427       6.157863      108.6765       8.019674      103.0797       9.351563      103.9426 3.857742 101.1015 4.624838 2.841095       6.022566 
1 1 1 25 11 18 o 20.06676 6.410149 -3.992126      5.539385      0.9110689E-01  8.749379      -8.076350      6.793344      23.86285 10.23293 16.27066 7.723163 7.592188       12.82030 
1 1 1 25 11 19 f 26.69159 6.774360 5.015130       5.225540      -3.079640      6.449745      13.11344       8.225125      18.31719 8.274509 35.06598 10.72848 -16.74879      13.54872 
1 1 1 25 11 20 o 57.94743 10.71576 36.72614       11.95158      36.72614       11.95158      ?              ?             57.94743 10.71576 ?        ?        ?              ?        
1 1 1 25 11 21 o 93.31147 3.328477 88.20225       6.182659      92.52380       8.125941      83.80984       9.323226      95.72211 4.244548 90.90083 5.128241 4.821289       6.656954 
1 1 1 25 11 22 o 85.73778 3.304253 74.45828       5.669739      73.89152       7.410406      75.02505       8.579351      85.48766 4.334197 85.98789 4.988698 -0.5002365     6.608507 
1 1 1 25 11 23 o 75.98309 4.007352 59.21241       6.041677      51.63905       8.636027      66.78574       8.451830      70.98210 6.083243 80.98409 5.218204 -10.00199      8.014705 
1 1 1 25 11 24 o 60.63800 4.195562 37.85966       5.005920      42.40084       6.493669      33.31849       7.622942      64.50578 5.033401 56.77023 6.713854 7.735542       8.391125 
1 1 1 25 11 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 11 26 o 69.29109 3.763136 49.35784       5.181617      52.75841       6.879775      45.96435       7.750463      71.85219 4.787450 66.73000 5.807331 5.122192       7.526272 
1 1 1 25 11 27 o 17.72078 5.566166 -6.030342      4.665863      2.394567       5.532300      -14.45242      7.516674      20.72380 8.448517 14.71776 7.249234 6.006040       11.13233 
1 1 1 25 11 28 f 55.65552 4.259189 32.58170       4.704828      35.03294       6.245711      30.13754       7.037052      58.02025 5.382354 53.29079 6.602502 4.729454       8.518378 
1 1 1 25 11 29 o 87.25868 3.343515 78.70899       5.852520      74.03321       7.622942      83.31393       8.883986      84.81497 4.493865 89.70238 4.951922 -4.887413      6.687029 
1 1 1 25 11 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 11 31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 11 32 o 47.73870 4.936044 25.70263       4.720414      24.03068       6.335684      27.38166       6.999504      46.28500 6.844209 49.19240 7.114416 -2.907402      9.872087 
1 1 1 25 11 33 o 17.56151 5.692899 -1.292925      4.532674      -0.5088809     6.665114      -2.077889      6.143694      18.32830 8.329695 16.79473 7.762253 1.533569       11.38580 
1 1 1 25 11 34 o 37.94310 6.494572 19.85082       4.913113      18.15762       7.304138      21.54402       6.569473      35.22034 9.937794 40.66586 8.364098 -5.445515      12.98914 
1 1 1 25 12 0  f 241.8922 3.585139 586.3855       17.33581      586.3855       17.33581      586.3855       17.33581      241.8922 3.585139 241.8922 3.585139 0.000000       0.000000 
1 1 1 25 12 1  o 200.7461 2.410580 404.1009       9.677451      408.3516       13.78647      399.8502       13.58811      201.8009 3.415860 199.6914 3.402276 2.109497       4.821160 
1 1 1 25 12 2  o 54.42078 3.838655 29.82582       4.180574      30.54844       6.103312      29.10320       5.714372      55.07229 5.541183 53.76927 5.313790 1.303020       7.677309 
1 1 1 25 12 3  o 43.58715 4.474090 19.19196       3.894360      18.00884       5.511046      20.38216       5.503962      42.22564 6.525712 44.94866 6.122499 -2.723019      8.948179 
1 1 1 25 12 4  o 146.3506 2.511284 214.8734       7.346645      218.3448       9.840395      211.3312       10.90307      147.5710 3.334122 145.1303 3.756305 2.440750       5.022569 
1 1 1 25 12 5  o 105.6693 2.728650 112.1479       5.739877      119.7283       7.707955      104.6383       8.501422      109.2576 3.527423 102.0809 4.164061 7.176697       5.457300 
1 1 1 25 12 6  o 175.4220 2.544732 308.7433       8.940661      303.1465       11.55485      314.3401       13.64478      173.8733 3.322779 176.9707 3.855097 -3.097427      5.089463 
1 1 1 25 12 7  o 48.31520 4.559982 23.66229       4.362646      26.09937       5.817806      21.21813       6.502170      50.86957 5.718356 45.76083 7.104515 5.108734       9.119964 
1 1 1 25 12 8  o 110.5030 2.713110 122.6330       5.987126      125.6794       7.970083      119.5867       8.933578      111.9073 3.561019 109.0987 4.094265 2.808640       5.426220 
1 1 1 25 12 9  o 154.6209 2.535504 240.0235       7.828392      246.2578       10.47800      233.7891       11.63278      156.6674 3.344027 152.5744 3.812166 4.093033       5.071008 
1 1 1 25 12 10 o 76.62646 3.249593 59.14156       4.952078      62.81134       6.558846      55.47178       7.424574      79.05057 4.148513 74.20236 5.002923 4.848206       6.499185 
1 1 1 25 12 11 o 103.2021 2.892383 107.0471       5.980042      104.4258       7.835476      109.6683       9.032760      101.9681 3.842123 104.4361 4.324537 -2.468071      5.784767 
1 1 1 25 12 12 o 55.40031 4.176013 31.07270       4.647444      28.57895       5.977208      33.56644       7.119940      53.20160 5.617507 57.59901 6.180609 -4.397411      8.352025 
1 1 1 25 12 13 o 132.1968 2.871225 176.1211       7.587519      192.4863       11.10852      159.8267       10.35048      138.3460 4.014762 126.0477 4.105780 12.29829       5.742451 
1 1 1 25 12 14 o 60.22847 4.363381 36.76156       5.226249      37.86674       6.159280      35.64929       8.444746      61.26875 5.026445 59.18819 7.133809 2.080551       8.726762 
1 1 1 25 12 15 o 42.37918 5.838675 19.28406       4.748044      27.43834       6.162114      11.12269       7.226208      52.06290 5.917950 32.69545 10.06670 19.36745       11.67735 
1 1 1 25 12 16 o 131.7596 2.556704 174.6334       6.740210      166.4153       9.280719      182.7806       9.776634      128.6722 3.606342 134.8470 3.625083 -6.174866      5.113407 
1 1 1 25 12 17 o 44.18282 5.190859 20.31131       4.444827      22.90425       6.215247      17.71129       6.356230      47.46073 6.547779 40.90490 8.056468 6.555836       10.38172 
1 1 1 25 12 18 o 73.36539 4.596774 54.84834       6.733834      54.72081       11.03059      54.97586       7.729208      73.04059 7.551003 73.69020 5.244394 -0.6496124     9.193548 
1 1 1 25 12 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 12 20 o 83.31149 3.310653 70.27133       5.516006      68.03971       7.736294      72.47462       7.863815      81.98882 4.717895 84.63416 4.645769 -2.645332      6.621307 
1 1 1 25 12 21 o 65.80173 3.713635 44.06570       4.876983      40.01336       6.808930      48.11805       6.984626      62.73554 5.426692 68.86791 5.071032 -6.132370      7.427271 
1 1 1 25 12 22 o 43.39875 5.332877 20.07752       4.445535      24.68954       6.293177      15.46550       6.281133      49.04156 6.416167 37.75593 8.520041 11.28563       10.66575 
1 1 1 25 12 23 o 71.68810 3.431042 52.28374       4.913113      54.57204       6.870565      49.99545       7.025008      73.29754 4.686764 70.07867 5.012230 3.218872       6.862085 
1 1 1 25 12 24 o 94.96624 2.941630 91.53197       5.591102      87.98971       7.622942      95.07423       8.182618      93.15013 4.091750 96.78235 4.227330 -3.632217      5.883259 
1 1 1 25 12 25 o 81.80228 4.182210 69.37160       6.827350      74.38744       9.656199      64.38409       9.656199      84.85945 5.689525 78.74511 6.131300 6.114342       8.364421 
1 1 1 25 12 26 o 81.32478 3.220212 67.59338       5.238293      66.50237       7.204955      68.69149       7.608772      80.70059 4.464004 81.94897 4.642384 -1.248383      6.440424 
1 1 1 25 12 27 o 17.65745 5.560509 -1.602518      4.011962      -0.4598561E-01 5.642110      -3.158986      5.705162      18.70472 8.122135 16.61017 7.596575 2.094545       11.12102 
1 1 1 25 12 28 o 46.01023 4.990660 23.79690       4.319431      15.18212       5.793010      32.41875       6.408655      36.51337 8.142556 55.50709 5.772825 -18.99372      9.981319 
1 1 1 25 12 29 o 91.88538 3.240310 88.06055       5.950287      83.73900       8.345562      92.45296       8.487252      89.54758 4.659848 94.22316 4.503804 -4.675575      6.480619 
1 1 1 25 12 30 o 21.88953 6.130984 3.835558       4.376107      -1.404151      6.140152      9.075267       6.236501      17.28700 7.895593 26.49206 9.381656 -9.205063      12.26197 
1 1 1 25 12 31 o 37.89503 5.964808 17.62628       4.420739      20.08461       6.462497      15.17504       6.033175      40.82328 8.203874 34.96677 8.660959 5.856518       11.92962 
1 1 1 25 12 32 o 20.97637 6.074193 3.649235       4.138067      5.382108       5.609521      1.915654       6.085601      22.36842 8.710064 19.58431 8.468655 2.784109       12.14839 
1 1 1 25 12 33 o 29.90277 6.594277 12.58919       4.794094      19.74455       7.339560      5.438076       6.172032      37.70689 9.683100 22.09865 8.954081 15.60824       13.18855 
1 1 1 25 12 34 o 24.91578 6.089822 6.410071       4.766464      -4.029674      6.789093      16.84698       6.692744      15.95710 7.624156 33.87445 9.498209 -17.91735      12.17964 
1 1 1 25 13 0  o 43.31639 7.204769 20.12003       5.788051      20.12003       5.788051      20.12003       5.788051      43.31639 7.204769 43.31639 7.204769 0.000000       0.000000 
1 1 1 25 13 1  o 116.4890 2.484726 136.2353       5.790176      143.3198       8.380984      129.0799       7.991336      119.5367 3.505612 113.4413 3.522233 6.095360       4.969451 
1 1 1 25 13 2  f 104.3062 2.589934 109.2433       5.398402      113.8482       7.672533      104.5675       7.601687      106.5290 3.601148 102.0834 3.723273 4.445580       5.179867 
1 1 1 25 13 3  o 33.39658 5.750831 11.79572       3.812179      10.98809       5.266631      12.60336       5.513172      32.25580 8.154843 34.53735 8.110902 -2.281551      11.50166 
1 1 1 25 13 4  o 113.1221 2.519155 128.3715       5.698077      131.4178       8.062181      125.3960       8.055097      114.4528 3.522055 111.7915 3.602733 2.661331       5.038310 
1 1 1 25 13 5  o 131.2195 2.408870 172.7914       6.322932      168.4698       8.806056      177.0421       9.075267      129.5926 3.397593 132.8465 3.415697 -3.253906      4.817740 
1 1 1 25 13 6  o 130.8260 2.473943 171.9413       6.482334      160.5352       8.770633      183.3473       9.542846      126.4860 3.467037 135.1660 3.530046 -8.680023      4.947886 
1 1 1 25 13 7  o 39.04121 5.328467 16.60611       4.076432      8.324308       5.428866      24.88791       6.082767      28.46902 8.717300 49.61341 6.130164 -21.14438      10.65693 
1 1 1 25 13 8  o 100.1638 2.857726 100.8835       5.734209      97.41212       7.594603      104.2841       8.593520      98.47878 3.855959 101.8488 4.218764 -3.370003      5.715452 
1 1 1 25 13 9  o 56.49295 3.989130 32.22039       4.515672      31.17188       5.920532      33.27598       6.819557      55.59927 5.324289 57.38662 5.941765 -1.787346      7.978260 
1 1 1 25 13 10 o 131.6599 2.649687 174.0666       6.982501      172.3663       9.131943      175.7669       10.56302      131.0537 3.484046 132.2661 3.993092 -1.212418      5.299374 
1 1 1 25 13 11 o 124.5796 2.699703 155.9302       6.726042      156.0011       8.954830      155.8594       10.03876      124.6413 3.592240 124.5178 4.031054 0.1234894      5.399405 
1 1 1 25 13 12 o 73.18246 3.460824 54.01945       5.068264      53.40310       6.830184      54.63580       7.488335      72.79026 4.691688 73.57467 5.088936 -0.7844086     6.921648 
1 1 1 25 13 13 o 76.98759 3.498829 59.83583       5.399111      55.70557       7.176617      63.97319       8.069265      74.34064 4.826846 79.63454 5.066436 -5.293900      6.997658 
1 1 1 25 13 14 o 124.5894 2.771645 156.1428       6.917324      151.3961       9.046929      160.8186       10.47092      122.7481 3.685161 126.4307 4.140973 -3.682564      5.543290 
1 1 1 25 13 15 o 51.88474 6.714895 28.44434       6.600646      32.75881       6.497920      24.12987       11.49109      56.87003 5.712957 46.89945 12.15407 9.970573       13.42979 
1 1 1 25 13 16 o 85.66883 3.337007 74.03321       5.714372      74.74166       7.580434      73.32476       8.551013      86.12708 4.400726 85.21059 5.017577 0.9164886      6.674014 
1 1 1 25 13 17 o 58.16035 4.502522 34.50160       5.263797      31.41275       6.765715      37.59045       8.062181      55.59584 6.084731 60.72486 6.638287 -5.129025      9.005043 
1 1 1 25 13 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 13 19 o 31.47525 6.767282 10.35756       4.787717      13.80064       6.767839      6.908113       6.773507      35.64099 9.370130 27.30951 9.766531 8.331478       13.53456 
1 1 1 25 13 20 o 26.57968 6.644326 6.635359       4.422156      6.423533       6.234376      6.846478       6.273340      26.32539 9.374265 26.83397 9.418674 -0.5085850     13.28865 
1 1 1 25 13 21 o 66.51489 3.679102 45.10712       4.875566      49.78999       6.918032      40.42426       6.871982      70.03133 4.939240 62.99845 5.454088 7.032883       7.358204 
1 1 1 25 13 22 o 71.71407 3.439456 52.35459       4.926574      56.53445       7.062556      48.18181       6.870565      74.60962 4.733006 68.81851 4.991800 5.791107       6.878911 
1 1 1 25 13 23 o 77.76387 3.492795 62.00370       5.365814      52.22707       7.686701      71.76617       7.495420      71.46405 5.378020 84.06368 4.458180 -12.59963      6.985590 
1 1 1 25 13 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 13 25 o 64.68611 3.678933 42.98885       4.748044      46.15564       6.692035      39.82207       6.737377      67.13958 4.983674 62.23264 5.413057 4.906940       7.357866 
1 1 1 25 13 26 o 47.31123 4.974987 24.44867       4.420031      31.78823       6.308763      17.11619       6.192576      55.35049 5.698923 39.27197 8.156240 16.07852       9.949974 
1 1 1 25 13 27 o 28.72928 6.252315 9.139028       4.118939      12.36957       5.666906      5.903528       5.978625      32.86090 8.544215 24.59766 9.130286 8.263243       12.50463 
1 1 1 25 13 28 o 22.32488 5.988116 2.483832       4.239376      -4.205369      5.834100      9.174451       6.152195      16.08066 7.482604 28.56909 9.350976 -12.48843      11.97623 
1 1 1 25 13 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 13 30 o 33.35695 14.24514 15.47967       16.83282      15.47967       16.83282      ?              ?             33.35695 14.24514 ?        ?        ?              ?        
1 1 1 25 13 31 o 16.08679 5.165185 -4.150110      3.957411      -10.51342      5.669031      2.214620       5.522382      12.63039 6.224480 19.54320 8.244537 -6.912811      10.33037 
1 1 1 25 13 32 o 28.24151 6.346710 10.46383       4.027548      10.99517       5.944619      9.932493       5.436659      28.80295 9.175899 27.68008 8.770737 1.122866       12.69342 
1 1 1 25 13 33 o 37.13383 5.631983 17.96634       4.211746      11.41316       5.934701      24.51952       5.977916      28.50389 9.177110 45.76377 6.531277 -17.25988      11.26397 
1 1 1 25 14 0  o 233.5253 3.580163 546.7122       16.71238      546.7122       16.71238      546.7122       16.71238      233.5253 3.580163 233.5253 3.580163 0.000000       0.000000 
1 1 1 25 14 1  f 153.9064 2.388323 237.6856       7.353730      234.3559       10.34340      240.9445       10.44966      152.8387 3.383762 154.9741 3.371423 -2.135361      4.776645 
1 1 1 25 14 2  o 63.84065 3.449907 41.09729       4.397360      37.95884       6.176282      44.22865       6.261296      61.38837 5.030499 66.29293 4.722447 -4.904564      6.899814 
1 1 1 25 14 3  o 60.64532 3.517564 37.27165       4.250002      31.43401       5.797261      43.10929       6.215956      55.84747 5.190262 65.44317 4.749125 -9.595699      7.035127 
1 1 1 25 14 4  o 69.05280 3.391422 48.45811       4.631149      57.81675       6.656613      39.09945       6.441244      75.82169 4.389649 62.28390 5.170874 13.53779       6.782843 
1 1 1 25 14 5  o 98.35658 2.656903 97.19958       5.230500      92.73634       7.148279      101.6628       7.637110      96.10138 3.719134 100.6118 3.795336 -4.510391      5.313806 
1 1 1 25 14 6  o 65.99498 3.384557 43.86025       4.464664      45.12130       6.255630      42.59921       6.371816      66.95454 4.671550 65.03542 4.898727 1.919113       6.769114 
1 1 1 25 14 7  o 96.32610 2.761416 93.23225       5.316930      98.12057       7.615856      88.41478       7.424574      98.83958 3.852635 93.81261 3.957130 5.026970       5.522832 
1 1 1 25 14 8  o 51.30878 4.214560 26.94242       4.269130      33.01385       6.214540      20.87099       5.853937      57.20974 5.431365 45.40783 6.445956 11.80191       8.429120 
1 1 1 25 14 9  o 22.63701 6.185147 3.394193       4.005587      2.145900       5.630066      4.643193       5.698077      21.25913 8.577419 24.01489 8.913589 -2.755764      12.37029 
1 1 1 25 14 10 o 78.73553 3.311238 62.49253       5.200036      65.16339       7.030676      59.82166       7.665448      80.45737 4.369193 77.01370 4.976678 3.443665       6.622475 
1 1 1 25 14 11 o 82.87479 3.248355 69.20157       5.377857      70.28550       7.119940      68.11765       8.062181      83.56712 4.260013 82.18245 4.905051 1.384674       6.496709 
1 1 1 25 14 12 o 66.02808 3.806676 44.07278       5.034966      41.24606       6.777758      46.89242       7.445828      63.92058 5.301703 68.13558 5.463980 -4.215004      7.613352 
1 1 1 25 14 13 o 143.3063 2.716062 206.5137       7.785885      205.9469       10.23004      207.0096       11.73905      143.1739 3.572594 143.4386 4.092010 -0.2647400     5.432125 
1 1 1 25 14 14 o 51.89658 4.610540 27.46668       4.802595      24.49826       6.284676      30.43509       7.261631      49.09968 6.399915 54.69349 6.638479 -5.593807      9.221080 
1 1 1 25 14 15 o 61.00664 4.888557 38.99319       6.150779      26.29065       6.645986      51.69573       10.35048      50.84940 6.534970 71.16388 7.272285 -20.31448      9.777115 
1 1 1 25 14 16 o 112.4191 3.075576 128.0881       6.957705      109.9517       8.841478      146.2244       10.74721      104.4446 4.232618 120.3936 4.463364 -15.94907      6.151152 
1 1 1 25 14 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 14 18 o 35.08377 6.963382 13.36140       5.091643      13.40391       6.909530      13.31181       7.481250      35.12871 9.574796 35.03883 10.11326 0.8988190E-01  13.92676 
1 1 1 25 14 19 o 102.0494 3.317440 105.7010       6.762172      95.00338       9.309056      116.3278       9.812057      96.85770 4.805533 107.2411 4.574766 -10.38340      6.634880 
1 1 1 25 14 20 o 62.62473 4.177073 40.10546       5.202870      43.15180       7.042719      37.05911       7.658363      65.11202 5.408156 60.13743 6.367385 4.974590       8.354145 
1 1 1 25 14 21 o 20.29373 5.972333 -2.060886      4.624773      5.219164       6.068598      -9.337394      6.979667      24.68998 9.191916 15.89749 7.627825 8.792489       11.94467 
1 1 1 25 14 22 o 54.70209 4.272041 30.75389       4.673656      30.14462       6.564514      31.35607       6.654488      54.15868 6.060445 55.24549 6.022653 -1.086803      8.544083 
1 1 1 25 14 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 14 24 o 19.69936 5.903321 0.6105437      4.086349      2.383232       5.761838      -1.161861      5.796553      21.15612 8.622925 18.24259 8.064860 2.913532       11.80664 
1 1 1 25 14 25 o 21.94688 5.993439 2.789883       4.044551      7.240376       5.795844      -1.662736      5.642818      26.37094 9.072422 17.52283 7.834308 8.848101       11.98688 
1 1 1 25 14 26 o 80.54753 3.189081 66.70074       5.119273      73.11222       7.254546      60.30341       7.226208      84.51902 4.291665 76.57605 4.718321 7.942970       6.378162 
1 1 1 25 14 27 o 38.29869 5.810909 16.69112       4.320848      17.94508       6.106854      15.43008       6.114647      39.93052 7.928589 36.66687 8.497301 3.263649       11.62182 
1 1 1 25 14 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 14 29 o 50.69437 4.735753 28.57186       4.800469      28.34516       6.852146      28.79856       6.726042      50.41817 6.795314 50.97058 6.597964 -0.5524178     9.471506 
1 1 1 25 14 30 o 18.58671 5.708770 0.3706619      4.089892      -2.609228      5.936118      3.350268       5.628649      16.54573 7.640614 20.62769 8.484176 -4.081966      11.41754 
1 1 1 25 14 31 o 42.56945 5.107054 21.48734       4.145151      27.39583       5.966581      15.57885       5.755462      49.69722 6.002932 35.44167 8.263947 14.25555       10.21411 
1 1 1 25 14 32 o 64.80065 3.582721 45.99269       4.644610      47.14746       6.718248      44.83083       6.415740      65.55258 5.124320 64.04872 5.008483 1.503860       7.165442 
1 1 1 25 14 33 o 43.01334 5.107585 23.15929       4.230875      28.46559       6.195411      17.85299       5.763964      49.15995 6.301279 36.86673 8.040125 12.29322       10.21517 
1 1 1 25 15 0  o 84.74152 4.044680 72.47462       6.821682      72.47462       6.821682      72.47462       6.821682      84.74152 4.044680 84.74152 4.044680 0.000000       0.000000 
1 1 1 25 15 1  o 165.4242 2.403703 274.5959       7.955913      273.8166       11.24313      275.3752       11.25021      165.1889 3.403114 165.6596 3.395582 -0.4707336     4.807406 
1 1 1 25 15 2  o 56.24846 3.903943 32.29123       4.334308      39.13488       6.251379      25.44050       6.004838      62.32502 5.015144 50.17190 5.984264 12.15312       7.807886 
1 1 1 25 15 3  o 130.9054 2.682957 172.3663       7.068932      186.8896       11.00934      157.9139       8.869816      136.3789 4.036305 125.4318 3.535713 10.94714       5.365913 
1 1 1 25 15 4  o 147.8290 2.474566 219.4784       7.318307      229.7509       10.59844      209.1350       10.09544      151.3025 3.502401 144.3555 3.496728 6.947006       4.949133 
1 1 1 25 15 5  o 107.6447 2.661977 116.4695       5.731375      108.1806       7.899237      124.8292       8.303054      103.7893 3.805421 111.5001 3.723340 -7.710815      5.323954 
1 1 1 25 15 6  o 39.77813 5.241072 16.49276       4.063679      19.48242       5.853229      13.50309       5.638568      43.84723 6.674571 35.70904 8.082415 8.138191       10.48214 
1 1 1 25 15 7  o 98.38387 2.777589 97.27043       5.467831      97.19958       7.700871      97.34127       7.757547      98.34964 3.915048 98.41810 3.941118 -0.6845856E-01 5.555179 
1 1 1 25 15 8  o 148.4874 2.465298 221.3912       7.318307      218.6991       10.26547      224.1541       10.44258      147.5743 3.478067 149.4004 3.494829 -1.826141      4.930596 
1 1 1 25 15 9  o 64.00574 3.655153 41.45152       4.670114      37.52669       6.497211      45.37634       6.710455      60.94960 5.329987 67.06188 5.003181 -6.112278      7.310307 
1 1 1 25 15 10 o 93.09924 2.925972 87.28126       5.445160      92.02789       7.800055      82.46378       7.601687      95.66050 4.076946 90.53798 4.198066 5.122520       5.851944 
1 1 1 25 15 11 o 99.47656 2.886086 99.60831       5.739168      105.2759       8.210957      93.94070       8.019674      102.3185 4.012449 96.63462 4.149483 5.683891       5.772171 
1 1 1 25 15 12 o 21.79289 6.297939 -0.1001751     4.782758      -5.549303      7.226208      5.348811       6.270506      18.24511 8.427168 25.34067 9.361570 -7.095562      12.59588 
1 1 1 25 15 13 o 108.5137 3.014896 118.5948       6.542552      118.2406       8.756464      118.9491       9.727042      108.3911 4.039291 108.6362 4.476888 -0.2451096     6.029792 
1 1 1 25 15 14 o 73.73169 4.019576 55.15297       5.968707      50.83142       7.382068      59.47453       9.379901      70.91425 5.204926 76.54912 6.126721 -5.634865      8.039152 
1 1 1 25 15 15 o 62.86074 4.510696 40.25423       5.673990      39.43951       7.608772      41.07603       8.423491      62.26952 6.109548 63.45197 6.637692 -1.182442      9.021393 
1 1 1 25 15 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 15 17 o 51.68576 5.092523 27.85633       5.277966      21.45900       6.688493      34.24656       8.168448      45.64824 7.326125 57.72327 7.075525 -12.07504      10.18505 
1 1 1 25 15 18 o 108.6518 3.069616 119.5158       6.702662      108.1097       8.628942      130.9927       10.25838      103.4837 4.169227 113.8199 4.506408 -10.33623      6.139231 
1 1 1 25 15 19 o 132.7782 3.443276 178.8841       9.082352      170.0284       14.16904      187.8106       11.36357      129.2263 5.482259 136.3301 4.167666 -7.103851      6.886552 
1 1 1 25 15 20 o 57.47561 4.426743 33.93484       5.065430      35.84766       6.803263      32.01493       7.509589      59.21694 5.744355 55.73428 6.736957 3.482655       8.853485 
1 1 1 25 15 21 f 24.37521 6.910117 3.341059       5.261672      4.971206       6.424241      1.710202       8.338477      24.70719 9.394361 24.04324 10.13631 0.6639462      13.82023 
1 1 1 25 15 22 o 56.69368 9.022209 0.000000       0.000000      ?              ?             34.47326       10.23004      ?        ?        56.69368 9.022209 ?              ?        
1 1 1 25 15 23 o 36.80325 6.463766 15.19629       4.771423      17.10203       6.493669      13.29764       6.992419      39.28815 8.504389 34.31836 9.736347 4.969784       12.92753 
1 1 1 25 15 24 o 25.22456 6.198021 5.452245       4.257087      11.04476       6.185493      -0.1427530     5.851103      31.42183 9.236953 19.02729 8.266836 12.39454       12.39604 
1 1 1 25 15 25 o 91.47101 3.027690 85.51013       5.529466      90.25676       7.778800      80.83435       7.863815      94.05701 4.135152 88.88501 4.423589 5.171997       6.055380 
1 1 1 25 15 26 o 19.79338 5.944605 1.298592       4.108312      1.278755       5.605979      1.318429       6.006254      19.51156 8.272611 20.07520 8.539159 -0.5636387     11.88921 
1 1 1 25 15 27 o 33.50303 6.390941 13.07802       4.565971      17.42083       6.361189      8.728126       6.551762      39.03552 8.389031 27.97055 9.643685 11.06497       12.78188 
1 1 1 25 15 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 15 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 15 30 o 45.43951 5.054949 23.90316       4.372564      18.37016       6.144402      29.43617       6.223749      39.06839 8.132346 51.81064 6.006246 -12.74225      10.10990 
1 1 1 25 15 31 o 27.64742 6.498659 10.01751       4.311637      11.63278       5.656280      8.402238       6.507838      29.77975 8.854260 25.51508 9.514849 4.264671       12.99732 
1 1 1 25 15 32 o 24.82569 6.562187 8.487252       4.392401      7.530843       5.967289      9.436578       6.447619      23.83000 9.056063 25.82139 9.499310 -1.991390      13.12437 
1 1 1 25 16 0  o 19.51466 10.39138 5.627941       5.434533      5.627941       5.434533      5.627941       5.434533      19.51466 10.39138 19.51466 10.39138 0.000000       0.000000 
1 1 1 25 16 1  o 81.69543 3.026810 67.24624       4.937909      61.56446       6.888985      72.89968       7.076016      78.23277 4.402877 85.15810 4.154635 -6.925339      6.053620 
1 1 1 25 16 2  o 40.21479 5.249591 17.02410       4.079265      12.46167       5.715081      21.57944       5.822057      34.25808 8.395363 46.17150 6.304817 -11.91342      10.49918 
1 1 1 25 16 3  o 130.6438 2.552142 171.5162       6.669365      181.0803       9.656199      161.9521       9.202788      134.2912 3.595245 126.9964 3.623247 7.294807       5.104283 
1 1 1 25 16 4  o 146.6832 2.482937 216.0778       7.282885      218.2032       10.30089      213.8816       10.30089      147.4198 3.493727 145.9467 3.528991 1.473083       4.965874 
1 1 1 25 16 5  o 137.7850 2.551250 190.9278       7.030676      204.9551       10.23004      176.9713       9.649114      142.8442 3.580840 132.7258 3.634982 10.11842       5.102500 
1 1 1 25 16 6  o 58.66782 3.841936 34.81332       4.502919      36.83949       6.378191      32.78715       6.356938      60.39360 5.280519 56.94204 5.581937 3.451561       7.683873 
1 1 1 25 16 7  o 77.47668 3.224151 60.72141       4.970498      68.62064       7.105771      52.82216       6.952746      82.56837 4.302962 72.38499 4.802617 10.18339       6.448302 
1 1 1 25 16 8  o 79.86177 3.499777 64.36993       5.618022      60.48053       7.057597      68.25933       8.742295      77.49731 4.553446 82.22623 5.316002 -4.728912      6.999553 
1 1 1 25 16 9  o 108.7633 2.823200 119.0907       6.147236      109.8809       8.331393      128.3715       9.039845      104.5375 3.984881 112.9890 4.000319 -8.451500      5.646400 
1 1 1 25 16 10 o 49.91084 5.216098 27.69338       4.631858      42.04661       6.667948      13.33306       6.430617      64.51850 5.167470 35.30318 9.062449 29.21532       10.43220 
1 1 1 25 16 11 f 35.60522 6.290513 13.62353       4.510713      10.80389       6.231542      16.44317       6.523424      31.95480 9.232241 39.25563 8.546810 -7.300831      12.58103 
1 1 1 25 16 12 o 149.4129 2.631656 224.5084       7.863815      217.3530       11.05185      231.6637       11.18645      147.0233 3.758537 151.8025 3.684542 -4.779221      5.263312 
1 1 1 25 16 13 o 32.51746 6.500550 10.25130       5.051261      18.19304       6.877649      2.302468       7.403321      41.29487 8.610002 23.74004 9.741484 17.55483       13.00110 
1 1 1 25 16 14 o 171.0047 3.133467 295.7786       10.61969      320.1494       13.79356      271.3370       16.14561      178.2681 3.868767 163.7412 4.930225 14.52696       6.266935 
1 1 1 25 16 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 16 16 o 39.89605 6.120630 17.09494       4.874856      22.45792       6.806097      11.73196       6.981792      46.71368 7.284908 33.07841 9.837608 13.63526       12.24126 
1 1 1 25 16 17 o 25.64404 6.571847 5.649195       4.454036      2.840891       6.099770      8.458915       6.491544      22.39054 8.971791 28.89753 9.605398 -6.506987      13.14369 
1 1 1 25 16 18 o 117.6351 2.939123 139.8484       6.927950      134.7475       9.146112      145.0201       10.40716      115.5316 3.958273 119.7385 4.345785 -4.206909      5.878246 
1 1 1 25 16 19 o 84.32518 3.788987 72.61631       6.351271      66.62989       9.323226      78.56730       8.628942      80.72373 5.774774 87.92663 4.906900 -7.202896      7.577973 
1 1 1 25 16 20 o 75.82260 3.963656 59.13447       6.095519      50.78183       7.190785      67.48711       9.847479      70.58962 5.093373 81.05559 6.074522 -10.46597      7.927311 
1 1 1 25 16 21 o 29.45224 6.623118 9.054014       4.650986      4.225915       6.260589      13.87857       6.879067      23.63998 9.202382 35.26450 9.527799 -11.62452      13.24624 
1 1 1 25 16 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 16 23 o 31.87686 6.388714 11.12978       4.499377      15.64970       6.230834      6.613398       6.492960      37.53856 8.496151 26.21516 9.543485 11.32340       12.77743 
1 1 1 25 16 24 o 42.27383 5.581881 19.50368       4.597852      21.84865       6.428492      17.15870       6.574432      45.44205 7.073285 39.10561 8.637026 6.336445       11.16376 
1 1 1 25 16 25 o 54.32624 4.550184 31.49068       4.889734      36.20897       6.862772      26.77239       6.968331      58.69389 5.846241 49.95860 6.974106 8.735291       9.100368 
1 1 1 25 16 26 o 21.75749 6.348615 1.962411       4.683574      -2.414403      6.177700      6.339226       7.041303      17.69981 8.037474 25.81517 9.829479 -8.115364      12.69723 
1 1 1 25 16 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 16 28 o 75.96917 3.742525 61.88326       5.619440      75.23758       8.225125      48.53603       7.665448      84.59735 4.861338 67.34099 5.691518 17.25636       7.485050 
1 1 1 25 16 29 f 24.44519 6.588225 6.616231       4.483083      5.114314       6.006254      8.118857       6.658030      22.74343 8.972950 26.14696 9.649094 -3.403524      13.17645 
1 1 1 25 16 30 o 19.64708 6.024635 1.992166       4.402319      0.3883733      5.769631      3.596101       6.650945      18.00087 7.990734 21.29328 9.018486 -3.292418      12.04927 
1 1 1 25 16 31 o 28.27282 6.305037 10.61969       4.390984      15.06169       5.798677      6.173449       6.596395      33.74792 8.571690 22.79772 9.248789 10.95019       12.61007 
1 1 1 25 16 32 o 21.53190 6.261591 5.649195       4.386734      6.751545       5.904237      4.547552       6.488710      22.43266 8.881830 20.63115 8.828545 1.801510       12.52318 
1 1 1 25 17 0  f 58.00417 5.554910 34.74247       6.334976      34.74247       6.334976      34.74247       6.334976      58.00417 5.554910 58.00417 5.554910 0.000000       0.000000 
1 1 1 25 17 1  o 90.34991 2.956804 82.32210       5.339601      75.37926       7.374983      89.19408       7.722124      86.54031 4.261010 94.15951 4.100555 -7.619202      5.913608 
1 1 1 25 17 2  o 58.92086 3.937521 35.10379       4.640359      35.29507       6.594269      34.90542       6.529800      59.08299 5.580514 58.75873 5.556451 0.3242607      7.875042 
1 1 1 25 17 3  f 48.46310 4.607183 23.86066       4.461121      22.23830       6.239335      25.49010       6.377483      46.79354 6.666876 50.13267 6.360606 -3.339123      9.214366 
1 1 1 25 17 4  o 80.67287 3.356083 66.31818       5.421073      52.49628       6.984626      80.12590       8.295970      72.16406 4.839408 89.18168 4.651163 -17.01762      6.712167 
1 1 1 25 17 5  o 174.2926 2.527120 305.1302       8.806056      302.8632       12.36248      307.3264       12.55377      173.6582 3.559430 174.9270 3.588286 -1.268829      5.054240 
1 1 1 25 17 6  o 104.9206 2.831636 110.7310       5.938951      115.1943       8.416408      106.2678       8.380984      107.0464 3.931197 102.7949 4.076559 4.251511       5.663271 
1 1 1 25 17 7  o 23.36081 6.332016 3.454411       4.298885      0.3730707      5.931867      6.536176       6.224457      20.06839 8.509231 26.65323 9.379268 -6.584846      12.66403 
1 1 1 25 17 8  o 39.54155 5.836998 16.63445       4.470331      18.27806       6.325057      14.99084       6.318681      41.61264 7.886091 37.47045 8.607658 4.142189       11.67400 
1 1 1 25 17 9  o 96.51771 3.136281 93.94070       6.037426      98.75818       8.246379      89.12323       8.820225      99.03842 4.163222 93.99699 4.691759 5.041428       6.272561 
1 1 1 25 17 10 o 102.0358 3.009983 104.8509       6.142277      105.1342       8.565183      104.5675       8.806056      102.1847 4.191031 101.8869 4.321486 0.2977600      6.019966 
1 1 1 25 17 11 o 67.49297 3.971039 46.14855       5.360855      44.75999       7.481250      47.53003       7.679617      66.47819 5.626846 68.50774 5.604927 -2.029556      7.942078 
1 1 1 25 17 12 o 101.0692 3.226256 103.2214       6.521298      96.77451       8.997337      109.6683       9.443663      97.90306 4.595024 104.2353 4.529974 -6.332214      6.452512 
1 1 1 25 17 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 17 14 o 57.50714 5.146696 34.45201       5.771049      41.90492       7.934660      26.99201       8.380984      64.03544 6.195522 50.97884 8.220062 13.05660       10.29339 
1 1 1 25 17 15 o 59.92068 4.364555 36.66238       5.231208      35.23131       7.289969      38.09346       7.502505      58.74437 6.204823 61.09699 6.139831 -2.352623      8.729110 
1 1 1 25 17 16 o 51.50758 4.707050 27.36749       4.825974      22.91133       6.590019      31.82365       7.051930      47.22477 6.977291 55.79038 6.320022 -8.565617      9.414100 
1 1 1 25 17 17 o 99.38821 2.987180 99.89171       5.941785      95.35760       8.133026      104.4966       8.664365      97.12423 4.186920 101.6522 4.261770 -4.527962      5.974360 
1 1 1 25 17 18 o 54.30484 4.289595 30.22964       4.659488      29.64162       6.488001      30.82474       6.689910      53.78105 6.031866 54.82862 6.100747 -1.047569      8.579190 
1 1 1 25 17 19 o 22.39563 6.483266 2.118979       4.771423      5.856771       7.523758      -1.618812      5.873065      26.62065 10.15350 18.17060 8.064570 8.450048       12.96653 
1 1 1 25 17 20 o 23.45306 6.723788 2.714787       5.068264      0.6244294      7.934660      4.805429       6.310180      22.62588 9.725088 24.28023 9.287624 -1.654352      13.44758 
1 1 1 25 17 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 17 22 o 26.71074 6.938634 6.524132       4.965539      4.271964       7.254546      8.777717       6.778466      24.58459 9.810021 28.83688 9.815397 -4.252295      13.87727 
1 1 1 25 17 23 o 19.79682 6.181059 -1.727914      4.955620      -4.980416      7.396237      1.523880       6.593561      18.26918 8.471632 21.32446 9.002969 -3.055279      12.36212 
1 1 1 25 17 24 o 42.24832 6.452453 20.99851       5.558513      29.32282       8.791886      12.68129       6.800429      51.53609 8.529834 32.96055 9.683932 18.57555       12.90491 
1 1 1 25 17 25 o 21.85881 6.566433 1.823555       5.014421      2.718330       7.389152      0.9287803      6.779883      22.89481 9.591701 20.82282 8.970589 2.071989       13.13287 
1 1 1 25 17 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 17 27 o 25.19241 6.586761 3.748418       5.462163      11.83823       6.426365      -4.342101      8.834394      30.85231 9.492031 19.53251 9.134717 11.31980       13.17352 
1 1 1 25 17 28 o 67.72205 4.658216 51.12896       6.181951      55.76933       7.693786      46.48861       9.684536      71.99683 5.343143 63.44728 7.631955 8.549541       9.316432 
1 1 1 25 17 29 o 35.91648 6.276722 16.98159       4.688534      10.01042       5.920532      23.95984       7.268716      27.85486 9.173226 43.97812 8.569767 -16.12326      12.55344 
1 1 1 25 17 30 o 20.88312 6.070846 4.271256       4.075015      4.536926       5.839768      4.004878       5.685325      21.17772 8.664552 20.58852 8.505657 0.5892048      12.14169 
1 1 1 25 17 31 o 18.79280 5.745237 1.027964       4.296052      -3.812888      6.390944      5.869523       5.742710      15.70889 7.472800 21.87672 8.728588 -6.167837      11.49047 
1 1 1 25 18 0  f 19.40240 10.68052 5.440201       5.899278      5.440201       5.899278      5.440201       5.899278      19.40240 10.68052 19.40240 10.68052 0.000000       0.000000 
1 1 1 25 18 1  o 29.45072 6.561633 8.806056       4.362646      10.60552       6.197536      7.004463       6.142277      31.74283 9.218710 27.15860 9.339993 4.584230       13.12327 
1 1 1 25 18 2  o 67.04257 3.700706 45.40467       4.958454      43.86025       7.074599      46.94202       6.949204      65.88751 5.368696 68.19762 5.094902 -2.310112      7.401413 
1 1 1 25 18 3  o 112.9477 2.771453 128.4423       6.258463      120.7202       8.721042      136.0936       8.976085      109.5541 3.980243 116.3413 3.857651 -6.787170      5.542906 
1 1 1 25 18 4  o 27.86462 6.643473 7.573349       4.391693      7.587519       6.213830      7.559181       6.207455      27.88392 9.397701 27.84532 9.392879 0.3859901E-01  13.28695 
1 1 1 25 18 5  o 48.60848 4.801906 24.05902       4.667280      24.32824       6.526966      23.78273       6.673616      48.89880 6.673954 48.31817 6.905908 0.5806313      9.603812 
1 1 1 25 18 6  o 36.07874 5.775375 13.82898       4.590059      3.985042       6.333559      23.67646       6.644569      23.94959 9.269626 48.20789 6.891579 -24.25829      11.55075 
1 1 1 25 18 7  o 64.97495 3.947514 42.73381       5.129899      42.51419       7.254546      42.95343       7.254546      64.80595 5.597130 65.14395 5.568089 -0.3380051     7.895029 
1 1 1 25 18 8  o 138.0256 2.955152 191.9904       8.118857      179.1674       12.01534      204.8842       10.91724      133.3228 4.506110 142.7283 3.824484 -9.405548      5.910305 
1 1 1 25 18 9  o 70.03851 3.887039 50.01670       5.404070      58.48270       7.800055      41.55070       7.481250      76.06447 5.127265 64.01254 5.843582 12.05193       7.774079 
1 1 1 25 18 10 o 39.43140 6.487803 16.81156       5.040634      14.67912       6.817431      18.94400       7.424574      36.89048 9.249057 41.97231 9.100619 -5.081829      12.97561 
1 1 1 25 18 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 18 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 18 13 o 59.52157 5.538013 36.69780       6.594978      33.42476       8.976085      39.97085       9.663282      56.84621 7.895059 62.19693 7.768295 -5.350712      11.07603 
1 1 1 25 18 14 o 69.34415 4.223733 49.02486       5.835517      47.94802       9.238212      50.10171       7.134109      68.39818 6.753258 70.29012 5.074760 -1.891945      8.447466 
1 1 1 25 18 15 o 42.58012 6.074624 19.56744       5.054803      21.50859       8.118857      17.62628       6.019006      44.47707 9.415569 40.68319 7.677973 3.793880       12.14925 
1 1 1 25 18 16 o 55.46352 5.270679 32.88633       5.271589      23.20888       8.232210      42.56378       6.585060      46.22097 9.231902 64.70606 5.088441 -18.48509      10.54136 
1 1 1 25 18 17 o 67.99871 4.663147 48.64230       6.679283      62.05329       11.77447      35.23131       6.315140      77.22855 7.623132 58.76888 5.372860 18.45967       9.326295 
1 1 1 25 18 18 o 115.2341 2.961788 134.6058       6.859231      139.7067       11.04476      129.5050       8.133026      117.2185 4.711187 113.2498 3.590748 3.968697       5.923576 
1 1 1 25 18 19 o 51.52584 7.306813 30.14462       7.353730      16.51401       11.93033      43.76815       8.607689      38.16363 13.02172 64.88805 6.632723 -26.72441      14.61363 
1 1 1 25 18 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 18 21 o 37.35616 6.515992 15.76305       4.896819      17.69004       7.807138      13.83606       5.909196      39.42432 9.905735 35.28801 8.468118 4.136307       13.03198 
1 1 1 25 18 22 o 31.50483 7.345123 10.97392       5.454370      8.671450       7.849646      13.27639       7.573349      29.01778 10.50017 33.99188 10.27374 -4.974096      14.69025 
1 1 1 25 18 23 o 87.09131 3.544511 78.85069       6.223041      88.20225       9.734127      69.42828       7.757547      92.13301 5.282650 82.04960 4.727352 10.08341       7.089023 
1 1 1 25 18 24 o 47.04326 6.493493 25.44759       5.868815      19.68787       9.153197      31.20730       7.346645      40.06773 11.06439 54.01878 6.800084 -13.95105      12.98699 
1 1 1 25 18 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 18 26 o 21.33205 6.664863 0.1874563      5.905654      -6.093394      8.480167      6.468165       8.218040      17.91998 8.552199 24.74413 10.22455 -6.824141      13.32973 
1 1 1 25 18 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 18 28 o 24.40797 6.502089 4.578724       5.145485      -1.698867      8.281801      10.85348       6.110397      19.74770 9.082030 29.06823 9.307276 -9.320530      13.00418 
1 1 1 25 18 29 o 23.43049 6.680210 6.381733       4.932241      10.69054       7.920490      2.071513       5.880150      27.62189 10.45205 19.23909 8.321992 8.382795       13.36042 
1 1 1 25 18 30 o 17.90283 5.876428 -0.5170990     5.064722      0.4831641      8.551013      -1.517504      5.433117      19.96004 9.199395 15.84561 7.314421 4.114433       11.75286 
1 1 1 25 19 0  o 29.13186 12.41793 12.32706       7.318307      12.32706       7.318307      12.32706       7.318307      29.13186 12.41793 29.13186 12.41793 0.000000       0.000000 
1 1 1 25 19 1  o 49.31858 4.679955 24.74622       4.616981      24.42742       6.441952      25.05794       6.614814      49.01019 6.572053 49.62696 6.664536 -0.6167717     9.359911 
1 1 1 25 19 2  o 130.4540 2.742055 171.3745       7.148279      182.7806       10.33631      159.9684       9.889987      134.8087 3.833696 126.0992 3.921510 8.709480       5.484110 
1 1 1 25 19 3  o 49.52358 5.047098 25.10753       4.980416      22.01160       6.915907      28.20346       7.169532      46.41550 7.449997 52.63167 6.811044 -6.216171      10.09420 
1 1 1 25 19 4  o 91.48085 3.273053 84.51830       5.986417      77.92970       8.267632      91.10690       8.657280      87.89744 4.703000 95.06426 4.553383 -7.166824      6.546106 
1 1 1 25 19 5  o 63.84871 4.170464 41.36650       5.322598      38.93651       7.417490      43.79649       7.637110      61.95866 5.985838 65.73875 5.808683 -3.780083      8.340927 
1 1 1 25 19 6  o 75.20676 3.685482 57.29249       5.523090      61.98954       7.715039      52.58838       7.906322      78.34212 4.923941 72.07140 5.485062 6.270729       7.370963 
1 1 1 25 19 7  o 64.59747 4.517790 42.48585       5.851103      43.47060       9.464915      41.50819       6.885443      65.17640 7.261000 64.01855 5.377693 1.157845       9.035580 
1 1 1 25 19 8  f 62.55793 5.203485 40.39592       6.333559      34.09070       9.868733      46.70114       7.934660      57.34858 8.604165 67.76728 5.854344 -10.41870      10.40697 
1 1 1 25 19 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 19 10 o 74.80569 7.141315 60.38843       9.351563      46.79324       16.59903      73.96236       8.607689      64.23277 13.36349 85.37862 5.040893 -21.14584      14.28263 
1 1 1 25 19 11 o 24.50967 7.057547 3.093809       5.503962      3.304219       8.933578      2.883399       6.434159      26.15939 10.71204 22.85996 9.191734 3.299427       14.11509 
1 1 1 25 19 12 o 74.30048 4.103255 56.22982       6.053012      54.04779       9.691620      58.41185       7.261631      72.64367 6.670658 75.95728 4.780076 -3.313606      8.206510 
1 1 1 25 19 13 o 113.3995 3.371278 130.2134       7.644195      130.0009       11.46275      130.4968       10.11669      113.1995 5.063074 113.5994 4.452791 -0.3999252     6.742557 
1 1 1 25 19 14 o 51.67570 5.851802 29.09612       5.409029      18.47642       8.565183      39.71581       6.609855      40.86659 10.44026 62.48482 5.289168 -21.61823      11.70360 
1 1 1 25 19 15 o 29.56680 6.689826 7.970083       5.004504      3.075389       7.998421      12.86548       6.011921      24.78042 10.13971 34.35319 8.729342 -9.572767      13.37965 
1 1 1 25 19 16 o 61.83410 4.343864 39.26240       5.355187      38.75940       8.536844      39.77248       6.471707      61.20013 6.974531 62.46807 5.180012 -1.267937      8.687728 
1 1 1 25 19 17 o 47.58380 5.423310 25.25630       5.095893      36.32941       8.388069      14.17612       5.784509      59.11746 7.094409 36.05013 8.204786 23.06733       10.84662 
1 1 1 25 19 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 19 19 o 37.63244 6.673308 15.96142       5.085975      16.81865       8.210957      15.10419       6.001295      38.30408 10.43645 36.96080 8.319411 1.343288       13.34662 
1 1 1 25 19 20 o 46.48891 6.438983 23.86066       5.800803      21.03393       9.337394      26.68738       6.883317      42.52059 10.92322 50.45723 6.820942 -7.936646      12.87797 
1 1 1 25 19 21 o 29.37571 6.936450 9.401155       4.986084      14.11236       7.778800      4.686408       6.239335      34.95663 10.38144 23.79478 9.202334 11.16186       13.87290 
1 1 1 25 19 22 o 32.08775 7.020516 11.91616       5.022923      11.41316       7.722124      12.42624       6.425658      31.44457 10.47634 32.73093 9.348625 -1.286364      14.04103 
1 1 1 25 19 23 o 38.31450 6.780954 17.44208       5.237584      21.18271       7.906322      13.69437       6.874816      42.54519 9.529961 34.08382 9.649103 8.461369       13.56191 
1 1 1 25 19 24 f 30.93537 9.255030 10.71888       11.42024      0.3839100      18.58978      21.04810       13.27639      26.60310 12.68809 35.26763 13.47719 -8.664528      18.51006 
1 1 1 25 19 25 f 28.39162 7.705842 10.62678       7.036344      4.768589       11.31397      16.48567       8.366816      23.99338 10.89052 32.78987 10.90489 -8.796494      15.41168 
1 1 1 25 19 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 19 27 o 18.28823 5.828727 -2.232332      4.863521      -6.275465      8.019674      1.810803       5.503962      17.47302 8.333612 19.10345 8.151511 -1.630426      11.65745 
1 1 1 25 19 28 o 26.06551 6.495331 7.842561       4.727499      2.966996       7.247461      12.71671       6.077100      21.17105 9.199430 30.95996 9.172119 -9.788910      12.99066 
1 1 1 25 19 29 o 93.24741 3.428268 95.00338       6.354813      90.39845       9.585353      99.60831       8.345562      90.19084 5.313928 96.30398 4.332927 -6.113136      6.856535 
1 1 1 25 19 30 o 21.16295 5.998173 3.195117       4.629024      -3.926240      7.098687      10.31506       5.943202      16.14976 7.735244 26.17614 9.169423 -10.02638      11.99635 
1 1 1 25 20 0  o 60.36290 6.729136 38.12888       7.948828      38.12888       7.948828      38.12888       7.948828      60.36290 6.729136 60.36290 6.729136 0.000000       0.000000 
1 1 1 25 20 1  o 19.92844 6.136432 -2.345684      4.841560      2.491625       6.922991      -7.183701      6.770674      23.23918 9.458634 16.61770 7.820320 6.621477       12.27286 
1 1 1 25 20 2  o 67.13638 4.825067 46.41776       6.340643      37.66130       9.301972      55.17422       8.614774      60.56291 7.679595 73.70985 5.843706 -13.14693      9.650133 
1 1 1 25 20 3  o 113.6240 3.152249 130.2843       7.162447      128.4423       9.996255      132.1971       10.26547      112.8120 4.430494 114.4360 4.485244 -1.624016      6.304498 
1 1 1 25 20 4  o 32.77832 7.676739 11.15103       5.938951      13.11344       9.620775      9.188620       6.964789      35.46729 11.69356 30.08935 9.949369 5.377939       15.35348 
1 1 1 25 20 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 20 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 20 7  o 34.76117 13.33381 0.000000       0.000000      ?              ?             10.40716       13.03551      ?        ?        34.76117 13.33381 ?              ?        
1 1 1 25 20 8  o 33.33810 7.570031 11.59027       5.848978      11.43441       9.464915      11.75322       6.871274      33.61032 11.59076 33.06589 9.740418 0.5444298      15.14006 
1 1 1 25 20 9  o 119.0142 3.149664 143.1781       7.502505      143.9574       12.00117      142.3988       8.997337      119.1609 5.035701 118.8675 3.784608 0.2934113      6.299329 
1 1 1 25 20 10 f 48.98476 6.724438 25.72388       6.592144      28.47976       11.51943      22.96801       6.417156      50.63424 11.61574 47.33529 6.778406 3.298958       13.44888 
1 1 1 25 20 11 o 34.12041 7.062213 12.51126       5.237584      12.79464       8.565183      12.22079       6.026091      34.63397 11.01229 33.60685 8.844705 1.027122       14.12443 
1 1 1 25 20 12 o 33.70267 7.290583 12.26330       5.404070      13.18429       8.416408      11.34231       6.778466      34.93637 10.88596 32.46896 9.700837 2.467411       14.58117 
1 1 1 25 20 13 o 78.89131 3.732292 63.61897       5.957372      71.48279       9.500339      55.77641       7.183701      83.66769 5.677424 74.11493 4.846326 9.552757       7.464584 
1 1 1 25 20 14 o 22.08577 6.439909 0.5433117      4.979708      -3.567055      8.040927      4.653820       5.873774      20.31848 9.205524 23.85306 9.008220 -3.534586      12.87982 
1 1 1 25 20 15 o 59.36528 4.535086 36.43568       5.269464      32.00785       8.260548      40.86350       6.548220      55.43629 7.450488 63.29427 5.172837 -7.857986      9.070172 
1 1 1 25 20 16 o 34.04831 6.789463 12.57502       5.030007      10.03168       7.991336      15.11836       6.107563      30.98131 10.65359 37.11531 8.419509 -6.134001      13.57893 
1 1 1 25 20 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 20 18 o 75.23698 4.049656 58.40476       6.065056      55.81183       9.209873      60.99770       7.892153      73.33437 6.279371 77.13959 5.115501 -3.805222      8.099312 
1 1 1 25 20 19 o 45.45020 6.282053 23.48518       5.497586      13.25513       8.324308      33.71522       7.183701      34.06831 10.85878 56.83208 6.320110 -22.76378      12.56411 
1 1 1 25 20 20 o 74.12907 4.672237 57.73174       6.885443      56.85326       11.29272      58.61022       7.877984      72.89252 7.746146 75.36563 5.226510 -2.473114      9.344474 
1 1 1 25 20 21 o 31.43767 7.309137 11.45567       5.448702      11.90199       8.891070      11.00934       6.296719      32.01680 11.21526 30.85853 9.376136 1.158268       14.61827 
1 1 1 25 20 22 o 51.75238 6.065766 29.99585       6.058680      30.44217       10.23713      29.54952       6.483042      50.59555 10.47087 52.90921 6.126572 -2.313663      12.13153 
1 1 1 25 20 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 20 24 o 68.66446 6.838299 63.00262       9.316141      64.63914       14.79956      61.36609       11.32106      66.84117 11.07069 70.48775 8.030515 -3.646584      13.67660 
1 1 1 25 20 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 20 26 o 19.41269 6.036186 1.047092       4.546844      2.324430       7.233293      -0.2306719     5.509629      21.30207 9.222376 17.52331 7.790375 3.778765       12.07237 
1 1 1 25 20 27 o 37.45837 5.640364 17.59086       4.770715      5.479875       7.374983      29.69830       6.057971      23.19587 9.641437 51.72087 5.856409 -28.52500      11.28073 
1 1 1 25 20 28 o 18.54535 5.814752 -0.1307094     4.665155      -3.900027      7.552096      3.638608       5.482000      17.18336 8.150071 19.90735 8.295884 -2.723988      11.62950 
1 1 1 25 20 29 o 54.96762 5.188993 37.70380       5.678949      39.63787       9.358648      35.76265       6.433450      54.29268 8.618702 55.64256 5.781052 -1.349884      10.37799 
1 1 1 25 21 0  o 30.03221 13.15847 13.43225       8.182618      13.43225       8.182618      13.43225       8.182618      30.03221 13.15847 30.03221 13.15847 0.000000       0.000000 
1 1 1 25 21 1  o 26.86060 7.839336 3.093101       6.946370      1.917071       11.14395      4.268422       8.288886      27.52265 11.66617 26.19854 10.47479 1.324114       15.67867 
1 1 1 25 21 2  o 78.82803 4.454519 63.56938       6.956996      60.84893       11.34231      66.28275       8.062181      76.81561 7.382819 80.84047 4.986476 -4.024864      8.909038 
1 1 1 25 21 3  o 32.27559 7.525057 10.96683       5.950995      17.40666       9.769550      4.526299       6.797595      39.72097 11.58687 24.83021 9.604701 14.89075       15.05011 
1 1 1 25 21 4  o 56.17688 5.444009 32.59587       6.072140      31.75281       9.960832      33.44601       6.952037      55.10733 9.037665 57.24642 6.072028 -2.139088      10.88802 
1 1 1 25 21 5  o 22.90715 6.761447 1.134940       5.337476      -0.9634944     8.713958      3.232665       6.167781      22.95392 10.03064 22.86038 9.069455 0.9354019E-01  13.52289 
1 1 1 25 21 6  o 59.48437 4.904401 36.31524       5.796553      34.91250       9.202788      37.71797       7.045553      58.10519 7.919077 60.86355 5.787991 -2.758362      9.808803 
1 1 1 25 21 7  o 41.89161 6.469144 19.30531       5.367939      24.33532       8.628942      14.28239       6.390944      47.46301 9.425081 36.32021 8.863811 11.14279       12.93829 
1 1 1 25 21 8  o 86.16673 3.626592 75.37926       6.283259      78.56730       10.18754      72.19124       7.360813      87.81530 5.800548 84.51817 4.354575 3.297127       7.253184 
1 1 1 25 21 9  o 54.93608 5.467845 31.85908       5.562763      25.94350       8.976085      37.77465       6.576558      48.92960 9.511872 60.94255 5.395703 -12.01295      10.93569 
1 1 1 25 21 10 o 37.76890 7.578887 15.51509       6.358355      16.28022       11.16520      14.74997       6.089143      38.62817 12.59723 36.90963 8.430180 1.718536       15.15777 
1 1 1 25 21 11 o 49.88543 5.200642 26.07102       5.274423      31.49068       8.522675      20.65137       6.213830      55.03544 7.742897 44.73542 6.945089 10.30002       10.40128 
1 1 1 25 21 12 f 122.3849 3.457730 152.3171       8.458915      157.0638       12.00117      147.5705       11.93033      124.3180 4.826803 120.4517 4.952330 3.866348       6.915461 
1 1 1 25 21 13 f 23.08649 6.529303 1.402026       5.040634      -3.484874      8.026759      6.289635       6.102604      20.30820 9.199321 25.86477 9.268209 -5.556572      13.05861 
1 1 1 25 21 14 o 26.45547 6.914744 6.001295       5.041343      10.23004       7.658363      1.771129       6.557429      31.11277 10.43301 21.79816 9.077836 9.314613       13.82949 
1 1 1 25 21 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 21 16 o 28.99605 7.680554 7.948828       6.177700      8.026759       10.22296      7.863815       6.937160      30.11453 11.75178 27.87757 9.892385 2.236965       15.36111 
1 1 1 25 21 17 o 31.96941 7.622111 11.37065       5.885818      14.38157       9.748297      8.366816       6.602063      35.63276 11.77080 28.30606 9.686825 7.326698       15.24422 
1 1 1 25 21 18 o 29.15602 7.578384 8.607689       5.943910      9.068183       9.790804      8.147196       6.746586      30.41454 11.58786 27.89750 9.769807 2.517040       15.15677 
1 1 1 25 21 19 o 30.18293 7.073675 10.49926       5.387067      17.86007       9.139028      3.146235       5.705162      38.73413 11.17706 21.63173 8.672993 17.10241       14.14735 
1 1 1 25 21 20 o 32.93716 6.779856 11.90907       5.334641      7.573349       8.912323      16.24480       5.862438      27.96688 10.96055 37.90743 7.983238 -9.940546      13.55971 
1 1 1 25 21 21 o 53.55996 5.230900 30.99477       5.642818      33.19096       9.181536      28.80565       6.567348      54.91522 8.359737 52.20470 6.289997 2.710518       10.46180 
1 1 1 25 21 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 21 23 f 77.93206 4.291605 67.47295       6.751545      73.67899       10.95267      61.27399       7.892153      80.55650 6.798126 75.30762 5.239943 5.248871       8.583211 
1 1 1 25 21 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 21 25 o 20.53192 6.350995 1.537340       5.084558      1.105185       8.416408      1.968787       5.706579      21.56812 9.607378 19.49573 8.308961 2.072384       12.70199 
1 1 1 25 21 26 o 22.53424 6.577388 5.231208       4.983958      10.75430       8.303054      -0.2930157     5.516714      27.90110 10.65925 17.16738 7.708987 10.73372       13.15478 
1 1 1 25 21 27 o 18.61310 5.787443 -1.095266      4.780632      -6.885443      7.771716      4.694910       5.567723      16.24703 7.853673 20.97917 8.502811 -4.732132      11.57489 
1 1 1 25 21 28 o 60.92587 4.954865 45.45426       6.067182      49.76874       10.14503      41.14688       6.662281      61.74675 8.215033 60.10498 5.542203 1.641762       9.909731 
1 1 1 25 22 0  o 54.77757 7.352570 32.02202       7.828392      32.02202       7.828392      32.02202       7.828392      54.77757 7.352570 54.77757 7.352570 0.000000       0.000000 
1 1 1 25 22 1  o 68.03401 4.351759 47.29624       5.921240      44.32783       8.203872      50.26465       8.536844      65.88061 6.226318 70.18742 6.081463 -4.306808      8.703518 
1 1 1 25 22 2  o 35.27787 6.837090 12.97175       5.310555      9.025676       8.607689      16.91074       6.221623      30.81448 11.01076 39.74126 8.108417 -8.926785      13.67418 
1 1 1 25 22 3  o 76.60269 3.999825 59.75082       6.155029      61.86201       10.00334      57.63964       7.176617      77.75950 6.432230 75.44588 4.756135 2.313614       7.999650 
1 1 1 25 22 4  o 38.06241 6.857602 15.70638       5.360146      15.50093       8.813140      15.91891       6.101895      37.63654 11.01356 38.48828 8.173640 -0.8517380     13.71520 
1 1 1 25 22 5  f 47.90722 5.912766 24.26447       5.528758      24.85249       8.961915      23.66937       6.478083      47.79618 9.712996 48.01826 6.745438 -0.2220764     11.82553 
1 1 1 25 22 6  o 77.30606 4.036618 61.27399       6.054429      51.72406       9.578268      70.82392       7.410406      70.94946 6.750065 83.66267 4.428741 -12.71322      8.073236 
1 1 1 25 22 7  o 49.61314 5.897412 26.48901       5.454370      19.46117       8.402238      33.51685       6.952746      41.99325 10.11057 57.23302 6.074069 -15.23977      11.79482 
1 1 1 25 22 8  o 63.50504 4.383967 41.45152       5.634317      45.39759       9.181536      37.50544       6.533343      66.34305 6.919742 60.66702 5.384592 5.676029       8.767934 
1 1 1 25 22 9  o 66.53825 4.764931 45.94310       6.193994      38.12888       9.287803      53.76441       8.203872      60.54173 7.670579 72.53477 5.655130 -11.99304      9.529862 
1 1 1 25 22 10 o 48.62951 5.982448 25.23505       5.626524      24.49826       9.224042      25.97893       6.446911      47.02196 10.09888 50.23706 6.416490 -3.215099      11.96490 
1 1 1 25 22 11 o 47.22478 6.057493 24.42033       5.651320      31.72447       8.912323      17.10911       6.953454      54.98507 8.104313 39.46449 9.005165 15.52057       12.11499 
1 1 1 25 22 12 o 26.97663 7.460127 3.603894       6.388110      -2.922364      9.613690      10.13086       8.416408      22.63348 10.16974 31.31978 10.91744 -8.686302      14.92025 
1 1 1 25 22 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 22 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 22 15 o 72.23142 4.851368 54.74915       7.127024      61.34484       11.83823      48.16055       7.934660      76.15675 7.772278 68.30609 5.808164 7.850662       9.702736 
1 1 1 25 22 16 o 53.99499 5.831100 31.65363       6.017590      30.68304       10.13086      32.62420       6.499337      51.89833 10.12138 56.09164 5.793499 -4.193306      11.66220 
1 1 1 25 22 17 o 25.32214 6.385334 2.932990       5.105812      -5.097310      8.267632      10.95975       5.994210      19.44110 8.992699 31.20317 9.067598 -11.76207      12.77067 
1 1 1 25 22 18 o 36.73112 6.217710 14.43825       5.342435      4.669405       8.586436      24.20071       6.356230      25.68308 10.50690 47.77916 6.651676 -22.09608      12.43542 
1 1 1 25 22 19 o 18.28159 5.890408 -3.015879      4.874856      -5.088101      7.856731      -0.9436577     5.775299      18.56480 8.655828 17.99837 7.991509 0.5664310      11.78082 
1 1 1 25 22 20 o 44.22974 6.374865 22.35165       5.494752      18.07261       8.536844      26.63070       6.919449      38.61399 10.69484 49.84550 6.940897 -11.23151      12.74973 
1 1 1 25 22 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 22 22 o 28.75195 7.414112 10.32214       5.625107      12.34832       9.216957      8.295970       6.454704      30.90710 11.35882 26.59680 9.531702 4.310301       14.82822 
1 1 1 25 22 23 o 21.71197 7.122976 -2.213912      7.580434      -3.727873      11.93741      -0.6992419     9.344479      22.10942 10.39869 21.31451 9.737267 0.7949104      14.24595 
1 1 1 25 22 24 o 23.77372 6.277007 2.447701       5.181617      -6.125983      8.487252      11.02351       5.948870      18.05985 8.600859 29.48759 9.144861 -11.42775      12.55401 
1 1 1 25 22 25 o 53.62071 5.747946 34.87708       5.916989      35.01877       9.649114      34.73539       6.856396      51.61124 9.704607 55.63018 6.162479 -4.018944      11.49589 
1 1 1 25 22 26 o 22.57888 6.609799 5.913447       4.889734      7.197870       7.651280      4.625482       6.091268      23.95431 9.878724 21.20344 8.784565 2.750868       13.21960 
1 1 1 25 22 27 o 22.92603 6.474889 5.741293       5.011588      0.6016881      7.637110      10.88182       6.495085      18.98117 8.726086 26.87087 9.568290 -7.889700      12.94978 
1 1 1 25 23 0  o 32.43889 12.14925 14.60828       7.325392      14.60828       7.325392      14.60828       7.325392      32.43889 12.14925 32.43889 12.14925 0.000000       0.000000 
1 1 1 25 23 1  o 67.41174 4.249942 46.50277       5.729249      46.89242       7.984251      46.11312       8.218040      67.72339 5.894752 67.10008 6.123719 0.6233063      8.499885 
1 1 1 25 23 2  o 25.03073 7.003717 3.951744       5.265922      6.108272       7.417490      1.795217       7.474166      26.90240 10.13304 23.15906 9.671080 3.743343       14.00743 
1 1 1 25 23 3  o 128.9633 2.975495 168.3281       7.672533      175.3418       10.94558      161.3145       10.75430      131.6693 4.156466 126.2573 4.258881 5.411987       5.950989 
1 1 1 25 23 4  o 65.00175 4.356202 43.41393       5.642110      39.43951       7.998421      47.38834       7.962997      61.94094 6.456490 68.06256 5.849764 -6.121620      8.712404 
1 1 1 25 23 5  o 61.33174 5.375632 40.33216       5.857479      28.13262       9.365732      52.53170       7.034218      50.77169 9.573705 71.89180 4.892226 -21.12011      10.75126 
1 1 1 25 23 6  o 74.66947 4.124701 57.11538       6.192576      59.54537       10.11669      54.69248       7.148279      75.99321 6.656312 73.34573 4.873003 2.647476       8.249403 
1 1 1 25 23 7  o 69.50069 4.291494 49.83958       6.053012      56.72574       9.819141      42.96052       7.083809      74.15189 6.620965 64.84948 5.461732 9.302406       8.582989 
1 1 1 25 23 8  o 42.95381 7.322856 19.85790       6.716123      14.21863       11.25021      25.49718       7.339560      36.42265 12.62936 49.48497 7.415949 -13.06232      14.64571 
1 1 1 25 23 9  o 31.55336 8.610420 5.251045       9.549930      -0.4889026E-01 17.81048      10.54885       6.902445      31.85996 14.10420 31.24677 9.880736 0.6131916      17.22084 
1 1 1 25 23 10 o 30.66079 7.632243 7.807138       6.551762      2.517129       10.86057      13.10636       7.325392      27.05036 11.49364 34.27121 10.04494 -7.220852      15.26449 
1 1 1 25 23 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 23 12 o 36.74213 9.292534 15.28839       8.742295      19.81540       13.50309      10.76138       11.11561      40.69974 13.85348 32.78452 12.38894 7.915222       18.58507 
1 1 1 25 23 13 o 43.76722 6.644065 21.40233       5.717914      22.09661       9.316141      20.71513       6.630400      43.86918 10.69909 43.66526 7.880594 0.2039223      13.28813 
1 1 1 25 23 14 o 20.98338 6.361493 -0.3940409     5.076765      -3.708037      8.267632      2.920238       5.892194      20.22190 9.213425 21.74485 8.774233 -1.522953      12.72299 
1 1 1 25 23 15 o 31.10064 7.073777 11.14395       5.241126      16.86115       8.657280      5.422490       5.912030      37.89976 10.85969 24.30152 9.067542 13.59824       14.14755 
1 1 1 25 23 16 o 59.00530 4.734475 36.79699       5.605979      38.28473       8.940661      35.30924       6.767131      59.81172 7.474004 58.19889 5.813798 1.612835       9.468949 
1 1 1 25 23 17 o 37.75317 7.017036 16.81865       5.545053      15.14670       8.983169      18.49059       6.497920      35.18356 11.28701 40.32277 8.340176 -5.139210      14.03407 
1 1 1 25 23 18 o 46.64703 6.121898 24.52660       5.627941      26.87866       9.054014      22.17454       6.682826      47.97975 9.774289 45.31430 7.373860 2.665451       12.24380 
1 1 1 25 23 19 o 24.26584 6.565401 -0.4602103     6.021132      -13.31889      9.712874      12.39791       7.119940      17.28602 8.449556 31.24565 10.05102 -13.95963      13.13080 
1 1 1 25 23 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 23 21 o 36.09808 8.207846 17.81048       7.127024      20.87099       12.45458      14.75705       6.922283      37.78389 13.27019 34.41228 9.663183 3.371616       16.41569 
1 1 1 25 23 22 o 26.87608 7.335448 8.933578       5.627233      11.54776       8.969000      6.312305       6.798304      29.50831 11.13514 24.24384 9.552166 5.264471       14.67090 
1 1 1 25 23 23 o 37.94846 10.32261 0.000000       0.000000      ?              ?             19.45408       8.040927      ?        ?        37.94846 10.32261 ?              ?        
1 1 1 25 23 24 o 21.12143 6.442587 2.762254       5.085267      0.7948829      7.821308      4.729624       6.503587      20.22790 9.126160 22.01496 9.096203 -1.787058      12.88517 
1 1 1 25 23 25 o 17.74495 5.903141 -2.279798      5.302762      1.641483       8.451830      -6.201787      6.411489      20.62960 9.376740 14.86030 7.173912 5.769302       11.80628 
1 1 1 25 23 26 o 18.19232 5.843207 0.7594603      4.708370      0.2344267      7.424574      1.284423       5.792302      18.57195 8.564371 17.81268 7.951341 0.7592754      11.68641 
1 1 1 25 24 0  o 27.10240 12.37177 11.18645       7.240376      11.18645       7.240376      11.18645       7.240376      27.10240 12.37177 27.10240 12.37177 0.000000       0.000000 
1 1 1 25 24 1  o 25.00685 6.961851 4.327223       5.150445      2.700618       7.134109      5.954537       7.431659      23.37593 9.572476 26.63776 10.11124 -3.261827      13.92370 
1 1 1 25 24 2  o 64.75047 4.684515 43.65480       5.997045      51.71698       8.579351      35.59262       8.380984      70.95177 6.045903 58.54917 7.157219 12.40261       9.369031 
1 1 1 25 24 3  o 53.24704 5.710794 29.85416       6.103312      33.18388       9.231127      26.51735       7.984251      56.18601 8.214790 50.30807 7.935359 5.877941       11.42159 
1 1 1 25 24 4  o 56.57147 6.272842 35.93976       6.566639      20.61595       8.961915      51.26357       9.599521      42.80300 10.52767 70.33994 6.823664 -27.53693      12.54568 
1 1 1 25 24 5  o 28.62967 7.280107 6.039551       6.023257      14.70746       8.806056      -2.629773      8.218040      36.25917 11.10239 21.00016 9.420021 15.25900       14.56021 
1 1 1 25 24 6  o 75.57690 4.486682 59.24782       6.696286      52.20581       9.953747      66.29691       8.961915      70.78407 7.031065 80.36975 5.575428 -9.585686      8.973365 
1 1 1 25 24 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 24 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 24 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 24 10 o 31.14377 7.296551 10.80389       5.520257      16.23771       9.110690      5.372899       6.233667      37.56719 11.25111 24.72034 9.293608 12.84684       14.59310 
1 1 1 25 24 11 o 18.72670 6.203006 -6.698411      5.829850      -6.653780      8.806056      -6.742336      7.637110      19.58020 9.142655 17.87320 8.385760 1.707005       12.40601 
1 1 1 25 24 12 o 34.23061 6.754035 12.64586       5.291427      7.382068       8.480167      17.90258       6.327891      28.21933 10.77481 40.24189 8.146873 -12.02256      13.50807 
1 1 1 25 24 13 o 52.92184 5.881798 30.61220       5.878025      27.58003       9.599521      33.64437       6.782009      48.99900 10.13885 56.84468 5.965385 -7.845684      11.76360 
1 1 1 25 24 14 o 30.93963 7.271685 11.03768       5.489793      16.66279       9.039845      5.418948       6.231542      37.40823 11.20805 24.47104 9.267649 12.93719       14.54337 
1 1 1 25 24 15 o 30.43098 6.961453 10.78972       5.423907      19.78706       8.990252      1.795925       6.068598      40.26166 10.89854 20.60030 8.664251 19.66136       13.92291 
1 1 1 25 24 16 o 38.52166 7.289510 17.83173       5.839059      18.60394       9.493254      17.05952       6.797595      38.70260 11.46338 38.34072 9.007708 0.3618813      14.57902 
1 1 1 25 24 17 o 21.28472 6.612772 -2.626231      6.071432      -8.770633      10.14503      3.514630       6.671490      19.85824 9.431717 22.71119 9.271338 -2.852955      13.22554 
1 1 1 25 24 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 24 19 o 28.16272 7.699046 10.35048       6.475249      17.98759       10.44258      2.708411       7.658363      34.54541 12.14930 21.78003 9.460218 12.76538       15.39809 
1 1 1 25 24 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 24 21 o 33.67646 6.731609 13.84315       5.639985      4.049510       8.324308      23.63395       7.615856      23.48166 10.02240 43.87127 8.989423 -20.38960      13.46322 
1 1 1 25 24 22 o 18.27894 5.971872 -2.320888      5.150445      1.778922       7.906322      -6.420699      6.602063      21.13948 9.372787 15.41841 7.402964 5.721065       11.94374 
1 1 1 25 24 23 o 19.77487 6.128322 1.601810       4.753003      -0.2879857     7.219123      3.491250       6.179825      18.93994 8.623995 20.60980 8.709308 -1.669855      12.25664 
1 1 1 25 24 24 o 18.58086 5.867289 -1.206493      4.815347      7.870899       7.509589      -10.28672      6.026091      24.31182 9.866106 12.84991 6.352973 11.46192       11.73458 
1 1 1 25 24 25 o 20.77662 6.208447 4.215288       4.673656      1.472871       7.197870      6.958413       5.960205      18.95798 8.626611 22.59526 8.930891 -3.637272      12.41689 
1 1 1 25 25 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 25 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 25 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 25 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 25 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 25 5  o 50.27397 8.268021 29.71955       8.175533      32.49669       11.76738      26.94242       11.35648      52.81765 11.46140 47.73029 11.91961 5.087360       16.53604 
1 1 1 25 25 6  o 32.26112 7.587520 11.41316       5.736334      11.05185       7.715039      11.76738       8.487252      31.77468 10.47155 32.74756 10.98311 -0.9728851     15.17504 
1 1 1 25 25 7  o 27.58044 7.174013 6.684951       5.418948      10.63386       7.601687      2.733207       7.729208      31.30268 10.39433 23.85820 9.890593 7.444487       14.34803 
1 1 1 25 25 8  o 22.65647 7.016518 0.2901110      6.219499      0.3577681E-02  10.86765      0.5766798      6.050178      25.37554 11.14439 19.93740 8.528115 5.438143       14.03304 
1 1 1 25 25 9  o 30.05777 7.311026 10.02459       5.467831      14.39574       9.018591      5.647069       6.181951      35.29381 11.30793 24.82174 9.270124 10.47207       14.62205 
1 1 1 25 25 10 o 26.44094 7.240518 3.783841       6.227291      -1.498376      10.49217      9.068183       6.707621      23.94233 10.69417 28.93956 9.763967 -4.997225      14.48104 
1 1 1 25 25 11 o 69.20332 4.584473 50.27174       6.255630      46.86409       9.996255      53.68648       7.523758      66.27908 7.541033 72.12757 5.215590 -5.848488      9.168945 
1 1 1 25 25 12 o 31.63070 7.233067 10.82514       5.605979      7.778800       9.089437      13.86440       6.563805      28.59518 11.09705 34.66622 9.280326 -6.071041      14.46613 
1 1 1 25 25 13 o 21.92735 6.731939 1.108019       5.574807      5.492627       9.188620      -3.277298      6.315848      26.51963 10.86244 17.33506 7.955087 9.184566       13.46388 
1 1 1 25 25 14 f 48.27901 7.189609 27.35332       6.858521      21.24647       11.58319      33.46018       7.346645      40.51189 12.79866 56.04612 6.554106 -15.53423      14.37922 
1 1 1 25 25 15 o 32.17449 7.679162 11.48400       6.852854      24.54785       11.21479      -1.589057      7.877984      43.86333 12.29395 20.48565 9.205272 23.37767       15.35832 
1 1 1 25 25 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 25 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 25 18 f 25.09177 7.367093 3.061929       6.690619      -5.992085      9.245295      12.11453       9.670367      19.33595 9.110862 30.84759 11.57966 -11.51163      14.73419 
1 1 1 25 25 19 o 23.22746 6.870838 4.352728       5.491918      3.155444       8.784801      5.549303       6.591435      23.05804 10.07377 23.39688 9.346270 -0.3388367     13.74168 
1 1 1 25 25 20 o 18.65440 6.053492 -1.530256      5.118564      -0.2682907     8.062181      -2.791300      6.305221      20.37431 9.224940 16.93448 7.840887 3.439829       12.10698 
1 1 1 25 25 21 o 22.39413 6.409653 3.504711       4.989626      -1.183114      7.913406      8.189702       6.081350      19.33803 8.886943 25.45023 9.238876 -6.112206      12.81931 
1 1 1 25 25 22 f 23.49325 6.493896 5.015130       5.073932      -0.9365733     7.835476      10.96683       6.452579      18.99229 8.773410 27.99421 9.576533 -9.001926      12.98779 
1 1 1 25 25 23 o 20.86534 6.359852 4.114688       4.833058      6.138027       7.481250      2.091350       6.117482      22.76203 9.598907 18.96864 8.345769 3.793385       12.71970 
1 1 1 25 25 24 o 28.94838 6.828482 13.23388       4.893985      10.69762       7.474166      15.76305       6.316556      25.49829 10.02546 32.39846 9.273776 -6.900162      13.65696 
1 1 1 25 26 0  o 68.45496 7.565647 49.85375       10.13795      49.85375       10.13795      49.85375       10.13795      68.45496 7.565647 68.45496 7.565647 0.000000       0.000000 
1 1 1 25 26 1  o 90.28134 6.246336 84.73083       11.27855      84.73083       11.27855      ?              ?             90.28134 6.246336 ?        ?        ?              ?        
1 1 1 25 26 2  o 36.30343 7.393794 13.14178       7.424574      -6.463914      8.869816      32.75172       11.91616      19.71474 9.193919 52.89213 11.58208 -33.17739      14.78759 
1 1 1 25 26 3  o 23.45108 7.151957 0.5910613      6.177700      -2.007044      8.721042      3.189450       8.756464      21.75013 9.731503 25.15203 10.48331 -3.401899      14.30391 
1 1 1 25 26 4  o 59.96021 5.882752 38.97902       6.981792      31.93701       9.684536      46.02103       10.06001      54.17331 8.938476 65.74710 7.650539 -11.57379      11.76550 
1 1 1 25 26 5  o 63.96346 5.226765 43.76107       6.699829      36.54903       8.756464      50.97310       10.13795      58.61715 7.469201 69.30978 7.313502 -10.69264      10.45353 
1 1 1 25 26 6  o 22.83828 6.792400 -1.336848      5.923365      7.155363       8.012589      -9.826226      8.728126      27.64319 10.49721 18.03337 8.622959 9.609819       13.58480 
1 1 1 25 26 7  o 111.5028 3.725970 128.6548       8.359732      116.1861       10.63386      141.1236       12.89382      106.2574 5.003823 116.7483 5.522062 -10.49089      7.451941 
1 1 1 25 26 8  o 25.84953 7.628457 2.936532       6.767131      -1.292216      9.783719      7.162447       9.351563      23.22263 10.35100 28.47643 11.20849 -5.253796      15.25691 
1 1 1 25 26 9  o 64.26232 4.831392 43.88859       6.207455      42.27332       8.749379      45.50386       8.806056      63.01849 6.941915 65.50616 6.721548 -2.487667      9.662784 
1 1 1 25 26 10 o 35.09785 8.969500 14.93416       8.437660      6.397319       10.61261      23.47101       13.12053      28.20120 11.63300 41.99450 13.65580 -13.79330      17.93900 
1 1 1 25 26 11 o 58.42062 5.984672 38.00844       7.032801      40.65805       11.28564      35.36591       8.395153      59.73413 9.446556 57.10710 7.350359 2.627037       11.96934 
1 1 1 25 26 12 f 35.37061 8.204741 15.18212       6.825224      15.81264       10.95975      14.55160       8.140111      35.88223 12.46301 34.85899 10.67447 1.023243       16.40948 
1 1 1 25 26 13 f 33.00178 8.340288 13.02134       7.268716      11.30689       11.73905      14.73580       8.565183      31.61523 12.52183 34.38834 11.02023 -2.773108      16.68058 
1 1 1 25 26 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 26 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 26 16 o 37.96387 6.810372 16.92491       6.276175      6.903862       10.05293      26.94242       7.509589      27.03924 11.24888 48.88850 7.680322 -21.84927      13.62074 
1 1 1 25 26 17 o 34.51023 7.562307 12.17829       8.076350      33.26181       11.14395      -8.905238      11.69654      48.82132 11.57423 20.19915 9.736070 28.62218       15.12461 
1 1 1 25 26 18 o 52.00029 5.799714 31.84491       5.826308      31.12229       9.075267      32.56753       7.311223      50.01748 9.417531 53.98311 6.771769 -3.965637      11.59943 
1 1 1 25 26 19 o 22.45955 6.686997 4.069347       5.287176      2.631190       8.451830      5.507504       6.350562      22.06543 9.748766 22.85366 9.155616 -0.7882328     13.37399 
1 1 1 25 26 20 o 20.65906 6.278030 2.090641       4.972623      -1.044966      7.863815      5.226249       6.084892      19.18310 8.833928 22.13502 8.922800 -2.951918      12.55606 
1 1 1 25 26 21 o 21.49636 6.292226 2.674406       5.042051      -3.640734      7.750463      8.990252       6.451162      17.48149 8.274885 25.51122 9.481282 -8.029726      12.58445 
1 1 1 25 26 22 o 23.29712 6.674518 6.657322       5.141234      3.499752       7.885069      9.812057       6.597811      20.84224 9.291176 25.75200 9.584925 -4.909761      13.34904 
1 1 1 25 27 0  o 14.41920 9.756111 -2.318763      7.984251      -2.318763      7.984251      -2.318763      7.984251      14.41920 9.756111 14.41920 9.756111 0.000000       0.000000 
1 1 1 25 27 1  o 92.66257 3.941050 89.19408       7.297054      84.44745       10.23004      93.94070       10.41424      90.13277 5.674985 95.19236 5.470104 -5.059586      7.882100 
1 1 1 25 27 2  o 20.54489 6.491215 -1.564970      5.449411      -2.462578      7.545012      -0.6679992     7.870899      19.78071 8.941844 21.30907 9.412063 -1.528360      12.98243 
1 1 1 25 27 3  o 67.08334 5.247444 48.43685       6.891819      40.50219       10.20170      56.37151       9.273635      60.95249 8.368572 73.21420 6.333220 -12.26171      10.49489 
1 1 1 25 27 4  o 34.44449 7.638804 13.92108       6.275465      21.65737       9.564099      6.187618       8.125941      42.32563 11.14414 26.56336 10.45052 15.76227       15.27761 
1 1 1 25 27 5  o 23.64837 7.233917 1.190907       6.361897      4.512838       9.273635      -2.131023      8.706873      26.02876 10.81476 21.26797 9.610371 4.760794       14.46783 
1 1 1 25 27 6  o 20.73223 6.784507 -4.701286      6.665114      -5.968707      9.004422      -3.433866      9.826226      19.66317 9.203939 21.80128 9.970237 -2.138111      13.56901 
1 1 1 25 27 7  o 28.31705 8.573694 4.796926       8.777717      -0.6804680     11.46984      10.27255       13.29056      24.67766 11.09710 31.95645 13.07239 -7.278786      17.14739 
1 1 1 25 27 8  o 60.40214 7.939080 44.31366       9.287803      40.20464       11.79572      48.41560       14.35323      58.15952 10.52746 62.64475 11.88648 -4.485233      15.87816 
1 1 1 25 27 9  o 42.79787 8.953445 23.26556       8.565183      22.94675       9.415324      23.59144       14.30364      43.59145 10.83327 42.00430 14.25822 1.587147       17.90689 
1 1 1 25 27 10 o 40.85780 9.122892 22.28081       8.636027      19.82957       9.344479      24.72497       14.52326      39.76674 11.24682 41.94887 14.36725 -2.182137      18.24578 
1 1 1 25 27 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 27 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 27 13 o 24.36213 7.393586 5.104395       6.521298      5.183033       10.18754      5.025048       8.140111      24.97789 10.88094 23.74637 10.01328 1.231520       14.78717 
1 1 1 25 27 14 o 30.16759 8.868942 10.66220       8.834394      12.01534       12.82298      9.316141       12.15703      31.08384 12.79874 29.25135 12.28108 1.832487       17.73788 
1 1 1 25 27 15 o 23.98567 7.204887 3.401277       6.534050      -0.7495420     10.64095      7.552096       7.587519      22.34725 10.28474 25.62409 10.09285 -3.276840      14.40977 
1 1 1 25 27 16 o 23.95539 6.949495 5.501128       5.362980      6.320807       8.480167      4.680741       6.568057      25.21563 10.39968 22.69514 9.221098 2.520483       13.89899 
1 1 1 25 27 17 o 32.54315 6.858215 13.70146       5.430991      7.630026       8.402238      19.77997       6.884026      25.58102 10.41743 39.50528 8.922872 -13.92427      13.71643 
1 1 1 25 27 18 o 17.82066 5.886136 -2.789175      5.175949      1.948242       8.232210      -7.523758      6.272632      21.24618 9.481750 14.39513 6.977305 6.851048       11.77227 
1 1 1 25 27 19 o 17.75068 5.838325 -1.682573      5.003087      2.779256       7.991336      -6.144402      6.019006      21.09210 9.379448 14.40926 6.954861 6.682847       11.67665 
1 1 1 25 27 20 o 54.71752 5.266574 36.71197       5.683908      34.86291       8.777717      38.56812       7.219123      51.84410 8.465493 57.59094 6.267586 -5.746845      10.53315 
1 1 1 25 27 21 o 21.51134 6.506966 5.588267       5.051970      5.004504       7.800055      6.172740       6.419281      21.26899 9.385172 21.75371 9.015595 -0.4847202     13.01393 
1 1 1 25 28 0  o 56.05407 8.439864 34.37408       9.025676      34.37408       9.025676      34.37408       9.025676      56.05407 8.439864 56.05407 8.439864 0.000000       0.000000 
1 1 1 25 28 1  o 67.76847 5.435831 49.97419       7.297054      53.26849       9.500339      46.68697       11.08727      70.64523 6.723978 64.89172 8.542901 5.753510       10.87166 
1 1 1 25 28 2  o 20.49469 6.677434 -4.791259      6.492960      -2.007752      8.118857      -7.573349      10.13795      20.59160 9.293765 20.39777 9.590540 0.1938324      13.35487 
1 1 1 25 28 3  o 26.38575 7.734507 4.749461       6.758630      5.331808       8.558097      4.167114       10.46383      26.04500 10.54760 26.72650 11.31541 -0.6814938     15.46901 
1 1 1 25 28 4  o 30.39010 7.365885 7.148279       6.643153      18.85190       8.933578      -4.562429      9.833311      39.40721 10.94907 21.37299 9.856110 18.03422       14.73177 
1 1 1 25 28 5  o 26.93809 8.039757 4.631149       7.530843      4.892568       8.969000      4.369022       12.09327      25.95184 10.69790 27.92434 12.00441 -1.972502      16.07951 
1 1 1 25 28 6  f 41.73792 8.424404 22.88299       7.545012      25.00835       9.649114      20.75764       11.60444      44.52898 10.90639 38.94685 12.84262 5.582134       16.84881 
1 1 1 25 28 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 28 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 28 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 28 10 o 39.39667 8.305057 22.62086       7.204955      19.82957       10.79680      25.40508       9.549930      35.97048 12.38188 42.82286 11.07181 -6.852383      16.61011 
1 1 1 25 28 11 o 26.68540 7.731931 6.964081       6.648112      10.79680       10.20879      3.134191       8.515590      29.92143 11.72986 23.44937 10.07678 6.472063       15.46386 
1 1 1 25 28 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 28 13 o 20.54715 6.587249 -0.6236501     5.916989      -1.342516      9.068183      0.9521592E-01  7.601687      20.88055 9.561161 20.21375 9.063752 0.6668091      13.17450 
1 1 1 25 28 14 o 20.45022 6.480939 0.1885190      5.518131      -0.6991711     8.338477      1.076138       7.226208      20.47062 9.306922 20.42982 9.021723 0.4079437E-01  12.96188 
1 1 1 25 28 15 o 29.39193 7.347716 11.38482       5.769631      6.807514       8.586436      15.95433       7.707955      24.95348 10.38956 33.83038 10.39292 -8.876902      14.69543 
1 1 1 25 28 16 o 21.65031 6.473349 1.193741       5.478457      -6.675741      8.140111      9.061099       7.332476      17.06582 8.200317 26.23479 10.01857 -9.168976      12.94670 
1 1 1 25 28 17 o 18.38163 6.015153 -1.366603      5.254587      1.049217       7.736294      -3.782424      7.112856      19.92023 9.027047 16.84303 7.952401 3.077192       12.03031 
1 1 1 25 28 18 o 19.47366 6.231647 0.8338477      5.287884      -1.798759      7.707955      3.466455       7.240376      18.15340 8.500535 20.79391 9.114527 -2.640507      12.46329 
1 1 1 25 28 19 o 24.04504 6.997919 8.487252       5.445868      7.481250       7.800055      9.493254       7.601687      23.23538 9.800043 24.85470 9.992129 -1.619316      13.99584 
1 1 1 25 29 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 29 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 29 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 29 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 29 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 29 5  o 42.47315 8.099485 26.77239       7.063973      29.06069       10.03876      24.47701       9.946663      44.78793 11.22008 40.15836 11.68403 4.629570       16.19897 
1 1 1 25 29 6  o 32.09646 7.141983 11.43441       6.297428      -0.3100893     9.039845      23.18763       8.770633      21.70019 9.799749 42.49272 10.39214 -20.79253      14.28397 
1 1 1 25 29 7  o 28.16455 7.639459 9.054014       6.111814      11.70362       8.848563      6.400862       8.430575      30.54221 11.13877 25.78688 10.45817 4.755329       15.27892 
1 1 1 25 29 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 29 9  o 19.85575 6.847590 -11.13686      8.756464      -11.90199      10.32923      -10.37882      14.14070      18.04241 8.798229 21.66909 10.49519 -3.626675      13.69518 
1 1 1 25 29 10 o 25.70923 7.220967 7.339560       5.535842      7.332476       7.722124      7.339560       7.934660      25.66308 10.15860 25.75539 10.26510 -0.9230423E-01 14.44193 
1 1 1 25 29 11 o 20.64611 6.479953 0.2311678      5.462872      -3.352394      7.743378      3.814305       7.707955      18.50374 8.614108 22.78848 9.682785 -4.284731      12.95991 
1 1 1 25 29 12 o 20.39408 6.522191 -0.9174450     5.919823      -4.868481      8.898154      3.034299       7.807138      18.82411 8.889779 21.96405 9.546083 -3.139942      13.04438 
1 1 1 25 29 13 o 21.76071 6.365767 -1.551509      5.654862      -14.33198      8.366816      11.22896       7.615856      14.98338 7.426623 28.53804 10.34105 -13.55466      12.73153 
1 1 1 25 29 14 o 19.78728 6.303745 -2.608519      6.131650      -9.195704      10.51342      3.978665       6.310889      18.45393 8.972243 21.12063 8.857067 -2.666698      12.60749 
1 1 1 25 29 15 o 16.66407 5.729747 -7.023591      6.075682      -8.565183      10.36465      -5.485542      6.347020      18.20442 8.865737 15.12372 7.260766 3.080702       11.45949 
1 1 1 25 29 16 o 25.57802 6.937251 7.452912       5.994919      2.033257       10.01042      12.87257       6.597104      21.53732 9.936682 29.61872 9.683190 -8.081392      13.87450 
1 1 1 25 29 17 o 19.82292 6.170844 2.117562       5.095185      -1.346058      8.040927      5.580475       6.257754      18.21614 8.557960 21.42969 8.892615 -3.213549      12.34169 
1 1 1 25 30 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 30 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 30 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 25 30 3  o 38.27503 9.974674 26.57403       10.60552      35.15338       18.65354      17.99467       10.08835      41.63859 15.95660 34.91148 11.97344 6.727108       19.94935 
1 1 1 25 30 4  o 30.30582 7.810565 11.32106       6.773507      4.768589       10.20879      17.87424       8.905238      24.92860 10.87555 35.68304 11.21348 -10.75445      15.62113 
1 1 1 25 30 5  o 19.15404 6.348503 -5.229791      6.285384      -9.528677      9.252379      -0.9287803     8.508506      17.73985 8.574242 20.56822 9.364633 -2.828363      12.69701 
1 1 1 25 30 6  o 34.51254 8.498588 17.91675       7.481250      26.82907       12.47583      9.004422       8.267632      41.66943 13.29479 27.35564 10.59021 14.31379       16.99718 
1 1 1 25 30 7  o 22.25617 6.867182 2.580890       5.773174      2.520671       8.664365      2.641108       7.630026      22.64123 9.947106 21.87110 9.470366 0.7701283      13.73436 
1 1 1 25 30 8  o 29.43737 7.451488 10.99517       6.252087      20.84974       9.585353      1.140607       8.033843      37.83966 11.58260 21.03508 9.377744 16.80457       14.90298 
1 1 1 25 30 9  o 20.82686 6.549598 1.103768       5.611646      -0.9039844     8.579351      3.110812       7.233293      20.20306 9.271392 21.45066 9.253659 -1.247604      13.09920 
1 1 1 25 30 10 o 39.16336 7.407819 22.18163       6.231542      30.83891       9.500339      13.52434       8.069265      47.67048 10.25849 30.65624 10.68956 17.01423       14.81564 
1 1 1 25 30 11 o 21.68200 6.575847 3.849018       5.128483      4.438450       6.938577      3.260295       7.552096      21.91245 9.242595 21.45156 9.356362 0.4608860      13.15169 
1 1 1 25 30 12 o 39.78728 6.824748 22.37999       5.553554      15.33798       7.615856      29.42200       8.083434      32.05798 10.40343 47.51659 8.836138 -15.45861      13.64950 
1 1 1 25 30 13 o 17.57502 5.710026 -3.673322      4.973331      4.229457       6.938577      -11.57610      7.127024      21.23070 9.108729 13.91934 6.888296 7.311368       11.42005 
1 1 1 25 30 14 o 24.41679 6.486159 6.480209       5.093768      14.80664       7.042719      -1.848351      7.360813      31.18477 9.992852 17.64881 8.271877 13.53596       12.97232 
1 1 1 25 30 15 o 21.80218 6.492782 5.192952       5.186575      1.817887       8.104689      8.565183       6.476666      19.61491 9.005586 23.98945 9.355441 -4.374533      12.98556 
1 1 1 25 31 0  o 13.72830 9.365151 -1.567095      7.566265      -1.567095      7.566265      -1.567095      7.566265      13.72830 9.365151 13.72830 9.365151 0.000000       0.000000 
1 1 1 25 31 1  o 18.50643 6.023859 -2.546175      5.259546      1.535215       7.431659      -6.627566      7.445828      20.58225 9.111299 16.43061 7.882368 4.151634       12.04772 
1 1 1 25 31 2  o 35.83062 7.262476 17.89549       5.735625      23.58436       8.225125      12.20662       7.991336      42.06989 9.924406 29.59135 10.60568 12.47854       14.52495 
1 1 1 25 31 3  o 21.25286 6.476092 1.547258       5.338184      7.353730       7.502505      -4.256378      7.594603      24.94676 9.969186 17.55897 8.268882 7.387794       12.95218 
1 1 1 25 31 4  o 22.33868 6.467635 1.200117       5.457912      11.92324       7.849646      -9.521592      7.587519      29.20266 10.50677 15.47470 7.545133 13.72796       12.93527 
1 1 1 25 31 5  o 28.09932 7.397756 10.95267       5.573390      9.429493       7.374983      12.47583       8.359732      26.70660 10.09157 29.49204 10.81977 -2.785440      14.79551 
1 1 1 25 31 6  f 26.89656 7.369864 9.691620       5.736334      6.801137       7.906322      12.57502       8.310139      24.35782 10.04305 29.43530 10.78873 -5.077484      14.73973 
1 1 1 25 31 7  o 32.30239 7.667006 15.66387       5.916989      15.98976       7.672533      15.34507       9.011506      33.16519 10.40574 31.43959 11.26288 1.725601       15.33401 
1 1 1 25 31 8  o 34.46342 7.354677 16.84698       6.825224      25.07211       7.885069      8.628942       11.14395      43.11735 9.404293 25.80949 11.31037 17.30786       14.70935 
1 1 1 25 31 9  o 23.89864 6.828480 6.094102       5.505378      11.44858       7.374983      0.7396237      8.175533      27.82046 10.16682 19.97681 9.118565 7.843651       13.65696 
1 1 1 25 31 10 o 22.27945 6.863945 4.334308       5.915572      9.188620       8.551013      -0.5167447     8.175533      25.36008 10.44840 19.19882 8.904269 6.161259       13.72789 
1 1 1 25 31 11 o 26.24882 6.915516 9.181536       5.647778      19.60286       8.558097      -1.239082      7.367898      34.55708 11.00976 17.94057 8.371536 16.61651       13.83103 
1 1 1 25 31 12 o 24.30467 7.075530 9.103605       5.563472      10.86057       8.366816      7.346645       7.332476      25.63646 10.41038 22.97288 9.585227 2.663578       14.15106 
1 1 1 25 32 0  o 13.58703 9.210424 -0.6101187     7.162447      -0.6101187     7.162447      -0.6101187     7.162447      13.58703 9.210424 13.58703 9.210424 0.000000       0.000000 
1 1 1 25 32 1  o 38.31141 7.091791 21.16146       5.528758      18.49767       7.559181      23.82524       8.069265      35.58271 10.13227 41.04011 9.925272 -5.457401      14.18358 
1 1 1 25 32 2  o 27.10431 7.062466 10.39299       5.321181      5.658404       7.452912      15.12545       7.601687      22.63152 9.564071 31.57711 10.39434 -8.945593      14.12493 
1 1 1 25 32 3  o 29.65445 7.417860 13.62353       5.576224      10.17337       7.396237      17.06660       8.345562      26.45553 10.07392 32.85337 10.89104 -6.397842      14.83572 
1 1 1 25 32 4  o 31.52977 7.220072 15.00501       5.352353      11.80989       7.686701      18.20721       7.445828      27.87551 10.35156 35.18402 10.06792 -7.308516      14.44014 
1 1 1 25 32 5  o 25.00650 6.782682 7.743378       5.272298      1.185240       7.467082      14.30364       7.438744      19.49485 8.848321 30.51814 10.28233 -11.02329      13.56536 
1 1 1 25 32 6  o 24.48757 6.823097 7.785885       5.259546      2.360561       7.304138      13.20554       7.566265      19.96331 8.919664 29.01183 10.32755 -9.048527      13.64619 
1 1 1 25 32 7  o 28.19248 7.307741 12.73796       5.456496      10.66220       7.757547      14.80664       7.679617      26.12091 10.22814 30.26405 10.44018 -4.143145      14.61548 
1 1 1 25 32 8  o 22.15201 6.651968 6.198245       5.156821      7.580434       7.261631      4.816764       7.325392      23.18481 9.597578 21.11922 9.213101 2.065588       13.30394 
1 1 1 26 0  0  f 379.8339 8.880566 1449.492       67.38085      1449.492       67.38085      1449.492       67.38085      379.8339 8.880566 379.8339 8.880566 0.000000       0.000000 
1 1 1 26 0  1  o 29.94933 11.23957 12.17120       6.262714      12.17120       6.262714      12.17120       6.262714      29.94933 11.23957 29.94933 11.23957 0.000000       0.000000 
1 1 1 26 0  2  o 197.9826 4.476241 393.1908       17.70421      393.1908       17.70421      393.1908       17.70421      197.9826 4.476241 197.9826 4.476241 0.000000       0.000000 
1 1 1 26 0  3  o 56.88562 6.424139 33.68688       7.148279      33.68688       7.148279      33.68688       7.148279      56.88562 6.424139 56.88562 6.424139 0.000000       0.000000 
1 1 1 26 0  4  o 226.0632 4.666055 512.6357       21.07644      512.6357       21.07644      512.6357       21.07644      226.0632 4.666055 226.0632 4.666055 0.000000       0.000000 
1 1 1 26 0  5  o 76.10371 4.607118 58.65981       6.959122      58.65981       6.959122      58.65981       6.959122      76.10371 4.607118 76.10371 4.607118 0.000000       0.000000 
1 1 1 26 0  6  o 115.8216 3.758259 134.7475       8.685618      134.7475       8.685618      134.7475       8.685618      115.8216 3.758259 115.8216 3.758259 0.000000       0.000000 
1 1 1 26 0  7  o 60.23609 5.079887 37.14413       6.036009      37.14413       6.036009      37.14413       6.036009      60.23609 5.079887 60.23609 5.079887 0.000000       0.000000 
1 1 1 26 0  8  o 216.9803 3.816216 471.9706       16.54943      471.9706       16.54943      471.9706       16.54943      216.9803 3.816216 216.9803 3.816216 0.000000       0.000000 
1 1 1 26 0  9  o 13.50169 8.726225 0.2591517      5.338184      0.2591517      5.338184      0.2591517      5.338184      13.50169 8.726225 13.50169 8.726225 0.000000       0.000000 
1 1 1 26 0  10 o 196.8594 3.740336 388.5858       14.71454      388.5858       14.71454      388.5858       14.71454      196.8594 3.740336 196.8594 3.740336 0.000000       0.000000 
1 1 1 26 0  11 o 165.4787 3.664446 274.6667       12.11453      274.6667       12.11453      274.6667       12.11453      165.4787 3.664446 165.4787 3.664446 0.000000       0.000000 
1 1 1 26 0  12 o 72.33031 4.712503 53.11971       6.757921      53.11971       6.757921      53.11971       6.757921      72.33031 4.712503 72.33031 4.712503 0.000000       0.000000 
1 1 1 26 0  13 o 190.0389 4.566979 362.7981       17.33581      362.7981       17.33581      362.7981       17.33581      190.0389 4.566979 190.0389 4.566979 0.000000       0.000000 
1 1 1 26 0  14 f 208.6539 4.639748 437.3981       19.34073      437.3981       19.34073      437.3981       19.34073      208.6539 4.639748 208.6539 4.639748 0.000000       0.000000 
1 1 1 26 0  15 o 38.00134 9.265900 16.91074       6.095519      16.91074       6.095519      16.91074       6.095519      38.00134 9.265900 38.00134 9.265900 0.000000       0.000000 
1 1 1 26 0  16 o 15.51578 9.559218 2.157236       5.648486      2.157236       5.648486      2.157236       5.648486      15.51578 9.559218 15.51578 9.559218 0.000000       0.000000 
1 1 1 26 0  17 o 215.5365 7.280664 470.5537       31.30648      470.5537       31.30648      470.5537       31.30648      215.5365 7.280664 215.5365 7.280664 0.000000       0.000000 
1 1 1 26 0  18 o 70.19794 4.985157 50.22215       6.927950      50.22215       6.927950      50.22215       6.927950      70.19794 4.985157 70.19794 4.985157 0.000000       0.000000 
1 1 1 26 0  19 o 97.00767 7.169336 96.56198       13.75813      96.56198       13.75813      96.56198       13.75813      97.00767 7.169336 97.00767 7.169336 0.000000       0.000000 
1 1 1 26 0  20 o 11.24843 7.921795 -6.138027      6.517048      -6.138027      6.517048      -6.138027      6.517048      11.24843 7.921795 11.24843 7.921795 0.000000       0.000000 
1 1 1 26 0  21 f 12.56944 8.730823 -4.918780      7.204955      -4.918780      7.204955      -4.918780      7.204955      12.56944 8.730823 12.56944 8.730823 0.000000       0.000000 
1 1 1 26 0  22 o 23.99921 14.01932 7.906322       10.99517      7.906322       10.99517      7.906322       10.99517      23.99921 14.01932 23.99921 14.01932 0.000000       0.000000 
1 1 1 26 0  23 o 11.62278 8.127954 -5.468539      6.625441      -5.468539      6.625441      -5.468539      6.625441      11.62278 8.127954 11.62278 8.127954 0.000000       0.000000 
1 1 1 26 0  24 o 86.38444 4.754119 75.80434       8.161365      75.80434       8.161365      75.80434       8.161365      86.38444 4.754119 86.38444 4.754119 0.000000       0.000000 
1 1 1 26 0  25 o 12.40134 8.482113 -2.950702      6.285384      -2.950702      6.285384      -2.950702      6.285384      12.40134 8.482113 12.40134 8.482113 0.000000       0.000000 
1 1 1 26 0  26 o 21.98579 11.36710 7.502505       6.362606      7.502505       6.362606      7.502505       6.362606      21.98579 11.36710 21.98579 11.36710 0.000000       0.000000 
1 1 1 26 0  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 0  28 f 19.81473 10.95928 5.980750       6.252087      5.980750       6.252087      5.980750       6.252087      19.81473 10.95928 19.81473 10.95928 0.000000       0.000000 
1 1 1 26 0  29 o 81.07010 4.810948 67.31001       7.743378      67.31001       7.743378      67.31001       7.743378      81.07010 4.810948 81.07010 4.810948 0.000000       0.000000 
1 1 1 26 0  30 o 9.596021 6.922579 -8.040927      5.926199      -8.040927      5.926199      -8.040927      5.926199      9.596021 6.922579 9.596021 6.922579 0.000000       0.000000 
1 1 1 26 0  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 0  32 o 52.34476 7.058342 29.52827       7.297054      29.52827       7.297054      29.52827       7.297054      52.34476 7.058342 52.34476 7.058342 0.000000       0.000000 
1 1 1 26 0  33 o 20.30261 11.01645 7.105771       6.201078      7.105771       6.201078      7.105771       6.201078      20.30261 11.01645 20.30261 11.01645 0.000000       0.000000 
1 1 1 26 0  34 o 9.619297 6.931142 -7.000212      5.849687      -7.000212      5.849687      -7.000212      5.849687      9.619297 6.931142 9.619297 6.931142 0.000000       0.000000 
1 1 1 26 0  35 o 33.85860 10.64643 16.35815       6.312305      16.35815       6.312305      16.35815       6.312305      33.85860 10.64643 33.85860 10.64643 0.000000       0.000000 
1 1 1 26 0  36 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 1  0  o 15.46693 9.698408 1.576305       6.063639      1.576305       6.063639      1.576305       6.063639      15.46693 9.698408 15.46693 9.698408 0.000000       0.000000 
1 1 1 26 1  1  o 160.1792 4.281340 257.3097       13.71563      257.3097       13.71563      ?              ?             160.1792 4.281340 ?        ?        ?              ?        
1 1 1 26 1  2  o 119.6931 3.131567 143.7449       7.495420      148.1373       10.78264      139.3525       10.42133      121.5217 4.436508 117.8646 4.420887 3.657005       6.263134 
1 1 1 26 1  3  o 145.2098 2.799449 211.5437       8.090520      199.1458       12.03660      224.0125       10.82514      140.9092 4.271048 149.5105 3.620196 -8.601288      5.598899 
1 1 1 26 1  4  o 96.21782 3.065208 92.87803       5.891485      91.67366       8.926493      94.08241       7.693786      95.56934 4.670166 96.86630 3.971343 -1.296967      6.130417 
1 1 1 26 1  5  o 129.6175 2.802806 168.6824       7.311223      180.3010       11.47692      157.0638       9.061099      134.0566 4.280625 125.1784 3.619273 8.878143       5.605612 
1 1 1 26 1  6  o 148.1544 2.796469 220.1868       8.288886      221.6037       12.82298      218.6991       10.51342      148.6013 4.314557 147.7074 3.558870 0.8939819      5.592938 
1 1 1 26 1  7  o 151.3297 2.798715 229.7509       8.458915      225.2877       12.87965      234.2142       10.95975      149.8169 4.298464 152.8425 3.585307 -3.025620      5.597430 
1 1 1 26 1  8  o 114.5781 2.924877 131.7720       6.689910      129.3633       10.27963      134.1808       8.565183      113.4893 4.528903 115.6669 3.702520 -2.177673      5.849753 
1 1 1 26 1  9  o 206.1932 2.937900 426.8422       12.14286      437.3273       18.96525      416.4279       15.17504      208.6388 4.544998 203.7476 3.723979 4.891159       5.875801 
1 1 1 26 1  10 o 27.46637 5.858801 6.421407       4.064388      0.3241167      6.149361      12.51834       5.316222      20.47172 8.671203 34.46101 7.881145 -13.98929      11.71760 
1 1 1 26 1  11 o 50.13313 4.600212 25.39800       4.592893      24.30698       6.983210      26.48193       5.967998      49.00992 7.124281 51.25634 5.821717 -2.246414      9.200423 
1 1 1 26 1  12 o 156.3462 2.862139 245.4785       8.926493      237.9690       13.60227      252.9881       11.55485      153.8941 4.419362 158.7983 3.638215 -4.904221      5.724278 
1 1 1 26 1  13 o 126.1681 2.959932 159.9684       7.495420      165.7777       11.69654      154.2299       9.372816      128.3897 4.555093 123.9464 3.780995 4.443230       5.919865 
1 1 1 26 1  14 f 125.5662 2.976143 158.4807       7.459997      161.9521       9.691620      155.0801       11.34231      126.9858 3.816026 124.1466 4.568113 2.839165       5.952286 
1 1 1 26 1  15 f 29.17676 6.326547 8.692703       4.078557      7.325392       5.878733      10.05293       5.654862      27.41846 9.140779 30.93506 8.749110 -3.516607      12.65309 
1 1 1 26 1  16 o 102.8429 2.774648 106.3386       5.725707      111.6520       8.728126      101.0252       7.410406      105.3861 4.141023 100.2996 3.694134 5.086494       5.549297 
1 1 1 26 1  17 o 57.19032 4.763998 33.26889       5.483417      31.58987       6.522007      34.94084       8.813140      55.86357 5.837441 58.51706 7.530403 -2.653484      9.527995 
1 1 1 26 1  18 o 118.2102 2.723505 140.4860       6.427074      143.2489       8.380984      137.6522       9.748297      119.4382 3.508503 116.9822 4.166573 2.455994       5.447010 
1 1 1 26 1  19 o 92.45552 4.031006 86.57281       7.467082      85.36844       7.304138      87.77718       13.02843      92.11213 3.964808 92.79891 7.019710 -0.6867828     8.062012 
1 1 1 26 1  20 o 49.05296 5.338030 25.05086       4.955620      28.22472       5.934701      21.87699       7.934660      52.80061 5.619917 45.30531 9.077157 7.495300       10.67606 
1 1 1 26 1  21 o 35.02695 7.344386 13.10636       5.532300      13.70146       7.417490      12.51834       8.210957      35.64276 10.00096 34.41113 10.75829 1.231628       14.68877 
1 1 1 26 1  22 o 113.0809 3.469712 130.0717       7.821308      115.0526       10.86057      145.0909       11.26438      106.4685 5.100368 119.6934 4.705515 -13.22495      6.939425 
1 1 1 26 1  23 o 166.9401 2.865947 281.2554       9.571183      274.6667       13.43933      287.7731       13.62353      164.9875 4.072833 168.8927 4.033191 -3.905167      5.731893 
1 1 1 26 1  24 o 33.91938 6.332869 12.27038       4.723957      5.616605       6.731709      18.92275       6.628983      25.83059 9.668252 42.00817 8.182043 -16.17759      12.66574 
1 1 1 26 1  25 o 19.93518 6.083019 -0.5170990     4.495126      2.052385       6.438409      -3.086725      6.275465      21.98729 9.063817 17.88306 8.115398 4.104231       12.16604 
1 1 1 26 1  26 o 34.46877 5.680206 12.66003       4.552511      23.18763       6.635359      2.141650       6.235084      47.23314 7.024051 21.70439 8.928699 25.52875       11.36041 
1 1 1 26 1  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 1  28 o 58.65953 4.464444 36.42150       5.119981      26.94242       7.098687      45.90059       7.374983      50.62424 7.011155 66.69483 5.528902 -16.07059      8.928888 
1 1 1 26 1  29 o 20.53184 6.011367 1.009544       4.259212      -2.867104      6.004838      4.886192       6.040968      17.28484 7.869021 23.77883 9.089809 -6.493994      12.02273 
1 1 1 26 1  30 o 55.17203 4.332078 32.29832       4.767881      29.10320       6.650945      35.48635       6.833017      52.32305 6.355655 58.02100 5.888401 -5.697948      8.664157 
1 1 1 26 1  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 1  32 o 78.06287 3.901119 65.28384       6.055846      74.17490       8.699788      56.40693       8.430575      83.67187 5.198753 72.45387 5.817893 11.21800       7.802238 
1 1 1 26 1  33 o 22.42083 6.197872 5.083850       4.045260      4.162862       5.076057      6.004838       6.298845      21.04836 8.266395 23.79330 9.236947 -2.744940      12.39574 
1 1 1 26 1  34 o 39.46986 5.419096 18.75272       4.135233      21.94784       5.450828      15.56469       6.220206      44.25690 6.158168 34.68281 8.918710 9.574085       10.83819 
1 1 1 26 1  35 o 17.73344 5.499728 0.6739502      3.900027      3.239042       5.070390      -1.890858      5.926908      19.17062 7.982952 16.29625 7.567067 2.874374       10.99946 
1 1 1 26 2  0  o 219.4984 4.595742 483.2350       20.15545      483.2350       20.15545      483.2350       20.15545      219.4984 4.595742 219.4984 4.595742 0.000000       0.000000 
1 1 1 26 2  1  f 185.9397 3.102105 346.9288       11.54068      360.3894       16.69821      333.4682       15.93308      189.5459 4.404793 182.3335 4.369214 7.212418       6.204211 
1 1 1 26 2  2  o 134.7317 3.033795 182.1430       8.175533      174.7751       11.43441      189.5109       11.68237      132.0017 4.331160 137.4617 4.249319 -5.459946      6.067591 
1 1 1 26 2  3  o 79.37926 3.583961 63.54104       5.676824      55.20256       7.771716      71.90786       8.274716      74.12863 5.242048 84.62988 4.888768 -10.50124      7.167923 
1 1 1 26 2  4  o 138.3164 2.806203 191.8487       7.771716      194.6825       11.99409      189.0149       9.889987      139.3046 4.304986 137.3281 3.600860 1.976501       5.612405 
1 1 1 26 2  5  o 111.0899 2.908658 124.0499       6.510672      135.3143       10.18754      112.7855       8.104689      116.1207 4.386615 106.0592 3.820834 10.06154       5.817316 
1 1 1 26 2  6  o 65.49910 3.707514 43.15180       4.871314      45.24882       7.403321      41.06187       6.331434      67.07003 5.519098 63.92817 4.951991 3.141865       7.415029 
1 1 1 26 2  7  o 158.7410 2.804708 252.8464       8.912323      256.1053       13.74396      249.5167       11.35648      159.7302 4.302243 157.7517 3.599481 1.978546       5.609416 
1 1 1 26 2  8  o 50.53635 5.885734 0.000000       0.000000      ?              ?             25.73097       5.948870      ?        ?        50.53635 5.885734 ?              ?        
1 1 1 26 2  9  o 52.43941 4.392675 27.75714       4.587225      26.48193       6.952037      29.02527       5.985709      51.19302 6.790024 53.68579 5.574761 -2.492775      8.785351 
1 1 1 26 2  10 o 61.92058 3.901402 38.83024       4.748752      32.98552       7.083809      44.67497       6.325766      57.17705 6.194627 66.66411 4.744507 -9.487057      7.802804 
1 1 1 26 2  11 o 68.68124 3.684543 47.88425       5.109354      56.73990       8.033843      39.03569       6.312305      75.07249 5.350724 62.28998 5.066871 12.78252       7.369086 
1 1 1 26 2  12 o 200.7459 2.704916 404.5260       10.85348      393.8992       15.30256      415.1527       15.40883      198.1016 3.862301 203.3902 3.787997 -5.288605      5.409832 
1 1 1 26 2  13 o 79.00940 3.237846 63.12305       5.081725      53.97694       7.119940      72.26208       7.254546      73.22792 4.861493 84.79087 4.277905 -11.56295      6.475692 
1 1 1 26 2  14 o 115.1644 3.034307 133.4015       6.975416      135.6685       9.011506      131.0636       10.65512      116.2164 3.877036 114.1124 4.668691 2.103996       6.068615 
1 1 1 26 2  15 o 104.2128 3.243346 109.3850       6.711873      116.4695       8.657280      102.3004       10.25838      107.6653 4.020460 100.7603 5.090488 6.905014       6.486692 
1 1 1 26 2  16 o 22.04865 6.670574 0.5724290E-01  5.256712      1.931240       8.168448      -1.816470      6.615522      24.54532 10.17112 19.55198 8.633339 4.993340       13.34115 
1 1 1 26 2  17 o 79.66013 3.211761 63.92360       5.117147      63.69690       6.726750      64.15739       7.715039      79.55576 4.227695 79.76448 4.836137 -0.2087173     6.423522 
1 1 1 26 2  18 f 143.8214 2.610869 207.8598       7.495420      211.7562       9.819141      203.8924       11.33523      145.2359 3.380411 142.4070 3.979871 2.828903       5.221738 
1 1 1 26 2  19 o 37.62209 5.703012 14.98375       4.285425      20.89933       5.550720      9.068183       6.530509      45.38270 6.115458 29.86149 9.628011 15.52121       11.40602 
1 1 1 26 2  20 o 96.21225 3.182293 93.51564       6.108272      102.3713       8.742295      84.65999       8.536844      100.8053 4.336228 91.61921 4.658872 9.186081       6.364587 
1 1 1 26 2  21 o 81.04694 3.611290 66.76450       5.875190      58.52520       7.644195      75.02505       8.926493      76.03688 5.026636 86.05698 5.186385 -10.02010      7.222579 
1 1 1 26 2  22 f 46.65895 5.963534 24.31407       5.184450      37.12288       6.885443      11.49817       7.750463      60.36922 5.702777 32.94868 10.47537 27.42054       11.92707 
1 1 1 26 2  23 o 52.35936 4.860602 28.13970       5.093060      29.37241       7.389152      26.89991       7.008713      53.50419 6.905209 51.21452 6.842507 2.289673       9.721204 
1 1 1 26 2  24 o 94.14889 3.045510 89.68999       5.731375      89.26492       8.763549      90.04422       7.389152      93.85101 4.668862 94.44676 3.911808 -0.5957489     6.091019 
1 1 1 26 2  25 o 56.49612 5.403297 33.66563       5.727833      29.86833       9.535762      37.47001       6.352687      52.35948 9.451927 60.63276 5.238659 -8.273277      10.80659 
1 1 1 26 2  26 o 46.55478 5.331382 22.98926       4.851478      24.91625       6.946370      21.06227       6.774216      48.92664 7.098761 44.18293 7.956264 4.743706       10.66276 
1 1 1 26 2  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 2  28 o 90.28180 3.090334 83.17223       5.575515      84.51830       7.445828      81.82619       8.295970      91.12611 4.085453 89.43748 4.637860 1.688629       6.180669 
1 1 1 26 2  29 o 30.19167 6.321609 10.24421       4.096977      10.59135       5.574099      9.897071       6.005546      30.66545 8.690761 29.71788 9.182683 0.9475689      12.64322 
1 1 1 26 2  30 o 33.49963 6.136598 12.88674       4.322264      16.86115       5.736334      8.919409       6.466040      38.80744 7.663539 28.19182 9.586528 10.61562       12.27320 
1 1 1 26 2  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 2  32 f 25.26128 6.436999 6.517048       4.430658      9.528677       5.625107      3.503294       6.847895      28.21070 8.919665 22.31186 9.283287 5.898840       12.87400 
1 1 1 26 2  33 o 53.28897 4.431996 31.21438       4.704120      32.09286       6.113231      30.33591       7.148279      54.52115 5.606293 52.05680 6.865845 2.464348       8.863993 
1 1 1 26 2  34 o 60.09050 3.810813 39.60246       4.601394      35.21714       5.939660      43.98777       7.029259      56.91261 5.218228 63.26838 5.555112 -6.355770      7.621625 
1 1 1 26 2  35 o 18.93532 5.786556 2.472497       4.016922      1.389274       5.253170      3.555720       6.077808      17.70468 7.762006 20.16596 8.584181 -2.461279      11.57311 
1 1 1 26 3  0  o 23.09024 11.41201 7.962997       6.271215      7.962997       6.271215      7.962997       6.271215      23.09024 11.41201 23.09024 11.41201 0.000000       0.000000 
1 1 1 26 3  1  o 39.53581 6.092993 16.45025       4.689950      14.69329       6.654488      18.20012       6.610563      37.34207 9.002220 41.72955 8.213300 -4.387474      12.18599 
1 1 1 26 3  2  o 234.5367 3.328099 552.2382       15.61428      538.9901       21.66446      565.4153       22.49334      231.7364 4.674376 237.3371 4.738692 -5.600677      6.656199 
1 1 1 26 3  3  o 146.3886 3.008919 215.0151       8.806056      218.2032       12.51834      211.7562       12.39791      147.4874 4.243868 145.2899 4.266611 2.197571       6.017839 
1 1 1 26 3  4  o 197.4358 3.140885 391.4196       12.40499      371.2287       17.02410      411.6813       18.05844      192.3342 4.425654 202.5374 4.458051 -10.20314      6.281770 
1 1 1 26 3  5  o 102.6023 3.030783 105.6302       6.201787      102.1587       9.394071      109.1724       8.097604      100.8673 4.656649 104.3374 3.880491 -3.470070      6.061566 
1 1 1 26 3  6  o 263.8826 3.240009 699.3836       17.08077      690.1029       26.04269      708.4518       22.10369      262.0548 4.968939 265.7104 4.159359 -3.655548      6.480017 
1 1 1 26 3  7  o 102.7337 3.027950 106.0552       6.182659      99.25409       9.351563      112.8564       8.090520      99.39555 4.704216 106.0719 3.813694 -6.676384      6.055900 
1 1 1 26 3  8  o 145.0319 2.805610 211.0478       8.147196      213.6691       12.55377      208.4974       10.38590      145.8760 4.302889 144.1878 3.601519 1.688217       5.611220 
1 1 1 26 3  9  o 72.99541 3.539348 53.59438       5.175241      54.80583       7.948828      52.39001       6.632525      73.78497 5.386483 72.20585 4.592790 1.579117       7.078695 
1 1 1 26 3  10 o 48.23035 5.380694 25.14295       4.649569      14.11236       6.948495      36.17355       6.179825      36.50276 9.447182 59.95794 5.153467 -23.45518      10.76139 
1 1 1 26 3  11 o 123.6598 2.633983 153.4507       6.516339      157.6305       9.415324      149.2708       9.011506      125.3409 3.755885 121.9787 3.693885 3.362236       5.267966 
1 1 1 26 3  12 o 213.4737 2.734642 457.6599       11.67529      438.1775       16.20938      477.1423       16.81156      208.9254 3.879225 218.0220 3.855473 -9.096619      5.469284 
1 1 1 26 3  13 o 51.96905 4.583367 27.33207       4.751586      27.64379       5.435242      27.02035       7.792970      52.37619 5.188658 51.56190 7.556907 0.8142815      9.166734 
1 1 1 26 3  14 o 89.77740 3.383611 81.11773       6.081350      80.62181       6.933618      81.68449       9.989170      89.58919 3.869673 89.96563 5.551659 -0.3764420     6.767221 
1 1 1 26 3  15 o 75.79778 3.684524 58.00803       5.649195      53.47394       6.460372      62.53504       9.266549      72.91606 4.430006 78.67948 5.888796 -5.763420      7.369049 
1 1 1 26 3  16 o 23.66790 6.886119 0.9684536      5.506795      -2.895442      8.352647      4.831641       7.176617      21.51434 9.577528 25.82145 9.896742 -4.307110      13.77224 
1 1 1 26 3  17 o 21.81433 6.371981 1.803718       4.591476      -0.7885069     5.149736      4.395235       7.601687      17.77432 7.739519 25.85435 10.12465 -8.080023      12.74396 
1 1 1 26 3  18 o 21.81298 6.252567 2.124647       4.316597      -0.9882902E-01 5.396277      4.347769       6.739501      18.79169 8.046582 24.83427 9.572404 -6.042587      12.50513 
1 1 1 26 3  19 o 95.82393 2.927557 92.66550       5.647778      83.03055       7.119940      102.3713       8.770633      90.84568 3.918701 100.8022 4.350419 -9.956490      5.855114 
1 1 1 26 3  20 o 194.0110 2.817646 378.8092       10.93141      374.3459       15.25297      383.2724       15.67095      192.8774 3.954057 195.1446 4.015215 -2.267166      5.635293 
1 1 1 26 3  21 o 79.78540 8.923864 66.24024       14.23988      66.24024       14.23988      ?              ?             79.78540 8.923864 ?        ?        ?              ?        
1 1 1 26 3  22 o 114.0947 2.819446 131.3470       6.423533      132.6930       7.955913      130.0009       10.08835      114.8037 3.465008 113.3857 4.448688 1.417969       5.638892 
1 1 1 26 3  23 o 121.6697 2.609805 149.1999       6.317973      155.2218       7.849646      143.1781       9.897071      124.2472 3.158883 119.0923 4.155211 5.154884       5.219609 
1 1 1 26 3  24 o 112.7233 2.603711 128.1589       5.880150      126.1044       7.318307      130.2134       9.202788      111.9206 3.269420 113.5260 4.053164 -1.605415      5.207422 
1 1 1 26 3  25 o 77.86247 3.089522 61.45111       4.811096      61.64239       6.802555      61.25274       6.805388      77.98780 4.361294 77.73714 4.377180 0.2506638      6.179044 
1 1 1 26 3  26 o 26.83595 6.204695 7.488335       3.873106      5.903528       5.326140      9.075267       5.624399      24.67466 8.676801 28.99725 8.871646 -4.322590      12.40939 
1 1 1 26 3  27 o 29.15723 6.677742 9.224042       4.454036      10.24421       6.510672      8.196787       6.079933      30.49010 9.589339 27.82435 9.295886 2.665747       13.35548 
1 1 1 26 3  28 o 48.45053 4.365414 24.70371       4.189075      29.74789       6.121023      19.66662       5.720748      53.58483 5.711526 43.31622 6.603471 10.26861       8.730828 
1 1 1 26 3  29 o 59.74178 3.596392 36.91034       4.293218      34.24656       5.979333      39.56703       6.162114      57.54476 5.195376 61.93881 4.974356 -4.394051      7.192784 
1 1 1 26 3  30 o 30.13020 6.092830 10.41424       3.876648      11.71779       5.494043      9.110690       5.471373      31.94817 8.462294 28.31224 8.768119 3.635933       12.18566 
1 1 1 26 3  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 3  32 o 35.24972 5.996794 14.90582       4.225206      18.14345       6.055138      11.66820       5.893611      39.50257 7.943565 30.99686 8.985874 8.505707       11.99359 
1 1 1 26 3  33 o 45.79950 4.503006 23.25139       4.108312      26.72280       6.002004      19.78706       5.610230      49.42742 6.071532 42.17158 6.651671 7.255840       9.006011 
1 1 1 26 3  34 o 22.46734 5.894837 5.623690       3.662696      8.402238       5.277966      2.847268       5.080307      25.70101 8.661142 19.23367 7.998814 6.467344       11.78967 
1 1 1 26 3  35 o 39.39816 5.160897 19.06444       3.982916      21.30314       5.811430      16.83282       5.448702      42.29992 6.869316 36.49639 7.704022 5.803532       10.32179 
1 1 1 26 4  0  o 209.6704 4.532418 441.0112       18.98651      441.0112       18.98651      441.0112       18.98651      209.6704 4.532418 209.6704 4.532418 0.000000       0.000000 
1 1 1 26 4  1  o 138.3609 3.041594 192.0613       8.416408      194.6117       11.88074      189.5109       11.92324      139.2834 4.264952 137.4384 4.337667 1.844910       6.083188 
1 1 1 26 4  2  o 82.22360 3.465058 67.89802       5.699495      66.88493       7.913406      68.91111       8.203872      81.61384 4.848079 82.83337 4.952033 -1.219536      6.930115 
1 1 1 26 4  3  o 64.93146 4.018245 42.65588       5.206412      36.15938       7.051221      49.15238       7.658363      59.94450 5.881457 69.91842 5.476643 -9.973915      8.036489 
1 1 1 26 4  4  o 124.4950 3.065193 155.5760       7.630026      156.4261       10.81097      154.6550       10.77555      124.8499 4.329589 124.1400 4.340080 0.7098694      6.130386 
1 1 1 26 4  5  o 56.43328 4.439952 32.12120       5.014421      30.15879       6.856396      34.09070       7.318307      54.70573 6.266616 58.16083 6.291440 -3.455101      8.879904 
1 1 1 26 4  6  o 191.9284 3.142497 369.8827       12.06493      365.3486       16.87532      374.4168       17.24372      190.7557 4.423282 193.1011 4.464944 -2.345474      6.284994 
1 1 1 26 4  7  o 226.5455 3.038966 515.4695       13.72271      493.7909       20.58761      537.2189       18.15053      221.6967 4.643194 231.3944 3.921991 -9.697739      6.077932 
1 1 1 26 4  8  f 104.5356 3.010344 109.7392       6.283967      107.1888       9.479085      112.2896       8.246379      103.2862 4.588747 105.7851 3.897703 -2.498894      6.020689 
1 1 1 26 4  9  o 90.06686 2.971976 81.54280       5.346686      76.15857       7.495420      86.92703       7.630026      87.08113 4.303699 93.05259 4.099846 -5.971458      5.943952 
1 1 1 26 4  10 o 204.7534 3.030237 421.1037       12.39082      426.7713       15.72054      415.3653       19.15654      206.2322 3.811371 203.2747 4.711984 2.957504       6.060473 
1 1 1 26 4  11 o 92.07368 3.244524 85.22675       6.003421      82.81801       6.752962      87.63548       9.925409      90.85260 3.716439 93.29475 5.319383 -2.442154      6.489048 
1 1 1 26 4  12 o 34.32708 6.369515 12.49000       4.490167      11.46275       5.293552      13.51017       7.254546      32.92287 8.087037 35.73129 9.842903 -2.808411      12.73903 
1 1 1 26 4  13 o 39.73475 6.602288 17.91675       5.608813      9.110690       4.933658      26.72280       10.07418      29.44090 8.120228 50.02859 10.41262 -20.58769      13.20458 
1 1 1 26 4  14 o 30.55001 6.640767 9.521592       4.541884      9.528677       5.311263      9.514507       7.367898      30.12079 8.466393 30.97923 10.23325 -0.8584347     13.28153 
1 1 1 26 4  15 o 237.3328 3.100702 567.1157       14.88457      530.0636       16.37232      604.1677       24.85957      229.7997 3.562302 244.8658 5.076163 -15.06604      6.201405 
1 1 1 26 4  16 o 101.0600 3.289716 102.8672       6.656613      101.2378       8.473083      104.5675       10.27255      100.3084 4.223518 101.8116 5.044881 -1.503258      6.579432 
1 1 1 26 4  17 o 63.58617 4.147748 40.94851       5.213497      43.47060       6.147236      38.41934       8.423491      65.68462 4.679358 61.48772 6.849735 4.196907       8.295497 
1 1 1 26 4  18 o 105.3960 4.220550 112.7147       8.551013      124.1916       7.105771      101.3086       15.55760      111.2357 3.194015 99.55621 7.813477 11.67951       8.441099 
1 1 1 26 4  19 o 24.68731 5.923708 4.595018       3.929073      8.954830       4.904612      0.2388191      6.140152      29.11298 8.120536 20.26164 8.626597 8.851341       11.84742 
1 1 1 26 4  20 o 87.82968 3.124100 77.92970       5.411863      85.58098       6.811056      70.29967       8.409323      92.25085 3.691595 83.40852 5.041045 8.842323       6.248200 
1 1 1 26 4  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 4  22 o 83.26748 3.166968 70.13673       5.292135      67.64297       6.556013      72.61631       8.310139      81.88271 4.003295 84.65224 4.908399 -2.769531      6.333937 
1 1 1 26 4  23 o 73.64461 3.266984 54.89084       4.823140      53.50228       5.907071      56.28649       7.630026      72.81036 4.056477 74.47884 5.122277 -1.668480      6.533967 
1 1 1 26 4  24 o 32.50793 5.970502 11.49817       3.940409      10.15920       4.972623      12.84423       6.114647      30.67789 8.016363 34.33798 8.850170 -3.660089      11.94100 
1 1 1 26 4  25 f 22.55718 6.080755 3.578390       3.954578      5.256712       4.824557      1.899359       6.266964      23.51716 8.259284 21.59721 8.926732 1.919949       12.16151 
1 1 1 26 4  26 o 45.93537 5.272852 22.64212       4.731750      18.03718       6.215247      27.23997       7.134109      40.76526 7.905342 51.10548 6.979789 -10.34022      10.54570 
1 1 1 26 4  27 o 68.36122 3.371341 47.79216       4.603519      49.98127       6.441244      45.61013       6.577975      69.97570 4.602487 66.74674 4.927563 3.228958       6.742682 
1 1 1 26 4  28 o 26.05080 6.143657 7.148279       3.785258      8.543928       5.437367      5.754754       5.267339      27.91578 8.760103 24.18583 8.616186 3.729958       12.28731 
1 1 1 26 4  29 o 34.46844 5.799782 13.40391       3.947494      13.90691       5.345269      12.90091       5.810721      35.28149 7.784050 33.65541 8.599909 1.626080       11.59956 
1 1 1 26 4  30 o 42.57081 5.014392 19.92166       4.111146      15.49384       5.686742      24.35657       5.937534      37.11315 7.897370 48.02847 6.181265 -10.91532      10.02878 
1 1 1 26 4  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 4  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 4  33 o 43.25651 4.929236 21.52276       4.089892      26.55986       5.939660      16.49276       5.625107      49.24418 6.030825 37.26884 7.798630 11.97533       9.858473 
1 1 1 26 4  34 f 22.56545 5.807760 5.688868       3.588309      2.498709       5.054803      8.876901       5.094476      18.81584 7.910318 26.31507 8.505713 -7.499226      11.61552 
1 1 1 26 4  35 o 38.98285 5.396399 19.13528       4.062263      19.99959       6.009089      18.27806       5.467831      39.64071 7.858843 38.32499 7.397505 1.315716       10.79280 
1 1 1 26 5  0  o 36.66025 10.26828 16.33690       6.508547      16.33690       6.508547      16.33690       6.508547      36.66025 10.26828 36.66025 10.26828 0.000000       0.000000 
1 1 1 26 5  1  o 205.8888 3.195978 425.4961       13.16303      432.3681       18.71021      418.6950       18.51184      207.5449 4.507510 204.2327 4.532048 3.312210       6.391956 
1 1 1 26 5  2  f 121.6643 3.115907 148.5623       7.580434      148.7040       10.73304      148.4207       10.71179      121.7221 4.408831 121.6065 4.404283 0.1155701      6.231814 
1 1 1 26 5  3  o 202.4600 3.198750 411.5396       12.95050      405.4470       18.22846      417.6323       18.40558      200.9592 4.535364 203.9608 4.512038 -3.001587      6.397501 
1 1 1 26 5  4  o 216.2798 3.250952 469.7744       14.06277      470.4120       19.73038      469.0659       20.04210      216.4426 4.557879 216.1171 4.636861 0.3254700      6.501903 
1 1 1 26 5  5  o 104.4956 3.221475 109.6683       6.733834      108.0389       9.386987      111.2978       9.656199      103.7223 4.525058 105.2689 4.586442 -1.546661      6.442950 
1 1 1 26 5  6  o 109.9843 3.202183 121.4995       7.039177      125.6794       9.868733      117.3905       10.03876      111.8725 4.410705 108.0960 4.643447 3.776512       6.404367 
1 1 1 26 5  7  f 20.62569 6.078393 0.9344478      4.189075      -0.4466080     5.519547      2.315929       6.303096      18.78904 8.094193 22.46235 9.070363 -3.673307      12.15679 
1 1 1 26 5  8  o 157.7850 3.539885 250.3669       11.13686      251.9963       10.19462      248.8083       19.80831      158.5545 3.214864 157.0155 6.307755 1.538925       7.079769 
1 1 1 26 5  9  o 101.0898 3.120718 102.7963       6.390234      95.42845       6.967623      110.1643       10.71179      97.54157 3.571617 104.6379 5.118503 -7.096352      6.241436 
1 1 1 26 5  10 o 30.15983 6.619112 9.429493       4.500794      7.071057       5.043468      11.78155       7.452912      26.57515 8.450384 33.74451 10.19027 -7.169361      13.23822 
1 1 1 26 5  11 o 130.6404 2.886248 171.4453       7.594603      163.6524       8.664365      179.3091       12.47583      127.7415 3.391367 133.5393 4.671224 -5.797798      5.772496 
1 1 1 26 5  12 o 29.07668 6.697744 8.607689       4.646736      4.457579       5.197202      12.75213       7.707955      23.25202 8.531068 34.90133 10.32763 -11.64931      13.39549 
1 1 1 26 5  13 o 38.43234 6.819965 15.81973       5.610230      12.87257       4.733875      18.76689       10.17337      35.02653 7.005122 41.83815 11.70367 -6.811619      13.63993 
1 1 1 26 5  14 o 41.77286 5.883728 18.15762       4.771423      21.15437       4.909571      15.16087       8.182618      45.80033 5.359755 37.74538 10.47598 8.054947       11.76746 
1 1 1 26 5  15 f 91.67987 3.273785 84.65999       6.053721      80.62181       6.578683      88.69817       10.16628      89.60377 3.670986 93.75598 5.421672 -4.152214      6.547569 
1 1 1 26 5  16 o 77.50279 3.783237 60.92685       5.776008      68.76233       7.630026      53.09137       8.678535      82.60728 4.618253 72.39830 5.993604 10.20898       7.566475 
1 1 1 26 5  17 o 35.20844 6.001472 12.58919       4.491584      16.63445       5.005920      8.536844       7.459997      40.52520 6.176306 29.89169 10.29193 10.63351       12.00294 
1 1 1 26 5  18 o 122.2834 2.640126 150.4043       6.422824      155.4343       7.821308      145.3035       10.19462      124.4383 3.142645 120.1286 4.243211 4.309685       5.280252 
1 1 1 26 5  19 o 60.47943 3.708295 37.54086       4.578016      28.40183       5.263088      46.67989       7.488335      53.03864 4.961561 67.92023 5.512596 -14.88159      7.416590 
1 1 1 26 5  20 o 131.2013 2.676491 173.2873       7.045553      168.5407       8.487252      177.9631       11.25021      129.5195 3.276438 132.8830 4.233126 -3.363556      5.352981 
1 1 1 26 5  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 5  22 o 52.48029 4.342484 28.11845       4.574473      27.11953       5.618022      29.11737       7.219123      51.66196 5.437291 53.29862 6.772336 -1.636658      8.684968 
1 1 1 26 5  23 o 66.10445 3.517305 44.41993       4.581558      48.78399       5.752628      40.05586       7.134109      69.50257 4.138429 62.70633 5.688509 6.796242       7.034609 
1 1 1 26 5  24 o 49.26038 4.343524 24.87374       4.267005      25.22797       5.190826      24.51952       6.773507      49.77964 5.213804 48.74111 6.948455 1.038536       8.687047 
1 1 1 26 5  25 o 40.83440 5.276705 17.79631       4.090600      21.38107       4.956328      14.20446       6.509964      45.74262 5.417626 35.92619 9.056698 9.816429       10.55341 
1 1 1 26 5  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 5  27 o 66.73351 3.501312 45.57470       4.667280      45.82266       5.709413      45.32674       7.382068      67.11514 4.253447 66.35188 5.562818 0.7632599      7.002625 
1 1 1 26 5  28 o 15.83414 5.161176 -4.118230      3.883733      -1.483498      5.217039      -6.752962      5.754045      16.92543 7.550976 14.74285 7.038017 2.182581       10.32235 
1 1 1 26 5  29 o 47.10371 4.326782 23.40016       4.071473      24.25739       5.676116      22.54293       5.838351      48.04964 5.906512 46.15778 6.324341 1.891865       8.653564 
1 1 1 26 5  30 o 91.04691 3.018488 85.08506       5.494752      87.49380       7.807138      82.67632       7.736294      92.35883 4.226525 89.73498 4.310634 2.623856       6.036976 
1 1 1 26 5  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 5  32 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 5  33 o 55.39757 3.908135 33.32557       4.335725      35.41550       6.400154      31.24272       5.851103      57.06978 5.607306 53.72536 5.445383 3.344414       7.816269 
1 1 1 26 5  34 o 16.57034 5.249606 -0.2980456     3.623022      1.561428       5.315514      -2.157236      4.925157      18.17620 7.887958 14.96449 6.929182 3.211704       10.49921 
1 1 1 26 5  35 o 17.21706 5.372459 0.8416407      3.697410      -1.064803      5.352353      2.747376       5.102270      15.91283 7.311137 18.52129 7.874043 -2.608452      10.74492 
1 1 1 26 6  0  o 145.1794 4.410579 211.7562       12.78047      211.7562       12.78047      211.7562       12.78047      145.1794 4.410579 145.1794 4.410579 0.000000       0.000000 
1 1 1 26 6  1  o 25.01750 6.251887 3.804386       4.465372      10.27255       6.358355      -2.660945      6.271215      31.56406 9.388295 18.47094 8.258588 13.09312       12.50377 
1 1 1 26 6  2  o 134.4863 3.083299 181.7179       8.295970      192.5572       12.07910      170.8786       11.37774      138.5009 4.360659 130.4718 4.360228 8.029083       6.166599 
1 1 1 26 6  3  o 36.00024 6.264999 13.78647       4.633983      8.373900       6.355521      19.20613       6.745878      29.15174 9.504238 42.84874 8.165190 -13.69700      12.53000 
1 1 1 26 6  4  o 70.34022 4.779635 49.98127       6.635359      52.58838       7.071766      47.37417       11.22896      72.33591 4.888143 68.34452 8.214968 3.991394       9.559270 
1 1 1 26 6  5  o 150.2667 3.490562 227.0588       10.57718      220.1868       9.443663      233.9308       18.92275      148.2234 3.185618 152.3100 6.211918 -4.086609      6.981124 
1 1 1 26 6  6  o 170.6101 3.556093 293.1573       11.85948      315.5444       11.49109      270.6994       20.74347      177.4268 3.238261 163.7933 6.332208 13.63350       7.112186 
1 1 1 26 6  7  o 186.7643 3.571716 350.8253       13.32598      351.2504       12.24205      350.4711       23.66937      187.1858 3.270026 186.3429 6.351027 0.8428802      7.143432 
1 1 1 26 6  8  o 56.25017 5.085495 32.16371       5.929033      28.09011       4.902486      36.24440       10.79680      52.86707 4.636617 59.63327 9.052670 -6.766201      10.17099 
1 1 1 26 6  9  o 141.5476 3.507334 201.4837       9.897071      202.9006       8.295970      200.1376       17.96634      142.3004 2.914949 140.7947 6.380332 1.505768       7.014668 
1 1 1 26 6  10 o 171.2480 3.514681 294.9993       12.03660      294.1492       10.01751      295.9203       21.88408      171.3283 2.923484 171.1676 6.392587 0.1606598      7.029361 
1 1 1 26 6  11 o 132.3036 2.858894 176.6170       7.800055      152.6714       7.516674      200.6335       13.66603      123.4063 3.045498 141.2008 4.839220 -17.79451      5.717789 
1 1 1 26 6  12 o 100.1927 3.056576 100.9544       6.155738      98.40395       6.550345      103.5048       10.42133      99.04012 3.306915 101.3453 5.141493 -2.305206      6.113153 
1 1 1 26 6  13 o 84.59544 3.374871 72.12038       5.744836      69.82500       6.002712      74.31659       9.797889      83.40031 3.598735 85.79058 5.710352 -2.390266      6.749742 
1 1 1 26 6  14 o 152.2631 2.871628 232.9389       8.713958      236.4104       9.216957      229.5384       14.78539      153.5529 3.001231 150.9732 4.896692 2.579697       5.743256 
1 1 1 26 6  15 o 99.92312 3.549436 100.8127       7.134109      93.79901       9.004422      107.8264       11.05893      96.49970 4.665518 103.3465 5.350413 -6.846832      7.098871 
1 1 1 26 6  16 o 25.68126 6.337316 5.994919       4.045260      7.212039       5.460038      4.779216       5.970123      26.93085 8.809266 24.43166 9.112800 2.499187       12.67463 
1 1 1 26 6  17 o 195.2802 2.543287 383.1307       9.975000      370.4494       11.76738      395.8829       16.11728      192.1587 3.061892 198.4017 4.061779 -6.242981      5.086574 
1 1 1 26 6  18 o 15.88651 5.231059 -4.542593      3.992834      -6.271215      4.697035      -2.814679      6.457538      13.22098 6.322756 18.55203 8.335385 -5.331045      10.46212 
1 1 1 26 6  19 o 32.09889 6.189424 10.69762       4.253545      13.43225       5.287176      7.962997       6.663697      35.57700 7.650167 28.62078 9.731948 6.956223       12.37885 
1 1 1 26 6  20 o 51.83701 5.357128 29.05361       4.892568      40.31091       6.138027      17.80339       7.622942      63.13220 4.861249 40.54183 9.547959 22.59037       10.71426 
1 1 1 26 6  21 o 51.49540 5.220430 27.36749       5.354478      29.06778       7.275800      25.67429       7.856731      53.20421 6.837617 49.78659 7.890409 3.417622       10.44086 
1 1 1 26 6  22 o 58.12516 3.914438 34.35991       4.517797      35.98935       5.582600      32.73756       7.105771      59.63682 4.680498 56.61349 6.275687 3.023327       7.828876 
1 1 1 26 6  23 f 24.75139 6.106867 5.222707       3.948910      7.700871       4.825974      2.745959       6.252087      27.05489 8.206017 22.44789 9.046359 4.607002       12.21373 
1 1 1 26 6  24 o 110.6345 2.662386 123.6248       5.863147      128.0172       7.282885      119.2324       9.188620      112.7414 3.229906 108.5276 4.233310 4.213829       5.324772 
1 1 1 26 6  25 o 107.3200 3.187194 117.1779       6.925824      108.3931       7.594603      125.9627       11.58319      103.5731 3.666303 111.0670 5.214503 -7.493980      6.374388 
1 1 1 26 6  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 6  27 o 94.81834 2.891741 91.46112       5.507504      87.77718       6.673616      95.07423       8.763549      93.10345 3.583979 96.53323 4.539136 -3.429771      5.783482 
1 1 1 26 6  28 o 26.70657 5.765906 6.621899       3.925531      11.99409       4.923031      1.249709       6.116064      32.94531 7.617739 20.46783 8.657525 12.47748       11.53181 
1 1 1 26 6  29 o 81.23320 3.029243 68.06805       4.978999      60.70723       5.878025      75.45012       8.040927      77.05380 3.814234 85.41260 4.707109 -8.358795      6.058486 
1 1 1 26 6  30 o 41.35405 5.398194 19.00068       4.361229      20.70096       6.167073      17.30748       6.169198      43.75862 7.046695 38.94949 8.179614 4.809128       10.79639 
1 1 1 26 6  31 o 43.94041 8.340314 32.61712       7.630026      29.15279       11.25730      36.08145       10.29380      39.45447 12.63297 48.42636 10.89272 -8.971897      16.68063 
1 1 1 26 6  32 o 20.25526 6.112079 2.146609       4.439159      4.580141       6.527675      -0.2867104     6.019006      22.42275 9.165093 18.08777 8.088948 4.334980       12.22416 
1 1 1 26 6  33 o 64.66027 3.775960 46.19814       4.923031      58.48978       7.821308      33.90651       5.985001      73.43359 5.325429 55.88695 5.354560 17.54664       7.551921 
1 1 1 26 6  34 o 17.60309 5.351300 1.093850       3.531632      4.194035       5.128483      -2.005627      4.857145      20.32333 8.191974 14.88284 6.887469 5.440492       10.70260 
1 1 1 26 6  35 o 45.80003 4.666202 25.50426       4.100519      31.68196       6.055846      19.31948       5.529466      52.44382 5.773650 39.15623 7.332033 13.28759       9.332403 
1 1 1 26 7  0  o 25.34133 10.61611 9.146112       5.367939      9.146112       5.367939      9.146112       5.367939      25.34133 10.61611 25.34133 10.61611 0.000000       0.000000 
1 1 1 26 7  1  o 74.66329 3.548725 56.09521       5.228374      59.75082       5.936118      52.44669       8.607689      77.17788 3.845738 72.14870 5.965241 5.029175       7.097451 
1 1 1 26 7  2  o 187.8395 3.499589 354.7218       13.14178      353.8008       11.12269      355.5720       23.81815      187.9198 2.959425 187.7593 6.342736 0.1605682      6.999178 
1 1 1 26 7  3  o 118.0770 3.588964 140.3443       8.303054      148.5623       7.268716      132.0554       14.93416      121.7681 2.984655 114.3859 6.527976 7.382248       7.177927 
1 1 1 26 7  4  o 70.91071 4.134117 50.77474       6.006254      46.19106       5.322598      55.36551       10.76847      67.84800 3.922443 73.97340 7.278607 -6.125404      8.268233 
1 1 1 26 7  5  o 239.4539 3.786719 577.1049       18.00176      587.5190       15.18921      566.7614       32.64546      242.1171 3.136749 236.7908 6.893313 5.326279       7.573438 
1 1 1 26 7  6  o 31.43641 6.457346 7.906322       5.378566      13.46058       4.534800      2.357019       9.755382      35.95871 6.547863 26.91412 11.13170 9.044590       12.91469 
1 1 1 26 7  7  o 78.69489 4.351804 62.57755       6.645278      67.86968       5.812847      57.27832       11.95158      82.26272 3.533099 75.12707 7.954244 7.135651       8.703608 
1 1 1 26 7  8  o 57.49954 4.903691 33.80732       5.962330      26.96367       4.846519      40.65096       10.89599      51.79289 4.678749 63.20618 8.619401 -11.41329      9.807383 
1 1 1 26 7  9  o 91.96843 4.171452 85.29759       7.672533      84.87252       6.839394      85.72267       13.73688      91.97184 3.718200 91.96501 7.468536 0.6828308E-02  8.342904 
1 1 1 26 7  10 o 141.9105 3.550382 203.1131       10.35048      185.3310       8.147196      220.9661       19.03610      135.9758 2.995825 147.8452 6.437848 -11.86937      7.100764 
1 1 1 26 7  11 o 93.15231 4.042101 87.70633       7.346645      93.65733       6.314431      81.68449       13.26222      96.62832 3.267381 89.67630 7.394494 6.952019       8.084202 
1 1 1 26 7  12 o 27.96195 6.496195 7.962997       4.331474      4.926574       4.696327      10.99517       7.282885      23.27839 8.151320 32.64552 10.11722 -9.367128      12.99239 
1 1 1 26 7  13 o 125.4939 2.917217 158.4807       7.212039      169.1783       7.977167      147.7122       12.01534      129.8885 3.070774 121.0993 4.960944 8.789185       5.834434 
1 1 1 26 7  14 o 94.92212 3.015429 90.61098       5.717914      91.39028       7.112856      89.83168       8.954830      95.39301 3.728185 94.45123 4.740452 0.9417725      6.030859 
1 1 1 26 7  15 o 192.9556 2.511820 374.0626       9.656199      383.9100       11.96575      364.2151       15.16795      195.6083 3.058600 190.3029 3.985213 5.305389       5.023640 
1 1 1 26 7  16 o 164.3931 2.491350 271.4787       8.232210      261.7729       9.776634      281.1845       13.24096      161.5438 3.026002 167.2425 3.958612 -5.698715      4.982700 
1 1 1 26 7  17 o 96.64906 3.569415 94.50746       6.788385      103.6465       8.295970      85.36844       10.74721      101.4900 4.087086 91.80809 5.853086 9.681946       7.138830 
1 1 1 26 7  18 o 57.43298 4.063284 33.43184       4.626190      35.17463       5.588976      31.68905       7.374983      59.04915 4.732479 55.81681 6.606418 3.232342       8.126569 
1 1 1 26 7  19 o 32.34108 7.000602 11.40607       5.176658      6.891110       5.183033      15.91891       8.961915      26.25870 8.582896 38.42347 11.06199 -12.16478      14.00120 
1 1 1 26 7  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 7  21 o 30.27036 6.705719 9.386987       4.639651      10.94558       5.796553      7.828392       7.247461      31.89006 8.804376 28.65065 10.11680 3.239407       13.41144 
1 1 1 26 7  22 o 24.78773 6.113987 5.462872       4.001336      0.8395153      4.937909      10.08835       6.298845      18.73945 7.845395 30.83600 9.379398 -12.09654      12.22797 
1 1 1 26 7  23 o 50.38338 4.295339 26.00018       4.286133      27.67213       5.343852      24.32824       6.703371      52.17162 5.121416 48.59515 6.897161 3.576473       8.590677 
1 1 1 26 7  24 o 40.22057 5.158671 17.28622       4.128857      13.21263       4.967664      21.35274       6.596395      35.07774 7.320225 45.36339 7.270615 -10.28564      10.31734 
1 1 1 26 7  25 o 63.11512 3.604534 40.91309       4.610604      35.11795       5.482000      46.70823       7.417490      58.73010 4.667112 67.50014 5.494425 -8.770042      7.209067 
1 1 1 26 7  26 o 22.67680 9.530074 1.907861       7.332476      1.907861       7.332476      ?              ?             22.67680 9.530074 ?        ?        ?              ?        
1 1 1 26 7  27 o 40.63918 5.239241 18.72438       4.194035      10.01042       5.061180      27.44542       6.688493      30.05118 8.196361 51.22718 6.528265 -21.17600      10.47848 
1 1 1 26 7  28 o 85.33875 2.989347 74.88335       5.189409      63.45603       5.994210      86.28942       8.473083      78.96960 3.795265 91.70789 4.619605 -12.73830      5.978694 
1 1 1 26 7  29 o 29.32919 5.579835 9.011506       3.919155      15.55052       5.021506      2.471788       6.019006      37.56507 6.945095 21.09331 8.735211 16.47176       11.15967 
1 1 1 26 7  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 7  31 o 37.93001 6.140825 17.42792       4.583683      15.04043       6.044511      19.81540       6.891819      35.29092 8.624948 40.56910 8.743525 -5.278172      12.28165 
1 1 1 26 7  32 o 84.27634 3.077851 74.52913       5.192243      77.29209       7.608772      71.76617       7.066806      85.76319 4.435920 82.78949 4.267937 2.973701       6.155702 
1 1 1 26 7  33 o 16.14909 5.188246 -1.168237      3.669780      0.1069762      5.494043      -2.442742      4.866355      17.46598 7.771688 14.83220 6.875496 2.633773       10.37649 
1 1 1 26 7  34 o 55.40800 3.889287 34.47326       4.316597      39.39700       6.487293      29.54952       5.695952      59.42963 5.457962 51.38637 5.542279 8.043262       7.778574 
1 1 1 26 7  35 o 17.68887 5.466104 1.679031       3.764713      -0.8281801     5.349519      4.186242       5.299220      15.77869 7.273773 19.59904 8.161212 -3.820354      10.93221 
1 1 1 26 8  0  o 84.75372 3.883502 72.40377       6.553179      72.40377       6.553179      72.40377       6.553179      84.75372 3.883502 84.75372 3.883502 0.000000       0.000000 
1 1 1 26 8  1  o 55.65924 3.641984 31.18605       4.050928      29.52827       5.698786      32.84383       5.759005      54.17176 5.259923 57.14672 5.038788 -2.974957      7.283967 
1 1 1 26 8  2  o 89.59770 2.857083 80.55096       5.112897      82.60548       6.860647      78.56730       7.580434      90.74087 3.780351 88.45454 4.284933 2.286331       5.714167 
1 1 1 26 8  3  o 22.90594 6.103718 3.880191       3.830599      4.512129       5.187992      3.247543       5.637859      23.35138 8.527793 22.46052 8.734886 0.8908596      12.20744 
1 1 1 26 8  4  o 180.3300 2.501978 326.1712       9.011506      333.3974       12.07202      318.9450       13.38265      182.3604 3.309933 178.2997 3.752855 4.060776       5.003956 
1 1 1 26 8  5  o 126.4450 2.767840 160.4643       6.972582      163.0148       7.530843      157.9139       11.73905      127.5473 2.952177 125.3428 4.682777 2.204521       5.535680 
1 1 1 26 8  6  o 105.7122 3.118637 112.0062       6.593561      112.0062       6.593561      ?              ?             105.7122 3.118637 ?        ?        ?              ?        
1 1 1 26 8  7  o 57.71444 3.982718 33.56644       4.625482      32.48960       4.959163      34.65038       7.807138      56.87174 4.359953 58.55715 6.666256 -1.685410      7.965435 
1 1 1 26 8  8  o 140.2915 2.726468 197.5872       7.700871      191.2820       8.161365      203.8924       13.05677      138.1574 2.953647 142.4255 4.583719 -4.268036      5.452936 
1 1 1 26 8  9  o 150.9427 2.729753 228.8299       8.161365      238.8191       9.039845      218.8407       13.59519      154.3638 2.928097 147.5215 4.607868 6.842361       5.459505 
1 1 1 26 8  10 o 92.11563 3.146924 85.36844       5.793718      85.29759       6.236501      85.36844       9.769550      92.20609 3.381827 92.02518 5.308085 0.1809082      6.293848 
1 1 1 26 8  11 o 69.53597 4.018766 48.58562       5.588976      48.58562       5.588976      ?              ?             69.53597 4.018766 ?        ?        ?              ?        
1 1 1 26 8  12 o 45.50430 5.344896 21.47317       4.612021      23.74730       5.054803      19.19904       7.715039      48.53703 5.207163 42.47158 9.335798 6.065441       10.68979 
1 1 1 26 8  13 o 105.5975 3.072929 112.1479       6.454704      114.5566       6.915198      109.7392       10.90307      106.8639 3.235517 104.3311 5.225227 2.532784       6.145858 
1 1 1 26 8  14 o 58.51021 4.221771 34.67163       4.975457      33.19096       5.453662      36.15938       8.324308      57.38799 4.751571 59.63242 6.979683 -2.244434      8.443542 
1 1 1 26 8  15 f 58.92031 4.137435 35.13212       4.891151      34.40242       5.285758      35.86891       8.232210      58.44548 4.521957 59.39515 6.930035 -0.9496765     8.274871 
1 1 1 26 8  16 o 25.69900 6.451628 6.050887       4.470331      0.8551012      4.665863      11.24313       7.630026      18.41127 7.661755 32.98673 10.38227 -14.57546      12.90326 
1 1 1 26 8  17 o 31.79658 6.599929 10.62678       4.677907      5.882984       6.115356      15.36632       7.080976      25.77895 9.273862 37.81422 9.393174 -12.03527      13.19986 
1 1 1 26 8  18 o 95.65358 2.991877 92.16957       5.694535      95.57014       6.987460      88.76900       8.990252      97.51356 3.582815 93.79361 4.792572 3.719948       5.983754 
1 1 1 26 8  19 o 80.08019 4.237607 64.66747       6.786968      64.66747       6.786968      ?              ?             80.08019 4.237607 ?        ?        ?              ?        
1 1 1 26 8  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 8  21 o 126.6306 2.697031 161.6687       6.841519      158.9766       8.345562      164.2900       10.84640      125.7103 3.319364 127.5509 4.251792 -1.840614      5.394063 
1 1 1 26 8  22 o 42.87654 5.048239 19.49659       4.264171      14.61536       5.287884      24.38491       6.692035      37.03929 7.399962 48.71379 6.868727 -11.67450      10.09648 
1 1 1 26 8  23 o 27.31808 5.745161 6.696995       3.944659      12.32706       4.918072      1.064095       6.167781      33.85923 7.463341 20.77693 8.736477 13.08231       11.49032 
1 1 1 26 8  24 o 46.91581 4.931351 23.28681       4.311637      27.63671       5.276549      18.93692       6.820265      52.07556 5.066243 41.75606 8.462038 10.31950       9.862702 
1 1 1 26 8  25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 8  26 o 36.71737 5.687685 14.56577       4.153653      16.20938       5.143360      12.92216       6.524132      39.46456 6.516429 33.97018 9.323905 5.494373       11.37537 
1 1 1 26 8  27 o 68.08775 3.514025 48.01886       4.632566      56.63363       5.848978      39.40409       7.183701      74.59790 3.920337 61.57759 5.833049 13.02031       7.028051 
1 1 1 26 8  28 o 68.16380 3.554177 48.37309       4.690660      56.62655       5.858896      40.11962       7.325392      74.46188 3.934159 61.86571 5.920397 12.59616       7.108355 
1 1 1 26 8  29 o 68.02741 3.604868 48.35183       4.750169      57.01619       6.050178      39.69455       7.325392      74.62133 4.053920 61.43350 5.962049 13.18783       7.209737 
1 1 1 26 8  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 8  31 o 34.08550 12.34194 16.09602       10.84640      16.09602       10.84640      ?              ?             34.08550 12.34194 ?        ?        ?              ?        
1 1 1 26 8  32 o 20.98599 5.973653 3.342475       3.992834      0.2872064      5.581183      6.398028       5.711539      18.04164 7.952826 23.93034 8.915755 -5.888704      11.94731 
1 1 1 26 8  33 o 46.81982 4.394671 24.82415       4.111146      28.51518       6.108272      21.12603       5.503962      50.45860 6.052756 43.18105 6.373122 7.277542       8.789342 
1 1 1 26 8  34 o 19.04127 5.670413 2.728956       3.790217      6.089851       5.746252      -0.6322224     4.944993      22.29569 8.782827 15.78684 7.174699 6.508858       11.34083 
1 1 1 26 9  0  o 66.42106 4.609418 44.85917       6.063639      44.85917       6.063639      44.85917       6.063639      66.42106 4.609418 66.42106 4.609418 0.000000       0.000000 
1 1 1 26 9  1  o 62.77785 3.308846 39.76540       4.147985      34.77081       5.656987      44.76707       6.067889      58.80824 4.809690 66.74745 4.545409 -7.939213      6.617693 
1 1 1 26 9  2  o 57.07310 3.522152 32.78006       4.021881      34.13321       5.820640      31.41984       5.551428      58.25380 4.995931 55.89239 4.966176 2.361412       7.044304 
1 1 1 26 9  3  o 60.79951 3.421101 37.42751       4.125315      43.61229       5.909196      31.23564       5.758296      65.88439 4.484519 55.71463 5.167669 10.16976       6.842201 
1 1 1 26 9  4  o 129.8936 2.391161 169.1783       6.211705      168.3281       8.678535      170.0284       8.891070      129.5706 3.348960 130.2166 3.413953 -0.6460419     4.782323 
1 1 1 26 9  5  o 54.77877 3.870086 30.23672       4.249294      28.96859       5.585434      31.49777       6.405112      53.65100 5.205340 55.90654 5.728411 -2.255539      7.740172 
1 1 1 26 9  6  o 49.79694 4.181032 25.01543       4.170656      24.03068       5.576224      26.00018       6.202496      48.83040 5.709787 50.76348 6.109210 -1.933083      8.362064 
1 1 1 26 9  7  o 145.3715 2.535818 212.0396       7.360813      217.2113       9.804973      206.8679       10.98100      147.1766 3.331024 143.5663 3.824365 3.610214       5.071636 
1 1 1 26 9  8  o 99.80777 2.791091 100.0334       5.569139      100.6710       7.367898      99.39579       8.352647      100.1532 3.678314 99.46233 4.198900 0.6908798      5.582181 
1 1 1 26 9  9  o 127.6422 2.591283 163.5815       6.627566      159.5433       8.586436      167.6197       10.09544      126.1001 3.404611 129.1843 3.907379 -3.084145      5.182566 
1 1 1 26 9  10 f 91.82924 2.910226 84.80168       5.360146      80.76351       6.997378      88.83985       8.118857      89.66495 3.901959 93.99352 4.318839 -4.328575      5.820451 
1 1 1 26 9  11 o 90.76047 2.827608 82.81801       5.093768      87.13957       6.245002      78.49645       8.048012      93.19377 3.350547 88.32716 4.555798 4.866615       5.655215 
1 1 1 26 9  12 o 118.2649 2.886554 140.5568       6.816014      141.4070       7.389152      139.7067       11.45567      118.7444 3.111368 117.7855 4.862937 0.9589539      5.773108 
1 1 1 26 9  13 o 75.55690 3.483652 58.07180       5.450119      47.32458       5.486251      68.81192       9.415324      68.60945 3.998174 82.50436 5.705956 -13.89491      6.967304 
1 1 1 26 9  14 o 37.02308 6.684978 14.56577       5.095893      18.61811       6.832309      10.52051       7.566265      41.91414 8.446770 32.13202 10.36377 9.782120       13.36996 
1 1 1 26 9  15 o 48.49783 5.223175 24.34240       4.804011      26.08519       4.999545      22.60670       8.203872      50.86583 4.914443 46.12984 9.218159 4.735981       10.44635 
1 1 1 26 9  16 o 61.57346 4.182935 38.49018       5.226957      35.50760       5.435242      41.47277       8.933578      59.34850 4.579090 63.79842 7.001409 -4.449924      8.365870 
1 1 1 26 9  17 o 80.56139 3.782962 65.63097       6.077100      66.75741       7.374983      64.50453       9.663282      81.37889 4.531263 79.74390 6.058948 1.634995       7.565923 
1 1 1 26 9  18 o 58.27428 4.763243 34.61496       5.570556      33.77190       5.989960      35.46510       9.394071      57.78579 5.182900 58.76278 7.993215 -0.9769936     9.526486 
1 1 1 26 9  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 9  20 o 159.5902 2.673867 256.7429       8.551013      252.1380       10.28672      261.3478       13.66603      158.3240 3.248630 160.8564 4.247900 -2.532410      5.347733 
1 1 1 26 9  21 o 122.6849 2.692567 151.7504       6.625441      147.8539       8.154280      155.6469       10.44258      121.2167 3.363512 124.1531 4.205526 -2.936325      5.385134 
1 1 1 26 9  22 o 96.46449 2.910069 94.15324       5.552136      101.9462       7.054055      86.43112       8.579351      100.5821 3.506614 92.34686 4.645177 8.235260       5.820139 
1 1 1 26 9  23 o 90.00700 2.946342 82.03871       5.269464      85.93520       6.628983      78.14223       8.196787      92.28474 3.591592 87.72926 4.671638 4.555473       5.892685 
1 1 1 26 9  24 o 124.3222 2.653619 156.2845       6.612689      153.0256       7.934660      159.6142       10.58427      123.1943 3.220384 125.4501 4.218519 -2.255753      5.307238 
1 1 1 26 9  25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 9  26 o 116.4683 2.805011 137.9356       6.499337      147.4997       8.784801      128.3715       9.585353      120.6531 3.640521 112.2836 4.268367 8.369492       5.610023 
1 1 1 26 9  27 o 42.47252 5.005788 19.34073       4.147985      19.00776       5.103686      19.66662       6.540427      42.72076 5.973311 42.22429 8.034376 0.4964676      10.01158 
1 1 1 26 9  28 o 74.82700 3.294080 57.99386       4.850060      64.22115       6.155029      51.77366       7.495420      79.22147 3.884698 70.43253 5.320993 8.788940       6.588160 
1 1 1 26 9  29 o 71.28534 3.590468 52.87884       5.129899      51.41235       6.283259      54.34534       8.111773      70.61769 4.448785 71.95299 5.636857 -1.335297      7.180936 
1 1 1 26 9  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 9  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 9  32 o 21.96172 5.846205 5.162488       3.533757      3.669780       4.875566      6.655196       5.115730      20.13526 8.039845 23.78817 8.489602 -3.652908      11.69241 
1 1 1 26 9  33 o 48.50388 3.992216 26.18438       3.871689      26.46067       5.391318      25.91516       5.557804      48.86843 5.516156 48.13934 5.772622 0.7290916      7.984431 
1 1 1 26 9  34 o 20.47720 5.962255 4.292510       4.136650      3.610979       6.872690      4.974748       4.606353      20.44579 8.921561 20.50862 7.911999 -0.6283379E-01 11.92451 
1 1 1 26 10 0  o 130.0394 3.385553 169.6742       8.791886      169.6742       8.791886      169.6742       8.791886      130.0394 3.385553 130.0394 3.385553 0.000000       0.000000 
1 1 1 26 10 1  o 86.21127 2.779048 74.59997       4.792676      73.39561       6.684242      75.80434       6.869148      85.51707 3.908133 86.90548 3.952080 -1.388405      5.558097 
1 1 1 26 10 2  o 157.0574 2.327567 247.3205       7.311223      243.2115       10.22296      251.4295       10.45675      155.7538 3.281769 158.3609 3.301556 -2.607132      4.655134 
1 1 1 26 10 3  o 176.8898 2.352531 313.7733       8.324308      303.6424       11.52651      323.9750       12.01534      174.0259 3.311724 179.7537 3.342168 -5.727844      4.705061 
1 1 1 26 10 4  o 38.38973 5.147230 15.91891       3.832016      8.473083       5.169573      23.37182       5.657696      28.63607 8.452805 48.14338 5.875882 -19.50731      10.29446 
1 1 1 26 10 5  o 165.1169 2.351211 273.4624       7.764632      267.0863       10.81806      279.7676       11.14395      163.2036 3.314284 167.0301 3.335909 -3.826538      4.702421 
1 1 1 26 10 6  o 140.8872 2.386930 199.1458       6.724624      207.8598       9.571183      190.5027       9.443663      143.9643 3.324152 137.8100 3.426334 6.154266       4.773861 
1 1 1 26 10 7  o 75.88103 3.051211 58.49686       4.619106      46.54528       6.086309      70.44136       6.951329      68.03412 4.472983 83.72794 4.151141 -15.69382      6.102421 
1 1 1 26 10 8  o 107.9362 2.700773 117.0362       5.829850      117.2488       7.672533      116.7529       8.777717      108.0819 3.549406 107.7904 4.071659 0.2915039      5.401545 
1 1 1 26 10 9  o 83.30893 3.043170 69.78958       5.066138      70.44136       6.677158      69.13781       7.622942      83.73047 3.987293 82.88740 4.598372 0.8430710      6.086340 
1 1 1 26 10 10 o 113.2143 2.716502 128.9382       6.105437      140.2026       8.168448      117.7447       9.075267      118.1990 3.455381 108.2296 4.192598 9.969322       5.433005 
1 1 1 26 10 11 o 28.10719 6.410720 7.948828       4.123189      6.577975       5.309138      9.316141       6.310180      26.03403 8.686671 30.18036 9.430327 -4.146336      12.82144 
1 1 1 26 10 12 o 50.68948 4.453482 26.14187       4.527715      22.83340       5.943202      29.44325       6.831601      47.47604 6.259160 53.90291 6.336950 -6.426872      8.906964 
1 1 1 26 10 13 o 16.45252 5.292430 -4.835184      4.034633      -0.3676156     5.431700      -9.301972      5.967998      18.61899 8.025327 14.28605 6.901695 4.332937       10.58486 
1 1 1 26 10 14 o 53.75492 4.328080 29.37949       4.672239      25.67429       6.047344      33.08470       7.127024      50.36436 6.003595 57.14548 6.235861 -6.781120      8.656160 
1 1 1 26 10 15 o 37.77647 5.930817 15.34507       4.409404      12.12869       5.577641      18.56144       6.831601      33.73374 8.310452 41.81920 8.463731 -8.085457      11.86163 
1 1 1 26 10 16 o 90.04692 4.417898 82.95970       8.310139      69.08822       7.141194      96.84536       15.00501      82.81671 4.311445 97.27714 7.712505 -14.46043      8.835796 
1 1 1 26 10 17 o 169.2090 2.864387 288.5524       9.684536      309.3809       13.88566      267.7948       13.50309      175.3375 3.959693 163.0804 4.140010 12.25711       5.728774 
1 1 1 26 10 18 o 60.01410 4.732755 37.15829       5.675407      30.06669       7.452912      44.24990       8.565183      54.19830 6.875597 65.82990 6.505541 -11.63160      9.465510 
1 1 1 26 10 19 o 37.77108 7.145665 15.63553       5.505378      16.41483       7.856731      14.85623       7.715039      38.68697 10.06119 36.85519 10.14961 1.831787       14.29133 
1 1 1 26 10 20 o 118.5596 2.978351 141.9029       7.049803      145.5160       9.386987      138.3606       10.52051      120.1330 3.906914 116.9861 4.496477 3.146858       5.956701 
1 1 1 26 10 21 o 57.93301 4.384533 34.33866       5.064722      35.96101       6.886151      32.71630       7.431659      59.38282 5.798101 56.48321 6.578644 2.899605       8.769067 
1 1 1 26 10 22 o 56.42401 4.530048 32.73047       5.107229      34.26781       7.212039      31.18605       7.233293      57.79174 6.239680 55.05629 6.568998 2.735451       9.060096 
1 1 1 26 10 23 o 19.74881 5.947504 0.3692451      4.147985      1.673363       5.841185      -0.9344478     5.890069      20.79047 8.607224 18.70715 8.210171 2.083321       11.89501 
1 1 1 26 10 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 10 25 o 32.52530 6.341056 11.78864       4.257795      11.62569       6.036009      11.94450       6.005546      32.30895 9.007494 32.74165 8.927544 -0.4327011     12.68211 
1 1 1 26 10 26 o 21.51762 6.047630 2.842309       3.993543      0.4913822      5.662655      5.192952       5.633609      19.21008 8.234825 23.82516 8.859062 -4.615082      12.09526 
1 1 1 26 10 27 o 35.20034 5.881201 13.96358       4.079265      14.40283       5.752628      13.52434       5.785926      35.81036 8.204055 34.59031 8.428972 1.220051       11.76240 
1 1 1 26 10 28 o 22.45241 5.956264 3.389233       4.027548      8.402238       5.618731      -1.626605      5.771049      27.37758 8.936366 17.52725 7.877162 9.850330       11.91253 
1 1 1 26 10 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 10 30 o 28.02743 6.481699 9.280719       4.310221      6.764297       6.268381      11.79572       5.916989      24.94584 9.331085 31.10901 8.998920 -6.163170      12.96340 
1 1 1 26 10 31 o 47.95943 4.594202 25.56803       4.420031      28.08303       6.662989      23.05302       5.810721      50.22472 6.633178 45.69414 6.358279 4.530575       9.188403 
1 1 1 26 10 32 o 26.71109 6.253972 9.131943       3.909945      10.39299       5.647778      7.863815       5.409029      28.31951 8.935934 25.10266 8.752012 3.216854       12.50794 
1 1 1 26 10 33 o 44.01032 4.854184 23.03177       4.111146      20.16962       5.979333      25.90100       5.644236      40.23360 7.705592 47.78704 5.905613 -7.553444      9.708368 
1 1 1 26 10 34 o 46.38862 4.650695 25.97893       4.310221      25.97893       6.375357      25.98601       5.802220      45.93316 6.939821 46.84407 6.193121 -0.9109154     9.301391 
1 1 1 26 11 0  o 190.6716 3.392848 364.4276       12.92925      364.4276       12.92925      364.4276       12.92925      190.6716 3.392848 190.6716 3.392848 0.000000       0.000000 
1 1 1 26 11 1  o 81.94336 2.883617 67.50128       4.726790      63.09472       6.499337      71.90786       6.864897      79.26398 4.099804 84.62273 4.056179 -5.358749      5.767233 
1 1 1 26 11 2  o 201.0319 2.400960 405.5887       9.656199      425.9921       13.99192      385.1852       13.31181      206.0918 3.394585 195.9720 3.396354 10.11975       4.801919 
1 1 1 26 11 3  o 42.56396 4.506507 18.32056       3.835558      17.30039       5.325432      19.34782       5.521673      41.36959 6.436408 43.75832 6.309284 -2.388721      9.013014 
1 1 1 26 11 4  o 60.05894 3.530144 36.32941       4.240792      34.86291       5.893611      37.79590       6.099061      58.84502 5.007740 61.27287 4.976968 -2.427853      7.060288 
1 1 1 26 11 5  o 67.53933 3.239645 46.14146       4.361938      39.26948       5.952412      53.01345       6.376774      62.46560 4.764552 72.61306 4.390928 -10.14746      6.479290 
1 1 1 26 11 6  o 45.18720 6.049415 20.63720       5.467123      20.63720       5.467123      ?              ?             45.18720 6.049415 ?        ?        ?              ?        
1 1 1 26 11 7  o 23.47721 6.109587 4.407279       3.817847      5.646361       5.262380      3.167488       5.533009      24.77763 8.633142 22.17680 8.647375 2.600832       12.21917 
1 1 1 26 11 8  o 71.74608 3.183829 51.79491       4.565263      53.16222       6.356938      50.42760       6.554596      72.70559 4.371698 70.78657 4.629830 1.919022       6.367659 
1 1 1 26 11 9  o 88.82132 2.840074 79.34660       5.042051      83.10139       7.169532      75.52096       7.091603      90.95264 3.941355 86.68999 4.090208 4.262650       5.680148 
1 1 1 26 11 10 o 64.59618 3.487764 42.06786       4.498669      44.50494       6.330725      39.63079       6.393777      66.48491 4.761024 62.70744 5.098101 3.777470       6.975527 
1 1 1 26 11 11 o 150.1692 2.602882 226.5629       7.828392      222.5956       10.21588      230.5302       11.85948      148.8994 3.430461 151.4389 3.915600 -2.539459      5.205764 
1 1 1 26 11 12 o 32.95338 5.813056 10.80389       4.325098      17.44208       5.594644      4.162862       6.598520      41.42732 6.752360 24.47945 9.464255 16.94787       11.62611 
1 1 1 26 11 13 o 88.96584 3.106729 79.70082       5.526632      79.34660       7.311223      79.98421       8.295970      88.82311 4.115608 89.10856 4.654980 -0.2854462     6.213459 
1 1 1 26 11 14 o 103.7635 2.933677 108.3931       6.109688      102.7963       7.870899      114.0607       9.344479      101.1060 3.892401 106.4210 4.390337 -5.315010      5.867354 
1 1 1 26 11 15 o 79.68369 3.485509 64.10072       5.554262      64.10072       7.233293      64.10780       8.430575      79.73957 4.535573 79.62781 5.293739 0.1117630      6.971019 
1 1 1 26 11 16 o 130.0488 2.870472 170.4535       7.417490      182.9222       9.840395      157.9848       11.10144      134.8931 3.647479 125.2046 4.433320 9.688515       5.740943 
1 1 1 26 11 17 o 57.47480 4.709795 33.83566       5.431700      29.85416       7.105771      37.81715       8.218040      54.09755 6.567554 60.85205 6.752476 -6.754501      9.419591 
1 1 1 26 11 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 11 19 o 71.67999 3.961282 52.35459       5.644944      56.92410       7.700871      47.78507       8.253463      74.90942 5.140121 68.45056 6.028777 6.458862       7.922563 
1 1 1 26 11 20 o 97.14818 3.588636 95.71184       6.968331      95.99522       8.409323      95.49931       11.10852      97.46696 4.313935 96.82940 5.736132 0.6375656      7.177273 
1 1 1 26 11 21 o 29.14111 6.687517 7.934660       4.844393      12.05077       6.009797      3.818555       7.601687      33.29165 8.865423 24.99057 10.01478 8.301071       13.37503 
1 1 1 26 11 22 o 92.60218 3.164549 86.99788       5.846144      90.32761       7.807138      83.66816       8.699788      94.47058 4.132048 90.73378 4.794128 3.736801       6.329099 
1 1 1 26 11 23 o 19.66226 6.014603 -0.1665570     4.356270      0.3730707      5.815681      -0.7061139     6.488001      19.56458 8.364688 19.75993 8.644871 -0.1953487     12.02921 
1 1 1 26 11 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 11 25 o 24.86338 6.257431 5.698786       4.048802      8.288886       5.591810      3.105144       5.856062      27.77092 8.904743 21.95585 8.793596 5.815077       12.51486 
1 1 1 26 11 26 o 27.56655 5.799893 7.424574       4.036050      14.36032       5.723582      0.4836600      5.691702      35.90438 8.154494 19.22871 8.249804 16.67567       11.59979 
1 1 1 26 11 27 o 37.01523 5.636436 15.57177       4.062971      12.66712       5.696661      18.47642       5.795135      33.18865 8.535500 40.84180 7.363617 -7.653156      11.27287 
1 1 1 26 11 28 o 35.58482 5.987455 14.64370       4.318014      19.66662       6.164948      9.613690       6.046636      42.09579 7.600741 29.07385 9.253497 13.02194       11.97491 
1 1 1 26 11 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 11 30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 11 31 o 34.41579 6.068817 14.65078       4.172073      15.79847       6.124566      13.50309       5.667614      35.74986 8.647635 33.08171 8.517075 2.668144       12.13763 
1 1 1 26 11 32 o 18.62718 5.662301 1.671946       3.863188      3.960245       5.649195      -0.6153613     5.270173      20.70779 8.505438 16.54657 7.476905 4.161215       11.32460 
1 1 1 26 11 33 o 23.62013 5.966088 6.937868       3.890109      11.92324       5.795135      1.954618       5.190826      29.20013 9.019919 18.04013 7.811396 11.16000       11.93218 
1 1 1 26 12 0  o 221.5239 3.491048 491.9489       15.45842      491.9489       15.45842      491.9489       15.45842      221.5239 3.491048 221.5239 3.491048 0.000000       0.000000 
1 1 1 26 12 1  o 23.95945 5.865478 3.986458       3.873106      9.117774       5.336767      -1.146984      5.613772      29.55725 8.545113 18.36164 8.037187 11.19560       11.73096 
1 1 1 26 12 2  o 127.4896 2.427267 163.0856       6.191161      167.5488       8.898154      158.6932       8.607689      129.2189 3.443055 125.7602 3.422262 3.458641       4.854534 
1 1 1 26 12 3  o 121.5255 2.452043 148.2081       5.957372      149.4125       8.345562      147.0037       8.508506      122.0252 3.419606 121.0258 3.515161 0.9993362      4.904086 
1 1 1 26 12 4  o 116.3494 2.512289 135.8811       5.845435      136.8020       8.324308      134.9601       8.210957      116.7422 3.565253 115.9566 3.540531 0.7855911      5.024579 
1 1 1 26 12 5  o 82.52342 2.957251 68.57105       4.884067      63.42769       6.655904      73.67899       7.148279      79.43325 4.189621 85.61359 4.174734 -6.180344      5.914501 
1 1 1 26 12 6  o 39.94235 5.182165 16.49984       4.041009      17.56960       5.599603      15.43008       5.827016      41.63660 6.724375 38.24809 7.886831 3.388512       10.36433 
1 1 1 26 12 7  o 191.5530 2.445557 368.2532       9.365732      375.5503       13.25513      360.9562       13.24096      193.4574 3.425854 189.6487 3.490919 3.808701       4.891114 
1 1 1 26 12 8  o 116.6138 2.546996 136.5187       5.938951      141.4778       8.458915      131.6304       8.338477      118.7218 3.562495 114.5059 3.641069 4.215851       5.093992 
1 1 1 26 12 9  o 55.11610 3.945908 30.82474       4.320848      35.05420       6.140152      26.58820       6.081350      58.95359 5.207615 51.27861 5.929714 7.674976       7.891816 
1 1 1 26 12 10 o 65.85956 3.516238 43.91692       4.609187      49.37200       6.573724      38.46893       6.462497      69.99346 4.695956 61.72565 5.234856 8.267811       7.032476 
1 1 1 26 12 11 o 70.32674 3.376838 49.86084       4.748044      48.57854       6.747295      51.15022       6.681408      69.40977 4.860479 71.24370 4.689123 -1.833923      6.753675 
1 1 1 26 12 12 o 59.09086 3.863848 35.27382       4.566680      35.01877       6.320807      35.52177       6.593561      58.89065 5.366562 59.29108 5.560332 -0.4004288     7.727696 
1 1 1 26 12 13 o 101.7104 3.135949 104.7800       6.298845      89.19408       9.146112      120.3660       8.664365      94.02888 4.863460 109.3920 3.960236 -15.36315      6.271898 
1 1 1 26 12 14 f 120.9605 2.707732 147.1454       6.546803      150.5460       9.167366      143.8157       9.351563      122.3585 3.746110 119.5625 3.910742 2.795937       5.415463 
1 1 1 26 12 15 o 56.04191 5.043628 32.17788       5.738459      28.12554       6.657322      36.22314       9.344479      52.61911 6.325954 59.46471 7.857163 -6.845604      10.08726 
1 1 1 26 12 16 o 86.10477 3.552704 75.09589       6.145111      70.15798       7.870899      79.98421       9.436578      83.34082 4.722116 88.86872 5.309280 -5.527901      7.105408 
1 1 1 26 12 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 12 18 o 79.05190 4.338067 63.84567       6.806805      59.72248       10.40007      67.97595       8.784801      76.30619 6.814698 81.79759 5.369842 -5.491402      8.676134 
1 1 1 26 12 19 o 83.37936 3.507145 70.49803       5.831267      73.67899       7.920490      67.31709       8.565183      85.33084 4.641048 81.42789 5.259367 3.902954       7.014290 
1 1 1 26 12 20 o 63.43644 4.124369 41.23189       5.178074      46.37525       7.059722      36.09562       7.573349      67.53323 5.226851 59.33965 6.381357 8.193584       8.248738 
1 1 1 26 12 21 o 81.48898 3.411155 67.56504       5.538676      72.82884       7.700871      62.30125       7.962997      84.74039 4.543802 78.23756 5.088987 6.502838       6.822310 
1 1 1 26 12 22 o 22.44122 6.294521 2.982582       4.309512      0.2473914      5.769631      5.717914       6.402987      19.42227 8.318563 25.46017 9.449099 -6.037909      12.58904 
1 1 1 26 12 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 12 24 o 48.56939 5.001384 24.71788       4.855729      24.83123       6.519882      24.61161       7.197870      48.79725 6.680583 48.34153 7.444810 0.4557228      10.00277 
1 1 1 26 12 25 o 26.57254 6.159623 6.754380       4.264171      0.4712621      5.699495      13.03551       6.343478      19.23962 8.254999 33.90546 9.144332 -14.66584      12.31925 
1 1 1 26 12 26 o 28.67068 6.409031 8.997337       4.417197      3.618063       5.717914      14.37449       6.734542      22.05008 8.737339 35.29128 9.378787 -13.24120      12.81806 
1 1 1 26 12 27 o 75.14549 3.904099 59.96336       5.615897      75.45012       7.488335      44.49786       8.366816      85.61997 4.373007 64.67102 6.468752 20.94895       7.808197 
1 1 1 26 12 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 12 29 o 52.55972 4.748394 30.90266       4.864230      23.09553       6.786260      38.70980       6.971166      45.20276 7.506466 59.91669 5.817382 -14.71393      9.496787 
1 1 1 26 12 30 o 18.96706 5.776493 1.061261       4.057303      -1.324096      5.773882      3.447326       5.701620      17.12395 7.774476 20.81017 8.545702 -3.686226      11.55299 
1 1 1 26 12 31 o 19.91641 5.819718 2.230915       4.026131      -1.595433      5.819223      6.056554       5.566306      16.79017 7.676079 23.04266 8.749531 -6.252495      11.63944 
1 1 1 26 12 32 o 25.21036 5.451545 6.400154       4.004878      16.38649       5.858188      -3.586183      5.462163      35.58301 8.363665 14.83772 6.994747 20.74530       10.90309 
1 1 1 26 12 33 o 30.42453 6.314187 13.24805       4.107604      14.86332       5.995627      11.63278       5.616605      32.35091 8.963646 28.49816 8.895442 3.852747       12.62837 
1 1 1 26 13 0  o 15.76212 9.447655 2.779256       5.207829      2.779256       5.207829      2.779256       5.207829      15.76212 9.447655 15.76212 9.447655 0.000000       0.000000 
1 1 1 26 13 1  o 129.4215 2.419438 168.1156       6.263422      163.5815       8.791886      172.6497       8.919409      127.6731 3.443124 131.1700 3.399943 -3.496826      4.838875 
1 1 1 26 13 2  o 60.79541 3.535803 37.24331       4.300302      36.22314       5.972957      38.26348       6.187618      59.96439 4.980420 61.62643 5.020263 -1.662041      7.071607 
1 1 1 26 13 3  o 82.35828 2.985129 68.19556       4.916656      69.30784       6.986751      67.07622       6.920157      83.03360 4.207183 81.68295 4.235986 1.350655       5.970257 
1 1 1 26 13 4  o 148.3540 2.439276 220.8953       7.233293      215.3693       10.20879      226.4212       10.25838      146.4929 3.484399 150.2151 3.414563 -3.722290      4.878552 
1 1 1 26 13 5  o 109.6621 2.606232 120.7910       5.713664      115.6902       8.040927      125.8919       8.118857      107.3384 3.745595 111.9857 3.624954 -4.647217      5.212463 
1 1 1 26 13 6  o 15.67988 5.046928 -6.889693      3.879482      0.7835476      5.476333      -14.56577      5.496878      19.73916 8.262871 11.62059 5.797492 8.118571       10.09386 
1 1 1 26 13 7  o 56.97527 3.847912 32.80840       4.371148      35.21006       6.091977      30.40675       6.269798      59.09052 5.154784 54.86002 5.714360 4.230492       7.695824 
1 1 1 26 13 8  o 108.9150 2.640207 119.1616       5.749794      119.9409       8.104689      118.4531       8.161365      109.2584 3.708956 108.5717 3.758513 0.6866379      5.280415 
1 1 1 26 13 9  f 61.08710 3.725193 37.81715       4.534800      42.25915       6.507129      33.37516       6.318681      64.71400 5.027606 57.46019 5.498312 7.253811       7.450386 
1 1 1 26 13 10 o 28.26809 5.845091 7.452912       4.177740      -0.6291052     5.381400      15.53635       6.391652      18.32716 7.944833 38.20901 8.575545 -19.88185      11.69018 
1 1 1 26 13 11 o 71.33148 3.380736 51.46194       4.811096      45.43301       6.642444      57.48378       6.961956      67.12112 4.948103 75.54185 4.608012 -8.420738      6.761472 
1 1 1 26 13 12 o 129.4489 2.598912 168.5407       6.726750      161.8104       9.372816      175.2001       9.656199      126.8730 3.693779 132.0249 3.656962 -5.151855      5.197824 
1 1 1 26 13 13 o 58.88987 4.106043 35.13921       4.836601      35.64929       6.913781      34.63621       6.765006      59.31144 5.828371 58.46830 5.785191 0.8431358      8.212086 
1 1 1 26 13 14 o 126.6002 2.685955 161.1728       6.799012      164.2191       9.656199      158.1973       9.578268      127.7864 3.778258 125.4139 3.818661 2.372421       5.371910 
1 1 1 26 13 15 o 124.3032 3.200145 156.0011       7.934660      159.6142       9.932493      152.3171       12.36957      125.8948 3.944759 122.7116 5.040097 3.183197       6.400290 
1 1 1 26 13 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 13 17 f 42.74091 5.806107 19.55327       4.837308      14.66495       6.698411      24.43450       6.980375      36.74255 9.141364 48.73928 7.160934 -11.99674      11.61221 
1 1 1 26 13 18 o 24.33824 6.955073 3.159695       5.245378      2.598601       7.679617      3.720789       7.148279      24.17400 9.920919 24.50248 9.750257 -0.3284798     13.91015 
1 1 1 26 13 19 o 82.69277 3.540864 69.84626       5.777424      80.90520       7.962997      58.76608       8.366816      89.41592 4.452785 75.96962 5.506685 13.44630       7.081728 
1 1 1 26 13 20 o 90.03304 3.291282 82.53463       5.871648      92.59465       8.062181      72.47462       8.536844      95.65667 4.214124 84.40942 5.056808 11.24725       6.582564 
1 1 1 26 13 21 o 41.13056 5.809493 18.35599       4.626898      16.42191       6.123857      20.29714       6.937160      38.92533 8.130875 43.33580 8.299981 -4.410469      11.61899 
1 1 1 26 13 22 o 33.03207 6.659629 12.09327       4.621231      12.49709       6.313014      11.68946       6.750128      33.55175 9.155354 32.51239 9.673785 1.039364       13.31926 
1 1 1 26 13 23 o 77.46220 3.848029 62.10997       5.934701      71.34109       8.636027      52.90718       8.147196      83.34487 5.180899 71.57953 5.691009 11.76534       7.696057 
1 1 1 26 13 24 o 124.1384 2.843425 156.7804       7.057597      156.7095       9.422408      156.7804       10.51342      124.2403 3.792011 124.0366 4.238033 0.2036591      5.686851 
1 1 1 26 13 25 o 22.88673 6.350466 4.020463       4.265588      2.868521       5.734209      5.172406       6.317265      21.42144 8.650818 24.35203 9.299301 -2.930586      12.70093 
1 1 1 26 13 26 o 46.60114 5.505015 24.59036       4.778507      32.61003       6.539010      16.56360       6.969040      55.63382 5.876830 37.56845 9.310406 18.06536       11.01003 
1 1 1 26 13 27 o 19.62098 6.089359 -0.9606607     4.748044      2.217454       6.363315      -4.138775      7.049096      21.29297 8.909694 17.94899 8.302922 3.343983       12.17872 
1 1 1 26 13 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 13 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 13 30 o 41.56373 5.345134 20.13420       4.329349      18.19304       6.185493      22.06827       6.057971      38.81881 8.218850 44.30864 6.836105 -5.489834      10.69027 
1 1 1 26 13 31 o 81.53308 3.221859 71.19940       5.246794      78.21307       7.601687      64.20699       7.233293      85.68885 4.435634 77.37730 4.674040 8.311546       6.443718 
1 1 1 26 13 32 o 15.87454 5.148079 -3.451577      3.985749      3.244709       5.773882      -10.14503      5.496169      19.65267 8.366274 12.09641 6.001363 7.556258       10.29616 
1 1 1 26 14 0  o 122.9706 3.590185 151.8921       8.813140      151.8921       8.813140      151.8921       8.813140      122.9706 3.590185 122.9706 3.590185 0.000000       0.000000 
1 1 1 26 14 1  o 69.31299 3.266689 48.45102       4.519214      43.88859       6.296011      53.02053       6.485876      66.02576 4.767845 72.60022 4.466844 -6.574463      6.533379 
1 1 1 26 14 2  o 191.5718 2.439028 368.3950       9.344479      356.9889       12.98592      379.8010       13.44641      188.6067 3.442593 194.5368 3.456007 -5.930130      4.878056 
1 1 1 26 14 3  o 94.09164 2.817348 89.12323       5.298511      81.54280       7.289969      96.70367       7.693786      90.07572 4.046578 98.10757 3.921097 -8.031853      5.634696 
1 1 1 26 14 4  o 165.7400 2.662354 275.9420       8.834394      278.7049       13.47475      273.1790       11.42024      166.5123 4.046174 164.9677 3.461356 1.544556       5.324708 
1 1 1 26 14 5  f 98.56935 2.801593 97.83719       5.513172      104.9926       7.821308      90.61098       7.771716      102.2153 3.825899 94.92342 4.093677 7.291870       5.603186 
1 1 1 26 14 6  o 87.71854 2.913775 77.43378       5.107938      81.82619       7.261631      73.11222       7.183701      90.19920 4.025331 85.23788 4.213913 4.961311       5.827551 
1 1 1 26 14 7  o 39.24535 5.372899 16.52110       4.089183      10.01042       5.718623      23.03177       5.846144      30.81921 8.824648 47.67148 6.131700 -16.85228      10.74580 
1 1 1 26 14 8  o 84.08096 3.092963 71.76617       5.156821      85.15590       7.474166      58.41185       7.105771      92.01910 4.061204 76.14284 4.666080 15.87626       6.185926 
1 1 1 26 14 9  o 42.96587 5.085659 19.25572       4.206078      22.89716       5.921948      15.60719       5.975791      47.53922 6.228488 38.39252 8.041246 9.146698       10.17132 
1 1 1 26 14 10 o 40.67006 5.651858 17.77505       4.449785      25.22797       6.067889      10.32214       6.509255      49.89108 6.081136 31.44903 9.528578 18.44206       11.30372 
1 1 1 26 14 11 o 144.3633 2.563672 209.4892       7.403321      208.4974       10.30089      210.4810       10.63386      144.0317 3.575910 144.6950 3.674579 -0.6632385     5.127345 
1 1 1 26 14 12 o 82.48228 3.589438 68.73399       5.907071      66.62281       8.883986      70.84518       7.785885      81.14819 5.473927 83.81637 4.644609 -2.668175      7.178877 
1 1 1 26 14 13 o 81.41791 3.401893 66.94869       5.530883      70.37051       7.736294      63.53395       7.906322      83.52538 4.631103 79.31042 4.984416 4.214958       6.803787 
1 1 1 26 14 14 o 25.27876 6.886180 4.202536       5.065430      7.134109       7.045553      1.271671       7.275800      27.87949 9.961691 22.67803 9.510134 5.201460       13.77236 
1 1 1 26 14 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 14 16 o 64.30474 4.147906 42.15997       5.329682      43.90984       7.438744      40.41009       7.630026      65.68095 5.662787 62.92854 6.062453 2.752411       8.295812 
1 1 1 26 14 17 o 26.67460 5.639339 4.447660       4.349894      15.16795       6.209579      -6.272632      6.092685      37.51568 8.475213 15.83352 7.441729 21.68216       11.27868 
1 1 1 26 14 18 o 19.48627 5.885508 -0.8324308     4.254961      -4.692785      6.028925      3.027215       6.005546      16.56081 7.667602 22.41172 8.931108 -5.850912      11.77102 
1 1 1 26 14 19 o 78.38277 3.349946 62.44294       5.247502      67.08330       7.573349      57.79550       7.268716      81.32115 4.656446 75.44437 4.817268 5.876778       6.699893 
1 1 1 26 14 20 o 97.99510 3.107025 97.34127       6.091268      96.70367       8.288886      98.04973       8.926493      97.70248 4.241901 98.28772 4.541001 -0.5852356     6.214049 
1 1 1 26 14 21 o 86.86261 3.806948 77.36294       6.524132      83.31393       7.913406      71.41194       10.37173      90.55802 4.369247 83.16721 6.235471 7.390816       7.613896 
1 1 1 26 14 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 14 23 o 27.49601 6.486053 7.148279       4.599977      1.553635       6.435576      12.74505       6.573724      21.29376 8.937565 33.69826 9.401887 -12.40450      12.97211 
1 1 1 26 14 24 o 18.47650 5.809633 -1.348184      4.322973      -1.654943      5.921948      -1.040716      6.298845      17.96799 8.029733 18.98501 8.398258 -1.017021      11.61927 
1 1 1 26 14 25 o 72.53212 3.702027 55.03962       5.290009      64.34159       7.353730      45.73765       7.608772      78.99173 4.654747 66.07251 5.757895 12.91922       7.404055 
1 1 1 26 14 26 o 36.56091 5.946461 15.26005       4.677198      23.74022       6.536885      6.777758       6.691327      47.10341 6.938866 26.01841 9.658868 21.08500       11.89292 
1 1 1 26 14 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 14 28 o 63.09686 4.324801 43.05970       5.408321      46.99869       7.289969      39.12070       7.991336      66.44584 5.485648 59.74789 6.687547 6.697952       8.649602 
1 1 1 26 14 29 o 52.02502 4.803930 30.34299       4.929408      34.16863       6.716832      26.51735       7.219123      55.91799 6.005966 48.13204 7.499291 7.785950       9.607861 
1 1 1 26 14 30 o 47.28971 5.933019 27.50918       5.260962      33.29723       6.623316      21.71405       8.175533      54.67951 6.056488 39.89991 10.20401 14.77961       11.86604 
1 1 1 26 14 31 o 53.93979 4.599445 33.72939       4.957037      33.72939       6.658739      33.72939       7.346645      54.36062 6.124598 53.51897 6.863591 0.8416519      9.198890 
1 1 1 26 14 32 o 30.29752 6.295684 13.11344       4.456870      18.03010       5.982875      8.196787       6.607021      36.62987 8.349464 23.96518 9.424914 12.66469       12.59137 
1 1 1 26 15 0  o 32.22517 9.930952 13.08510       5.585434      13.08510       5.585434      13.08510       5.585434      32.22517 9.930952 32.22517 9.930952 0.000000       0.000000 
1 1 1 26 15 1  o 85.30707 2.962408 73.32476       5.052678      69.27242       7.048388      77.29209       7.240376      82.96399 4.247859 87.65015 4.130270 -4.686165      5.924816 
1 1 1 26 15 2  o 73.45190 3.274247 54.36659       4.810388      54.39493       6.851437      54.33825       6.752962      73.46710 4.662929 73.43669 4.597812 0.3041077E-01  6.548495 
1 1 1 26 15 3  o 58.53520 3.868062 34.63621       4.528424      33.90651       6.337809      35.36591       6.470290      57.91842 5.471325 59.15199 5.469208 -1.233574      7.736125 
1 1 1 26 15 4  o 44.80714 4.781679 20.46009       4.277632      22.69880       6.206038      18.22846       5.889359      47.28234 6.562744 42.33195 6.956164 4.950394       9.563358 
1 1 1 26 15 5  o 24.83236 6.258975 5.394860       3.965205      4.002753       5.677533      6.786260       5.536551      23.23332 8.832243 26.43139 8.870770 -3.198071      12.51795 
1 1 1 26 15 6  o 33.69885 6.042597 12.11453       4.181991      16.08894       6.001295      8.140111       5.825599      39.01607 7.966392 28.38164 9.087823 10.63443       12.08519 
1 1 1 26 15 7  o 46.69689 4.915234 22.81923       4.387442      17.15870       6.084183      28.47268       6.322932      40.35617 7.817094 53.03761 5.960801 -12.68143      9.830468 
1 1 1 26 15 8  o 51.32591 4.389620 26.72280       4.506462      25.84432       6.284676      27.60128       6.459663      50.48008 6.224907 52.17174 6.190768 -1.691666      8.779241 
1 1 1 26 15 9  o 69.47385 3.530930 48.81233       4.898944      52.73715       7.006588      44.89459       6.847895      72.28822 4.846286 66.65948 5.136475 5.628746       7.061860 
1 1 1 26 15 10 o 71.88882 3.550722 52.23415       5.098019      55.06087       7.219123      49.40034       7.204955      73.85663 4.887255 69.92103 5.152209 3.935600       7.101445 
1 1 1 26 15 11 o 71.38321 3.744116 51.77366       5.304887      59.06362       7.481250      44.47660       7.516674      76.49374 4.890107 66.27267 5.671021 10.22107       7.488232 
1 1 1 26 15 12 o 124.6023 3.080786 156.6387       7.707955      165.4943       11.78155      147.7830       9.932493      128.0703 4.599644 121.1343 4.099786 6.935997       6.161572 
1 1 1 26 15 13 o 75.29281 6.129728 58.84400       9.181536      60.64347       11.46275      57.04453       14.35323      76.80078 7.462652 73.78484 9.726412 3.015945       12.25946 
1 1 1 26 15 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 15 15 o 52.19041 5.052649 28.20346       5.241835      23.42850       7.183701      32.97134       7.637110      47.66356 7.535843 56.71727 6.732614 -9.053715      10.10530 
1 1 1 26 15 16 o 57.29560 4.252894 33.49560       4.876274      32.04327       6.701245      34.94793       7.084518      56.05983 5.976869 58.53136 6.051899 -2.471527      8.505789 
1 1 1 26 15 17 o 64.43017 3.914624 42.32291       5.048427      39.52452       6.879775      45.11421       7.389152      62.30342 5.521186 66.55692 5.551003 -4.253498      7.829248 
1 1 1 26 15 18 o 84.55354 3.231793 72.61631       5.459329      66.50945       7.580434      78.70899       7.856731      80.96739 4.681165 88.13969 4.456977 -7.172295      6.463586 
1 1 1 26 15 19 o 81.57505 3.592225 67.84134       5.822057      63.16556       8.713958      72.54546       7.729208      78.61098 5.542456 84.53912 4.571380 -5.928146      7.184451 
1 1 1 26 15 20 o 38.78407 5.957418 16.54235       4.502211      13.50309       6.334976      19.57452       6.399445      34.95500 9.007625 42.61314 7.799103 -7.658142      11.91484 
1 1 1 26 15 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 15 22 o 22.73082 5.903430 2.352060       4.167114      9.386987       5.905654      -4.683574      5.880858      29.34054 9.114071 16.12109 7.505709 13.21944       11.80686 
1 1 1 26 15 23 o 29.44812 6.093650 9.018591       4.376107      1.790966       6.025383      16.24480       6.348436      20.81919 8.687959 38.07705 8.546910 -17.25785      12.18730 
1 1 1 26 15 24 o 26.82171 6.589956 7.212039       4.522048      10.46383       6.182659      3.962371       6.600646      30.34461 9.305121 23.29882 9.334066 7.045792       13.17991 
1 1 1 26 15 25 o 20.72296 6.197648 1.459411       4.479541      3.148360       6.180533      -0.2299634     6.486584      21.89479 8.928479 19.55114 8.598001 2.343651       12.39530 
1 1 1 26 15 26 o 36.07918 8.298594 17.46334       8.012589      7.941744       12.41208      26.99201       10.14503      27.86359 12.07220 44.29477 11.38985 -16.43118      16.59719 
1 1 1 26 15 27 o 18.47955 6.019853 -1.533090      5.172406      -3.822098      6.862772      0.7566265      7.743378      16.79373 7.894478 20.16538 9.090199 -3.371649      12.03971 
1 1 1 26 15 28 o 69.08385 9.321754 59.02820       12.87965      59.02820       12.87965      ?              ?             69.08385 9.321754 ?        ?        ?              ?        
1 1 1 26 15 29 o 23.30587 6.534139 4.766464       4.876983      8.175533       6.103312      1.358811       7.608772      25.80152 9.266437 20.81022 9.214828 4.991295       13.06828 
1 1 1 26 15 30 o 26.54107 6.931097 9.585353       4.959870      8.586436       5.831975      10.58427       8.026759      25.65197 9.073486 27.43017 10.48009 -1.778202      13.86219 
1 1 1 26 15 31 o 18.82915 6.013680 0.6789802      4.966247      2.061595       5.854646      -0.7033509     8.026759      18.72814 8.202629 18.93016 8.796266 -0.2020264     12.02736 
1 1 1 26 16 0  o 18.69462 10.35747 4.992460       5.597477      4.992460       5.597477      4.992460       5.597477      18.69462 10.35747 18.69462 10.35747 0.000000       0.000000 
1 1 1 26 16 1  o 138.4784 2.538571 192.6281       7.032093      187.7397       9.804973      197.5164       10.08127      136.7218 3.585739 140.2351 3.594418 -3.513290      5.077142 
1 1 1 26 16 2  o 70.20586 3.429568 49.69790       4.812513      47.84175       6.808930      51.55404       6.803971      68.88373 4.942336 71.52799 4.756160 -2.644264      6.859136 
1 1 1 26 16 3  o 89.73235 2.954921 81.11773       5.294260      75.87518       7.481250      86.28942       7.495420      86.83138 4.307919 92.63332 4.045747 -5.801933      5.909842 
1 1 1 26 16 4  o 61.65578 3.798187 38.41934       4.682866      36.80407       6.536885      40.02753       6.707621      60.35678 5.415203 62.95478 5.327333 -2.597992      7.596375 
1 1 1 26 16 5  o 57.06248 4.074270 32.97134       4.648152      31.59695       6.531217      34.34575       6.614814      55.86259 5.845788 58.26236 5.676748 -2.399761      8.148540 
1 1 1 26 16 6  o 43.56381 5.260023 19.73747       4.452619      22.05410       6.264131      17.42792       6.330016      46.55754 6.727300 40.57008 8.087942 5.987461       10.52005 
1 1 1 26 16 7  f 101.8855 2.916171 104.5675       5.937534      109.7392       8.380984      99.39579       8.409323      104.4247 4.012934 99.34637 4.232325 5.078293       5.832342 
1 1 1 26 16 8  o 84.85304 3.183460 72.61631       5.402653      71.12856       7.516674      74.03321       7.764632      84.00822 4.473773 85.69787 4.530236 -1.689651      6.366921 
1 1 1 26 16 9  o 55.10672 5.303483 32.16371       5.427449      42.01119       7.530843      22.31623       7.821308      64.38480 5.848308 45.82864 8.849013 18.55615       10.60697 
1 1 1 26 16 10 o 136.4734 2.745073 187.3855       7.488335      189.7942       10.55593      185.0476       10.63386      137.3460 3.842824 135.6007 3.921020 1.745300       5.490145 
1 1 1 26 16 11 o 68.30274 4.309594 47.75673       5.856771      40.23298       8.055097      55.28758       8.501422      62.82434 6.410809 73.78114 5.761243 -10.95680      8.619187 
1 1 1 26 16 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 16 13 o 23.92904 6.795803 1.825680       5.319056      7.318307       7.594603      -3.666238      7.445828      28.36963 10.32202 19.48846 8.842381 8.881168       13.59161 
1 1 1 26 16 14 o 107.6143 3.413204 117.3196       7.325392      119.6575       9.096521      114.9109       11.48400      108.8723 4.177611 106.3563 5.398836 2.515984       6.826409 
1 1 1 26 16 15 o 23.19120 6.214175 1.857561       4.558179      8.515590       6.264839      -4.803303      6.622607      28.84290 9.436193 17.53950 8.088394 11.30340       12.42835 
1 1 1 26 16 16 o 35.70837 6.285933 13.94233       4.520631      10.88182       6.145820      17.00993       6.631817      31.77267 9.164917 39.64408 8.605585 -7.871410      12.57187 
1 1 1 26 16 17 o 141.5845 2.631904 202.3338       7.452912      205.6635       10.51342      199.0041       10.56302      142.7634 3.682114 140.4055 3.761611 2.357941       5.263809 
1 1 1 26 16 18 o 69.78745 3.687739 49.72623       5.144068      53.23307       7.382068      46.21231       7.162447      72.28179 5.106451 67.29311 5.321828 4.988678       7.375479 
1 1 1 26 16 19 o 48.19591 6.305470 25.11462       5.917697      24.84540       9.762465      25.38383       6.689910      46.92247 10.64498 49.46935 6.761672 -2.546871      12.61094 
1 1 1 26 16 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 16 21 o 51.53386 4.636487 27.64379       4.778507      27.66504       6.712580      27.62962       6.803263      51.56524 6.508824 51.50249 6.604790 0.6274414E-01  9.272973 
1 1 1 26 16 22 o 93.28981 3.072932 88.91070       5.734209      89.19408       8.090520      88.62732       8.125941      93.44610 4.328977 93.13353 4.362522 0.3125687      6.145864 
1 1 1 26 16 23 o 54.12245 4.444378 30.98060       4.762213      36.71197       6.873399      25.25630       6.594269      59.35974 5.789614 48.88516 6.744653 10.47458       8.888756 
1 1 1 26 16 24 o 69.21545 3.713027 50.02378       5.132025      46.82158       7.240376      53.22598       7.275800      66.90952 5.410574 71.52139 5.086450 -4.611877      7.426054 
1 1 1 26 16 25 o 17.69192 5.688003 -6.763589      4.966955      2.069388       6.497211      -15.60011      7.516674      21.21071 8.945068 14.17312 7.028461 7.037594       11.37601 
1 1 1 26 16 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 16 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 16 28 o 52.78409 5.705468 32.85799       5.566306      39.89292       7.112856      25.82307       8.565183      60.52433 5.876030 45.04384 9.781703 15.48049       11.41094 
1 1 1 26 16 29 o 28.08325 6.534320 10.15920       4.518506      14.16195       6.232251      6.154321       6.543969      32.77078 9.158128 23.39572 9.322986 9.375055       13.06864 
1 1 1 26 16 30 o 24.47129 6.657001 7.920490       4.651694      9.670367       6.552470      6.166365       6.604896      26.21233 9.582741 22.73024 9.243038 3.482096       13.31400 
1 1 1 26 16 31 o 17.12527 5.607477 -0.7948829     4.590059      -2.897568      6.456121      1.307802       6.525549      15.95239 7.551696 18.29816 8.291385 -2.345766      11.21495 
1 1 1 26 17 0  o 19.35985 10.67130 5.423907       5.899987      5.423907       5.899987      5.423907       5.899987      19.35985 10.67130 19.35985 10.67130 0.000000       0.000000 
1 1 1 26 17 1  o 23.30662 6.335344 3.438825       4.293926      0.6811764      6.054429      6.196119       6.089851      20.50038 8.639684 26.11285 9.268343 -5.612471      12.67069 
1 1 1 26 17 2  o 74.02402 3.516922 55.65597       5.166030      47.04120       7.247461      64.27783       7.360813      68.20824 5.312747 79.83981 4.609739 -11.63157      7.033845 
1 1 1 26 17 3  o 103.4443 3.117074 108.0389       6.483042      98.61649       8.274716      117.4613       9.982086      98.96445 4.180651 107.9242 4.624582 -8.959732      6.234149 
1 1 1 26 17 4  o 60.79332 4.035110 37.53378       4.895402      41.37358       7.042719      33.68688       6.801137      63.94075 5.507223 57.64589 5.899065 6.294853       8.070221 
1 1 1 26 17 5  o 48.54039 4.846368 24.03777       4.695619      26.07811       6.708330      21.99743       6.573016      50.63301 6.624463 46.44777 7.075706 4.185242       9.692736 
1 1 1 26 17 6  o 20.14193 6.096272 -0.5803638E-01 4.384608      0.9231127      6.294595      -1.039299      6.104729      21.07116 8.841399 19.21270 8.395702 1.858461       12.19254 
1 1 1 26 17 7  o 82.12608 3.370148 68.06097       5.535842      68.33018       7.828392      67.79175       7.828392      82.28999 4.756588 81.96219 4.775612 0.3277969      6.740297 
1 1 1 26 17 8  o 17.70219 5.716068 -4.592185      4.578724      -8.055097      6.286801      -1.129981      6.658739      15.38769 7.348422 20.01670 8.757537 -4.629007      11.43214 
1 1 1 26 17 9  o 119.6622 3.460169 144.8075       8.288886      148.2081       12.14286      141.4778       11.27855      121.0180 5.016966 118.3064 4.766669 2.711548       6.920338 
1 1 1 26 17 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 17 11 o 58.81807 13.51338 0.000000       0.000000      ?              ?             39.48202       15.57177      ?        ?        58.81807 13.51338 ?              ?        
1 1 1 26 17 12 o 118.8750 2.994408 142.8239       7.119940      133.6140       9.769550      152.1046       10.36465      115.0211 4.246852 122.7289 4.222578 -7.707855      5.988816 
1 1 1 26 17 13 o 27.23841 6.894673 6.614106       4.883358      3.418988       6.649529      9.812057       7.155363      23.63770 9.404645 30.83911 10.08458 -7.201403      13.78935 
1 1 1 26 17 14 f 31.53666 6.721634 10.59844       4.666572      7.785885       6.327891      13.40391       6.859938      27.96915 9.483566 35.10418 9.528034 -7.135027      13.44327 
1 1 1 26 17 15 o 32.76389 6.610888 11.59735       4.592185      13.69437       6.445494      9.507423       6.542552      35.43306 9.059441 30.09472 9.630260 5.338331       13.22178 
1 1 1 26 17 16 o 25.79302 6.545005 5.753337       4.483083      2.094892       6.184076      9.415324       6.492960      21.69223 8.902575 29.89380 9.596486 -8.201569      13.09001 
1 1 1 26 17 17 o 58.37727 4.236703 35.01168       4.946410      32.95718       6.845770      37.05911       7.141194      56.65315 6.041826 60.10139 5.940956 -3.448246      8.473406 
1 1 1 26 17 18 o 75.85473 3.449847 58.87943       5.217039      51.99327       7.261631      65.75850       7.488335      71.34097 5.089383 80.36848 4.658751 -9.027512      6.899694 
1 1 1 26 17 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 17 20 o 90.84749 3.129176 84.23491       5.686742      90.68183       8.274716      77.71716       7.800055      94.36508 4.384417 87.32990 4.465856 7.035179       6.258353 
1 1 1 26 17 21 o 69.00214 3.771096 49.16656       5.203578      50.61888       7.353730      47.71423       7.360813      70.05559 5.248496 67.94868 5.416451 2.106911       7.542192 
1 1 1 26 17 22 f 33.74183 6.661504 13.02843       4.679324      13.09927       6.256337      12.95758       6.959831      33.91077 9.052332 33.57288 9.775368 0.3378906      13.32301 
1 1 1 26 17 23 o 67.64769 4.070261 48.23140       5.537968      43.97360       7.029259      52.49628       8.558097      64.84185 5.420310 70.45354 6.073575 -5.611687      8.140521 
1 1 1 26 17 24 o 51.67939 5.779360 30.04544       5.664072      37.44168       7.984251      22.65629       8.040927      59.21581 6.741656 44.14297 9.389041 15.07283       11.55872 
1 1 1 26 17 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 17 26 o 29.40840 7.190392 10.59844       5.188701      9.712874       7.715039      11.49109       6.943536      28.43920 10.39803 30.37760 9.934184 -1.938404      14.38078 
1 1 1 26 17 27 o 84.27425 3.535553 76.01688       6.021132      87.56464       9.507423      64.45494       7.389152      90.45512 5.255326 78.09337 4.730973 12.36176       7.071106 
1 1 1 26 17 28 o 32.16837 6.512877 13.94941       4.663738      20.12003       7.226208      7.778800       5.896444      39.29488 9.323129 25.04187 9.096678 14.25301       13.02575 
1 1 1 26 17 29 o 24.35990 6.119381 6.714706       4.262046      1.290091       6.267673      12.14286       5.776716      18.79806 8.338577 29.92174 8.958541 -11.12368      12.23876 
1 1 1 26 17 30 o 20.09076 6.220409 3.286508       4.780632      2.539091       6.767131      4.034633       6.754380      19.57026 8.674889 20.61126 8.917414 -1.040997      12.44082 
1 1 1 26 18 0  o 46.29057 8.096636 23.33640       6.861355      23.33640       6.861355      23.33640       6.861355      46.29057 8.096636 46.29057 8.096636 0.000000       0.000000 
1 1 1 26 18 1  o 82.50052 3.384338 68.96069       5.561347      77.71716       7.991336      60.19715       7.736294      87.79753 4.551003 77.20351 5.010325 10.59402       6.768677 
1 1 1 26 18 2  o 50.06159 5.269474 26.41817       5.000253      33.41767       7.119940      19.41866       7.025717      57.36855 6.205439 42.75463 8.518331 14.61392       10.53895 
1 1 1 26 18 3  o 43.74361 5.867235 21.01976       4.972623      31.20730       7.289969      10.82514       6.769256      55.37921 6.581864 32.10800 9.714775 23.27121       11.73447 
1 1 1 26 18 4  o 70.29599 3.859493 50.13005       5.414697      54.67122       7.715039      45.58887       7.594603      73.51919 5.246957 67.07278 5.661464 6.446404       7.718985 
1 1 1 26 18 5  o 58.56965 4.596076 34.94793       5.383525      36.13813       7.672533      33.75773       7.552096      59.57715 6.439158 57.56216 6.559949 2.014992       9.192153 
1 1 1 26 18 6  o 82.11087 3.672775 68.28058       6.033175      68.12472       8.543928      68.43644       8.515590      82.01422 5.208809 82.20751 5.179326 -0.1932907     7.345550 
1 1 1 26 18 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 18 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 18 9  o 42.68124 6.852526 19.93583       5.747669      23.31515       7.962997      16.54943       8.288886      46.56388 8.869617 38.79861 10.44789 7.765263       13.70505 
1 1 1 26 18 10 o 47.55816 5.616943 23.78981       5.219872      21.16854       7.190785      26.41108       7.566265      44.49826 8.386973 50.61806 7.473879 -6.119793      11.23389 
1 1 1 26 18 11 o 33.45146 7.262698 11.96575       5.332517      12.80881       7.955913      11.12269       7.105771      34.54180 10.54808 32.36113 9.986253 2.180672       14.52540 
1 1 1 26 18 12 o 76.50063 3.745105 61.04021       5.612355      41.43734       7.417490      80.62181       8.423491      63.76852 5.815949 89.23273 4.719956 -25.46420      7.490211 
1 1 1 26 18 13 o 48.57490 6.773882 25.36257       6.519882      24.10153       6.984626      26.63070       11.00934      48.33473 7.225266 48.81506 11.46025 -0.4803276     13.54776 
1 1 1 26 18 14 o 36.55499 6.045557 14.38866       4.644610      21.00560       6.514922      7.778800       6.621899      45.06569 7.228251 28.04429 9.692649 17.02140       12.09111 
1 1 1 26 18 15 o 69.29668 3.738987 49.11697       5.175241      43.58395       7.091603      54.64997       7.537927      65.34579 5.426212 73.24757 5.145513 -7.901779      7.477973 
1 1 1 26 18 16 o 63.74986 3.920568 41.60029       4.993877      43.36433       7.026425      39.84333       7.098687      65.13823 5.393472 62.36150 5.691562 2.776730       7.841136 
1 1 1 26 18 17 o 46.92699 5.338586 23.58436       4.834475      27.70046       6.876233      19.46117       6.796887      51.63590 6.658384 42.21808 8.346730 9.417820       10.67717 
1 1 1 26 18 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 18 19 o 17.88138 5.756052 -4.556053      4.728208      -0.2334349     6.191161      -8.876901      7.148279      19.54687 8.498297 16.21589 7.765791 3.330973       11.51210 
1 1 1 26 18 20 o 32.67395 5.999865 11.53359       4.931533      -0.8536844     6.184076      23.91733       7.686701      18.95502 8.361335 46.39289 8.607068 -27.43787      11.99973 
1 1 1 26 18 21 o 23.50774 6.144177 1.545133       4.743084      10.41424       6.318681      -7.318307      7.076016      30.39605 9.424464 16.61942 7.885627 13.77663       12.28835 
1 1 1 26 18 22 o 76.37329 3.864423 61.08979       5.863147      65.11381       7.750463      57.06579       8.798972      79.22911 4.891171 73.51747 5.984272 5.711639       7.728847 
1 1 1 26 18 23 o 54.59190 5.303457 32.26998       5.792302      30.64054       7.955913      33.89942       8.423491      53.22746 7.473505 55.95635 7.526842 -2.728886      10.60691 
1 1 1 26 18 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 18 25 o 19.80076 6.207987 0.1397775E-01  4.891860      0.7948829      7.054762      -0.7672533     6.779175      20.48767 8.988499 19.11386 8.565239 1.373814       12.41597 
1 1 1 26 18 26 o 32.30974 6.877292 13.63770       4.855020      16.58486       7.389152      10.69054       6.303096      35.59331 9.980139 29.02617 9.464958 6.567142       13.75458 
1 1 1 26 18 27 o 23.98835 6.507626 6.298845       4.546135      4.013380       6.829475      8.586436       6.002004      21.89622 9.199494 26.08047 9.206848 -4.184256      13.01525 
1 1 1 26 18 28 o 19.74732 5.872373 2.342850       4.149402      6.180533       5.882984      -1.494833      5.852520      22.85408 8.915600 16.64057 7.645335 6.213511       11.74475 
1 1 1 26 18 29 o 36.45893 6.082979 17.98759       4.426406      21.96201       6.345603      14.02026       6.173449      41.46336 7.935034 31.45450 9.222026 10.00885       12.16596 
1 1 1 26 19 0  o 21.29538 13.72679 1.841266       13.07802      1.841266       13.07802      1.841266       13.07802      21.29538 13.72679 21.29538 13.72679 0.000000       0.000000 
1 1 1 26 19 1  o 54.84943 13.05075 35.36591       16.96033      37.41334       23.88191      33.31141       24.08736      56.11500 18.42368 53.58386 18.48935 2.531139       26.10149 
1 1 1 26 19 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 19 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 19 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 19 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 19 6  o 42.56349 6.840676 19.40449       6.288927      7.672533       9.521592      31.13646       8.225125      30.20168 11.45059 54.92530 7.487556 -24.72362      13.68135 
1 1 1 26 19 7  f 48.62655 5.762288 25.11462       5.380691      30.09503       7.523758      20.14128       7.693786      54.13617 6.948920 43.11692 9.193930 11.01925       11.52458 
1 1 1 26 19 8  o 64.24358 4.462356 42.16705       5.733500      42.11037       7.856731      42.22372       8.352647      64.24203 6.114945 64.24512 6.500608 -0.3089905E-02 8.924711 
1 1 1 26 19 9  o 90.08855 3.349714 82.18040       6.034592      85.15590       8.600604      79.20491       8.465999      91.73128 4.687934 88.44583 4.785980 3.285446       6.699428 
1 1 1 26 19 10 o 49.55463 5.192812 25.34840       5.146194      23.32932       7.073891      27.36041       7.474166      47.56250 7.436417 51.54676 7.249890 -3.984261      10.38562 
1 1 1 26 19 11 o 59.55063 4.326591 36.43568       5.109354      41.56487       7.197870      31.30648       7.254546      63.86239 5.635453 55.23887 6.566524 8.623520       8.653182 
1 1 1 26 19 12 o 68.40363 3.878387 47.79924       5.302053      43.49894       7.304138      52.09246       7.686701      65.29677 5.593031 71.51050 5.374527 -6.213730      7.756774 
1 1 1 26 19 13 o 25.68628 7.040064 2.864979       5.731375      10.07418       8.083434      -4.342809      8.125941      31.33645 10.71864 20.03610 9.130212 11.30034       14.08013 
1 1 1 26 19 14 o 23.79559 6.666570 3.505419       4.869189      7.339560       7.644195      -0.3280841     6.032466      28.19440 10.34610 19.39677 8.410159 8.797625       13.33314 
1 1 1 26 19 15 o 29.16269 6.893401 9.011506       4.796926      11.00226       7.842561      7.016507       5.530883      32.04599 10.55773 26.27939 8.866235 5.766607       13.78680 
1 1 1 26 19 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 19 17 o 27.12502 6.955547 6.915198       5.098727      11.84531       7.941744      1.982956       6.400154      32.64977 10.62428 21.60028 8.980156 11.04949       13.91109 
1 1 1 26 19 18 f 46.68295 5.834983 23.58436       5.343143      24.77456       8.147196      22.40125       6.913073      47.30915 8.936655 46.05675 7.504951 1.252396       11.66997 
1 1 1 26 19 19 o 21.70910 6.581962 -0.2360561     5.447286      -3.740625      8.919409      3.268088       6.259880      20.97842 9.561219 22.43978 9.048313 -1.461361      13.16392 
1 1 1 26 19 20 o 51.90550 6.148211 29.84707       6.191869      30.09503       9.989170      29.59912       7.325392      50.99621 10.15421 52.81480 6.934980 -1.818592      12.29642 
1 1 1 26 19 21 o 72.72311 4.380957 56.05270       6.355521      56.59821       10.61969      55.50011       6.982501      72.23943 7.350344 73.20681 4.769024 -0.9673843     8.761914 
1 1 1 26 19 22 o 58.12279 5.855734 37.18663       6.755795      35.37300       10.29380      38.99319       8.756464      56.10221 9.174152 60.14337 7.279659 -4.041157      11.71147 
1 1 1 26 19 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 19 24 o 101.6765 3.537236 109.0307       7.219123      113.0689       11.59027      104.9217       8.600604      102.8817 5.632815 100.4712 4.280133 2.410454       7.074471 
1 1 1 26 19 25 o 60.12096 4.624499 40.24714       5.554262      40.88475       8.770633      39.60954       6.813890      59.80809 7.332313 60.43383 5.637479 -0.6257362     9.248999 
1 1 1 26 19 26 f 28.01574 6.834178 10.23713       4.716164      10.98809       7.509589      9.493254       5.707996      28.68146 10.28089 27.35003 9.007071 1.331429       13.66836 
1 1 1 26 19 27 o 39.29176 6.027247 19.87207       4.662321      23.54894       7.445828      16.20229       5.608104      42.54316 9.024757 36.04035 7.991534 6.502811       12.05449 
1 1 1 26 19 28 o 28.32960 6.371577 11.69654       4.760796      21.96201       7.885069      1.426113       5.342435      38.86552 10.06612 17.79368 7.814165 21.07183       12.74315 
1 1 1 26 19 29 o 39.74097 6.506527 23.27973       5.339601      18.48351       8.218040      28.08303       6.823099      32.41485 10.80751 47.06710 7.248268 -14.65225      13.01305 
1 1 1 26 20 0  o 16.91751 10.55897 2.359853       7.084518      2.359853       7.084518      2.359853       7.084518      16.91751 10.55897 16.91751 10.55897 0.000000       0.000000 
1 1 1 26 20 1  f 76.53572 4.172689 60.24674       6.342769      71.90786       9.301972      48.62104       8.621859      84.08693 5.531164 68.98450 6.249126 15.10242       8.345379 
1 1 1 26 20 2  o 45.86046 6.015014 22.51460       5.319056      21.21105       7.367898      23.81107       7.672533      44.48653 8.587513 47.23439 8.424738 -2.747852      12.03003 
1 1 1 26 20 3  o 29.70320 6.813936 8.515590       4.964122      3.245418       6.916615      13.77939       7.119940      23.79797 9.546199 35.60843 9.725688 -11.81045      13.62787 
1 1 1 26 20 4  o 121.2645 2.961140 148.4915       7.183701      143.7449       10.03168      153.2381       10.27963      119.3215 4.203633 123.2076 4.171675 -3.886040      5.922280 
1 1 1 26 20 5  o 44.15828 5.801685 20.76472       4.966247      25.21380       7.022882      16.31564       7.024299      49.54168 7.087853 38.77489 9.186976 10.76679       11.60337 
1 1 1 26 20 6  o 42.45240 5.974049 19.90041       5.006629      10.39299       6.772090      29.40783       7.374983      31.36789 9.762985 53.53691 6.887755 -22.16903      11.94810 
1 1 1 26 20 7  o 29.82574 6.243412 8.536844       4.684991      -0.4367605E-01 6.150070      17.12328       7.068932      19.92087 8.562133 39.73061 9.089040 -19.80974      12.48682 
1 1 1 26 20 8  o 43.97253 6.378024 21.01976       5.586143      27.27539       8.614774      14.77122       7.119940      51.17208 8.417457 36.77298 9.584528 14.39910       12.75605 
1 1 1 26 20 9  o 81.71722 3.679749 67.92635       6.043094      70.39885       9.904156      65.45387       6.930784      82.99258 5.966893 80.44187 4.307945 2.550705       7.359498 
1 1 1 26 20 10 o 25.77304 7.277811 4.666572       6.036009      11.27147       10.64803      -1.936907      5.693827      33.85702 12.23158 17.68907 7.890157 16.16795       14.55562 
1 1 1 26 20 11 o 19.69113 6.191432 -2.960620      5.104395      3.455119       8.359732      -9.372816      5.853937      25.45034 10.38206 13.93193 6.748933 11.51840       12.38286 
1 1 1 26 20 12 o 57.13301 5.622585 35.28798       5.836935      24.46284       8.834394      46.12021       7.630026      47.13566 9.703476 67.13036 5.682992 -19.99470      11.24517 
1 1 1 26 20 13 o 50.32719 6.088655 28.78440       5.525924      13.67312       8.444746      43.89567       7.127024      35.15012 10.89458 65.50425 5.440125 -30.35413      12.17731 
1 1 1 26 20 14 o 20.49090 6.615760 -5.753337      6.228708      0.6645278E-01  8.841478      -11.57610      8.777717      23.34137 10.15196 17.64043 8.485918 5.700941       13.23152 
1 1 1 26 20 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 20 16 o 34.75761 7.123428 12.81589       5.757588      7.920490       9.337394      17.70421       6.744461      29.53867 11.29822 39.97654 8.678890 -10.43787      14.24686 
1 1 1 26 20 17 o 26.63861 7.377652 6.164238       5.872357      10.57718       9.819141      1.749876       6.445494      31.88628 11.72349 21.39094 8.959837 10.49534       14.75530 
1 1 1 26 20 18 o 28.21779 6.881129 6.436285       5.540801      1.328347       9.422408      11.54068       5.838351      24.43190 10.55089 32.00369 8.836201 -7.571796      13.76226 
1 1 1 26 20 19 o 31.19081 7.356580 11.47692       5.528049      15.18212       9.379901      7.778800       5.851103      35.55288 11.54624 26.82875 9.119290 8.724121       14.71316 
1 1 1 26 20 20 o 26.47577 7.153964 7.148279       5.380691      9.032760       8.997337      5.264505       5.899987      29.22536 11.11609 23.72619 9.008290 5.499172       14.30793 
1 1 1 26 20 21 o 31.22569 7.162019 11.29272       5.271589      10.81097       8.522675      11.77447       6.204620      30.70419 10.95776 31.74719 9.225269 -1.042995      14.32404 
1 1 1 26 20 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 20 23 o 38.39533 6.729344 18.24972       5.200744      20.41758       8.295970      16.08185       6.271215      40.14127 10.28669 36.64939 8.678730 3.491886       13.45869 
1 1 1 26 20 24 o 25.24179 6.746312 7.516674       4.793385      11.53359       7.658363      3.502585       5.767506      29.58491 10.40440 20.89868 8.590656 8.686226       13.49262 
1 1 1 26 20 25 o 22.27408 6.604583 4.543301       5.034966      6.145111       8.473083      2.940784       5.439492      24.63575 10.29301 19.91241 8.278646 4.723337       13.20917 
1 1 1 26 20 26 o 46.28653 5.785506 26.56694       5.288592      30.22255       8.721042      22.91133       5.987126      47.97377 9.425264 44.59929 6.712131 3.374474       11.57101 
1 1 1 26 20 27 o 23.41399 5.604160 2.043883       4.616271      -9.627860      7.360813      13.71563       5.569139      14.79259 7.264141 32.03539 8.535730 -17.24279      11.20832 
1 1 1 26 20 28 o 55.34509 5.449641 39.08529       5.601020      35.11795       8.990252      43.04553       6.682826      49.39371 9.438136 61.29646 5.451233 -11.90274      10.89928 
1 1 1 26 21 0  o 105.8607 4.450651 113.2814       9.386987      113.2814       9.386987      113.2814       9.386987      105.8607 4.450651 105.8607 4.450651 0.000000       0.000000 
1 1 1 26 21 1  o 68.41374 4.012516 47.65755       5.487668      48.23140       7.630026      47.09079       7.892153      68.85164 5.540917 67.97584 5.805116 0.8758011      8.025031 
1 1 1 26 21 2  o 32.36053 6.476630 10.93850       4.783466      4.412238       6.637485      17.47042       6.891110      24.53818 9.491084 40.18288 8.815114 -15.64470      12.95326 
1 1 1 26 21 3  o 94.05825 3.327969 89.68999       6.256337      85.51013       8.798972      93.79901       8.898154      91.86190 4.789238 96.25460 4.622197 -4.392700      6.655938 
1 1 1 26 21 4  o 34.62804 6.664389 13.04968       4.742376      13.66603       6.684242      12.42624       6.729583      35.41850 9.312283 33.83758 9.536127 1.580917       13.32878 
1 1 1 26 21 5  o 26.25790 6.614447 5.296385       5.071097      14.01318       8.416408      -3.420405      5.657696      35.85746 10.82906 16.65834 7.598364 19.19911       13.22889 
1 1 1 26 21 6  o 49.99755 5.806855 26.65904       5.426032      21.53693       8.678535      31.77406       6.512797      44.22470 10.03918 55.77039 5.838938 -11.54569      11.61371 
1 1 1 26 21 7  o 100.9623 3.349104 103.4340       6.747295      102.0879       10.71888      104.7800       8.196787      100.1020 5.353980 101.8226 4.025034 -1.720619      6.698209 
1 1 1 26 21 8  o 100.3843 3.398155 102.4421       6.758630      97.12873       10.81806      107.6847       8.111773      97.53835 5.545541 103.2303 3.928968 -5.691963      6.796309 
1 1 1 26 21 9  o 31.50729 7.016761 10.90307       5.195077      16.64153       8.572267      5.158237       5.872357      38.60827 10.72481 24.40631 9.050866 14.20196       14.03352 
1 1 1 26 21 10 o 17.03642 5.730119 -8.125941      5.308429      -7.970083      8.465999      -8.281801      6.404404      18.71779 8.790501 15.35505 7.352833 3.362744       11.46024 
1 1 1 26 21 11 o 50.64246 7.055646 28.23180       6.845061      21.18271       11.52651      35.28798       7.389152      42.79314 12.61870 58.49179 6.316401 -15.69866      14.11129 
1 1 1 26 21 12 o 31.70071 8.519508 8.543928       7.785885      14.27530       10.95975      2.812554       11.05185      36.01088 12.46730 27.39054 11.61440 8.620335       17.03902 
1 1 1 26 21 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 21 14 o 38.05910 9.303776 0.000000       0.000000      ?              ?             16.28022       7.032093      ?        ?        38.05910 9.303776 ?              ?        
1 1 1 26 21 15 o 21.60923 6.591108 -0.5614480     5.510338      7.233293       9.294888      -8.352647      5.919823      28.85162 11.21658 14.36684 6.925257 14.48478       13.18222 
1 1 1 26 21 16 o 21.83640 6.697500 0.1193033E-01  5.678241      -1.996417      9.705790      2.019796       5.890777      22.82119 10.23705 20.85162 8.638793 1.969574       13.39500 
1 1 1 26 21 17 o 22.22048 6.423042 2.429281       4.768589      7.608772       7.764632      -2.748085      5.537968      27.85806 10.39218 16.58290 7.551458 11.27515       12.84608 
1 1 1 26 21 18 o 22.57794 6.555685 2.915988       4.879108      1.526005       7.821308      4.305970       5.832684      22.44907 9.652450 22.70681 8.873456 -0.2577477     13.11137 
1 1 1 26 21 19 o 27.13054 6.485521 5.887943       5.037092      -1.334015      7.906322      13.10636       6.244294      20.69231 9.261810 33.56876 9.081123 -12.87645      12.97104 
1 1 1 26 21 20 o 34.23185 7.070952 14.16904       5.629357      8.841478       8.749379      19.49659       7.091603      28.12509 10.89308 40.33861 9.018551 -12.21353      14.14190 
1 1 1 26 21 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 21 22 o 30.65990 7.465355 12.27747       5.707996      17.55543       9.507423      7.002337       6.315140      36.07519 11.61557 25.24461 9.381072 10.83058       14.93071 
1 1 1 26 21 23 o 32.92273 7.292310 14.79247       5.451536      19.12820       9.046929      10.46383       6.090560      37.04164 11.23553 28.80382 9.299148 8.237825       14.58462 
1 1 1 26 21 24 o 17.48522 5.768834 -2.933699      5.022923      -3.627273      8.317224      -2.240833      5.637151      18.75896 8.792319 16.21148 7.470802 2.547485       11.53767 
1 1 1 26 21 25 o 30.30095 6.316529 10.64803       5.281508      1.019462       8.253463      20.26880       6.597104      20.63634 9.339174 39.96556 8.507289 -19.32921      12.63306 
1 1 1 26 21 26 o 19.94409 6.097073 2.177781       4.701286      -1.068345      7.162447      5.424615       6.088435      18.07771 8.365123 21.81047 8.872537 -3.732756      12.19415 
1 1 1 26 21 27 o 16.78595 5.637200 -2.816096      5.124940      -4.488750      6.915907      -1.144150      7.566265      15.75158 7.566319 17.82032 8.358404 -2.068744      11.27440 
1 1 1 26 22 0  o 34.03698 11.16363 15.15378       6.713289      15.15378       6.713289      15.15378       6.713289      34.03698 11.16363 34.03698 11.16363 0.000000       0.000000 
1 1 1 26 22 1  o 103.6849 3.147263 108.9599       6.525549      108.4640       8.990252      109.3850       9.464915      103.4980 4.343202 103.8718 4.556057 -0.3738022     6.294527 
1 1 1 26 22 2  o 80.10738 3.894498 65.50345       6.266964      67.82717       10.11669      63.17973       7.396237      81.30837 6.221187 78.90639 4.686716 2.401978       7.788997 
1 1 1 26 22 3  o 100.4108 3.503973 102.5130       7.048388      104.1424       11.39190      100.8835       8.303054      100.9651 5.641504 99.85655 4.157491 1.108582       7.007946 
1 1 1 26 22 4  o 70.21007 4.338328 50.78183       6.169198      56.98078       9.925409      44.57578       7.325392      74.35174 6.674632 66.06841 5.543793 8.283333       8.676656 
1 1 1 26 22 5  o 32.17628 7.150315 11.28564       5.209246      13.50309       8.558097      9.068183       5.945328      35.12652 10.98363 29.22604 9.157940 5.900480       14.30063 
1 1 1 26 22 6  o 24.11168 6.596261 1.838432       5.202870      -4.104061      8.444746      7.778800       6.081350      20.58241 9.359961 27.64094 9.296976 -7.058525      13.19252 
1 1 1 26 22 7  o 28.46600 7.746250 6.602063       6.399445      6.424241       10.71888      6.780592       6.991002      29.82596 11.91726 27.10604 9.899314 2.719917       15.49250 
1 1 1 26 22 8  o 48.96614 7.025682 26.25522       6.713998      22.73422       11.07310      29.77623       7.594603      44.40343 12.12918 53.52885 7.093935 -9.125412      14.05136 
1 1 1 26 22 9  o 40.98137 8.671263 15.40174       10.15920      7.679617       18.90149      23.12387       7.438744      35.82292 15.18941 46.13982 8.369290 -10.31690      17.34253 
1 1 1 26 22 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 22 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 22 12 o 27.39321 7.381165 5.270881       6.216664      2.029714       10.71888      8.508506       6.296719      26.44508 11.33277 28.34134 9.460160 -1.896254      14.76233 
1 1 1 26 22 13 o 62.90198 4.623098 41.23898       5.769631      39.88583       9.330310      42.59212       6.789802      61.42287 7.595143 64.38108 5.273135 -2.958210      9.246197 
1 1 1 26 22 14 o 27.28253 7.011998 7.105771       5.141234      6.014048       8.430575      8.196787       5.882984      26.96272 10.63288 27.60234 9.144086 -0.6396160     14.02400 
1 1 1 26 22 15 o 43.90115 6.141087 22.36582       5.496878      32.29832       9.131943      12.44041       6.122441      54.65328 8.354434 33.14901 9.003067 21.50426       12.28217 
1 1 1 26 22 16 o 26.80042 6.926941 7.459997       4.964830      11.25021       8.026759      3.676865       5.846852      31.40155 10.68101 22.19930 8.823044 9.202251       13.85388 
1 1 1 26 22 17 o 29.53810 6.977314 10.21588       5.085267      15.81973       8.274716      4.614855       5.913447      36.04251 10.70793 23.03369 8.948287 13.00882       13.95463 
1 1 1 26 22 18 o 27.85007 6.460801 5.370772       5.334641      -4.299594      8.352647      15.04043       6.636776      19.70748 9.086445 35.99265 9.187181 -16.28517      12.92160 
1 1 1 26 22 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 22 20 o 15.94617 7.942766 0.000000       0.000000      ?              ?             -15.77722      10.11669      ?        ?        15.94617 7.942766 ?              ?        
1 1 1 26 22 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 22 22 o 45.64956 6.759572 26.21272       6.027507      27.87758       9.634944      24.54785       7.240376      45.95919 10.67673 45.33992 8.293056 0.6192703      13.51914 
1 1 1 26 22 23 o 25.61630 7.163553 7.715039       5.550720      11.10144       8.076350      4.334308       7.615856      28.56679 10.61020 22.66581 9.627541 5.900986       14.32711 
1 1 1 26 22 24 o 19.57265 6.056199 0.5184450      4.837308      -3.841934      7.360813      4.879108       6.282550      17.26520 8.133482 21.88010 8.975335 -4.614904      12.11240 
1 1 1 26 22 25 o 39.41624 6.849667 23.09553       5.654153      33.31849       9.124859      12.87965       6.684951      49.14964 9.625956 29.68285 9.747448 19.46679       13.69933 
1 1 1 26 22 26 o 18.33624 5.838093 0.6376775      4.761505      -2.339308      7.488335      3.614521       5.885109      17.20649 8.139536 19.46599 8.371456 -2.259506      11.67619 
1 1 1 26 23 0  o 18.23059 11.03135 3.843351       7.240376      3.843351       7.240376      3.843351       7.240376      18.23059 11.03135 18.23059 11.03135 0.000000       0.000000 
1 1 1 26 23 1  o 19.01774 6.007075 -3.272339      4.839434      1.892983       7.360813      -8.437660      6.280425      22.97251 9.595595 15.06297 7.229409 7.909538       12.01415 
1 1 1 26 23 2  o 98.57488 4.257713 100.0334       8.515590      106.9762       14.86332      93.09056       8.295970      101.3547 7.332331 95.79510 4.330060 5.559570       8.515427 
1 1 1 26 23 3  o 70.20435 5.429322 51.58237       7.459997      47.67172       12.41916      55.48595       8.267632      66.82318 9.292553 73.58552 5.617703 -6.762337      10.85864 
1 1 1 26 23 4  o 108.8148 4.003705 121.4995       8.713958      122.7038       14.48075      120.2243       9.698705      108.8498 6.651716 108.7799 4.457948 0.6983185E-01  8.007410 
1 1 1 26 23 5  o 28.41598 7.470802 5.264505       6.409364      -0.3144109     10.65512      10.84640       7.127024      25.24274 11.06078 31.58922 10.04543 -6.346481      14.94160 
1 1 1 26 23 6  o 65.68907 9.097651 50.07337       11.56193      45.98560       20.47426      54.15405       10.75430      59.58297 16.58238 71.79517 7.489569 -12.21220      18.19530 
1 1 1 26 23 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 23 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 23 9  o 48.56127 7.265972 26.65196       7.183701      29.95334       12.74505      23.35057       6.628275      49.94401 12.72129 47.17852 7.024674 2.765488       14.53194 
1 1 1 26 23 10 o 53.14557 5.223320 29.92500       5.647778      34.65038       9.224042      25.19963       6.518465      57.11284 8.075279 49.17830 6.627380 7.934544       10.44664 
1 1 1 26 23 11 o 30.88851 7.433901 10.44966       5.582600      13.87857       8.813140      7.022174       6.852854      34.88953 11.17838 26.88749 9.802823 8.002033       14.86780 
1 1 1 26 23 12 f 24.75632 6.768759 3.781007       5.190118      -0.3041383     8.317224      7.863815       6.213830      22.18942 9.747224 27.32323 9.394466 -5.133816      13.53752 
1 1 1 26 23 13 o 26.24940 7.109257 6.038135       5.353770      5.644236       8.770633      6.431325       6.145111      26.89388 10.76569 25.60493 9.287956 1.288958       14.21851 
1 1 1 26 23 14 o 48.05748 6.070216 25.67429       5.609521      24.24322       9.202788      27.10536       6.417865      45.38461 10.36236 50.73035 6.325469 -5.345741      12.14043 
1 1 1 26 23 15 o 66.20070 4.628415 46.77198       6.148653      48.72731       10.06710      44.80958       7.066806      66.92622 7.521044 65.47518 5.396554 1.451035       9.256830 
1 1 1 26 23 16 o 25.32402 7.167253 4.718289       5.796553      3.188741       9.741212      6.247128       6.290343      25.46988 10.85552 25.17815 9.361392 0.2917328      14.33451 
1 1 1 26 23 17 o 21.45305 6.646985 -2.676531      6.242877      -10.16628      10.32214      4.813221       7.022174      19.17960 9.220446 23.72650 9.576692 -4.546898      13.29397 
1 1 1 26 23 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 23 19 o 30.21148 7.617727 10.62678       6.317265      7.219123       10.25130      14.03443       7.382068      27.24035 11.34762 33.18260 10.16615 -5.942245      15.23545 
1 1 1 26 23 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 23 21 o 27.07557 7.393446 8.997337       5.740584      11.06602       9.209873      6.933618       6.857105      29.20849 11.20661 24.94265 9.646971 4.265837       14.78689 
1 1 1 26 23 22 o 42.91219 6.246564 24.27864       5.548594      11.05893       8.097604      37.49835       7.587519      28.36137 10.60616 57.46301 6.602090 -29.10164      12.49313 
1 1 1 26 23 23 o 27.64414 7.249427 10.86057       5.408321      8.232210       7.502505      13.49601       7.792970      25.12599 9.991891 30.16229 10.50614 -5.036303      14.49885 
1 1 1 26 23 24 o 19.65090 6.081884 2.467537       4.638234      1.569221       7.254546      3.365146       5.783092      19.56674 8.810645 19.73507 8.386288 -0.1683254     12.16377 
1 1 1 26 23 25 o 38.73618 6.679398 22.31623       5.468539      20.56635       8.976085      24.06610       6.252795      33.64290 11.29497 43.82946 7.133097 -10.18656      13.35880 
1 1 1 26 24 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 24 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 24 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 24 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 24 4  o 33.77236 9.065456 11.25021       8.586436      15.18921       12.27038      7.318307       12.02243      36.75965 13.14517 30.78507 12.48737 5.974588       18.13091 
1 1 1 26 24 5  o 27.04169 7.281820 6.628275       5.537968      7.849646       9.103605      5.406904       6.313014      29.27672 11.16813 24.80666 9.347328 4.470066       14.56364 
1 1 1 26 24 6  o 27.77615 7.343354 7.155363       5.588976      7.459997       9.032760      6.854979       6.584351      28.93225 11.09900 26.62005 9.618299 2.312193       14.68671 
1 1 1 26 24 7  o 34.95303 6.982801 13.04968       5.579766      8.295970       9.089437      17.80339       6.475958      29.68947 11.20784 40.21658 8.332006 -10.52711      13.96560 
1 1 1 26 24 8  o 40.30467 7.034103 18.59686       5.720748      20.12003       9.294888      17.06660       6.674324      41.51712 11.01145 39.09222 8.755704 2.424892       14.06821 
1 1 1 26 24 9  o 46.39594 6.419651 23.95984       5.746961      20.13420       9.280719      27.79256       6.777758      41.32963 11.02194 51.46226 6.585174 -10.13263      12.83930 
1 1 1 26 24 10 o 67.92228 4.542816 48.33058       6.137318      47.39542       9.932493      49.25865       7.204955      66.73859 7.441343 69.10597 5.212976 -2.367386      9.085631 
1 1 1 26 24 11 o 46.19823 6.795261 24.37074       6.086309      22.89716       9.181536      25.84432       7.991336      44.22796 10.51897 48.16850 8.605435 -3.940536      13.59052 
1 1 1 26 24 12 o 22.57389 6.819139 2.063012       5.482000      4.082807       8.940661      0.4263463E-01  6.339935      25.49890 10.60823 19.64887 8.571357 5.850031       13.63828 
1 1 1 26 24 13 o 21.37617 6.643941 -1.465078      5.930449      -5.801512      9.960832      2.872063       6.440535      20.83080 9.725457 21.92155 9.054464 -1.090746      13.28788 
1 1 1 26 24 14 o 101.1804 4.266140 107.8264       8.579351      105.9844       13.96358      109.6683       9.975000      99.40175 7.023813 102.9591 4.844159 -3.557320      8.532281 
1 1 1 26 24 15 o 35.46563 8.226907 15.98976       6.848603      17.69713       11.09435      14.28947       8.026759      36.83325 12.55721 34.09801 10.63224 2.735233       16.45381 
1 1 1 26 24 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 24 17 o 46.89705 7.307174 30.08086       6.701954      27.96259       10.18045      32.19913       8.721042      43.50912 11.51690 50.28497 8.996681 -6.775848      14.61435 
1 1 1 26 24 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 24 19 o 34.99512 7.305482 16.81156       5.650611      23.13095       9.195704      10.49217       6.573724      41.26103 10.95666 28.72921 9.666017 12.53182       14.61096 
1 1 1 26 24 20 o 23.80087 6.758276 5.304179       5.175241      3.027923       8.267632      7.580434       6.225874      22.43633 9.787696 25.16541 9.321919 -2.729080      13.51655 
1 1 1 26 24 21 o 25.61138 7.066427 8.012589       5.506795      7.339560       9.117774      8.685618       6.175574      25.26669 10.62321 25.95607 9.321213 -0.6893787     14.13285 
1 1 1 26 24 22 o 22.59735 6.468915 5.353770       4.828807      11.28564       7.459997      -0.5782384     6.134484      27.77673 10.21797 17.41798 7.936023 10.35875       12.93783 
1 1 1 26 24 23 o 24.57955 6.368545 6.048761       5.072515      -2.192658      7.757547      14.28947       6.539010      17.90281 8.409324 31.25629 9.566436 -13.35349      12.73709 
1 1 1 26 25 0  o 73.08421 7.479084 56.56279       10.72596      56.56279       10.72596      56.56279       10.72596      73.08421 7.479084 73.08421 7.479084 0.000000       0.000000 
1 1 1 26 25 1  o 31.30789 7.857411 10.37173       6.279717      14.00609       9.535762      6.728875       8.168448      35.09210 11.64177 27.52368 10.55579 7.568420       15.71482 
1 1 1 26 25 2  o 33.37913 7.874776 12.12869       6.404404      16.68404       8.990252      7.566265       9.117774      37.85879 11.13811 28.89948 11.13512 8.959311       15.74955 
1 1 1 26 25 3  o 35.57779 7.685811 14.06985       6.597811      23.13095       9.670367      5.008754       8.983169      44.47947 10.93332 26.67612 10.80506 17.80335       15.37162 
1 1 1 26 25 4  o 27.15651 7.988036 4.475290       7.212039      4.916656       11.34231      4.033216       8.898154      28.49365 11.90716 25.81938 10.65150 2.674276       15.97607 
1 1 1 26 25 5  o 72.50554 4.621496 55.16005       6.706913      54.03362       8.898154      56.29358       10.03876      71.94067 6.184371 73.07040 6.869239 -1.129738      9.242991 
1 1 1 26 25 6  o 59.60477 5.367970 37.90925       6.359772      35.62804       9.542846      40.19755       8.402238      57.43980 8.306823 61.76974 6.801258 -4.329937      10.73594 
1 1 1 26 25 7  o 92.45340 3.950129 88.91070       7.353730      99.96254       11.42024      77.92970       9.273635      98.06096 5.823032 86.84583 5.339136 11.21513       7.900259 
1 1 1 26 25 8  o 46.38770 7.637444 26.76531       7.382068      38.42642       12.90091      15.09711       7.183701      56.63519 11.77994 36.14020 9.723949 20.49498       15.27489 
1 1 1 26 25 9  o 54.49026 5.587167 32.51085       6.161405      38.02969       9.790804      26.99201       7.481250      58.92206 8.308266 50.05846 7.472515 8.863605       11.17433 
1 1 1 26 25 10 o 31.77756 7.650500 10.89599       6.694161      22.45084       10.56302      -0.6631109     8.225125      42.11127 11.97300 21.44385 9.527218 20.66743       15.30100 
1 1 1 26 25 11 o 47.22970 6.904556 27.22580       6.679992      39.00027       11.00226      15.44425       7.580434      58.57380 9.391790 35.88559 10.12353 22.68821       13.80911 
1 1 1 26 25 12 f 22.92886 7.173316 0.3989292      6.499337      2.826723       10.61261      -2.029006      7.502505      26.03664 11.22010 19.82108 8.940656 6.215563       14.34663 
1 1 1 26 25 13 f 24.91305 7.662776 3.729999       7.176617      7.792970       11.73905      -0.3343893     8.246379      28.66006 12.05210 21.16603 9.466751 7.494028       15.32555 
1 1 1 26 25 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 25 15 o 21.71551 7.437654 -4.711913      9.904156      -2.162195      15.25297      -7.261631      12.63170      23.09472 11.12840 20.33630 9.870838 2.758413       14.87531 
1 1 1 26 25 16 o 36.28109 8.975413 18.88733       8.444746      20.97017       14.39574      16.79739       8.813140      37.01553 14.06621 35.54664 11.15231 1.468887       17.95083 
1 1 1 26 25 17 o 25.54445 7.083473 7.304138       5.573390      13.89274       8.954830      0.7141194      6.636776      31.57024 11.23561 19.51867 8.629223 12.05157       14.16695 
1 1 1 26 25 18 o 32.50026 6.983540 13.41808       5.355896      9.840395       8.501422      16.99576       6.514922      28.01999 10.76223 36.98052 8.902453 -8.960533      13.96708 
1 1 1 26 25 19 o 30.24623 7.112076 12.27747       5.318347      10.30797       8.458915      14.24696       6.445494      27.66500 10.71159 32.82746 9.358860 -5.162460      14.22415 
1 1 1 26 25 20 o 40.09042 6.640430 21.36691       5.447286      18.61103       8.621859      24.12278       6.661572      35.13454 11.03213 45.04629 7.394141 -9.911751      13.28086 
1 1 1 26 25 21 o 65.19401 4.490739 49.30116       5.870940      52.02869       9.252379      46.57362       7.233293      66.02884 7.006318 64.35918 5.619473 1.669662       8.981479 
1 1 1 26 25 22 o 30.85020 7.047481 14.70746       5.166739      12.75213       7.955913      16.66987       6.591435      27.88169 10.49585 33.81872 9.407714 -5.937031      14.09496 
1 1 1 26 26 0  o 101.8824 5.290614 106.4095       10.71888      106.4095       10.71888      106.4095       10.71888      101.8824 5.290614 101.8824 5.290614 0.000000       0.000000 
1 1 1 26 26 1  o 114.2181 3.522532 134.5350       8.033843      127.1671       11.34940      141.9737       11.38482      110.9827 5.113136 117.4536 4.846520 -6.470810      7.045064 
1 1 1 26 26 2  o 33.34440 7.286118 12.53960       5.679658      7.008005       8.062181      18.07261       7.998421      27.36997 10.48979 39.31882 10.11506 -11.94885      14.57224 
1 1 1 26 26 3  o 61.87209 4.990420 40.85641       6.166365      44.72456       8.898154      36.98827       8.536844      64.91490 6.853707 58.82927 7.255610 6.085636       9.980841 
1 1 1 26 26 4  o 30.69559 7.388484 9.656199       5.930449      3.589725       8.763549      15.72054       7.991336      25.01463 10.46070 36.37654 10.43707 -11.36190      14.77697 
1 1 1 26 26 5  o 23.04343 7.041142 1.202951       5.998462      4.050928       8.862731      -1.645025      8.083434      25.32150 10.54988 20.76537 9.327955 4.556124       14.08228 
1 1 1 26 26 6  o 24.74746 7.367419 0.7672533      6.802555      9.797889       9.804973      -8.260548      9.429493      30.25718 11.57631 19.23774 9.116165 11.01944       14.73484 
1 1 1 26 26 7  o 30.02646 8.853266 10.50634       9.174451      19.41158       16.87532      1.596850       7.212039      38.30559 15.06326 21.74733 9.306953 16.55826       17.70653 
1 1 1 26 26 8  o 48.56760 9.628627 31.88741       10.44258      37.59045       18.66770      26.18438       9.372816      50.25191 16.28584 46.88329 10.27682 3.368629       19.25725 
1 1 1 26 26 9  o 44.73389 8.255917 25.35549       7.665448      33.12012       12.50417      17.58377       8.855647      51.41555 12.30566 38.05223 11.00960 13.36333       16.51183 
1 1 1 26 26 10 f 24.35461 7.955319 -3.785967      9.117774      -10.61969      11.60444      3.050593       14.06277      20.64467 9.888615 28.06455 12.46450 -7.419880      15.91064 
1 1 1 26 26 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 26 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 26 13 o 69.18500 5.562885 55.50011       7.658363      55.00420       11.93741      55.99603       9.585353      67.63864 8.824403 70.73135 6.775888 -3.092705      11.12577 
1 1 1 26 26 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 26 15 o 21.87258 6.800989 0.9415324      6.009797      -3.589017      8.990252      5.472790       7.977167      19.64328 9.195001 24.10188 10.02326 -4.458593      13.60198 
1 1 1 26 26 16 o 29.05737 6.676943 8.033843       5.712247      -3.438825      8.430575      19.50368       7.707955      19.25410 8.973010 38.86063 9.889963 -19.60653      13.35389 
1 1 1 26 26 17 o 34.97023 6.891023 16.28022       5.376441      11.42024       8.246379      21.14020       6.899612      28.83248 10.71883 41.10797 8.663219 -12.27549      13.78205 
1 1 1 26 26 18 o 31.25058 6.238367 12.80881       5.349519      28.11845       8.713958      -2.502252      6.211705      45.85666 9.789177 16.64450 7.735689 29.21216       12.47673 
1 1 1 26 26 19 o 17.98104 5.874052 -0.9096521     4.922323      0.9401155      7.644195      -2.759420      6.200370      19.73370 8.955644 16.22838 7.603578 3.505325       11.74810 
1 1 1 26 26 20 o 27.02134 7.169099 11.12978       5.314096      11.97992       8.345562      10.28672       6.577267      27.47888 10.63957 26.56380 9.611629 0.9150810      14.33820 
1 1 1 26 26 21 o 19.16873 6.093202 1.873855       5.059763      -0.4325806     7.849646      4.179866       6.383859      18.26362 8.556826 20.07385 8.676932 -1.810228      12.18640 
1 1 1 26 27 0  f 122.8500 4.924714 154.3716       12.05785      154.3716       12.05785      154.3716       12.05785      122.8500 4.924714 122.8500 4.924714 0.000000       0.000000 
1 1 1 26 27 1  o 43.16862 7.729168 22.60670       6.992419      28.83399       8.933578      16.38649       10.76138      50.04317 9.274115 36.29407 12.36733 13.74910       15.45834 
1 1 1 26 27 2  f 49.21072 7.127943 28.42308       6.848603      34.96918       8.777717      21.88408       10.51342      56.68487 7.742558 41.73656 11.97009 14.94831       14.25589 
1 1 1 26 27 3  o 36.64767 8.184737 16.28022       6.873399      19.21321       9.188620      13.34723       10.22296      39.65886 11.13217 33.63647 12.00144 6.022388       16.36947 
1 1 1 26 27 4  o 53.45872 7.041720 35.04711       7.275800      55.06796       10.05293      15.02626       10.52759      71.72066 7.008393 35.19678 12.21580 36.52388       14.08344 
1 1 1 26 27 5  o 50.70326 7.865140 31.22855       8.161365      42.29457       9.882903      20.16254       12.98592      62.14864 7.951021 39.25788 13.57288 22.89075       15.73028 
1 1 1 26 27 6  o 47.58791 8.072177 28.90483       7.665448      31.50485       9.939578      26.31190       11.66820      50.99583 10.10479 44.17999 12.59100 6.815842       16.14435 
1 1 1 26 27 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 27 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 27 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 27 10 o 27.31270 8.288320 10.29380       8.281801      20.19796       14.64370      0.3887984      7.743378      34.30902 13.83716 20.31639 9.127874 13.99263       16.57664 
1 1 1 26 27 11 o 23.99163 7.592182 3.040675       7.552096      6.398736       13.40391      -0.3175989     6.964081      28.36571 12.41762 19.61755 8.738852 8.748159       15.18436 
1 1 1 26 27 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 27 13 o 21.46350 6.957716 0.5834809      6.661572      8.019674       11.59735      -6.852146      6.556013      27.56177 11.79890 15.36522 7.377347 12.19655       13.91543 
1 1 1 26 27 14 o 25.30113 7.103580 6.257046       5.739168      13.05677       8.735210      -0.5427449     7.445828      30.95854 11.08905 19.64373 8.881241 11.31481       14.20716 
1 1 1 26 27 15 o 30.67330 7.492378 13.24096       5.603145      14.40283       8.239295      12.07202       7.594603      31.75984 10.82149 29.58677 10.36524 2.173065       14.98476 
1 1 1 26 27 16 o 21.83396 9.324280 0.000000       0.000000      ?              ?             3.948202       7.212039      ?        ?        21.83396 9.324280 ?              ?        
1 1 1 26 27 17 o 29.49897 7.352245 12.90091       5.514588      11.32814       8.274716      14.47367       7.289969      27.60007 10.61337 31.39786 10.17735 -3.797789      14.70449 
1 1 1 26 27 18 o 24.96799 7.051303 8.770633       5.362980      11.40607       8.069265      6.129525       7.068224      27.23206 10.47892 22.70393 9.437990 4.528124       14.10261 
1 1 1 26 27 19 o 33.61567 6.760051 17.35707       5.488376      8.437660       7.856731      26.28356       7.665448      23.98303 9.958909 43.24831 9.144031 -19.26529      13.52010 
1 1 1 26 28 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 28 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 28 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 28 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 28 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 28 5  o 31.35110 14.26902 0.000000       0.000000      ?              ?             24.33532       19.71621      ?        ?        31.35110 14.26902 ?              ?        
1 1 1 26 28 6  o 29.12938 7.771215 10.70471       6.194703      9.634944       8.614774      11.77447       8.905238      28.14545 10.82797 30.11332 11.14998 -1.967861      15.54243 
1 1 1 26 28 7  o 44.83662 8.082507 26.16313       8.076350      20.38924       13.39682      31.92992       9.025676      37.16561 13.69087 52.50763 8.594633 -15.34202      16.16501 
1 1 1 26 28 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 28 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 28 10 o 30.41169 7.127870 12.08619       5.066138      12.72379       7.601687      11.45567       6.696995      30.98175 10.39433 29.84163 9.756227 1.140121       14.25574 
1 1 1 26 28 11 o 26.37694 7.144041 7.034926       5.749086      2.736749       9.046929      11.33523       7.098687      23.12289 10.16149 29.63098 10.04457 -6.508085      14.28808 
1 1 1 26 28 12 o 23.58791 7.271310 5.272298       6.505713      10.69762       11.28564      -0.1508294     6.475249      28.56115 11.90262 18.61467 8.355560 9.946478       14.54262 
1 1 1 26 28 13 o 34.55912 6.987803 14.61536       6.772799      5.168864       11.52651      24.06610       7.112856      25.02646 11.19285 44.09177 8.368850 -19.06531      13.97561 
1 1 1 26 28 14 o 33.27081 8.026065 17.37832       6.864897      19.93583       11.94450      14.82790       6.774924      33.70465 12.81141 32.83698 9.671537 0.8676796      16.05213 
1 1 1 26 28 15 o 18.90030 6.235506 -2.760128      6.266256      -6.361189      10.74721      0.8409322      6.444077      19.18078 9.265562 18.61982 8.347184 0.5609627      12.47101 
1 1 1 26 28 16 o 37.49009 7.748870 22.51460       6.958413      22.01160       12.00117      23.01760       7.042719      33.37991 12.79680 41.60027 8.741956 -8.220356      15.49774 
1 1 1 26 28 17 o 18.23385 6.123705 -1.371563      6.104729      -0.2507211E-01 10.37173      -2.718330      6.443369      20.33832 9.602751 16.12938 7.601727 4.208942       12.24741 
1 1 1 26 29 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 29 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 29 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 29 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 26 29 4  o 29.52302 8.203100 11.76030       7.077433      12.61044       10.48509      10.90307       9.514507      30.20520 11.87489 28.84084 11.32035 1.364355       16.40620 
1 1 1 26 29 5  o 19.06964 6.326850 -4.788426      6.186910      -0.9294887     8.961915      -8.643111      8.529759      20.94791 9.557166 17.19138 8.293171 3.756529       12.65370 
1 1 1 26 29 6  o 32.81054 7.802604 14.47367       6.271924      11.22896       9.337394      17.72546       8.380984      29.40524 11.28340 36.21584 10.77995 -6.810602      15.60521 
1 1 1 26 29 7  o 43.79799 7.171484 24.85957       6.434867      18.69604       9.663282      31.02311       8.501422      36.23047 11.71487 51.36552 8.275417 -15.13505      14.34297 
1 1 1 26 29 8  o 41.30373 7.448132 23.18763       6.234376      27.74297       9.422408      18.62520       8.168448      45.60021 10.53547 37.00726 10.53102 8.592953       14.89626 
1 1 1 26 29 9  o 26.16148 7.382782 7.984251       6.008380      5.317639       9.039845      10.64803       7.920490      24.16926 10.38410 28.15371 10.49725 -3.984451      14.76556 
1 1 1 26 29 10 o 36.06212 7.369166 18.96525       6.280425      30.08086       9.670367      7.849646       8.019674      46.70075 10.59463 25.42350 10.24559 21.27725       14.73833 
1 1 1 26 29 11 o 24.37262 6.781641 4.096977       5.792302      -5.573390      8.579351      13.76522       7.785885      17.91344 8.561677 30.83181 10.51952 -12.91837      13.56328 
1 1 1 26 29 12 o 37.36979 7.592588 20.94184       6.106854      17.59794       8.834394      24.27864       8.437660      33.42625 11.20547 41.31332 10.24827 -7.887074      15.18518 
1 1 1 26 29 13 o 14.97197 5.176250 -8.756464      5.158237      -10.42841      7.977167      -7.084518      6.539010      15.27439 7.520453 14.66956 7.114565 0.6048346      10.35250 
1 1 1 26 29 14 o 24.46313 6.846669 7.934660       5.203578      5.652028       8.033843      10.22296       6.620482      22.50037 9.729947 26.42589 9.635125 -3.925512      13.69334 
1 1 1 26 29 15 o 20.04485 6.335869 2.952118       5.294260      8.274716       8.295970      -2.368354      6.580100      23.73070 10.06260 16.35900 7.701752 7.371695       12.67174 
1 1 1 26 30 0  o 14.63558 9.784269 0.1467912E-01  7.594603      0.1467912E-01  7.594603      0.1467912E-01  7.594603      14.63558 9.784269 14.63558 9.784269 0.000000       0.000000 
1 1 1 26 30 1  o 30.31047 7.338403 12.53251       5.409738      14.86332       7.736294      10.20170       7.566265      32.76826 10.47064 27.85267 10.28466 4.915583       14.67681 
1 1 1 26 30 2  o 45.65326 6.496027 27.09828       5.839768      16.81865       8.140111      37.38500       8.373900      34.57684 10.69211 56.72968 7.380528 -22.15284      12.99205 
1 1 1 26 30 3  o 18.79665 6.099889 -2.099851      5.319765      1.603226       7.431659      -5.802928      7.615856      20.62657 9.123614 16.96673 8.099029 3.659840       12.19978 
1 1 1 26 30 4  o 39.24141 7.450515 21.45192       6.022548      22.69880       8.048012      20.19796       8.961915      41.23514 9.874450 37.24767 11.15957 3.987473       14.90103 
1 1 1 26 30 5  f 19.33298 6.274309 -1.122187      5.568431      -0.8317224     7.459997      -1.413361      8.267632      19.09184 8.712863 19.57414 9.030716 -0.4823017     12.54862 
1 1 1 26 30 6  o 29.17206 8.088001 12.05077       7.289969      10.17337       11.75322      13.92108       8.614774      27.60035 11.84871 30.74376 11.01231 -3.143415      16.17600 
1 1 1 26 30 7  o 27.61041 7.389316 10.71179       5.618022      8.706873       7.424574      12.71671       8.430575      25.79626 10.02558 29.42456 10.85798 -3.628296      14.77863 
1 1 1 26 30 8  o 23.01909 7.113491 5.294260       6.277591      3.458662       6.986751      7.127024       10.42841      21.04532 9.086883 24.99286 10.94694 -3.947544      14.22698 
1 1 1 26 30 9  o 23.66561 7.024709 6.741627       5.642110      4.317306       7.289969      9.167366       8.614774      21.65031 9.314213 25.68091 10.51816 -4.030607      14.04942 
1 1 1 26 30 10 o 19.92360 6.445752 0.7651279      5.778132      -0.7254547     8.104689      2.255710       8.239295      19.09689 8.860298 20.75031 9.364080 -1.653427      12.89150 
1 1 1 26 30 11 o 32.08656 7.593362 16.55652       5.808597      14.43116       8.338477      18.68187       8.090520      29.72604 10.81570 34.44707 10.66101 -4.721031      15.18672 
1 1 1 26 30 12 o 20.82802 6.536329 3.235499       5.617314      -0.1098809     8.380984      6.581517       7.481250      19.07441 8.911444 22.58162 9.564547 -3.507212      13.07266 
1 1 1 26 31 0  o 14.38822 9.652645 0.2652443      7.530843      0.2652443      7.530843      0.2652443      7.530843      14.38822 9.652645 14.38822 9.652645 0.000000       0.000000 
1 1 1 26 31 1  o 26.47233 6.727851 8.784801       5.156112      16.01810       7.311223      1.550801       7.275800      33.12282 10.11107 19.82184 8.878188 13.30098       13.45570 
1 1 1 26 31 2  o 20.37936 6.327110 1.630856       5.209954      -3.553594      7.289969      6.816014       7.445828      17.10357 8.068149 23.65515 9.748552 -6.551586      12.65422 
1 1 1 26 31 3  o 21.42210 6.594311 3.900027       5.286468      3.884441       7.417490      3.915613       7.530843      21.37832 9.298370 21.46589 9.353078 -0.8757591E-01 13.18862 
1 1 1 26 31 4  o 18.23540 5.991401 -1.375813      5.267339      -0.7509589     7.396237      -2.001376      7.495420      18.50926 8.540236 17.96155 8.405470 0.5477123      11.98280 
1 1 1 26 31 5  o 26.34662 7.151800 10.15211       5.304179      10.15920       7.374983      10.14503       7.622942      26.38483 10.05580 26.30841 10.17221 0.7641411E-01  14.30360 
1 1 1 26 31 6  o 17.00544 5.685214 -3.584766      5.153278      -0.9804973     7.204955      -6.189034      7.367898      18.08550 8.376827 15.92538 7.688654 2.160125       11.37043 
1 1 1 26 31 7  o 21.44338 6.331041 3.027923       5.084558      11.22896       7.382068      -5.175949      6.991002      27.06200 10.12544 15.82475 7.602883 11.23725       12.66208 
1 1 1 26 31 8  o 20.63406 6.533677 3.029340       5.720748      4.354145       6.961247      1.704535       9.082352      20.83637 9.034385 20.43175 9.441167 0.4046211      13.06735 
1 1 1 26 31 9  o 19.62186 6.203956 2.964162       5.001670      2.100559       6.764297      3.827057       7.367898      18.89940 8.509075 20.34432 9.030609 -1.444927      12.40791 
1 1 1 26 32 0  f 39.57676 11.06881 22.40833       7.573349      22.40833       7.573349      22.40833       7.573349      39.57676 11.06881 39.57676 11.06881 0.000000       0.000000 
1 1 1 26 32 1  o 14.96151 5.135695 -6.917324      4.885483      -2.820347      6.806805      -11.01642      7.009422      16.31564 7.738021 13.60737 6.754591 2.708272       10.27139 
1 1 1 26 32 2  o 18.92150 6.105221 1.632982       5.134858      2.506502       7.459997      0.7594603      7.056180      19.54618 8.860606 18.29683 8.401460 1.249350       12.21044 
1 1 1 26 32 3  f 19.80146 6.264965 1.537340       5.468539      8.026759       7.530843      -4.948535      7.934660      23.18664 9.696750 16.41629 7.935502 6.770355       12.52993 
1 1 1 27 0  1  o 45.73187 5.920633 22.02577       5.270173      22.02577       5.270173      22.02577       5.270173      45.73187 5.920633 45.73187 5.920633 0.000000       0.000000 
1 1 1 27 0  2  o 79.69536 3.892953 64.07238       6.173449      64.07238       6.173449      64.07238       6.173449      79.69536 3.892953 79.69536 3.892953 0.000000       0.000000 
1 1 1 27 0  3  o 212.5244 3.328667 452.5590       14.14070      452.5590       14.14070      452.5590       14.14070      212.5244 3.328667 212.5244 3.328667 0.000000       0.000000 
1 1 1 27 0  4  o 78.54594 3.910767 62.25874       6.111105      62.25874       6.111105      62.25874       6.111105      78.54594 3.910767 78.54594 3.910767 0.000000       0.000000 
1 1 1 27 0  5  o 141.3277 3.201839 200.2793       9.039845      200.2793       9.039845      200.2793       9.039845      141.3277 3.201839 141.3277 3.201839 0.000000       0.000000 
1 1 1 27 0  6  o 197.2599 3.290031 389.9318       12.97175      389.9318       12.97175      389.9318       12.97175      197.2599 3.290031 197.2599 3.290031 0.000000       0.000000 
1 1 1 27 0  7  o 56.71815 4.894918 32.97134       5.473498      32.97134       5.473498      32.97134       5.473498      56.71815 4.894918 56.71815 4.894918 0.000000       0.000000 
1 1 1 27 0  8  o 213.0429 3.365515 454.8261       14.33198      454.8261       14.33198      454.8261       14.33198      213.0429 3.365515 213.0429 3.365515 0.000000       0.000000 
1 1 1 27 0  9  o 26.37404 10.33180 9.642029       5.192952      9.642029       5.192952      9.642029       5.192952      26.37404 10.33180 26.37404 10.33180 0.000000       0.000000 
1 1 1 27 0  10 o 11.85688 7.865958 -0.7814224     4.714746      -0.7814224     4.714746      -0.7814224     4.714746      11.85688 7.865958 11.85688 7.865958 0.000000       0.000000 
1 1 1 27 0  11 o 136.4688 3.720499 187.0313       10.13795      187.0313       10.13795      187.0313       10.13795      136.4688 3.720499 136.4688 3.720499 0.000000       0.000000 
1 1 1 27 0  12 o 155.5212 3.269395 242.5739       10.15920      242.5739       10.15920      242.5739       10.15920      155.5212 3.269395 155.5212 3.269395 0.000000       0.000000 
1 1 1 27 0  13 o 85.17610 3.954093 73.18307       6.704788      73.18307       6.704788      73.18307       6.704788      85.17610 3.954093 85.17610 3.954093 0.000000       0.000000 
1 1 1 27 0  14 o 168.5939 3.316232 285.0810       11.17229      285.0810       11.17229      285.0810       11.17229      168.5939 3.316232 168.5939 3.316232 0.000000       0.000000 
1 1 1 27 0  15 o 46.31297 5.997294 22.64212       5.406196      22.64212       5.406196      22.64212       5.406196      46.31297 5.997294 46.31297 5.997294 0.000000       0.000000 
1 1 1 27 0  16 o 71.78323 4.553379 52.32625       6.483042      52.32625       6.483042      52.32625       6.483042      71.78323 4.553379 71.78323 4.553379 0.000000       0.000000 
1 1 1 27 0  17 o 159.3989 4.074862 255.3969       12.97175      255.3969       12.97175      255.3969       12.97175      159.3989 4.074862 159.3989 4.074862 0.000000       0.000000 
1 1 1 27 0  18 o 118.0053 3.594472 139.9901       8.465999      139.9901       8.465999      139.9901       8.465999      118.0053 3.594472 118.0053 3.594472 0.000000       0.000000 
1 1 1 27 0  19 o 10.91772 7.649536 -5.112897      5.924782      -5.112897      5.924782      -5.112897      5.924782      10.91772 7.649536 10.91772 7.649536 0.000000       0.000000 
1 1 1 27 0  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 0  21 o 189.5786 3.564156 361.0270       13.50309      361.0270       13.50309      361.0270       13.50309      189.5786 3.564156 189.5786 3.564156 0.000000       0.000000 
1 1 1 27 0  22 o 17.33455 10.10208 3.934741       5.687451      3.934741       5.687451      3.934741       5.687451      17.33455 10.10208 17.33455 10.10208 0.000000       0.000000 
1 1 1 27 0  23 o 140.9327 3.506034 199.7834       9.868733      199.7834       9.868733      199.7834       9.868733      140.9327 3.506034 140.9327 3.506034 0.000000       0.000000 
1 1 1 27 0  24 o 12.37688 8.268345 -1.166112      5.400528      -1.166112      5.400528      -1.166112      5.400528      12.37688 8.268345 12.37688 8.268345 0.000000       0.000000 
1 1 1 27 0  25 o 18.54255 10.42133 5.035675       5.778132      5.035675       5.778132      5.035675       5.778132      18.54255 10.42133 18.54255 10.42133 0.000000       0.000000 
1 1 1 27 0  26 f 72.01652 4.571916 53.01345       6.530509      53.01345       6.530509      53.01345       6.530509      72.01652 4.571916 72.01652 4.571916 0.000000       0.000000 
1 1 1 27 0  27 o 56.52623 5.494007 33.37516       6.103312      33.37516       6.103312      33.37516       6.103312      56.52623 5.494007 56.52623 5.494007 0.000000       0.000000 
1 1 1 27 0  28 o 40.72551 7.458772 18.54727       5.499711      18.54727       5.499711      18.54727       5.499711      40.72551 7.458772 40.72551 7.458772 0.000000       0.000000 
1 1 1 27 0  29 o 12.27079 8.213652 -1.019462      5.392026      -1.019462      5.392026      -1.019462      5.392026      12.27079 8.213652 12.27079 8.213652 0.000000       0.000000 
1 1 1 27 0  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 0  31 o 78.20179 4.696136 63.23640       7.289969      63.23640       7.289969      63.23640       7.289969      78.20179 4.696136 78.20179 4.696136 0.000000       0.000000 
1 1 1 27 0  32 o 27.14940 10.55709 11.03059       5.437367      11.03059       5.437367      11.03059       5.437367      27.14940 10.55709 27.14940 10.55709 0.000000       0.000000 
1 1 1 27 0  33 o 14.84519 9.065468 3.042800       4.990335      3.042800       4.990335      3.042800       4.990335      14.84519 9.065468 14.84519 9.065468 0.000000       0.000000 
1 1 1 27 0  34 o 34.45651 9.354186 15.73471       5.562055      15.73471       5.562055      15.73471       5.562055      34.45651 9.354186 34.45651 9.354186 0.000000       0.000000 
1 1 1 27 0  35 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 1  0  o 76.85481 3.939618 59.63039       6.021840      59.63039       6.021840      59.63039       6.021840      76.85481 3.939618 76.85481 3.939618 0.000000       0.000000 
1 1 1 27 1  1  o 148.1129 2.237294 219.9034       6.628983      216.7862       9.266549      222.9498       9.479085      147.0763 3.150254 149.1496 3.177711 -2.073288      4.474589 
1 1 1 27 1  2  o 129.1909 2.490967 167.4780       6.413614      160.0392       9.634944      174.8459       8.465999      126.3030 3.814219 132.0789 3.204902 -5.775955      4.981934 
1 1 1 27 1  3  o 72.68820 2.812695 53.16930       4.079974      47.66463       5.667614      58.66689       5.870231      68.90867 4.112411 76.46774 3.838371 -7.559074      5.625390 
1 1 1 27 1  4  o 106.2936 2.401220 113.2814       5.104395      112.8564       7.183701      113.7065       7.254546      106.0950 3.385504 106.4922 3.406141 -0.3971558     4.802440 
1 1 1 27 1  5  o 50.69841 3.634634 25.86557       3.684657      26.21272       5.133441      25.51135       5.286468      51.04882 5.027973 50.34800 5.249928 0.7008247      7.269268 
1 1 1 27 1  6  o 27.59354 5.808665 7.438744       3.657028      10.66928       4.812513      4.213163       5.508212      31.81591 7.646520 23.37116 8.746034 8.444752       11.61733 
1 1 1 27 1  7  o 128.9510 2.484817 166.9821       6.379609      179.0258       8.685618      154.9384       9.344479      133.6344 3.249769 124.2676 3.759823 9.366859       4.969634 
1 1 1 27 1  8  o 152.8432 2.453945 234.2850       7.502505      235.2768       9.861650      233.2932       11.29981      153.1974 3.218608 152.4889 3.705124 0.7085419      4.907889 
1 1 1 27 1  9  o 123.4666 2.472028 152.9547       6.116773      147.9247       7.962997      157.9848       9.287803      121.4589 3.278062 125.4742 3.701080 -4.015305      4.944055 
1 1 1 27 1  10 o 160.3065 2.454700 257.8056       7.870899      257.0263       10.32923      258.6558       11.88074      160.0896 3.226077 160.5233 3.700626 -0.4337463     4.909400 
1 1 1 27 1  11 o 116.7078 2.760175 136.9437       6.439118      128.7257       8.947746      145.1618       9.266549      113.1962 3.952318 120.2193 3.854017 -7.023155      5.520350 
1 1 1 27 1  12 o 63.67559 3.455060 41.06895       4.419322      34.92667       5.693118      47.20414       6.761464      58.89419 4.833345 68.45700 4.938475 -9.562813      6.910120 
1 1 1 27 1  13 o 112.2236 2.619095 126.5295       5.891485      121.8537       7.637110      131.1344       8.976085      110.1926 3.465345 114.2546 3.928107 -4.061943      5.238190 
1 1 1 27 1  14 o 30.93942 5.832552 10.20879       3.878774      5.323307       5.046302      15.09711       5.892194      24.12519 8.449418 37.75364 8.042511 -13.62845      11.66510 
1 1 1 27 1  15 o 23.04015 6.129311 4.111854       3.840517      3.891525       5.146194      4.332891       5.701620      22.45369 8.443614 23.62660 8.887023 -1.172911      12.25862 
1 1 1 27 1  16 o 175.1559 2.571227 308.2473       9.018591      301.8005       11.84531      314.6234       13.60227      173.3800 3.415997 176.9319 3.843930 -3.551834      5.142454 
1 1 1 27 1  17 o 172.8757 3.080504 301.3045       10.74721      286.7813       11.51234      315.7570       18.15053      168.9635 3.406753 176.7878 5.133425 -7.824249      6.161008 
1 1 1 27 1  18 o 19.01416 5.796939 -0.6571599     4.109020      0.8572266      4.945702      -2.171405      6.562388      18.86954 7.872560 19.15878 8.511216 -0.2892418     11.59388 
1 1 1 27 1  19 o 108.8140 3.226798 119.6575       7.112856      111.2978       7.594603      128.0172       12.02951      105.1943 3.609797 112.4337 5.349604 -7.239326      6.453596 
1 1 1 27 1  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 1  21 o 101.2569 2.898630 103.4340       5.867398      103.7882       7.204955      103.1506       9.259464      101.5282 3.548252 100.9855 4.584554 0.5427704      5.797260 
1 1 1 27 1  22 o 21.29287 6.038590 2.184865       4.003461      -0.1168237     5.573390      4.487334       5.748378      18.93115 8.144246 23.65459 8.917934 -4.723446      12.07718 
1 1 1 27 1  23 o 76.61465 3.253362 59.87126       4.959870      69.25824       7.197870      50.49136       6.823099      82.71038 4.351250 70.51894 4.837778 12.19144       6.506725 
1 1 1 27 1  24 o 76.16136 3.151429 58.84400       4.800469      59.32575       6.824516      58.36934       6.752962      76.46949 4.462248 75.85324 4.451334 0.6162491      6.302859 
1 1 1 27 1  25 o 69.17882 4.989568 50.39926       7.019340      59.21241       11.40607      41.57903       8.189702      75.04416 7.599575 63.31348 6.467583 11.73068       9.979136 
1 1 1 27 1  26 o 71.10193 3.332706 52.17039       4.689242      41.72073       6.460372      62.61296       6.797595      63.79459 5.063417 78.40926 4.334689 -14.61467      6.665412 
1 1 1 27 1  27 o 53.86951 3.918378 30.04544       4.220956      31.60404       6.073557      28.49393       5.863855      55.27994 5.493455 52.45908 5.588980 2.820858       7.836756 
1 1 1 27 1  28 o 32.68634 5.351826 11.86657       3.772506      18.67479       5.348103      5.058346       5.322598      42.12246 6.348279 23.25021 8.617860 18.87225       10.70365 
1 1 1 27 1  29 o 28.11538 5.139061 7.141194       3.980082      -4.327223      5.403362      18.61811       5.846144      15.23666 7.131589 40.99409 7.401368 -25.75743      10.27812 
1 1 1 27 1  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 1  31 o 26.47065 5.927816 7.275800       4.111854      0.6008379      5.782383      13.94941       5.846144      18.80182 8.193965 34.13947 8.568252 -15.33766      11.85563 
1 1 1 27 1  32 o 48.47394 4.267389 25.70263       4.136650      27.71463       6.012630      23.69063       5.682492      50.42317 5.962171 46.52472 6.106960 3.898453       8.534779 
1 1 1 27 1  33 o 20.42381 5.783451 4.009837       3.581932      3.913488       5.058346      4.105478       5.073223      20.31594 8.157782 20.53168 8.200233 -0.2157364     11.56690 
1 1 1 27 1  34 o 21.54499 5.910040 5.469956       3.648527      6.034592       5.076057      4.905321       5.242543      22.14650 8.371124 20.94348 8.344973 1.203024       11.82008 
1 1 1 27 2  0  o 192.9005 3.250503 372.8582       12.53251      372.8582       12.53251      372.8582       12.53251      192.9005 3.250503 192.9005 3.250503 0.000000       0.000000 
1 1 1 27 2  1  o 67.83611 3.006198 46.27607       4.070764      42.57087       5.719331      49.98127       5.794427      65.10688 4.392263 70.56532 4.105719 -5.458443      6.012395 
1 1 1 27 2  2  o 174.5981 2.255157 305.5552       7.877984      309.8768       11.22188      301.2337       11.05185      175.8326 3.191068 173.3636 3.187477 2.469070       4.510314 
1 1 1 27 2  3  o 52.84951 3.511802 28.25306       3.691034      32.53919       5.327558      23.95984       5.110063      56.90181 4.681360 48.79722 5.236018 8.104588       7.023604 
1 1 1 27 2  4  o 157.9967 2.244793 250.2960       7.098687      239.2442       9.804973      261.4187       10.25838      154.4963 3.173207 161.4971 3.176027 -7.000824      4.489587 
1 1 1 27 2  5  o 104.3102 2.410519 109.1016       5.028590      109.5975       7.016507      108.6057       7.204955      104.5517 3.355520 104.0688 3.461631 0.4829102      4.821037 
1 1 1 27 2  6  o 142.5200 2.412264 203.6799       6.871274      205.8761       9.103605      201.4837       10.29380      143.3143 3.176099 141.7258 3.631592 1.588501       4.824528 
1 1 1 27 2  7  o 269.3043 2.793572 728.2885       15.05460      721.9124       19.60286      733.9561       22.85465      268.2619 3.653679 270.3467 4.226915 -2.084839      5.587145 
1 1 1 27 2  8  o 69.29028 3.176747 48.24557       4.402319      48.22431       5.907071      48.26682       6.529091      69.29181 4.262460 69.28876 4.711509 0.3051758E-02  6.353493 
1 1 1 27 2  9  o 62.46975 3.409334 39.43243       4.210329      44.64663       5.731375      34.21114       6.169198      66.65942 4.298999 58.28008 5.292716 8.379337       6.818668 
1 1 1 27 2  10 o 27.46193 5.940129 7.707955       3.620897      5.607396       4.847227      9.812057       5.380691      24.36795 8.300205 30.55590 8.499830 -6.187952      11.88026 
1 1 1 27 2  11 o 93.88863 2.762059 88.55647       5.181617      90.04422       6.901029      87.06872       7.729208      94.70491 3.643438 93.07235 4.152258 1.632561       5.524119 
1 1 1 27 2  12 o 109.3657 2.618613 120.1534       5.738459      116.8945       7.467082      123.3415       8.713958      107.9262 3.459345 110.8052 3.932108 -2.878944      5.237226 
1 1 1 27 2  13 o 132.7660 2.500640 177.0421       6.616231      186.3937       8.883986      167.6905       9.804973      136.3118 3.258700 129.2202 3.793901 7.091629       5.001281 
1 1 1 27 2  14 o 20.23002 5.361641 -1.073305      3.783132      7.360813       5.076765      -9.507423      5.609521      26.90800 8.468774 13.55205 6.577893 13.35594       10.72328 
1 1 1 27 2  15 o 65.51956 4.119737 43.51311       5.353062      47.22540       7.048388      39.80790       8.055097      68.40102 5.152253 62.63811 6.429869 5.762909       8.239474 
1 1 1 27 2  16 o 112.6791 3.345823 127.9464       7.545012      126.9546       10.00334      128.9382       11.29272      112.2914 4.454189 113.0668 4.993829 -0.7753906     6.691646 
1 1 1 27 2  17 o 178.7392 2.900637 321.7788       10.26547      336.6563       11.47692      306.8304       17.02410      183.1285 3.133570 174.3500 4.882162 8.778503       5.801273 
1 1 1 27 2  18 o 63.08668 4.352917 40.42426       5.545053      38.29182       5.808597      42.55670       9.450747      61.61252 4.713812 64.56083 7.319257 -2.948307      8.705834 
1 1 1 27 2  19 o 23.66819 6.820154 2.955661       5.149736      1.261753       5.602437      4.649569       8.643111      20.27371 8.413594 27.06266 10.73636 -6.788952      13.64031 
1 1 1 27 2  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 2  21 o 107.2020 3.230179 116.4695       6.772799      127.7339       7.580434      105.2051       11.22188      112.6731 3.363907 101.7310 5.515464 10.94204       6.460358 
1 1 1 27 2  22 o 103.7353 3.166023 108.8890       6.505004      113.3523       7.197870      104.4258       10.83931      106.1152 3.391538 101.3555 5.347174 4.759621       6.332045 
1 1 1 27 2  23 o 51.24036 4.842704 28.73480       4.636817      16.37232       5.950287      41.09729       7.112856      39.02929 7.898831 63.45143 5.604961 -24.42214      9.685408 
1 1 1 27 2  24 o 40.57596 5.223330 17.60503       4.082807      17.83882       5.897861      17.36415       5.647778      40.81910 7.505212 40.33281 7.266670 0.4862862      10.44666 
1 1 1 27 2  25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 2  26 o 65.84082 4.043699 45.42593       5.112188      57.15081       6.877649      33.70105       7.566265      74.83628 4.595131 56.84535 6.655131 17.99093       8.087398 
1 1 1 27 2  27 o 76.57010 3.179808 60.02004       4.864938      62.91052       6.876233      57.12955       6.884026      78.45857 4.382079 74.68162 4.608916 3.776955       6.359617 
1 1 1 27 2  28 o 32.59393 5.847314 12.07910       3.880191      15.09002       5.625107      9.075267       5.346686      36.74383 7.881962 28.44404 8.639388 8.299793       11.69463 
1 1 1 27 2  29 o 23.29884 6.055931 4.730333       3.925531      8.331393       5.619440      1.126438       5.483417      27.33636 8.936931 19.26133 8.174867 8.075022       12.11186 
1 1 1 27 2  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 2  31 o 19.56819 5.924892 1.447367       4.143026      2.229498       5.863855      0.6647403      5.855353      20.21361 8.509944 18.92278 8.246105 1.290825       11.84978 
1 1 1 27 2  32 o 32.18965 5.921829 12.67420       3.867438      14.31073       5.665489      11.03768       5.265214      34.33737 8.324275 30.04193 8.424885 4.295443       11.84366 
1 1 1 27 2  33 o 52.18562 3.951405 29.99585       4.121772      29.06778       5.839059      30.91683       5.819932      51.29116 5.692072 53.08007 5.482218 -1.788914      7.902810 
1 1 1 27 2  34 o 20.14081 5.792301 4.160738       3.666946      4.978999       5.234750      3.341767       5.135567      20.99379 8.347016 19.28783 8.033076 1.705959       11.58460 
1 1 1 27 3  0  o 9.027910 6.429426 -5.382108      4.620522      -5.382108      4.620522      -5.382108      4.620522      9.027910 6.429426 9.027910 6.429426 0.000000       0.000000 
1 1 1 27 3  1  f 227.2380 2.406119 517.8074       10.93850      504.5594       15.19629      531.0554       15.73471      224.3333 3.386989 230.1427 3.418469 -5.809341      4.812237 
1 1 1 27 3  2  o 170.0444 2.255150 289.8276       7.672533      286.9230       10.77555      292.7323       10.91724      169.1929 3.184399 170.8959 3.194121 -1.703033      4.510300 
1 1 1 27 3  3  o 47.51863 3.928262 23.18054       3.631524      29.54952       5.175949      16.81156       5.094476      54.21766 4.773305 40.81960 6.240234 13.39807       7.856524 
1 1 1 27 3  4  o 63.79705 3.089506 40.88475       3.941826      40.11962       5.555679      41.64988       5.593227      63.19835 4.395431 64.39576 4.342854 -1.197411      6.179011 
1 1 1 27 3  5  o 94.73491 2.509408 90.18591       4.746627      82.25125       6.619065      98.12057       6.804679      90.55093 3.654885 98.91888 3.439525 -8.367943      5.018816 
1 1 1 27 3  6  o 82.75842 2.681665 68.96069       4.421447      77.22124       6.334976      60.71431       6.169907      87.74123 3.610034 77.77560 3.966480 9.965630       5.363329 
1 1 1 27 3  7  o 64.98771 3.345792 42.47168       4.354853      41.21772       5.764672      43.71856       6.529800      64.04716 4.500334 65.92826 4.952201 -1.881104      6.691584 
1 1 1 27 3  8  o 66.60861 3.275748 44.63246       4.349185      46.86409       5.859605      42.39376       6.429200      68.30264 4.289443 64.91458 4.952046 3.388054       6.551495 
1 1 1 27 3  9  o 112.4625 2.553138 126.9546       5.727833      131.4178       7.615856      122.4913       8.558097      114.4694 3.326592 110.4557 3.873996 4.013672       5.106277 
1 1 1 27 3  10 o 87.67902 2.791767 77.22124       4.894693      77.15040       6.407947      77.29209       7.403321      87.66684 3.654715 87.69118 4.221246 -0.2434540E-01 5.583535 
1 1 1 27 3  11 o 90.12625 2.811907 81.61364       5.065430      82.53463       6.685660      80.69266       7.608772      90.66455 3.687031 89.58796 4.246537 1.076591       5.623813 
1 1 1 27 3  12 o 54.61089 3.920454 30.53427       4.150110      37.93050       5.672574      23.14512       6.060097      61.39476 4.619754 47.82701 6.335433 13.56774       7.840908 
1 1 1 27 3  13 o 88.08835 3.360324 78.28393       5.807888      85.58098       6.713289      70.98687       9.479085      92.32610 3.635640 83.85059 5.652366 8.475510       6.720648 
1 1 1 27 3  14 o 24.19213 6.215483 3.811471       4.318722      6.892527       4.616981      0.7304138      7.297054      25.97364 8.056617 22.41062 9.466775 3.563013       12.43097 
1 1 1 27 3  15 o 26.42015 6.300304 4.941452       4.567389      10.25838       5.384233      -0.3726456     7.382068      31.12451 8.438249 21.71580 9.357953 9.408709       12.60061 
1 1 1 27 3  16 o 60.83527 4.657882 37.76048       5.665489      32.47543       7.594603      43.04553       8.409323      56.53882 6.716273 65.13172 6.455628 -8.592899      9.315763 
1 1 1 27 3  17 o 87.15321 3.570412 76.79617       6.145111      80.62181       6.556013      72.89968       10.39299      89.55273 3.660421 84.75370 6.131289 4.799034       7.140825 
1 1 1 27 3  18 f 215.5997 3.972246 470.6245       17.10203      468.7826       13.87857      472.4665       31.26398      216.0732 3.211544 215.1262 7.266427 0.9469910      7.944493 
1 1 1 27 3  19 o 104.2720 3.400796 110.0934       7.176617      102.7963       7.608772      117.3196       12.17829      101.0480 3.764929 107.4959 5.664535 -6.447899      6.801591 
1 1 1 27 3  20 o 29.31902 8.241752 6.480917       7.403321      2.335057       7.686701      10.62678       12.65295      23.93885 9.889949 34.69920 13.18692 -10.76035      16.48350 
1 1 1 27 3  21 o 29.32130 6.230749 6.831601       4.872732      13.67312       5.294260      -0.7488335E-02 8.182618      35.76649 7.626700 22.87611 9.855069 12.89038       12.46150 
1 1 1 27 3  22 o 51.88969 5.462098 28.96151       5.013005      38.36975       5.796553      19.54619       8.182618      61.54274 4.709372 42.23664 9.856970 19.30610       10.92420 
1 1 1 27 3  23 f 114.7131 3.038361 133.2598       6.905280      138.5732       7.686701      127.9464       11.47692      117.2949 3.276657 112.1313 5.117624 5.163567       6.076723 
1 1 1 27 3  24 o 44.27078 5.907675 21.33148       5.106521      18.07969       6.107563      24.58328       8.182618      41.01847 7.728070 47.52310 8.937530 -6.504635      11.81535 
1 1 1 27 3  25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 3  26 f 17.74311 5.597512 -1.999959      4.104770      -0.2830973     5.473498      -3.716538      6.118190      18.39596 7.994137 17.09026 7.837242 1.305704       11.19502 
1 1 1 27 3  27 o 22.16416 6.169274 3.241875       4.133816      5.351645       5.491210      1.132814       6.180533      23.86713 8.767852 20.46119 8.681276 3.405937       12.33855 
1 1 1 27 3  28 o 15.25761 5.060792 -4.875566      3.917030      -6.597104      5.238293      -3.154736      5.824891      13.80855 6.621314 16.70667 7.655369 -2.898118      10.12158 
1 1 1 27 3  29 f 28.56047 5.847151 8.395153       4.093434      14.72163       5.477749      2.065137       6.084183      36.22180 7.785077 20.89914 8.726356 15.32266       11.69430 
1 1 1 27 3  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 3  31 o 41.58620 14.66826 28.30265       15.23171      28.30265       15.23171      ?              ?             41.58620 14.66826 ?        ?        ?              ?        
1 1 1 27 3  32 o 19.95940 5.647035 0.5331808      4.067930      7.495420       5.457912      -6.428492      6.034592      25.13518 8.788776 14.78362 7.093195 10.35156       11.29407 
1 1 1 27 3  33 o 47.31094 4.775929 25.85140       4.541884      22.88299       5.844728      28.81273       6.952746      44.79538 6.523807 49.82649 6.976957 -5.031116      9.551858 
1 1 1 27 3  34 o 24.88555 5.951940 7.764632       4.142318      -0.2621272     5.151153      15.79847       6.489419      16.29963 7.377229 33.47147 9.342315 -17.17184      11.90388 
1 1 1 27 4  0  o 14.49654 8.852867 2.016254       4.759379      2.016254       4.759379      2.016254       4.759379      14.49654 8.852867 14.49654 8.852867 0.000000       0.000000 
1 1 1 27 4  1  o 135.5452 2.272957 184.1266       6.164238      183.8432       8.657280      184.4809       8.770633      135.4296 3.196228 135.6607 3.232563 -0.2310181     4.545915 
1 1 1 27 4  2  o 204.2425 2.327644 418.1991       9.507423      420.6078       13.47475      415.7903       13.41808      204.8311 3.289236 203.6539 3.294334 1.177216       4.655288 
1 1 1 27 4  3  o 130.5932 2.511935 171.2328       6.526258      181.4345       8.607689      160.9602       9.812057      134.5374 3.198994 126.6490 3.873720 7.888397       5.023870 
1 1 1 27 4  4  o 109.9225 2.356119 121.1453       5.182325      121.9954       7.389152      120.2951       7.261631      110.3067 3.349366 109.5383 3.314654 0.7684174      4.712238 
1 1 1 27 4  5  o 143.1504 2.263334 205.3802       6.481626      206.6554       9.153197      204.1758       9.174451      143.5838 3.187406 142.7169 3.214213 0.8668823      4.526668 
1 1 1 27 4  6  o 86.29543 2.615752 74.88335       4.511421      68.11056       6.206038      81.61364       6.550345      82.39108 3.766207 90.19978 3.631020 -7.808708      5.231503 
1 1 1 27 4  7  o 41.94634 4.242309 17.75380       3.557136      17.34290       5.081016      18.15762       4.980416      41.45712 6.128038 42.43556 5.868211 -0.9784355     8.484618 
1 1 1 27 4  8  o 90.58508 2.758788 82.53463       5.021506      76.15857       6.430617      88.83985       7.715039      87.11730 3.690780 94.05286 4.101438 -6.935562      5.517577 
1 1 1 27 4  9  o 95.32928 2.712130 91.24860       5.173823      90.54014       6.837976      91.95705       7.764632      94.98227 3.599607 95.67628 4.057762 -0.6940155     5.424261 
1 1 1 27 4  10 o 26.16558 6.073734 6.740918       3.719372      4.906028       4.866355      8.572267       5.627233      23.43299 8.288378 28.89817 8.880528 -5.465181      12.14747 
1 1 1 27 4  11 o 140.6807 2.770463 198.8624       7.835476      193.2656       8.409323      204.4592       13.22680      138.8299 3.028643 142.5315 4.639956 -3.701599      5.540927 
1 1 1 27 4  12 f 130.0143 2.831405 169.9576       7.424574      162.4480       7.807138      177.3963       12.63878      127.2794 3.066929 132.7492 4.760396 -5.469810      5.662811 
1 1 1 27 4  13 o 35.27490 6.082097 13.35432       4.396652      10.83223       4.552511      15.86932       7.523758      32.02501 7.272002 38.52479 9.751184 -6.499775      12.16419 
1 1 1 27 4  14 f 86.96031 3.242532 76.22942       5.647069      75.52096       5.936118      76.86702       9.606606      86.72058 3.422554 87.20004 5.508373 -0.4794540     6.485064 
1 1 1 27 4  15 o 130.6077 2.869183 171.6579       7.573349      162.8731       7.962997      180.4427       12.87965      127.4109 3.124928 133.8044 4.812866 -6.393486      5.738367 
1 1 1 27 4  16 o 37.59827 6.278837 14.98375       4.736708      16.46442       5.544343      13.49601       7.679617      39.59443 7.273292 35.60212 10.23691 3.992306       12.55767 
1 1 1 27 4  17 o 47.06472 5.591789 23.16637       5.231208      19.82248       5.868106      26.51026       8.664365      44.13971 6.647195 49.98972 8.993731 -5.850006      11.18358 
1 1 1 27 4  18 f 89.13105 3.819617 79.91336       6.808930      79.91336       6.808930      ?              ?             89.13105 3.819617 ?        ?        ?              ?        
1 1 1 27 4  19 o 95.71015 11.81368 98.12057       22.61378      98.12057       22.61378      ?              ?             95.71015 11.81368 ?        ?        ?              ?        
1 1 1 27 4  20 o 37.58751 6.830187 15.38757       5.323307      14.33906       5.687451      16.42900       8.997337      36.53200 8.003318 38.64303 11.07035 -2.111031      13.66037 
1 1 1 27 4  21 o 67.72441 4.216949 46.79324       5.745543      44.17905       6.966206      49.41451       9.139028      65.96786 5.280001 69.48097 6.576642 -3.513115      8.433897 
1 1 1 27 4  22 o 85.14298 3.430189 73.53729       5.786633      76.58364       6.540427      70.51221       9.549930      87.14108 3.752781 83.14489 5.742945 3.996185       6.860378 
1 1 1 27 4  23 o 78.88797 3.527122 63.55521       5.681783      55.70557       6.051595      71.41194       9.620775      74.21442 4.077103 83.56153 5.756701 -9.347115      7.054245 
1 1 1 27 4  24 o 68.56232 3.952518 48.13930       5.376441      49.42868       5.904237      46.84283       8.990252      69.82735 4.227739 67.29727 6.679508 2.530083       7.905037 
1 1 1 27 4  25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 4  26 o 73.32755 3.624546 55.30175       5.411863      49.49244       5.744127      61.11105       9.174451      69.78538 4.115566 76.86971 5.967534 -7.084328      7.249093 
1 1 1 27 4  27 o 68.60095 3.610567 48.50061       4.930825      50.93060       6.541844      46.07771       7.382068      70.49283 4.640078 66.70907 5.533032 3.783760       7.221133 
1 1 1 27 4  28 o 26.50849 5.403266 5.420364       4.062263      15.17504       5.501836      -4.335016      5.977916      36.79292 7.722904 16.22405 7.558961 20.56887       10.80653 
1 1 1 27 4  29 o 25.68331 6.622450 6.712580       4.427115      6.250670       5.977916      7.176617       6.531926      24.99850 9.151604 26.36812 9.574735 -1.369616      13.24490 
1 1 1 27 4  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 4  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 4  32 f 62.80125 3.986729 43.23681       4.862104      52.78675       6.687077      33.67979       7.060431      70.54537 4.739557 55.05714 6.411912 15.48824       7.973457 
1 1 1 27 4  33 f 51.16051 4.990472 30.93100       4.658779      38.83733       6.087018      23.02468       7.053346      59.73567 5.094961 42.58535 8.582576 17.15032       9.980944 
1 1 1 27 4  34 o 28.35069 6.442170 11.51943       4.192617      8.756464       5.311971      14.27530       6.488710      25.31911 8.687881 31.38226 9.514565 -6.063143      12.88434 
1 1 1 27 5  0  o 64.05250 4.593845 41.75615       5.824182      41.75615       5.824182      41.75615       5.824182      64.05250 4.593845 64.05250 4.593845 0.000000       0.000000 
1 1 1 27 5  1  o 86.43710 2.620351 74.95419       4.529841      74.45828       6.402987      75.45012       6.409364      86.15037 3.716170 86.72382 3.695273 -0.5734558     5.240702 
1 1 1 27 5  2  o 69.13481 2.925865 47.99052       4.043843      48.72731       5.594644      47.25373       5.840477      69.67362 4.014894 68.59600 4.257156 1.077621       5.851730 
1 1 1 27 5  3  o 37.21226 4.856440 14.28947       3.528090      15.86224       4.964830      12.71671       5.013005      39.64547 6.261535 34.77905 7.425174 4.866421       9.712880 
1 1 1 27 5  4  o 95.96350 2.525858 92.45296       4.844393      98.12057       6.926533      86.78535       6.774216      98.91331 3.501315 93.01369 3.641516 5.899620       5.051717 
1 1 1 27 5  5  o 69.88072 2.959252 49.03904       4.135942      48.93277       5.905654      49.13822       5.791594      69.80440 4.230145 69.95705 4.139392 -0.1526489     5.918504 
1 1 1 27 5  6  o 62.65112 3.226253 39.65913       4.024714      45.44718       5.829850      33.87108       5.549303      67.26273 4.333641 58.03951 4.780625 9.223221       6.452505 
1 1 1 27 5  7  o 131.0565 2.303006 172.2246       6.038843      177.7505       8.671450      166.7695       8.402238      133.1457 3.256377 128.9673 3.257507 4.178391       4.606012 
1 1 1 27 5  8  o 151.9327 2.404080 231.5929       7.311223      230.2468       8.827310      232.8681       11.65403      151.5656 2.912043 152.2997 3.826018 -0.7341461     4.808161 
1 1 1 27 5  9  f 141.5636 2.443811 201.1295       6.918032      201.4128       8.366816      200.7752       11.01642      141.7417 2.951430 141.3855 3.895883 0.3562469      4.887622 
1 1 1 27 5  10 o 16.00266 5.210461 -5.459329      4.129566      -1.249709      4.455453      -9.670367      6.954163      16.09526 7.098854 15.91006 7.629017 0.1852074      10.42092 
1 1 1 27 5  11 f 72.34708 3.734204 53.04178       5.207829      60.80642       5.769631      45.27715       8.671450      77.82043 3.707016 66.87373 6.483451 10.94670       7.468407 
1 1 1 27 5  12 f 38.71656 5.750594 15.65678       4.503628      23.77564       5.070390      7.537927       7.445828      48.56406 5.220310 28.86905 10.24820 19.69502       11.50119 
1 1 1 27 5  13 o 112.8104 2.919416 128.2298       6.689910      118.3115       6.945662      138.0773       11.43441      108.5841 3.198287 117.0367 4.884969 -8.452583      5.838832 
1 1 1 27 5  14 o 53.26991 4.462515 28.87649       4.859271      25.66012       4.976165      32.09286       8.345562      50.43816 4.932938 56.10165 7.437895 -5.663486      8.925030 
1 1 1 27 5  15 o 78.03950 3.990221 61.57863       6.239335      59.53121       8.189702      63.62605       9.415324      76.78642 5.332781 79.29258 5.937078 -2.506165      7.980441 
1 1 1 27 5  16 o 42.73992 6.040761 19.83665       5.100144      30.90266       6.621190      8.777717       7.757547      55.20689 5.996707 30.27296 10.48822 24.93393       12.08152 
1 1 1 27 5  17 o 169.7673 3.154845 289.3317       10.71179      289.3317       10.71179      ?              ?             169.7673 3.154845 ?        ?        ?              ?        
1 1 1 27 5  18 o 28.81028 5.839941 4.202536       5.034966      15.45133       5.483417      -7.046970      8.444746      38.24962 7.433191 19.37093 9.009291 18.87869       11.67988 
1 1 1 27 5  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 5  20 o 75.09701 3.998169 57.41294       6.031758      55.76933       6.294595      59.05655       10.29380      74.30946 4.235392 75.88455 6.782542 -1.575089      7.996338 
1 1 1 27 5  21 o 32.67574 6.511212 11.25730       4.617689      12.21371       5.157529      10.30089       7.658363      33.74548 7.793319 31.60599 10.43301 2.139490       13.02242 
1 1 1 27 5  22 o 87.77724 3.336523 78.21307       5.922657      73.32476       6.334976      83.10139       10.01042      85.26129 3.715036 90.29319 5.543289 -5.031898      6.673046 
1 1 1 27 5  23 f 126.7316 2.910028 162.5188       7.374983      162.2355       7.998421      162.8022       12.38374      126.9296 3.150730 126.5336 4.893459 0.3960571      5.820055 
1 1 1 27 5  24 o 92.30591 3.345796 87.49380       5.888652      104.4258       6.836560      70.54054       9.592437      101.7293 3.360173 82.88255 5.786765 18.84672       6.691593 
1 1 1 27 5  25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 5  26 o 24.54982 6.082187 4.626190       4.169239      8.791886       4.966247      0.4626898      6.699120      28.33752 8.259579 20.76211 8.930362 7.575407       12.16437 
1 1 1 27 5  27 o 27.71615 6.401396 8.111773       4.271256      8.558097       4.657362      7.665448       7.162447      27.83200 7.962070 27.60030 10.02581 0.2316990      12.80279 
1 1 1 27 5  28 o 50.12818 5.485215 28.45142       4.936492      38.39808       6.325766      18.49767       7.580434      60.70487 5.210263 39.55150 9.654196 21.15337       10.97043 
1 1 1 27 5  29 o 77.20789 3.631449 62.10997       5.595352      63.78191       7.445828      60.44511       8.352647      78.47263 4.744220 75.94314 5.499277 2.529488       7.262897 
1 1 1 27 5  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 5  31 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 5  32 o 46.71978 5.102699 26.36149       4.493710      15.10419       5.740584      37.61879       6.915907      34.97908 8.316405 58.46049 5.915026 -23.48141      10.20540 
1 1 1 27 5  33 o 28.99649 6.381635 11.26438       4.198285      12.80172       5.526632      9.727042       6.321515      31.26375 8.581794 26.72923 9.447428 4.534525       12.76327 
1 1 1 27 5  34 o 18.85635 5.725224 2.067262       4.072181      5.051970       5.440201      -0.9167365     6.060805      20.90377 8.432578 16.80893 7.746251 4.094833       11.45045 
1 1 1 27 6  0  o 180.9485 3.269629 328.1548       11.82406      328.1548       11.82406      328.1548       11.82406      180.9485 3.269629 180.9485 3.269629 0.000000       0.000000 
1 1 1 27 6  1  o 90.85303 2.591559 82.88886       4.708370      78.77983       6.547511      86.92703       6.768548      88.61594 3.694319 93.09013 3.635481 -4.474197      5.183119 
1 1 1 27 6  2  o 134.9947 2.279069 182.7806       6.152903      189.5817       8.770633      175.9086       8.628942      137.5242 3.188761 132.4652 3.257060 5.058945       4.558139 
1 1 1 27 6  3  o 182.6811 2.288825 334.7435       8.366816      320.1494       11.50526      349.2667       12.14995      178.7087 3.218997 186.6535 3.254679 -7.944809      4.577650 
1 1 1 27 6  4  o 216.8641 2.415232 471.6164       10.47800      476.2213       14.77830      467.0114       14.84915      217.9272 3.390651 215.8009 3.440474 2.126297       4.830463 
1 1 1 27 6  5  o 95.72321 2.684444 91.95705       5.124940      93.72817       6.276883      90.18591       8.104689      96.68993 3.245882 94.75647 4.276588 1.933464       5.368888 
1 1 1 27 6  6  o 29.23046 5.873783 9.054014       3.806511      4.436325       4.575890      13.66603       6.084183      22.53309 8.030434 35.92782 8.574232 -13.39472      11.74757 
1 1 1 27 6  7  o 144.9736 2.423131 210.8353       7.022882      211.2603       8.522675      210.4102       11.16520      145.1803 2.935203 144.7668 3.856271 0.4135284      4.846261 
1 1 1 27 6  8  o 187.7312 2.749649 354.0133       10.27963      360.5311       11.26438      347.4247       17.20121      189.6375 2.969978 185.8250 4.628337 3.812561       5.499297 
1 1 1 27 6  9  o 160.8949 2.414082 259.7893       7.785885      255.3969       9.443663      264.1817       12.37665      159.6038 2.958470 162.1859 3.815575 -2.582123      4.828163 
1 1 1 27 6  10 o 32.35946 5.544523 11.54068       3.867438      4.356979       4.604228      18.73146       6.215247      22.43078 8.049121 42.28814 7.627489 -19.85736      11.08905 
1 1 1 27 6  11 o 159.5078 2.452254 255.3260       7.821308      255.7511       9.535762      254.9009       12.39791      159.7133 2.985275 159.3023 3.891315 0.4109955      4.904508 
1 1 1 27 6  12 o 89.70776 2.906248 81.40111       5.316930      68.67023       6.030342      94.15324       8.756464      82.69455 3.646154 96.72097 4.526663 -14.02642      5.812497 
1 1 1 27 6  13 o 19.41297 5.929166 -0.4540467     4.308095      0.5431700      4.629732      -1.450909      7.268716      18.02967 7.574672 20.79627 9.123836 -2.766594      11.85833 
1 1 1 27 6  14 o 42.88729 5.690769 18.59686       4.881233      18.59686       4.881233      ?              ?             42.88729 5.690769 ?        ?        ?              ?        
1 1 1 27 6  15 o 34.79096 6.850164 12.94341       5.218455      6.686368       6.719665      19.19904       7.984251      27.26455 9.729915 42.31737 9.645089 -15.05282      13.70033 
1 1 1 27 6  16 o 38.97338 6.387413 16.20229       4.943576      16.83990       5.921240      15.55760       7.920490      39.94331 7.686320 38.00346 10.20376 1.939842       12.77483 
1 1 1 27 6  17 o 38.96536 6.352612 16.53526       5.027883      12.41916       5.208537      20.64428       8.600604      34.17729 7.790441 43.75343 10.03652 -9.576138      12.70522 
1 1 1 27 6  18 o 122.2558 3.200463 150.9711       7.750463      156.9929       8.501422      144.8784       12.96467      124.9610 3.401630 119.5507 5.422246 5.410263       6.400926 
1 1 1 27 6  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 6  20 f 20.19391 6.216571 -1.426822      4.934367      -7.842561      5.220581      4.990335       8.373900      13.45637 6.490563 26.93145 10.60451 -13.47507      12.43314 
1 1 1 27 6  21 o 70.12126 3.963771 50.34258       5.679658      42.97469       6.235084      57.71048       9.493254      65.12916 4.786707 75.11336 6.319285 -9.984200      7.927543 
1 1 1 27 6  22 o 39.27629 5.837279 17.27914       4.764338      9.110690       5.170281      25.45467       8.005506      29.14757 8.405610 49.40501 8.101916 -20.25744      11.67456 
1 1 1 27 6  23 o 19.59403 5.974090 -0.2357727E-01 4.348477      0.7488335      4.770715      -0.7955914     7.268716      18.27760 7.684465 20.91046 9.149208 -2.632856      11.94818 
1 1 1 27 6  24 o 31.37449 6.253447 9.776634       4.674365      14.39574       5.015839      5.157529       7.885069      36.60015 7.105792 26.14882 10.29224 10.45134       12.50689 
1 1 1 27 6  25 o 33.35027 6.432394 12.09327       4.676490      14.16904       5.149736      10.01042       7.807138      36.08264 7.390726 30.61790 10.52995 5.464737       12.86479 
1 1 1 27 6  26 o 81.07863 3.460470 67.48711       5.641402      64.83751       6.353395      70.12965       9.323226      79.83722 3.978968 82.32003 5.662793 -2.482811      6.920940 
1 1 1 27 6  27 o 39.10554 5.729913 16.79739       4.393109      19.37616       5.092351      14.22571       7.162447      43.11234 5.905910 35.09874 9.820786 8.013603       11.45983 
1 1 1 27 6  28 o 47.43162 5.302927 24.85957       4.641068      29.42200       5.349519      20.30423       7.587519      53.20155 5.027596 41.66168 9.338492 11.53988       10.60585 
1 1 1 27 6  29 o 30.77611 8.040845 11.78155       7.021466      7.325392       10.90307      16.23063       8.855647      27.13263 11.52198 34.41960 11.21894 -7.286976      16.08169 
1 1 1 27 6  30 o 25.61024 6.643528 7.594603       4.637525      3.523839       6.130233      11.66820       6.959831      21.26000 8.810589 29.96047 9.945824 -8.700474      13.28706 
1 1 1 27 6  31 o 36.54372 5.635849 15.06877       5.231208      29.46451       6.244294      0.6673616      8.395153      51.83488 6.023255 21.25255 9.527411 30.58233       11.27170 
1 1 1 27 6  32 o 21.04546 6.098210 3.977248       4.101227      3.717247       5.525216      4.237250       6.061513      20.59693 8.427624 21.49399 8.816338 -0.8970547     12.19642 
1 1 1 27 6  33 o 39.85478 5.636078 20.02085       4.342101      18.37016       5.921948      21.67154       6.351271      38.10489 8.022789 41.60466 7.918102 -3.499771      11.27216 
1 1 1 27 6  34 o 24.73450 6.486875 8.862731       4.281174      8.621859       5.714372      9.110690       6.376774      24.58102 8.952592 24.88798 9.389849 -0.3069611     12.97375 
1 1 1 27 7  0  o 14.40048 8.711229 2.152985       4.512129      2.152985       4.512129      2.152985       4.512129      14.40048 8.711229 14.40048 8.711229 0.000000       0.000000 
1 1 1 27 7  1  o 54.44258 3.618507 29.83290       3.952453      29.14571       4.649569      30.51302       6.392360      53.86736 4.315758 55.01780 5.809356 -1.150448      7.237015 
1 1 1 27 7  2  o 96.63179 2.654328 93.72817       5.127066      94.22409       6.267673      93.16142       8.111773      96.94781 3.232498 96.31577 4.211031 0.6320496      5.308656 
1 1 1 27 7  3  o 50.66202 3.879256 25.87974       3.955286      24.39199       4.796926      27.36041       6.290343      49.24677 4.870296 52.07728 6.039432 -2.830513      7.758513 
1 1 1 27 7  4  o 150.2892 2.387737 226.5629       7.204955      219.6909       8.699788      233.4349       11.48400      148.0610 2.937907 152.5173 3.764819 -4.456345      4.775474 
1 1 1 27 7  5  o 80.90339 2.842954 66.01354       4.664447      57.23582       5.490501      74.81251       7.545012      75.52549 3.634866 86.28129 4.372334 -10.75580      5.685908 
1 1 1 27 7  6  o 131.3794 2.425322 173.2165       6.333559      181.4345       7.906322      165.0693       9.897071      134.5395 2.938291 128.2193 3.859430 6.320114       4.850645 
1 1 1 27 7  7  o 77.44720 2.990745 60.31758       4.600686      63.04512       5.616605      57.59005       7.289969      79.25818 3.543234 75.63624 4.819098 3.621941       5.981489 
1 1 1 27 7  8  o 57.09829 3.623616 32.99260       4.194035      28.86232       4.948535      37.11579       6.772090      53.55410 4.620128 60.64248 5.583620 -7.088383      7.247233 
1 1 1 27 7  9  o 83.50462 2.896941 70.08005       4.839434      69.79667       5.722874      70.36343       7.807138      83.39797 3.431063 83.61128 4.668712 -0.2133102     5.793881 
1 1 1 27 7  10 o 19.48039 5.727039 1.105893       3.712996      -0.1149817     4.405862      2.327264       5.977208      17.00846 7.276480 21.95232 8.845833 -4.943859      11.45408 
1 1 1 27 7  11 o 129.0629 2.541996 167.3363       6.604187      158.9766       7.771716      175.6960       10.68345      125.9035 3.086378 132.2224 4.039957 -6.318848      5.083992 
1 1 1 27 7  12 o 66.16156 3.810171 44.27115       5.105812      41.24606       5.397694      47.29624       8.671450      64.02624 4.215221 68.29688 6.348350 -4.270645      7.620343 
1 1 1 27 7  13 o 54.98110 3.980032 30.66888       4.434908      27.20455       5.198619      34.13321       7.183701      51.92914 5.005494 58.03307 6.189317 -6.103928      7.960063 
1 1 1 27 7  14 o 128.0511 2.608202 164.7150       6.698411      161.3145       7.977167      168.1864       10.76138      126.7962 3.145666 129.3060 4.161208 -2.509834      5.216404 
1 1 1 27 7  15 o 81.69403 3.651491 67.43044       5.968707      67.05496       6.240043      67.79884       10.17337      81.65717 3.820879 81.73088 6.223699 -0.7370758E-01 7.302982 
1 1 1 27 7  16 o 28.18902 6.764190 7.955913       4.674365      5.642110       4.936492      10.26547       7.941744      24.40399 8.375072 31.97405 10.62428 -7.570065      13.52838 
1 1 1 27 7  17 o 85.97937 4.363920 75.30843       7.700871      67.93344       6.543260      82.67632       13.94941      82.15133 3.982444 89.80742 7.766294 -7.656090      8.727839 
1 1 1 27 7  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 7  19 o 47.76765 7.407838 24.85249       7.389152      21.28189       5.945328      28.42308       13.53143      45.58595 6.521008 49.94934 13.30341 -4.363388      14.81568 
1 1 1 27 7  20 o 97.71121 3.341909 96.63282       6.567348      93.58647       7.072474      99.75002       11.06602      96.38695 3.668792 99.03548 5.586895 -2.648537      6.683819 
1 1 1 27 7  21 o 37.63169 6.127285 14.91291       4.822432      20.80014       5.697370      9.018591       7.778800      45.06776 6.320893 30.19562 10.49861 14.87214       12.25457 
1 1 1 27 7  22 o 83.96663 3.364600 71.55363       5.647778      71.27025       6.350562      71.90786       9.344479      84.01464 3.779438 83.91861 5.567585 0.9603119E-01  6.729201 
1 1 1 27 7  23 o 63.52491 4.124630 41.38775       5.209954      42.10329       5.759713      40.67222       8.685618      64.40233 4.471665 62.64749 6.932137 1.754841       8.249261 
1 1 1 27 7  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 7  25 o 63.19316 4.394849 41.79865       5.239001      50.69681       6.014756      32.89342       8.579351      70.59088 4.260292 55.79544 7.688220 14.79544       8.789699 
1 1 1 27 7  26 o 18.84848 5.856640 -0.7474166     4.349894      -4.612021      4.951370      3.117897       7.155363      14.38314 6.748981 23.31382 9.573515 -8.930682      11.71328 
1 1 1 27 7  27 f 52.73814 4.883584 30.05252       4.725374      35.72014       5.472790      24.38491       7.700871      58.91371 4.644751 46.56258 8.592081 12.35113       9.767168 
1 1 1 27 7  28 o 37.16564 6.357951 16.28022       4.821723      12.30581       5.151153      20.25464       8.154280      32.98484 7.900588 41.34644 9.963677 -8.361599      12.71590 
1 1 1 27 7  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 7  30 o 23.01650 6.077988 2.875606       4.548261      9.117774       5.373607      -3.367980      7.339560      27.69900 8.711876 18.33400 8.477675 9.365004       12.15598 
1 1 1 27 7  31 o 18.63477 5.841042 0.8798972E-01  4.361938      -2.237999      5.582600      2.414403       6.702662      16.32214 7.485564 20.94740 8.968691 -4.625263      11.68208 
1 1 1 27 7  32 o 22.50801 6.114699 5.185159       4.110437      0.9287803      5.528758      9.443663       6.084183      18.11100 7.951415 26.90501 9.291565 -8.794006      12.22940 
1 1 1 27 7  33 o 24.56433 6.232001 7.566265       4.173490      11.07310       5.615189      4.065805       6.175574      28.41823 8.899092 20.71043 8.726828 7.707804       12.46400 
1 1 1 27 7  34 o 14.67189 4.942559 -3.755503      4.048802      -2.099851      5.675407      -5.411155      5.775299      15.39351 7.223532 13.95028 6.748049 1.443236       9.885118 
1 1 1 27 8  0  o 61.15566 4.820551 38.19972       5.824182      38.19972       5.824182      38.19972       5.824182      61.15566 4.820551 61.15566 4.820551 0.000000       0.000000 
1 1 1 27 8  1  o 34.88629 5.433084 12.86548       3.698827      14.92708       5.203578      10.79680       5.258838      37.79229 7.144773 31.98029 8.186932 5.812006       10.86617 
1 1 1 27 8  2  o 101.9730 2.544590 104.3549       5.192952      101.0961       7.197870      107.6138       7.481250      100.3816 3.585254 103.5644 3.611885 -3.182777      5.089180 
1 1 1 27 8  3  o 26.69451 5.634025 6.784134       3.591851      1.859686       5.028590      11.71071       5.130608      20.08904 8.105899 33.29998 7.827091 -13.21094      11.26805 
1 1 1 27 8  4  o 59.32820 3.476497 35.47218       4.121064      33.08470       5.763964      37.85258       5.891485      57.32333 5.027589 61.33307 4.802862 -4.009735      6.952995 
1 1 1 27 8  5  o 90.72644 2.806308 82.74717       5.060471      86.14774       6.165656      79.27575       8.026759      92.67135 3.326625 88.78154 4.520511 3.889809       5.612616 
1 1 1 27 8  6  o 46.14372 4.646008 22.20996       3.946785      27.75006       4.952786      16.66987       6.145820      52.50804 4.716217 39.77941 8.006178 12.72863       9.292017 
1 1 1 27 8  7  o 120.0186 2.528660 144.5950       6.072140      144.0283       7.289969      145.1618       9.712874      119.8465 3.041377 120.1907 4.040608 -0.3442230     5.057321 
1 1 1 27 8  8  o 50.82066 4.028790 26.11353       4.041717      28.14679       4.902486      24.08027       6.427074      52.88442 4.635095 48.75689 6.590940 4.127533       8.057580 
1 1 1 27 8  9  o 166.3062 2.430422 277.7131       8.140111      262.6939       9.578268      292.8031       13.17012      161.8703 2.958624 170.7422 3.856727 -8.871872      4.860843 
1 1 1 27 8  10 o 128.8346 2.486226 166.6279       6.424241      162.6605       7.828392      170.5952       10.18754      127.3571 3.073402 130.3121 3.908898 -2.955002      4.972453 
1 1 1 27 8  11 o 112.5651 2.612123 127.3796       5.916281      120.9327       7.127024      133.8265       9.443663      109.7736 3.246237 115.3565 4.093251 -5.582863      5.224247 
1 1 1 27 8  12 f 53.47490 4.690660 29.04653       4.981124      29.74789       5.308429      28.34516       8.430575      54.31007 4.887150 52.63974 8.007806 1.670334       9.381321 
1 1 1 27 8  13 f 42.93088 4.957169 19.02193       4.140193      19.14237       5.038509      18.90149       6.570890      43.50642 5.790535 42.35533 8.047595 1.151096       9.914337 
1 1 1 27 8  14 o 116.7285 3.048176 137.1563       7.112856      136.1644       10.06710      138.2189       10.06001      116.2882 4.328513 117.1688 4.292958 -0.8805923     6.096353 
1 1 1 27 8  15 o 57.75215 4.123253 33.84274       4.699870      36.39317       5.629357      31.29231       7.523758      60.06676 4.685917 55.43753 6.785798 4.629230       8.246507 
1 1 1 27 8  16 o 47.29328 4.762643 22.82631       4.555345      20.62303       5.376441      25.02960       7.353730      45.09586 5.961125 49.49071 7.429404 -4.394855      9.525286 
1 1 1 27 8  17 o 106.9818 3.189037 115.5485       6.835852      113.2106       8.643111      117.8864       10.59135      105.9911 4.077282 107.9726 4.904651 -1.981468      6.378074 
1 1 1 27 8  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 8  19 o 82.48045 5.355410 70.36343       8.331393      79.98421       6.977541      60.73557       15.13253      89.06130 3.917269 75.89959 9.968783 13.16171       10.71082 
1 1 1 27 8  20 o 125.1451 2.997520 158.1973       7.495420      158.3390       8.246379      158.0556       12.51834      125.4515 3.286681 124.8388 5.013803 0.6126633      5.995039 
1 1 1 27 8  21 o 62.98919 4.209447 40.58012       5.240418      42.42918       5.757588      38.73814       8.756464      64.73003 4.447386 61.24836 7.148325 3.481670       8.418895 
1 1 1 27 8  22 o 67.21062 4.330149 45.77307       5.820640      45.77307       5.820640      ?              ?             67.21062 4.330149 ?        ?        ?              ?        
1 1 1 27 8  23 o 73.16252 3.781900 54.90501       5.623690      49.83958       5.953829      59.96336       9.542846      70.08755 4.247423 76.23749 6.258631 -6.149940      7.563799 
1 1 1 27 8  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 8  25 o 74.19364 3.795285 56.66906       5.524507      60.89851       6.159988      52.43960       9.174451      77.43098 3.977728 70.95630 6.464860 6.474686       7.590569 
1 1 1 27 8  26 o 41.20065 5.715540 19.14945       4.675782      13.94233       5.121398      24.35657       7.821308      35.63507 7.429714 46.76622 8.687287 -11.13115      11.43108 
1 1 1 27 8  27 o 38.74258 5.914575 17.33581       4.569514      13.55977       4.989626      21.11895       7.658363      34.85007 7.384049 42.63510 9.241462 -7.785027      11.82915 
1 1 1 27 8  28 o 47.65508 5.551146 25.10753       4.925157      29.01110       5.516714      21.21105       8.161365      52.82040 5.222144 42.48976 9.797454 10.33064       11.10229 
1 1 1 27 8  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 8  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 8  31 o 49.44400 5.436991 28.99693       4.717580      39.26948       5.733500      18.72438       7.495420      60.89461 4.707724 37.99340 9.802082 22.90121       10.87398 
1 1 1 27 8  32 o 17.53036 5.734976 -2.333640      4.792676      -5.115730      6.788385      0.4485917      6.767839      16.06736 7.664152 18.99336 8.533499 -2.926008      11.46995 
1 1 1 27 8  33 o 58.52663 4.245367 39.43951       4.976165      34.57953       6.613398      44.30657       7.438744      54.87733 6.025618 62.17592 5.982013 -7.298588      8.490734 
1 1 1 27 9  0  o 95.37389 4.293597 91.74451       8.154280      91.74451       8.154280      91.74451       8.154280      95.37389 4.293597 95.37389 4.293597 0.000000       0.000000 
1 1 1 27 9  1  o 45.33714 4.182925 20.77181       3.790925      19.58869       5.297802      21.95492       5.423198      44.03752 6.015101 46.63677 5.814294 -2.599255      8.365850 
1 1 1 27 9  2  o 123.4279 2.406509 153.2381       5.946036      138.3606       8.040927      168.0448       8.756464      117.4327 3.423633 129.4232 3.382880 -11.99053      4.813018 
1 1 1 27 9  3  f 42.03880 4.442845 17.89549       3.726456      19.17779       5.242543      16.61319       5.297802      43.56642 6.016725 40.51118 6.538693 3.055244       8.885690 
1 1 1 27 9  4  o 68.56939 3.150252 47.43793       4.308804      42.14579       5.980750      52.73007       6.203912      64.71769 4.620645 72.42109 4.283222 -7.703400      6.300504 
1 1 1 27 9  5  o 70.33934 3.211573 49.80416       4.514963      47.75673       6.394486      51.84450       6.375357      68.88583 4.641366 71.79285 4.440106 -2.907028      6.423147 
1 1 1 27 9  6  o 92.53178 2.729064 86.14774       5.042051      94.08241       7.240376      78.28393       7.017923      96.79376 3.740105 88.26980 3.975269 8.523964       5.458127 
1 1 1 27 9  7  o 34.26022 5.737034 12.52543       3.943951      8.636027       5.518839      16.41483       5.635026      28.93999 8.774851 39.58045 7.392984 -10.64046      11.47407 
1 1 1 27 9  8  o 62.60452 3.522230 39.63079       4.396652      34.76373       6.078516      44.49077       6.354813      58.73027 5.174943 66.47877 4.779581 -7.748497      7.044461 
1 1 1 27 9  9  o 74.43276 3.088825 55.78349       4.599269      52.14914       6.318681      59.41785       6.684951      72.00357 4.387756 76.86195 4.348674 -4.858383      6.177650 
1 1 1 27 9  10 o 56.07610 3.908411 32.02202       4.330766      37.76756       6.141568      26.28356       6.108272      61.19438 5.018083 50.95781 5.993460 10.23657       7.816823 
1 1 1 27 9  11 o 31.57310 5.850314 10.42133       3.846185      11.66820       4.503628      9.174451       6.235793      33.25758 6.992078 29.88862 9.381660 3.368961       11.70063 
1 1 1 27 9  12 o 57.11980 3.973044 33.16971       4.416489      38.36266       5.504670      27.97676       6.907404      61.73003 4.458665 52.50958 6.577281 9.220448       7.946088 
1 1 1 27 9  13 o 108.5244 2.756019 118.4531       5.983583      117.9572       7.268716      118.8782       9.507423      108.3898 3.353044 108.6590 4.374890 -0.2691879     5.512038 
1 1 1 27 9  14 o 116.3993 3.075555 136.5187       7.162447      133.3306       10.10961      139.7067       10.13795      115.0310 4.394296 117.7675 4.304221 -2.736450      6.151110 
1 1 1 27 9  15 o 20.85614 5.809896 0.2082140      4.121064      5.589684       4.985375      -5.173115      6.563805      24.37607 8.411503 17.33621 8.016620 7.039854       11.61979 
1 1 1 27 9  16 o 54.45422 6.368317 32.82966       5.948870      49.47119       6.115356      16.18812       10.20879      70.04870 4.365075 38.85974 11.96528 31.18896       12.73663 
1 1 1 27 9  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 9  18 o 97.98830 3.184305 97.19958       6.179117      103.3631       7.587519      91.03606       9.755382      101.2683 3.746244 94.70824 5.150228 6.560104       6.368610 
1 1 1 27 9  19 o 49.16878 4.794636 24.79581       4.665155      26.33315       5.718623      23.26556       7.374983      50.87903 5.619823 47.45852 7.769925 3.420506       9.589272 
1 1 1 27 9  20 o 143.8328 2.629126 208.5682       7.545012      211.4729       9.238212      205.7344       11.93741      144.9795 3.186041 142.6861 4.183104 2.293396       5.258252 
1 1 1 27 9  21 o 34.35699 6.325038 12.45458       4.680741      15.21046       5.047010      9.705790       7.885069      37.84453 6.925895 30.86946 10.58567 6.975063       12.65008 
1 1 1 27 9  22 o 73.89221 3.915410 56.05270       5.591102      63.47728       6.213122      48.62104       9.294888      79.21987 3.921442 68.56455 6.778202 10.65532       7.830819 
1 1 1 27 9  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 9  24 o 29.11276 6.731138 9.011506       4.667989      8.855647       5.139817      9.160281       7.792970      28.47581 8.435001 29.74970 10.49207 -1.273886      13.46228 
1 1 1 27 9  25 o 18.13702 5.725294 -1.713036      4.344935      -0.2386774     4.806845      -3.187325      7.240376      17.23357 7.490296 19.04047 8.660913 -1.806902      11.45059 
1 1 1 27 9  26 o 18.41079 5.513419 -3.086725      4.269130      3.858937       4.742376      -10.03168      7.098687      21.29754 8.079226 15.52405 7.504484 5.773489       11.02684 
1 1 1 27 9  27 o 29.00847 6.358547 9.032760       4.455453      11.71071       5.005212      6.356938       7.374983      32.12003 7.847588 25.89690 10.00699 6.223125       12.71709 
1 1 1 27 9  28 o 79.13063 4.374553 68.32308       6.872690      69.37160       8.090520      67.26749       11.10852      80.89494 5.000633 77.36632 7.179173 3.528625       8.749106 
1 1 1 27 9  29 o 40.63610 5.792248 20.38924       5.236167      34.84874       6.021840      5.926908       8.565183      56.76865 5.303843 24.50354 10.29902 32.26511       11.58450 
1 1 1 27 9  30 o 60.93933 4.540137 41.21772       5.348103      45.49677       6.112522      36.93159       8.777717      65.55321 4.662260 56.32545 7.791964 9.227757       9.080274 
1 1 1 27 9  31 o 23.64739 5.817378 3.972997       4.338559      11.22896       5.179491      -3.285799      6.962664      29.95114 8.341948 17.34364 8.110455 12.60750       11.63476 
1 1 1 27 9  32 o 17.69999 5.483087 0.8019674      3.815013      2.340016       4.825265      -0.7353730     5.911322      18.26780 7.706561 17.13218 7.801658 1.135622       10.96617 
1 1 1 27 9  33 o 17.13849 5.292791 0.2369771      3.734958      3.593268       4.627607      -3.119313      5.863855      18.92876 7.723505 15.34822 7.238923 3.580541       10.58558 
1 1 1 27 10 0  o 14.64843 9.087875 1.763336       5.174532      1.763336       5.174532      1.763336       5.174532      14.64843 9.087875 14.64843 9.087875 0.000000       0.000000 
1 1 1 27 10 1  o 41.98906 4.554894 17.87424       3.820680      19.14237       5.456496      16.59903       5.348811      43.49820 6.272094 40.47993 6.606745 3.018272       9.109788 
1 1 1 27 10 2  f 24.90222 5.666044 5.516006       3.529507      9.932493       5.051970      1.100934       4.928699      30.66627 8.111015 19.13817 7.913762 11.52810       11.33209 
1 1 1 27 10 3  o 42.95812 4.578169 18.70313       3.929782      17.43500       5.494752      19.97834       5.618731      41.48399 6.622738 44.43225 6.322807 -2.948265      9.156339 
1 1 1 27 10 4  f 113.4802 2.494152 129.2924       5.661947      128.6548       7.955913      129.8592       8.055097      113.2175 3.513552 113.7429 3.540922 -0.5254211     4.988304 
1 1 1 27 10 5  o 68.38415 3.299482 47.06953       4.512838      47.27499       6.370398      46.85700       6.393069      68.53774 4.647366 68.23055 4.684902 0.3071899      6.598963 
1 1 1 27 10 6  f 76.20267 3.051990 58.40476       4.648860      60.49470       6.543969      56.31483       6.603478      77.57586 4.217787 74.82948 4.412351 2.746376       6.103980 
1 1 1 27 10 7  o 90.45506 2.839818 82.32210       5.134858      76.30025       7.148279      88.34394       7.367898      87.13295 4.101938 93.77716 3.928408 -6.644211      5.679637 
1 1 1 27 10 8  o 83.85626 2.942635 70.79559       4.926574      75.52096       6.958413      66.04188       6.975416      86.68281 4.013722 81.02971 4.304234 5.653099       5.885269 
1 1 1 27 10 9  o 19.98518 5.758325 1.024421       3.781007      -2.140941      5.116439      4.189784       5.568431      16.65455 7.452672 23.31581 8.780142 -6.661268      11.51665 
1 1 1 27 10 10 o 24.22642 6.229783 5.015130       3.912779      5.019381       5.420364      5.010880       5.644236      24.11378 8.725431 24.33906 8.894245 -0.2252808     12.45957 
1 1 1 27 10 11 o 44.03205 5.348086 20.55219       4.428532      26.83615       5.992085      14.26113       6.523424      51.50955 5.816480 36.55456 8.976450 14.95499       10.69617 
1 1 1 27 10 12 o 130.5173 2.556101 171.3036       6.675741      161.9521       9.160281      180.5844       9.712874      126.9662 3.607372 134.0684 3.622358 -7.102249      5.112201 
1 1 1 27 10 13 o 32.42057 6.330640 11.17937       4.240084      11.35648       5.980750      11.00934       6.011213      32.65281 8.911662 32.18832 8.993902 0.4644928      12.66128 
1 1 1 27 10 14 o 20.30584 5.969201 0.3397735      4.174198      3.701661       5.886526      -3.021547      5.919114      23.11742 8.938787 17.49425 7.913504 5.623169       11.93840 
1 1 1 27 10 15 o 68.06091 3.716076 47.12621       5.051970      39.96377       6.783425      54.28866       7.488335      62.83752 5.397592 73.28430 5.109099 -10.44678      7.432153 
1 1 1 27 10 16 o 74.97750 16.37349 65.73724       23.87483      65.73724       23.87483      ?              ?             74.97750 16.37349 ?        ?        ?              ?        
1 1 1 27 10 17 o 61.43421 5.480968 40.30382       6.182659      28.28848       9.195704      52.31208       8.267632      51.22416 9.320519 71.64426 5.769919 -20.42010      10.96194 
1 1 1 27 10 18 o 91.98424 3.143968 85.65182       5.768215      92.45296       8.133026      78.85069       8.182618      95.68413 4.249935 88.28435 4.634241 7.399780       6.287936 
1 1 1 27 10 19 o 121.5630 2.729949 149.1291       6.631108      140.4151       9.337394      157.9139       9.415324      117.9686 3.957577 125.1574 3.761394 -7.188797      5.459899 
1 1 1 27 10 20 o 104.4510 2.834441 110.2351       5.921948      111.1561       8.458915      109.3141       8.288886      104.8808 4.032631 104.0211 3.984232 0.8597183      5.668881 
1 1 1 27 10 21 o 53.15862 4.229702 29.03944       4.485917      26.32607       6.277591      31.75281       6.410071      50.62055 6.200634 55.69670 5.754445 -5.076145      8.459404 
1 1 1 27 10 22 o 68.65771 3.760849 48.52895       5.183033      56.21565       7.906322      40.83516       6.703371      74.12862 5.332841 63.18681 5.304407 10.94181       7.521697 
1 1 1 27 10 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 10 24 o 26.17405 6.562227 6.765006       4.325098      6.897486       5.730666      6.631817       6.480209      26.07144 9.016247 26.27667 9.537222 -0.2052288     13.12445 
1 1 1 27 10 25 o 27.77255 6.150658 7.835476       4.254253      1.704535       5.768215      13.97067       6.254212      20.39747 8.505520 35.14763 8.886984 -14.75015      12.30132 
1 1 1 27 10 26 f 16.02599 5.234953 -5.170990      4.103353      -10.46383      5.666197      0.1185948      5.936826      12.95511 6.365523 19.09686 8.312585 -6.141748      10.46991 
1 1 1 27 10 27 o 49.74334 5.115602 27.33207       4.757254      34.90542       6.627566      19.75164       6.826642      57.72770 5.740370 41.75898 8.469103 15.96872       10.23120 
1 1 1 27 10 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 10 29 o 34.84618 6.597631 14.91999       4.935784      19.55327       6.581517      10.27963       7.360813      40.70467 8.371470 28.98769 10.19968 11.71698       13.19526 
1 1 1 27 10 30 f 52.96906 4.517264 30.98060       4.795510      29.51410       6.290343      32.44709       7.240376      51.96905 6.052010 53.96906 6.707896 -2.000008      9.034528 
1 1 1 27 10 31 o 20.06555 6.005126 2.855769       4.182700      1.166820       5.586143      4.545426       6.227291      18.35545 8.026057 21.77566 8.934685 -3.420208      12.01025 
1 1 1 27 10 32 o 15.13311 5.053600 -4.058012      4.060137      -7.757547      5.492627      -0.3565638     5.981458      12.96319 6.340592 17.30303 7.870984 -4.339838      10.10720 
1 1 1 27 10 33 o 34.39186 6.444450 17.22955       4.507879      16.86824       6.125983      17.58377       6.614106      34.37726 8.857239 34.40645 9.363390 -0.2919006E-01 12.88890 
1 1 1 27 11 0  o 161.6653 3.351219 262.1272       10.82514      262.1272       10.82514      262.1272       10.82514      161.6653 3.351219 161.6653 3.351219 0.000000       0.000000 
1 1 1 27 11 1  o 111.3329 2.545583 124.4750       5.669739      127.0962       8.118857      121.7829       7.913406      112.5206 3.607720 110.1453 3.592258 2.375320       5.091165 
1 1 1 27 11 2  o 76.48293 2.995354 58.96444       4.570222      65.02171       6.553179      52.90009       6.371816      80.43947 4.073360 72.52637 4.392757 7.913094       5.990708 
1 1 1 27 11 3  o 183.5633 2.408365 338.0732       8.841478      335.5228       12.44041      340.6945       12.56793      182.8621 3.401583 184.2645 3.410298 -1.402328      4.816731 
1 1 1 27 11 4  o 39.52298 5.099603 16.55652       3.885150      22.02577       5.671865      11.09435       5.310555      46.67908 6.075383 32.36688 8.192286 14.31219       10.19921 
1 1 1 27 11 5  o 128.7903 2.496271 166.4862       6.428492      166.9821       9.046929      165.9902       9.139028      128.9853 3.506963 128.5954 3.553405 0.3898926      4.992542 
1 1 1 27 11 6  o 86.34171 2.927259 74.95419       5.055512      73.60814       7.119940      76.30025       7.176617      85.56404 4.160592 87.11937 4.118841 -1.555328      5.854517 
1 1 1 27 11 7  o 201.7096 2.480409 408.5642       10.01042      405.5178       14.06985      411.6105       14.23280      200.9593 3.500673 202.4599 3.514967 -1.500610      4.960817 
1 1 1 27 11 8  o 83.72931 2.999520 70.57597       5.021506      68.87569       7.091603      72.26208       7.112856      82.71900 4.286562 84.73962 4.196889 -2.020615      5.999041 
1 1 1 27 11 9  o 28.61320 5.813656 8.260548       3.810054      13.25513       5.505378      3.270214       5.268756      35.33684 7.978251 21.88955 8.458245 13.44729       11.62731 
1 1 1 27 11 10 o 113.9684 2.634075 130.4968       6.003421      130.2134       8.416408      130.7802       8.565183      113.8488 3.696309 114.0881 3.753758 -0.2392960     5.268150 
1 1 1 27 11 11 o 28.96750 6.075078 7.743378       4.311637      14.17612       5.892194      1.306385       6.296719      36.50313 8.262218 21.43187 8.908539 15.07126       12.15016 
1 1 1 27 11 12 o 37.76401 5.796993 15.18212       4.252836      15.52926       5.902112      14.82790       6.124566      38.24748 7.977091 37.28053 8.413473 0.9669533      11.59399 
1 1 1 27 11 13 o 57.20491 4.527574 33.25473       5.185159      33.75773       7.877984      32.74464       6.743044      57.57674 6.841291 56.83309 5.932323 0.7436523      9.055148 
1 1 1 27 11 14 o 69.80327 3.807386 49.30824       5.313388      50.05920       7.382068      48.55729       7.644195      70.35567 5.246249 69.25085 5.519206 1.104820       7.614773 
1 1 1 27 11 15 o 26.46399 6.848852 5.084558       5.072515      9.911241       7.002337      0.2542633      7.339560      30.96113 9.968480 21.96684 9.394493 8.994287       13.69770 
1 1 1 27 11 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 11 17 o 73.62830 3.649315 55.01128       5.372899      56.27233       7.594603      53.74315       7.601687      74.48756 5.097901 72.76903 5.223161 1.718529       7.298631 
1 1 1 27 11 18 o 58.59367 4.079005 35.00460       4.781341      37.22914       6.953454      32.78006       6.565223      60.46072 5.750390 56.72662 5.786722 3.734108       8.158010 
1 1 1 27 11 19 o 124.6947 2.678598 156.9221       6.682826      159.2599       9.649114      154.5133       9.245295      125.6225 3.840519 123.7669 3.734964 1.855659       5.357196 
1 1 1 27 11 20 o 112.0183 2.977945 127.0254       6.678575      125.0417       8.728126      129.0091       10.10961      111.2331 3.923350 112.8036 4.481066 -1.570511      5.955890 
1 1 1 27 11 21 o 27.61667 6.476454 7.771716       4.223790      6.360480       6.147236      9.188620       5.793718      25.95824 9.302007 29.27509 9.013906 -3.316853      12.95291 
1 1 1 27 11 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 11 23 o 45.53880 5.286822 23.07428       4.502211      32.49669       6.565223      13.65187       6.162822      56.08169 5.853268 34.99590 8.805748 21.08579       10.57364 
1 1 1 27 11 24 o 34.55773 6.194565 13.45350       4.313763      15.37340       6.073557      11.53359       6.127400      37.12466 8.378410 31.99080 9.126489 5.133867       12.38913 
1 1 1 27 11 25 o 24.64957 6.329903 5.873065       4.064388      4.923031       5.896444      6.823099       5.594644      23.65796 8.998792 25.64118 8.904630 -1.983217      12.65981 
1 1 1 27 11 26 o 59.22807 4.143130 37.07328       4.911696      33.08470       6.619773      41.05478       7.254546      56.00935 5.909526 62.44680 5.808581 -6.437458      8.286261 
1 1 1 27 11 27 o 49.10452 5.466487 27.18330       5.188701      29.19530       6.927242      25.17129       7.729208      51.80566 6.685797 46.40339 8.650436 5.402267       10.93297 
1 1 1 27 11 28 o 44.59555 10.30308 29.12445       9.011506      29.12445       9.011506      ?              ?             44.59555 10.30308 ?        ?        ?              ?        
1 1 1 27 11 29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 11 30 o 35.32075 6.599544 16.33690       4.911696      21.73530       7.212039      10.93850       6.672907      41.69539 8.909228 28.94610 9.738663 12.74929       13.19909 
1 1 1 27 11 31 o 35.43620 6.331245 16.57777       4.504336      14.84206       6.137318      18.31348       6.594978      33.47164 8.979756 37.40076 8.927632 -3.929119      12.66249 
1 1 1 27 11 32 o 26.28575 5.626316 7.530843       4.342101      -4.154361      5.769631      19.21321       6.490126      14.81457 7.066361 37.75693 8.757184 -22.94236      11.25263 
1 1 1 27 12 0  o 40.52187 7.813453 18.20012       5.667614      18.20012       5.667614      18.20012       5.667614      40.52187 7.813453 40.52187 7.813453 0.000000       0.000000 
1 1 1 27 12 1  o 22.84663 6.065510 3.868855       3.811471      5.528758       5.448702      2.208953       5.331808      24.80243 8.770543 20.89083 8.380885 3.911596       12.13102 
1 1 1 27 12 2  o 90.16861 2.813034 81.82619       5.066138      76.30025       7.155363      87.28126       7.169532      87.12447 4.106403 93.21275 3.845789 -6.088280      5.626068 
1 1 1 27 12 3  o 74.52850 3.195119 55.91101       4.762213      57.24290       6.789093      54.57913       6.680700      75.41817 4.500967 73.63882 4.536127 1.779358       6.390238 
1 1 1 27 12 4  o 41.76742 5.031363 18.43391       3.999918      24.00235       5.701620      12.87257       5.610938      48.71821 5.851631 34.81662 8.186383 13.90159       10.06273 
1 1 1 27 12 5  f 38.84972 5.416728 16.33690       4.121064      23.95984       5.950995      8.713958       5.701620      48.63406 6.118134 29.06539 8.940482 19.56868       10.83346 
1 1 1 27 12 6  o 88.69518 2.919844 79.20491       5.175241      75.02505       7.297054      83.38477       7.339560      86.34044 4.225745 91.04992 4.030515 -4.709480      5.839689 
1 1 1 27 12 7  o 67.42621 3.440815 45.84391       4.639651      46.16980       6.541844      45.51803       6.581517      67.66957 4.833667 67.18284 4.898213 0.4867325      6.881629 
1 1 1 27 12 8  o 69.93875 3.318308 49.27990       4.641777      49.27990       6.556013      49.27990       6.572307      69.93940 4.686924 69.93810 4.698660 0.1296997E-02  6.636615 
1 1 1 27 12 9  f 49.28067 4.642481 25.47593       4.285425      32.82257       6.002712      18.13637       6.116773      57.01920 5.263764 41.54214 7.648746 15.47706       9.284962 
1 1 1 27 12 10 o 87.51768 2.999259 77.15040       5.251753      73.74983       7.247461      80.55096       7.601687      85.58905 4.233872 89.44631 4.249301 -3.857262      5.998519 
1 1 1 27 12 11 o 88.85171 3.060072 79.62997       5.438785      75.09589       7.474166      84.09322       7.906322      86.33864 4.328402 91.36478 4.326789 -5.026138      6.120144 
1 1 1 27 12 12 o 20.46018 6.124745 0.3401277      4.362646      1.662736       5.964456      -0.9826226     6.368981      21.23513 8.733733 19.68523 8.589058 1.549902       12.24949 
1 1 1 27 12 13 o 33.95243 6.847461 12.36957       4.965539      15.93308       7.537927      8.798972       6.466040      38.43105 9.780062 29.47381 9.586514 8.957237       13.69492 
1 1 1 27 12 14 o 62.70501 4.546587 40.36050       5.657696      46.73656       8.111773      33.99152       7.892153      67.76911 5.984860 57.64091 6.845965 10.12820       9.093173 
1 1 1 27 12 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 12 16 f 81.29533 3.430381 66.98412       5.580475      63.74649       7.658363      70.22173       8.118857      79.33478 4.826612 83.25589 4.875846 -3.921112      6.860762 
1 1 1 27 12 17 o 57.67818 4.308004 34.09778       4.936492      38.69564       7.004463      29.49993       6.957705      61.66006 5.679903 53.69630 6.478757 7.963764       8.616008 
1 1 1 27 12 18 o 67.51570 4.642211 46.80741       6.303804      48.81941       10.39299      44.78832       7.141194      68.68799 7.565361 66.34342 5.381991 2.344566       9.284423 
1 1 1 27 12 19 o 161.1254 2.562646 261.9855       8.260548      268.2907       11.82406      255.6094       11.53359      163.0752 3.625340 159.1755 3.622918 3.899750       5.125292 
1 1 1 27 12 20 o 98.14287 3.232919 97.76635       6.345603      97.83719       8.508506      97.76635       9.415324      98.23708 4.330598 98.04865 4.801353 0.1884384      6.465839 
1 1 1 27 12 21 o 26.75574 6.227424 6.658739       4.234416      1.842683       6.136609      11.47692       5.835517      21.25195 8.811698 32.25954 8.802114 -11.00759      12.45485 
1 1 1 27 12 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 12 23 o 122.9469 2.686119 153.3798       6.604896      154.4425       9.408240      152.3171       9.273635      123.3661 3.813138 122.5278 3.784299 0.8383408      5.372238 
1 1 1 27 12 24 o 48.91197 4.615732 25.15712       4.493001      22.66337       6.400862      27.65796       6.307346      46.34151 6.906185 51.48243 6.125727 -5.140915      9.231463 
1 1 1 27 12 25 o 51.70313 4.325781 28.22472       4.471748      28.82690       6.296011      27.62254       6.351979      52.29822 6.019336 51.10803 6.214267 1.190189       8.651562 
1 1 1 27 12 26 o 27.76186 6.540866 8.529759       4.274089      9.571183       6.028216      7.488335       6.061513      29.04852 9.238778 26.47520 9.261570 2.573320       13.08173 
1 1 1 27 12 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 12 28 o 23.39576 6.539611 4.424282       4.755128      7.863815       6.431325      0.9861649      7.006588      26.24731 9.503676 20.54422 8.985889 5.703094       13.07922 
1 1 1 27 12 29 o 24.42389 6.464258 6.444786       4.378232      8.699788       6.006963      4.186242       6.370398      26.72016 9.231960 22.12762 9.050826 4.592541       12.92852 
1 1 1 27 12 30 o 39.34219 5.924362 19.36907       4.625482      24.43450       6.436285      14.31073       6.645278      46.02161 6.992677 32.66278 9.565289 13.35883       11.84872 
1 1 1 27 12 31 o 51.83930 5.250606 32.78006       5.510338      27.96259       6.551054      37.60462       8.862731      48.83615 6.707178 54.84245 8.080174 -6.006306      10.50121 
1 1 1 27 12 32 o 56.15699 5.274858 39.54578       5.822057      40.54470       6.999504      38.53978       9.301972      59.00384 5.931397 53.31014 8.724393 5.693695       10.54972 
1 1 1 27 13 0  o 172.3970 3.440586 298.1873       11.85240      298.1873       11.85240      298.1873       11.85240      172.3970 3.440586 172.3970 3.440586 0.000000       0.000000 
1 1 1 27 13 1  o 82.80524 2.985811 69.00320       4.945702      69.93128       7.112856      68.08221       6.873399      83.35448 4.266631 82.25601 4.178053 1.098465       5.971622 
1 1 1 27 13 2  o 156.2917 2.428052 245.3369       7.587519      239.7401       10.64095      250.9336       10.82514      154.5068 3.443519 158.0765 3.424021 -3.569626      4.856104 
1 1 1 27 13 3  o 45.10336 4.743323 20.72930       4.264880      23.00343       6.106854      18.46225       5.955245      47.61134 6.413235 42.59537 6.990484 5.015972       9.486647 
1 1 1 27 13 4  o 122.4491 2.590696 150.6877       6.344894      150.9002       8.961915      150.4043       8.983169      122.5510 3.656401 122.3472 3.671180 0.2038727      5.181392 
1 1 1 27 13 5  o 114.9884 2.621475 132.9764       6.027507      124.8292       8.352647      141.1236       8.692703      111.4567 3.747036 118.5202 3.667184 -7.063431      5.242949 
1 1 1 27 13 6  o 73.37842 3.245687 54.23906       4.763630      55.57804       6.796887      52.89301       6.675033      74.28848 4.574657 72.46835 4.605482 1.820137       6.491375 
1 1 1 27 13 7  f 47.90148 4.439405 23.52060       4.174906      28.50810       5.883692      18.52601       5.924782      53.11335 5.538807 42.68961 6.939373 10.42375       8.878811 
1 1 1 27 13 8  o 91.88658 2.935855 85.08506       5.397694      79.77167       7.396237      90.32761       7.863815      89.03246 4.153674 94.74069 4.150178 -5.708229      5.871710 
1 1 1 27 13 9  o 42.73249 5.318135 19.51785       4.313763      26.18438       6.112522      12.84423       6.088435      50.81083 6.014980 34.65416 8.772129 16.15667       10.63627 
1 1 1 27 13 10 o 51.93134 5.170746 28.47268       4.945702      36.62696       6.541844      20.31840       7.417490      60.17155 5.435995 43.69112 8.797523 16.48042       10.34149 
1 1 1 27 13 11 o 105.7200 2.883362 112.5022       6.095519      116.6820       8.643111      108.3931       8.593520      107.6781 4.013402 103.7619 4.140980 3.916222       5.766724 
1 1 1 27 13 12 f 68.69403 3.854276 47.83466       5.286468      50.99436       7.445828      44.68206       7.502505      70.99458 5.243942 66.39348 5.650031 4.601097       7.708553 
1 1 1 27 13 13 o 63.12249 9.254567 44.67497       11.38482      41.17522       14.06985      48.16764       17.90966      61.12897 11.93404 65.11601 14.14803 -3.987045      18.50913 
1 1 1 27 13 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 13 15 o 32.34669 6.878954 9.450747       5.608104      17.06660       6.909530      1.840558       8.834394      39.71865 8.917466 24.97472 10.47659 14.74394       13.75791 
1 1 1 27 13 16 o 58.09624 4.210972 34.48743       4.864230      37.93050       6.753671      31.05144       7.003046      61.07674 5.528841 55.11575 6.353035 5.960987       8.421944 
1 1 1 27 13 17 o 33.75913 6.376174 12.30581       4.491584      15.61428       6.203912      8.997337       6.497211      38.02456 8.383200 29.49370 9.609597 8.530853       12.75235 
1 1 1 27 13 18 o 68.67302 4.067886 48.19598       5.574807      47.21832       8.508506      49.18072       7.204955      67.83472 6.271498 69.51131 5.182577 -1.676598      8.135772 
1 1 1 27 13 19 o 77.30942 3.450203 60.88435       5.326849      56.10229       7.424574      65.67348       7.644195      74.23366 5.000814 80.38518 4.754729 -6.151520      6.900405 
1 1 1 27 13 20 o 145.8557 2.642390 215.2276       7.715039      224.0125       11.29272      206.5137       10.51342      148.7953 3.794716 142.9160 3.678183 5.879333       5.284780 
1 1 1 27 13 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 13 22 o 24.38736 6.399775 5.312680       4.180574      4.582266       6.000587      6.042386       5.822057      23.64556 9.053415 25.12917 9.047882 -1.483614      12.79955 
1 1 1 27 13 23 o 41.45913 5.538796 19.51785       4.430658      28.43725       6.424241      10.59135       6.104020      52.19741 6.153793 30.72085 9.211073 21.47656       11.07759 
1 1 1 27 13 24 o 21.45935 6.145161 2.851519       4.128149      4.177740       5.860313      1.524588       5.815681      22.74563 8.893257 20.17306 8.483041 2.572575       12.29032 
1 1 1 27 13 25 o 30.06906 6.502581 10.38590       4.342809      8.196787       6.168490      12.58210       6.114647      27.26057 9.361363 32.87755 9.027684 -5.616982      13.00516 
1 1 1 27 13 26 o 27.15480 8.571400 6.662989       9.472000      3.620897       12.14286      9.705790       14.54451      25.28416 11.39126 29.02543 12.81073 -3.741262      17.14280 
1 1 1 27 13 27 o 38.16389 6.688221 19.42575       5.171698      24.43450       7.679617      14.40991       6.927242      43.74231 9.081554 32.58548 9.821130 11.15683       13.37644 
1 1 1 27 13 28 o 22.42503 6.624248 1.438866       5.575515      10.25130       8.033843      -7.374983      7.729208      28.19408 10.56021 16.65597 8.000286 11.53811       13.24850 
1 1 1 27 13 29 f 34.55831 6.429440 15.38757       4.568097      11.98701       6.155738      18.78814       6.750837      30.45087 9.274226 38.66575 8.907275 -8.214882      12.85888 
1 1 1 27 13 30 o 74.18559 4.235126 61.75574       6.215247      63.88819       7.559181      59.62330       9.868733      76.79073 4.921935 71.58045 6.893456 5.210281       8.470253 
1 1 1 27 13 31 o 17.43742 5.567314 -3.634358      4.803303      4.049510       5.788759      -11.32106      7.665448      20.29531 8.495463 14.57954 7.197712 5.715770       11.13463 
1 1 1 27 14 0  o 88.82188 4.130814 79.62997       7.304138      79.62997       7.304138      79.62997       7.304138      88.82188 4.130814 88.82188 4.130814 0.000000       0.000000 
1 1 1 27 14 1  o 89.52581 2.915449 80.76351       5.202870      73.67899       7.360813      87.84802       7.360813      85.56912 4.301093 93.48250 3.937001 -7.913376      5.830898 
1 1 1 27 14 2  o 55.09613 4.003538 30.69013       4.409404      31.54736       6.206746      29.83290       6.265547      55.87688 5.553949 54.31538 5.767747 1.561493       8.007075 
1 1 1 27 14 3  o 93.14748 2.950007 87.28126       5.494752      85.93520       7.750463      88.62732       7.792970      92.42644 4.192774 93.86852 4.151003 -1.442078      5.900015 
1 1 1 27 14 4  o 98.42979 2.853598 97.55381       5.608813      104.5675       7.962997      90.54014       7.899237      101.9904 3.903800 94.86923 4.163224 7.121124       5.707196 
1 1 1 27 14 5  o 30.55497 6.243092 9.684536       4.186950      13.27639       5.974374      6.094102       5.868106      35.28613 8.544377 25.82380 9.104856 9.462330       12.48618 
1 1 1 27 14 6  o 23.08896 6.279031 3.744167       4.094851      2.787049       5.726415      4.701286       5.853937      21.98645 8.733823 24.19147 9.023596 -2.205021      12.55806 
1 1 1 27 14 7  o 133.2279 2.608629 178.4590       6.949912      181.2220       9.882903      175.6960       9.776634      134.2609 3.680483 132.1948 3.697814 2.066147       5.217258 
1 1 1 27 14 8  o 91.59224 3.098749 84.51830       5.674699      87.63548       8.012589      81.47195       8.033843      93.27548 4.295121 89.90900 4.467764 3.366486       6.197498 
1 1 1 27 14 9  o 27.95404 5.993748 6.903862       4.313763      -0.8827309     5.814264      14.69329       6.373232      18.84243 8.214048 37.06564 8.730949 -18.22321      11.98750 
1 1 1 27 14 10 o 60.11396 4.363829 36.71197       5.256712      35.35883       6.859938      38.06512       7.970083      59.05832 5.807767 61.16961 6.514741 -2.111290      8.727657 
1 1 1 27 14 11 o 101.1055 3.151363 103.3631       6.374650      94.01155       8.678535      112.7147       9.337394      96.51444 4.495977 105.6966 4.417073 -9.182182      6.302726 
1 1 1 27 14 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 14 13 o 88.82422 3.754247 80.33842       6.672907      87.56464       9.804973      73.11222       9.054014      92.83463 5.280881 84.81382 5.337582 8.020805       7.508494 
1 1 1 27 14 14 o 101.2540 3.095627 103.6465       6.272632      99.11240       8.636027      108.1806       9.096521      99.04253 4.359757 103.4654 4.395923 -4.422890      6.191254 
1 1 1 27 14 15 o 43.67006 5.903701 20.22630       5.022923      17.30039       7.268716      23.15929       6.931493      39.91026 9.274754 47.42986 7.307098 -7.519600      11.80740 
1 1 1 27 14 16 o 83.33044 3.500018 70.46262       5.831267      70.47678       7.566265      70.44845       8.876901      83.43616 4.534164 83.22472 5.333092 0.2114487      7.000037 
1 1 1 27 14 17 o 34.19293 6.321786 12.80172       4.465372      9.096521       6.169907      16.49984       6.456830      29.39375 9.346535 38.99211 8.514823 -9.598352      12.64357 
1 1 1 27 14 18 o 101.5832 2.968743 104.4966       6.029633      104.3549       8.756464      104.6383       8.295970      101.4788 4.314431 101.6876 4.079146 -0.2088242     5.937487 
1 1 1 27 14 19 o 19.85595 5.965611 -0.5542927     4.361938      -4.682158      6.269798      3.573431       6.066473      16.87383 7.815112 22.83807 9.015436 -5.964239      11.93122 
1 1 1 27 14 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 14 21 o 39.85703 6.040297 17.59086       4.682866      15.91183       6.195411      19.26989       7.023591      37.96876 8.383031 41.74530 8.698593 -3.776539      12.08059 
1 1 1 27 14 22 f 20.62541 6.070421 1.698867       4.172073      0.4296760      5.846852      2.968413       5.953829      19.43142 8.349964 21.81940 8.813521 -2.387978      12.14084 
1 1 1 27 14 23 o 52.52547 4.739023 29.20238       4.923739      25.41925       7.141194      32.99260       6.782009      48.84814 7.309586 56.20279 6.033517 -7.354641      9.478046 
1 1 1 27 14 24 o 35.71739 6.180727 14.77122       4.385316      14.57285       6.274049      14.97667       6.128108      35.40609 8.870334 36.02869 8.609457 -0.6226044     12.36145 
1 1 1 27 14 25 o 22.13943 5.909763 0.7134110      4.466789      10.46383       6.504296      -9.032760      6.123149      30.05442 9.600521 14.22443 6.894288 15.82998       11.81953 
1 1 1 27 14 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 14 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 14 28 o 27.34581 6.133672 8.267632       4.544010      -0.8133026     5.863147      17.34998       6.943536      17.62821 7.930195 37.06341 9.359472 -19.43519      12.26734 
1 1 1 27 14 29 o 21.72445 6.264811 4.091309       4.490167      -0.2961328     5.914864      8.480167       6.757213      17.67249 7.956776 25.77642 9.678902 -8.103935      12.52962 
1 1 1 27 14 30 o 31.34250 6.555853 13.68729       4.393818      13.72979       6.240043      13.64478       6.186910      31.36794 9.294534 31.31705 9.248160 0.5088806E-01  13.11171 
1 1 1 27 14 31 o 42.04575 5.474231 22.93258       4.500085      26.69446       6.631108      19.17779       6.085601      46.36568 7.150881 37.72581 8.290582 8.639866       10.94846 
1 1 1 27 15 0  o 19.86877 10.64523 5.850394       5.730666      5.850394       5.730666      5.850394       5.730666      19.86877 10.64523 19.86877 10.64523 0.000000       0.000000 
1 1 1 27 15 1  o 70.77550 3.467812 50.61179       4.896819      47.06953       6.980375      54.15405       6.869148      68.26785 5.112491 73.28315 4.686718 -5.015297      6.935625 
1 1 1 27 15 2  o 69.94672 3.495283 49.47827       4.881233      53.67231       6.982501      45.27715       6.822391      72.93965 4.786492 66.95379 5.094851 5.985863       6.990566 
1 1 1 27 15 3  o 30.64373 6.501786 9.748297       4.365480      11.83114       6.102604      7.665448       6.244294      33.30172 8.963434 27.98573 9.420707 5.315996       13.00357 
1 1 1 27 15 4  o 26.45839 6.298646 6.285384       4.210329      10.50634       6.084183      2.064428       5.820640      31.53202 9.126435 21.38477 8.683314 10.14725       12.59729 
1 1 1 27 15 5  o 32.65211 6.120992 11.32814       4.318722      5.671865       5.873774      16.98867       6.333559      25.30582 9.090307 39.99841 8.199542 -14.69258      12.24198 
1 1 1 27 15 6  o 27.12707 6.288618 6.349853       4.386734      0.6504295      6.169907      12.05077       6.237210      20.65269 8.713635 33.60145 9.069697 -12.94876      12.57724 
1 1 1 27 15 7  o 105.6163 3.121516 112.7147       6.635359      100.9544       8.380984      124.4750       10.29380      100.1319 4.184972 111.1006 4.632650 -10.96870      6.243031 
1 1 1 27 15 8  o 73.69122 3.585480 54.87667       5.283633      56.03145       7.417490      53.72898       7.523758      74.47784 4.979662 72.90460 5.160002 1.573242       7.170959 
1 1 1 27 15 9  o 19.88257 6.157276 -1.161152      4.665155      -1.454452      6.645278      -0.8678535     6.548929      19.75308 8.694582 20.01207 8.720805 -0.2589893     12.31455 
1 1 1 27 15 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 15 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 15 12 o 49.51081 5.776651 25.85140       5.554262      22.94675       7.927575      28.75606       7.785885      46.19738 8.897616 52.82423 7.369615 -6.626846      11.55330 
1 1 1 27 15 13 o 30.12503 6.868078 9.365732       4.724665      10.11669       6.492253      8.614774       6.865606      30.94371 9.544713 29.30634 9.878282 1.637367       13.73616 
1 1 1 27 15 14 o 66.65760 5.154474 45.74473       6.832309      46.30441       7.212039      45.19214       11.60444      67.50937 5.341510 65.80583 8.817183 1.703537       10.30895 
1 1 1 27 15 15 o 38.31071 5.907640 15.96850       4.616981      23.42850       6.533343      8.508506       6.525549      47.72353 6.844990 28.89789 9.630523 18.82565       11.81528 
1 1 1 27 15 16 o 26.43973 6.393675 5.930449       4.482375      11.29981       6.334976      0.5618731      6.342769      32.26511 9.304212 20.61435 8.771999 11.65077       12.78735 
1 1 1 27 15 17 o 98.95125 3.001213 99.18325       5.938243      99.46662       8.295970      98.89986       8.501422      99.11013 4.185229 98.79237 4.302671 0.3177643      6.002426 
1 1 1 27 15 18 o 39.18417 5.835695 17.03827       4.601394      25.00835       6.667948      9.061099       6.342769      49.11319 6.788348 29.25516 9.494191 19.85802       11.67139 
1 1 1 27 15 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 15 20 o 20.93402 6.191510 1.566387       4.344226      1.203660       6.062222      1.929823       6.224457      20.50846 8.644268 21.35959 8.866557 -0.8511276     12.38302 
1 1 1 27 15 21 o 73.55018 3.775572 56.07396       5.582600      48.16764       7.155363      63.98737       8.572267      68.38125 5.231963 78.71911 5.444845 -10.33786      7.551144 
1 1 1 27 15 22 f 57.63848 4.216421 34.65038       4.852186      32.20622       6.842227      37.10162       6.880484      55.52187 6.161741 59.75510 5.757236 -4.233227      8.432842 
1 1 1 27 15 23 o 44.26986 5.550693 21.74947       4.771423      23.95984       6.584351      19.53910       6.907404      47.22866 6.970716 41.31106 8.640018 5.917603       11.10139 
1 1 1 27 15 24 o 19.76042 6.186626 -0.7537927     4.870606      -0.2075764     6.208871      -1.300009      7.502505      19.25811 8.440849 20.26274 9.047069 -1.004623      12.37325 
1 1 1 27 15 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 15 26 o 25.08835 6.437332 4.920197       4.899652      12.00117       6.490835      -2.158653      7.339560      31.19024 9.528065 18.98646 8.658692 12.20378       12.87466 
1 1 1 27 15 27 o 20.62027 6.029670 1.268129       4.507879      7.091603       6.175574      -4.556053      6.568765      24.83002 9.266906 16.41052 7.717003 8.419495       12.05934 
1 1 1 27 15 28 o 23.98975 6.375021 6.653071       4.260629      9.649114       6.334976      3.661279       5.700203      27.26679 9.474893 20.71272 8.531702 6.554068       12.75004 
1 1 1 27 15 29 o 41.01952 5.706188 21.84865       4.629732      31.12229       7.029967      12.57502       6.026799      51.64027 6.806671 30.39877 9.160324 21.24150       11.41238 
1 1 1 27 15 30 o 19.97064 5.948009 2.641817       4.374690      -1.726497      6.488001      7.010130       5.870231      16.86526 7.864343 23.07602 8.925655 -6.210760      11.89602 
1 1 1 27 16 0  o 19.01650 10.69729 5.082433       6.095519      5.082433       6.095519      5.082433       6.095519      19.01650 10.69729 19.01650 10.69729 0.000000       0.000000 
1 1 1 27 16 1  o 63.93971 3.861594 41.49402       4.924448      36.68364       6.825933      46.31149       7.098687      60.18980 5.670341 67.68962 5.243556 -7.499825      7.723189 
1 1 1 27 16 2  o 31.49432 6.407157 10.23004       4.523465      15.30964       6.492960      5.144068       6.299554      37.84349 8.747229 25.14515 9.364435 12.69835       12.81431 
1 1 1 27 16 3  o 69.96317 3.717184 49.52078       5.199328      46.53820       7.190785      52.51044       7.516674      67.84591 5.299351 72.08042 5.214088 -4.234512      7.434369 
1 1 1 27 16 4  o 107.0988 2.940260 115.5485       6.294595      120.7910       8.947746      110.3059       8.855647      109.5425 4.084144 104.6551 4.230874 4.887444       5.880521 
1 1 1 27 16 5  o 81.37937 3.417885 66.86368       5.562763      65.62389       7.764632      68.10347       7.970083      80.62778 4.815110 82.13097 4.852057 -1.503189      6.835769 
1 1 1 27 16 6  o 41.03518 6.119776 17.88132       4.971206      22.06827       7.112856      13.68729       6.942828      46.39469 7.665593 35.67567 9.541767 10.71902       12.23955 
1 1 1 27 16 7  o 91.84865 3.374713 85.22675       6.200370      84.87252       8.735210      85.65182       8.798972      91.64009 4.766042 92.05721 4.779078 -0.4171143     6.749425 
1 1 1 27 16 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 16 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 16 10 o 28.97279 6.668463 7.212039       5.083141      -0.4210329     7.098687      14.84915       7.275800      21.06295 9.127744 36.88263 9.724088 -15.81968      13.33693 
1 1 1 27 16 11 o 55.12721 4.771910 31.51902       5.172406      38.49727       7.403321      24.54077       7.226208      61.44040 6.024799 48.81402 7.401775 12.62637       9.543819 
1 1 1 27 16 12 o 24.59376 6.383806 3.418280       4.671531      -3.360187      6.426365      10.19462       6.782009      18.05887 8.199755 31.12866 9.786517 -13.06979      12.76761 
1 1 1 27 16 13 o 110.7813 2.925870 123.9791       6.482334      123.1998       9.018591      124.6875       9.316141      110.4634 4.082161 111.0992 4.192711 -0.6358185     5.851741 
1 1 1 27 16 14 o 63.78561 4.426624 41.78448       5.690285      38.07928       7.021466      45.48260       8.954830      61.07496 5.748236 66.49627 6.733334 -5.421310      8.853248 
1 1 1 27 16 15 f 71.97411 3.679416 52.77966       5.294969      50.61888       7.410406      54.94043       7.566265      70.48684 5.256588 73.46139 5.149824 -2.974548      7.358832 
1 1 1 27 16 16 o 35.07692 6.422978 13.55268       4.595727      16.47859       6.611272      10.62678       6.385275      38.82595 8.726940 31.32789 9.426511 7.498060       12.84596 
1 1 1 27 16 17 o 75.02926 3.569669 57.98678       5.322598      69.13781       7.828392      46.83575       7.212039      82.39767 4.750372 67.66084 5.329552 14.73683       7.139338 
1 1 1 27 16 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 16 19 f 29.10331 7.277830 8.444746       5.462872      7.892153       8.990252      9.004422       6.208871      29.27539 11.11856 28.93123 9.393878 0.3441601      14.55566 
1 1 1 27 16 20 o 61.13047 4.057219 38.70980       4.961287      38.08637       6.860647      39.33324       7.169532      60.66873 5.654188 61.59222 5.820160 -0.9234924     8.114438 
1 1 1 27 16 21 o 51.20982 5.382334 28.55061       5.212788      34.42367       7.068224      22.67046       7.665448      57.41580 6.155295 45.00385 8.831219 12.41195       10.76467 
1 1 1 27 16 22 o 21.64431 6.315154 2.079306       4.614855      -2.023338      6.071432      6.181242       6.952037      17.75598 8.024195 25.53265 9.753819 -7.776672      12.63031 
1 1 1 27 16 23 o 21.58704 6.374633 2.323722       4.603519      1.278755       6.102604      3.368688       6.894653      20.24394 8.609049 22.93014 9.403621 -2.686193      12.74927 
1 1 1 27 16 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 16 25 o 24.05830 6.768372 5.474916       5.102978      10.36465       7.736294      0.5853229      6.658739      28.55290 10.41500 19.56370 8.647035 8.989201       13.53674 
1 1 1 27 16 26 o 24.01401 7.432882 4.483791       6.830893      0.5223415      7.821308      8.444746       11.20062      20.57759 9.211136 27.45043 11.66816 -6.872835      14.86576 
1 1 1 27 16 27 o 35.81638 6.759957 16.69112       4.962705      14.96959       7.105771      18.41266       6.931493      33.59465 9.908108 38.03811 9.198776 -4.443459      13.51991 
1 1 1 27 16 28 o 52.60948 4.748650 31.92284       5.017255      34.32449       7.757547      29.52119       6.368274      54.11016 7.168291 51.10881 6.230114 3.001350       9.497300 
1 1 1 27 16 29 o 26.54975 6.711697 10.06001       4.531257      10.93850       6.777758      9.188620       6.015463      27.37657 9.771684 25.72293 9.203353 1.653635       13.42339 
1 1 1 27 16 30 o 14.77075 4.988094 -3.980082      4.174198      -5.982875      5.889359      -1.977289      5.917697      13.84527 6.726408 15.69623 7.367480 -1.850963      9.976188 
1 1 1 27 17 0  o 56.83904 6.667562 33.92776       7.403321      33.92776       7.403321      33.92776       7.403321      56.83904 6.667562 56.83904 6.667562 0.000000       0.000000 
1 1 1 27 17 1  o 37.33206 6.770344 15.06877       5.095893      13.41099       7.034926      16.72655       7.374983      35.30687 9.678157 39.35726 9.470138 -4.050388      13.54069 
1 1 1 27 17 2  o 70.94448 3.967712 51.16439       5.622273      55.86851       8.104689      46.45318       7.792970      74.24242 5.458261 67.64655 5.760065 6.595871       7.935424 
1 1 1 27 17 3  o 109.1348 3.110113 120.2243       6.784843      116.3986       9.613690      124.0499       9.578268      107.3802 4.476473 110.8893 4.318842 -3.509125      6.220226 
1 1 1 27 17 4  o 63.46034 5.244016 41.37358       6.643153      41.69947       8.310139      41.05478       10.37173      63.90382 6.502068 63.01687 8.229332 0.8869476      10.48803 
1 1 1 27 17 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 17 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 17 7  o 65.00992 8.236999 46.21231       10.50634      42.28749       14.31781      50.13713       15.37340      61.66131 12.03950 68.35852 11.24469 -6.697208      16.47400 
1 1 1 27 17 8  o 38.60212 6.790820 16.25897       5.226957      16.12436       7.495420      16.40066       7.289969      38.41540 9.738377 38.78884 9.467047 -0.3734398     13.58164 
1 1 1 27 17 9  o 41.39217 6.149311 18.46225       4.932950      16.86824       6.955580      20.06335       6.995961      39.47332 9.006104 43.31101 8.375333 -3.837688      12.29862 
1 1 1 27 17 10 o 20.96224 6.223731 0.5177366E-01  4.621231      -4.062971      6.339226      4.166405       6.726750      17.49563 8.004059 24.42884 9.532804 -6.933210      12.44746 
1 1 1 27 17 11 o 47.31379 5.973620 23.65520       5.502545      22.81215       8.295970      24.49826       7.233293      45.88872 9.363406 48.73886 7.420457 -2.850140      11.94724 
1 1 1 27 17 12 o 54.69513 4.547461 30.67596       4.974040      30.25797       7.027133      31.08686       7.042011      54.31772 6.468545 55.07253 6.393396 -0.7548103     9.094921 
1 1 1 27 17 13 o 92.80907 3.447428 87.63548       6.427783      81.25941       8.260548      93.94070       9.847479      89.52024 4.613788 96.09789 5.123671 -6.577652      6.894856 
1 1 1 27 17 14 o 70.60860 3.732749 50.83850       5.270173      49.37200       7.431659      52.30500       7.474166      69.57405 5.340827 71.64314 5.216247 -2.069084      7.465498 
1 1 1 27 17 15 o 20.42825 6.147207 0.5977916      4.407987      0.3547218E-01  6.204620      1.160444       6.263422      19.92736 8.583165 20.92915 8.802381 -1.001793      12.29441 
1 1 1 27 17 16 o 82.79637 3.341198 69.86752       5.534425      71.19940       7.948828      68.51437       7.700871      83.58227 4.755093 82.01048 4.695053 1.571785       6.682397 
1 1 1 27 17 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 17 18 o 45.10714 5.791077 22.32332       5.140526      16.59194       6.498628      28.05469       7.970083      38.70314 8.619536 51.51115 7.736270 -12.80801      11.58215 
1 1 1 27 17 19 o 36.97605 7.043753 15.69929       5.537968      10.24421       7.792970      21.14729       7.870899      30.70736 10.52429 43.24474 9.364677 -12.53737      14.08751 
1 1 1 27 17 20 o 21.65826 6.242367 0.6933618      4.712621      6.430617       6.360480      -5.043468      6.954871      25.75160 9.438667 17.56491 8.171910 8.186689       12.48473 
1 1 1 27 17 21 o 21.62528 6.292308 1.172488       4.750877      6.030342       6.320098      -3.686074      7.091603      24.95901 9.362857 18.29156 8.408892 6.667444       12.58462 
1 1 1 27 17 22 o 24.73216 6.861421 4.985375       5.064013      2.023338       6.991711      7.948828       7.325392      21.90880 9.261272 27.55552 10.12646 -5.646719      13.72284 
1 1 1 27 17 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 17 24 o 20.47091 6.417649 1.256793       5.437367      -1.987916      8.352647      4.500794       6.965498      19.06596 8.903173 21.87586 9.245451 -2.809902      12.83530 
1 1 1 27 17 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 17 26 o 53.74108 4.794002 32.68797       5.169573      39.14904       7.948828      26.21980       6.611272      59.16077 6.717990 48.32140 6.840937 10.83937       9.588003 
1 1 1 27 17 27 o 18.32211 5.669239 0.7119941      4.056595      -1.396359      5.964456      2.819638       5.500420      17.02027 7.777112 19.62394 8.250915 -2.603670      11.33848 
1 1 1 27 17 28 o 19.69229 5.880326 2.824597       4.109020      6.243586       6.016881      -0.5943910     5.597477      22.66571 8.968665 16.71886 7.607629 5.946854       11.76065 
1 1 1 27 17 29 o 19.66930 5.674281 1.505460       4.194035      -6.727458      5.853229      9.741212       6.008380      13.64433 6.648065 25.69428 9.197450 -12.04995      11.34856 
1 1 1 27 18 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 18 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 18 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 18 3  o 36.52948 7.223893 14.56577       5.503962      13.00009       7.792970      16.13853       7.771716      34.68716 10.40917 38.37180 10.01937 -3.684635      14.44779 
1 1 1 27 18 4  o 90.80614 3.490733 83.59731       6.339226      83.59731       8.926493      83.59731       9.004422      90.81159 4.914842 90.80068 4.958345 0.1091003E-01  6.981465 
1 1 1 27 18 5  o 53.82320 4.971606 29.81874       5.338893      32.48960       7.637110      27.15496       7.467082      56.28448 6.784384 51.36191 7.269085 4.922569       9.943212 
1 1 1 27 18 6  o 37.32716 6.666567 15.17504       5.010880      12.70254       7.047678      17.65462       7.127024      34.27409 9.791067 40.38021 9.050275 -6.106121      13.33313 
1 1 1 27 18 7  o 26.48077 6.878261 6.085601       4.808262      7.141194       6.808930      5.032133       6.791219      27.60119 9.799905 25.36034 9.654208 2.240847       13.75652 
1 1 1 27 18 8  o 64.82902 4.139964 42.86842       5.358021      45.71639       7.559181      40.02044       7.594603      67.02840 5.638789 62.62963 6.063107 4.398769       8.279927 
1 1 1 27 18 9  o 47.25727 5.135314 23.01051       4.853603      22.35874       6.779883      23.66937       6.947787      46.58144 7.277452 47.93310 7.247378 -1.351662      10.27063 
1 1 1 27 18 10 o 29.44067 5.787951 6.959831       4.631149      18.07261       6.490835      -4.151527      6.607729      41.02549 8.200682 17.85585 8.170089 23.16964       11.57590 
1 1 1 27 18 11 f 49.74342 5.006124 25.54677       4.980416      25.34840       7.058305      25.75222       7.027842      49.53697 7.124280 49.94988 7.034894 -0.4129066     10.01225 
1 1 1 27 18 12 o 72.76952 3.733973 54.07613       5.421073      58.95736       7.715039      49.19489       7.615856      76.11443 5.068053 69.42460 5.484984 6.689835       7.467946 
1 1 1 27 18 13 o 104.6686 3.896662 112.0771       8.033843      119.0199       8.990252      105.0634       13.31889      108.4212 4.145986 100.9161 6.598993 7.505066       7.793324 
1 1 1 27 18 14 o 72.69162 3.825907 54.18948       5.554262      48.76982       7.658363      59.60913       8.048012      69.00515 5.549125 76.37810 5.268534 -7.372948      7.651813 
1 1 1 27 18 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 18 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 18 17 o 30.33846 6.659055 9.330310       4.919489      15.13961       6.710455      3.525256       7.197870      36.76933 9.150523 23.90759 9.676776 12.86174       13.31811 
1 1 1 27 18 18 o 49.93525 5.737285 27.19038       5.552136      23.69063       7.892153      30.69721       7.814223      46.05015 8.886212 53.82034 7.259544 -7.770195      11.47457 
1 1 1 27 18 19 o 62.21246 4.732800 40.96268       5.844728      47.01994       8.366816      34.89833       8.168448      67.04454 6.239745 57.38039 7.117805 9.664150       9.465599 
1 1 1 27 18 20 f 67.19840 4.096004 47.43085       5.508921      48.64230       8.175533      46.21939       7.389152      67.92962 6.017650 66.46719 5.558497 1.462433       8.192008 
1 1 1 27 18 21 o 53.19510 5.024621 30.85307       5.311971      38.56812       8.040927      23.14512       6.939286      60.15816 6.683157 46.23204 7.504844 13.92612       10.04924 
1 1 1 27 18 22 o 49.71924 17.40465 57.80967       21.40941      57.80967       21.40941      ?              ?             49.71924 17.40465 ?        ?        ?              ?        
1 1 1 27 18 23 o 56.15452 7.813903 48.08262       8.636027      42.91093       10.02459      53.24723       14.06277      56.72997 8.835360 55.57907 12.89049 1.150898       15.62781 
1 1 1 27 18 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 18 25 o 44.88525 5.303592 23.60561       4.582975      29.85416       6.792635      17.36415       6.155029      51.86767 6.548044 37.90282 8.344787 13.96485       10.60718 
1 1 1 27 18 26 o 28.95143 6.518983 10.99517       4.338559      8.976085       6.279008      13.01426       5.988543      26.35154 9.405336 31.55132 9.029297 -5.199776      13.03797 
1 1 1 27 18 27 f 21.36712 6.225650 4.721831       4.326515      4.552511       6.542552      4.891151       5.662655      21.45316 9.008334 21.28108 8.595626 0.1720772      12.45130 
1 1 1 27 18 28 f 20.07338 6.076789 3.703786       4.378232      5.769631       6.509964      1.637232       5.857479      21.90963 9.079563 18.23713 8.079047 3.672499       12.15358 
1 1 1 27 19 0  o 15.40122 9.917583 0.7637110      6.801137      0.7637110      6.801137      0.7637110      6.801137      15.40122 9.917583 15.40122 9.917583 0.000000       0.000000 
1 1 1 27 19 1  o 129.2602 2.868974 168.6115       7.417490      168.5407       10.39299      168.6115       10.58427      129.2571 4.020278 129.2634 4.094070 -0.6332397E-02 5.737948 
1 1 1 27 19 2  o 21.48502 6.315126 0.1130689      4.770006      5.107938       6.930784      -4.881941      6.556013      25.57745 9.748218 17.39258 8.030910 8.184864       12.63025 
1 1 1 27 19 3  o 28.26767 6.730378 7.119940       4.893277      1.710202       6.927950      12.52543       6.911656      22.49181 9.346472 34.04354 9.686869 -11.55173      13.46076 
1 1 1 27 19 4  o 103.7689 3.096897 108.8182       6.426365      108.0389       8.983169      109.5975       9.195704      103.4063 4.343629 104.1316 4.415423 -0.7253723     6.193794 
1 1 1 27 19 5  o 67.55232 3.983699 46.54528       5.373607      42.17413       7.452912      50.91643       7.743378      64.33983 5.791834 70.76482 5.471206 -6.424995      7.967399 
1 1 1 27 19 6  f 59.99675 4.377458 37.08745       5.181617      43.83900       7.297054      30.33591       7.353730      65.62833 5.559377 54.36517 6.763274 11.26317       8.754915 
1 1 1 27 19 7  f 36.63398 6.438043 14.62245       4.701995      14.40283       6.611980      14.84206       6.688493      36.36011 9.104118 36.90786 9.105417 -0.5477486     12.87609 
1 1 1 27 19 8  o 63.18461 4.257206 40.88475       5.390610      37.98718       7.169532      43.78941       8.055097      60.97295 5.879273 65.39627 6.158682 -4.423325      8.514413 
1 1 1 27 19 9  o 76.53781 3.585920 59.59496       5.487668      57.65380       7.715039      61.52904       7.807138      75.27973 5.124248 77.79588 5.017706 -2.516151      7.171840 
1 1 1 27 19 10 o 80.53534 3.932094 66.38902       6.263422      59.87834       9.429493      72.89968       8.253463      76.38164 6.172618 84.68903 4.872805 -8.307396      7.864187 
1 1 1 27 19 11 o 83.67114 3.551569 71.83701       5.889359      84.58914       8.480167      59.09196       8.175533      91.26197 4.646058 76.08031 5.372962 15.18166       7.103139 
1 1 1 27 19 12 o 55.78206 5.517456 33.02094       6.312305      25.65304       7.018632      40.38884       10.49217      49.70307 7.060561 61.86105 8.480434 -12.15797      11.03491 
1 1 1 27 19 13 o 79.57245 5.044694 66.79992       7.509589      82.10956       8.543928      51.46902       12.34832      89.73907 4.760429 69.40582 8.895734 20.33324       10.08939 
1 1 1 27 19 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 19 15 o 32.06922 6.982873 10.89599       5.379274      4.090600       7.438744      17.70421       7.771716      24.63615 9.892672 39.50230 9.857845 -14.86615      13.96575 
1 1 1 27 19 16 f 28.52687 7.134388 8.239295       5.145485      6.026091       7.127024      10.44966       7.424574      26.09831 9.903191 30.95543 10.27253 -4.857126      14.26878 
1 1 1 27 19 17 o 70.24103 4.024797 51.41943       5.676116      58.24891       8.628942      44.58287       7.374983      74.89869 5.760410 65.58337 5.622601 9.315315       8.049594 
1 1 1 27 19 18 o 36.13172 6.797435 15.01918       5.034966      13.92108       7.516674      16.11728       6.698411      34.63775 10.18256 37.62569 9.007553 -2.987942      13.59487 
1 1 1 27 19 19 o 35.41138 6.036924 14.48075       5.051261      26.02852       7.707955      2.937241       6.531926      48.72530 7.909604 22.09746 9.122280 26.62784       12.07385 
1 1 1 27 19 20 o 22.94221 6.637864 3.063345       4.940034      0.8373900      7.261631      5.290009       6.703371      21.37167 9.246299 24.51276 9.526328 -3.141098      13.27573 
1 1 1 27 19 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 19 22 o 21.02805 6.932114 0.2559636      7.134109      -7.481250      8.614774      7.991336       11.37774      16.88793 8.182837 25.16817 11.19187 -8.280237      13.86423 
1 1 1 27 19 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 19 24 o 21.74010 6.419668 3.606728       4.665863      4.439159       7.141194      2.774297       6.005546      22.92424 9.505386 20.55596 8.631116 2.368279       12.83934 
1 1 1 27 19 25 o 21.44500 6.351464 3.800843       4.616981      2.587266       6.662281      5.014421       6.393069      20.54479 8.872102 22.34520 9.091214 -1.800409      12.70293 
1 1 1 27 19 26 o 50.49402 4.931422 30.03835       4.937201      28.30973       7.410406      31.76698       6.525549      48.21995 7.683963 52.76809 6.183235 -4.548138      9.862844 
1 1 1 27 19 27 o 13.12560 4.578484 -9.507423      4.306678      -8.288886      6.191869      -10.71888      5.988543      13.66837 6.696403 12.58284 6.245659 1.085531       9.156968 
1 1 1 27 20 0  o 36.66734 11.03880 17.00284       7.044137      17.00284       7.044137      17.00284       7.044137      36.66734 11.03880 36.66734 11.03880 0.000000       0.000000 
1 1 1 27 20 1  o 73.27112 3.761680 54.64288       5.502545      57.79550       7.729208      51.49736       7.835476      75.42854 5.123530 71.11370 5.509119 4.314842       7.523361 
1 1 1 27 20 2  o 21.28555 6.371399 0.4996710      4.766464      -1.926280      6.495794      2.925197       6.976833      19.05952 8.467423 23.51156 9.522691 -4.452040      12.74280 
1 1 1 27 20 3  o 26.50843 6.824806 6.347728       4.698452      6.003421       6.436993      6.692744       6.845061      25.96122 9.497240 27.05565 9.803793 -1.094433      13.64961 
1 1 1 27 20 4  o 82.30115 3.531992 68.80483       5.814264      69.49912       8.225125      68.11056       8.218040      82.72238 4.971523 81.87991 5.018350 0.8424759      7.063985 
1 1 1 27 20 5  f 15.19641 5.173409 -9.372816      4.626898      -7.821308      6.563097      -10.92433      6.524841      15.86364 7.558913 14.52918 7.065372 1.334465       10.34682 
1 1 1 27 20 6  o 40.39843 6.261197 17.78922       4.927282      16.06060       7.041303      19.51785       6.895361      38.26221 9.282868 42.53465 8.404684 -4.272438      12.52239 
1 1 1 27 20 7  o 113.8026 2.980622 131.4886       6.766423      145.3035       9.712874      117.6030       9.422408      119.8668 4.051529 107.7384 4.372819 12.12840       5.961244 
1 1 1 27 20 8  o 54.36595 4.730903 30.74681       5.085975      36.38609       7.268716      25.10045       7.112856      59.53729 6.104338 49.19461 7.229303 10.34268       9.461806 
1 1 1 27 20 9  o 42.63063 6.438922 19.90749       5.338893      20.72222       6.944952      19.09278       8.111773      43.81499 8.228373 41.44627 9.906199 2.368713       12.87784 
1 1 1 27 20 10 o 48.77311 7.198993 26.60237       6.839394      29.78331       10.59135      23.42850       8.650196      51.56368 10.63340 45.98254 9.707360 5.581135       14.39799 
1 1 1 27 20 11 o 64.71625 5.191626 44.60412       6.485168      56.78949       9.061099      32.41875       9.280719      74.16455 6.108780 55.26794 8.396113 18.89661       10.38325 
1 1 1 27 20 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 20 13 o 30.76977 7.319369 9.932493       5.547177      5.233334       7.566265      14.63661       8.118857      25.73153 10.09602 35.80800 10.60014 -10.07646      14.63874 
1 1 1 27 20 14 o 16.46197 5.513751 -7.523758      4.875566      -4.882650      7.141194      -10.17337      6.635359      18.06921 8.357944 14.85473 7.193785 3.214478       11.02750 
1 1 1 27 20 15 o 28.88776 7.466466 8.458915       5.749794      9.160281       9.521592      7.764632       6.451162      30.42137 11.47499 27.35414 9.555990 3.067225       14.93293 
1 1 1 27 20 16 o 30.59689 7.192798 10.06001       5.299928      8.111773       8.225125      12.00826       6.688493      28.67465 10.69608 32.51913 9.619732 -3.844475      14.38560 
1 1 1 27 20 17 o 33.29509 6.095062 11.26438       5.000253      2.648193       7.863815      19.88624       6.174866      23.46704 9.866087 43.12315 7.159572 -19.65611      12.19012 
1 1 1 27 20 18 o 24.72021 6.896831 5.470665       5.075349      6.587184       8.274716      4.354145       5.882984      26.70297 10.53297 22.73744 8.906270 3.965534       13.79366 
1 1 1 27 20 19 o 26.90530 7.006294 7.445828       5.265214      13.46767       8.685618      1.431073       5.951704      33.63007 11.11071 20.18054 8.538423 13.44952       14.01259 
1 1 1 27 20 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 20 21 o 25.19965 7.113717 7.410406       5.520965      11.92324       8.834394      2.901819       6.627566      29.44186 11.06469 20.95743 8.943850 8.484434       14.22743 
1 1 1 27 20 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 20 23 o 38.85302 6.918160 19.38324       5.547885      20.29006       9.323226      18.47642       6.010505      38.18903 11.37030 39.51702 7.884163 -1.327988      13.83632 
1 1 1 27 20 24 o 28.68221 6.967477 11.61152       5.276549      20.11295       8.855647      3.100893       5.737042      37.20956 11.08209 20.15486 8.448093 17.05470       13.93495 
1 1 1 27 20 25 o 22.12587 6.473043 4.068638       5.132025      13.15595       8.366816      -5.020798      5.946036      29.39324 10.82037 14.85849 7.107796 14.53474       12.94609 
1 1 1 27 20 26 f 33.42525 6.301639 15.69929       4.864938      8.069265       7.148279      23.32223       6.597104      24.23070 9.710998 42.61979 8.033627 -18.38909      12.60328 
1 1 1 27 21 0  o 37.03005 10.97230 17.30039       7.058305      17.30039       7.058305      17.30039       7.058305      37.03005 10.97230 37.03005 10.97230 0.000000       0.000000 
1 1 1 27 21 1  o 55.85261 4.688222 32.23455       5.214913      35.71305       7.403321      28.75606       7.346645      58.96012 6.278244 52.74510 6.964292 6.215027       9.376445 
1 1 1 27 21 2  o 30.49346 6.033394 8.324308       4.839434      -2.656694      6.677866      19.30531       7.006588      18.80498 8.461210 42.18194 8.603214 -23.37696      12.06679 
1 1 1 27 21 3  o 77.61995 3.723078 61.47945       5.779550      57.87342       7.984251      65.08546       8.359732      75.33194 5.299380 79.90795 5.230851 -4.576012      7.446155 
1 1 1 27 21 4  f 39.50034 6.500566 17.15162       5.046302      16.44317       6.942828      17.86007       7.325392      38.69456 9.111542 40.30612 9.274117 -1.611557      13.00113 
1 1 1 27 21 5  o 59.72118 4.791270 37.14413       5.609521      30.42800       8.189702      43.85316       7.672533      54.03845 7.577663 65.40390 5.865501 -11.36545      9.582540 
1 1 1 27 21 6  o 21.41196 6.419116 -2.770755      5.385650      -12.12161      7.148279      6.578683       8.055097      15.07858 7.346874 27.74535 10.52823 -12.66677      12.83823 
1 1 1 27 21 7  o 23.48508 6.978231 1.459411       5.655571      3.343892       7.219123      -0.4245752     8.706873      23.97061 9.695674 22.99955 10.03876 0.9710541      13.95646 
1 1 1 27 21 8  o 24.86283 6.864157 2.828140       5.425323      9.209873       7.580434      -3.554303      7.764632      29.91817 10.36756 19.80750 8.998908 10.11067       13.72831 
1 1 1 27 21 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 21 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 21 11 o 34.38924 7.353160 11.76738       6.448328      7.268716       11.35648      16.25897       6.111105      30.36489 12.21070 38.41359 8.196017 -8.048695      14.70632 
1 1 1 27 21 12 o 25.53946 7.195122 4.056595       5.702329      1.081806       8.614774      7.032093       7.474166      23.64597 10.14738 27.43295 10.20342 -3.786985      14.39024 
1 1 1 27 21 13 o 21.61995 6.405005 -0.5479874     5.201453      -5.996336      8.451830      4.900361       6.069307      19.31339 8.994319 23.92650 9.121325 -4.613106      12.81001 
1 1 1 27 21 14 o 29.05170 7.149495 8.699788       5.270881      7.530843       8.515590      9.875818       6.215956      28.31339 10.80120 29.79001 9.369913 -1.476616      14.29899 
1 1 1 27 21 15 o 67.85760 4.331876 48.20306       5.817806      45.86517       9.316141      50.53387       6.972582      65.70000 7.089909 70.01519 4.979336 -4.315186      8.663752 
1 1 1 27 21 16 o 31.34976 6.988456 11.41316       5.010171      11.53359       8.118857      11.29272       5.873065      31.45705 10.74210 31.24247 8.942105 0.2145824      13.97691 
1 1 1 27 21 17 o 27.99859 7.026328 8.416408       5.292843      14.99793       8.551013      1.834182       6.236501      35.15769 10.97623 20.83948 8.774940 14.31821       14.05266 
1 1 1 27 21 18 o 36.94357 7.336452 17.31456       5.861730      24.09444       9.479085      10.53468       6.897486      44.01062 10.82870 29.87652 9.901178 14.13411       14.67290 
1 1 1 27 21 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 21 20 o 19.02629 6.208960 -3.588309      5.766089      -6.296719      9.620775      -0.8798972     6.355521      19.61292 9.256807 18.43966 8.277455 1.173265       12.41792 
1 1 1 27 21 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 21 22 f 23.52278 6.886622 4.575890       5.437367      2.626939       8.423491      6.524841       6.876941      22.52676 9.852858 24.51880 9.624109 -1.992037      13.77324 
1 1 1 27 21 23 o 17.62180 5.818079 -2.812554      5.064722      -1.987916      7.842561      -3.637900      6.410071      18.87439 8.741228 16.36921 7.680566 2.505180       11.63616 
1 1 1 27 21 24 o 51.70837 5.913544 34.84166       5.865981      48.25265       9.131943      21.43067       7.367898      63.68829 7.169249 39.72845 9.406481 23.95983       11.82709 
1 1 1 27 21 25 o 18.38975 5.943828 0.1917071      4.918780      0.1284423      7.474166      0.2549718      6.398028      18.83706 8.648345 17.94243 8.156132 0.8946285      11.88766 
1 1 1 27 22 0  o 59.13163 7.401615 37.31416       8.529759      37.31416       8.529759      37.31416       8.529759      59.13163 7.401615 59.13163 7.401615 0.000000       0.000000 
1 1 1 27 22 1  o 98.91568 3.544349 99.82085       7.008005      99.11240       10.47092      100.5293       9.316141      98.44141 5.318350 99.38995 4.686662 -0.9485321     7.088698 
1 1 1 27 22 2  o 61.17450 5.304719 39.17738       6.476666      36.64821       9.195704      41.70655       9.124859      59.09650 7.780244 63.25249 7.213044 -4.155991      10.60944 
1 1 1 27 22 3  o 78.50032 4.559350 63.81025       7.162447      60.60097       9.847479      67.01246       10.40007      76.53297 6.433488 80.46767 6.462268 -3.934692      9.118699 
1 1 1 27 22 4  o 38.40863 7.428246 16.54235       6.231542      23.57019       8.706873      9.514507       8.919409      45.92921 9.770939 30.88804 11.19125 15.04118       14.85649 
1 1 1 27 22 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 22 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 22 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 22 8  f 60.59628 5.042903 38.72398       5.940369      33.29723       9.372816      44.14363       7.297054      55.76369 8.404051 65.42887 5.576326 -9.665184      10.08581 
1 1 1 27 22 9  o 33.64446 7.974820 12.80172       6.621190      15.80556       11.64695      9.804973       6.301678      37.32294 12.85889 29.96598 9.436095 7.356964       15.94964 
1 1 1 27 22 10 o 27.05824 7.009638 6.893235       5.236167      12.41916       8.473083      1.366603       6.152903      33.37340 10.97394 20.74308 8.724261 12.63032       14.01928 
1 1 1 27 22 11 o 49.38461 6.050373 26.76531       5.691702      24.08027       9.252379      29.45742       6.628275      45.64462 10.36871 53.12460 6.238423 -7.479977      12.10075 
1 1 1 27 22 12 o 54.00192 5.160084 31.07978       5.632900      34.66455       9.018591      27.49501       6.754380      56.84257 7.932956 51.16127 6.601067 5.681297       10.32017 
1 1 1 27 22 13 o 51.70518 6.362444 30.56969       5.959496      18.64645       9.549930      42.50002       7.127024      39.42738 11.44132 63.98299 5.569468 -24.55561      12.72489 
1 1 1 27 22 14 o 38.32136 6.657677 16.59194       5.526632      11.59027       9.082352      21.60069       6.301678      31.76233 11.31419 44.88038 7.020527 -13.11805      13.31535 
1 1 1 27 22 15 o 21.84888 6.670558 1.584098       5.362980      2.609228       8.855647      0.5581892      6.055138      24.16528 10.32647 19.53249 8.446855 4.632786       13.34112 
1 1 1 27 22 16 o 23.22148 6.628966 -1.828514      6.048761      -11.91616      10.14503      8.260548       6.587184      18.86547 9.086878 27.57750 9.654087 -8.712032      13.25793 
1 1 1 27 22 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 22 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 22 19 o 26.05838 7.624361 5.421073       6.755087      0.4384608      9.684536      10.40716       9.422408      22.77177 10.22010 29.34498 11.31694 -6.573214      15.24872 
1 1 1 27 22 20 o 23.10778 6.663670 2.694951       5.498294      -3.589017      8.579351      8.976085       6.881192      19.26520 9.006671 26.95037 9.823333 -7.685173      13.32734 
1 1 1 27 22 21 o 22.72440 6.466727 2.361269       5.234042      -5.078182      7.885069      9.797889       6.882609      17.75741 8.380826 27.69139 9.850685 -9.933975      12.93345 
1 1 1 27 22 22 f 22.78859 6.617666 4.299594       5.151861      0.2031840      7.785885      8.395153       6.750837      19.92488 9.041137 25.65230 9.666016 -5.727413      13.23533 
1 1 1 27 22 23 o 26.44622 6.644853 8.373900       5.143360      1.539466       7.722124      15.21046       6.799012      20.15495 9.082028 32.73748 9.702218 -12.58253      13.28971 
1 1 1 27 22 24 o 23.33233 6.716722 7.275800       4.962705      8.508506       7.814223      6.040968       6.123149      24.51862 10.02571 22.14604 8.941061 2.372574       13.43344 
1 1 1 27 23 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 23 1  o 70.16078 10.09755 54.35950       14.16904      54.35950       14.16904      ?              ?             70.16078 10.09755 ?        ?        ?              ?        
1 1 1 27 23 2  o 78.18831 6.573188 66.73616       10.30089      58.79441       13.60227      74.67081       15.47967      73.55463 9.246375 82.82198 9.345147 -9.267349      13.14638 
1 1 1 27 23 3  o 98.93634 4.165521 101.3086       8.239295      100.1042       11.96575      102.4421       11.32814      98.25202 6.089315 99.62066 5.685640 -1.368637      8.331042 
1 1 1 27 23 4  o 61.87038 5.168771 40.32507       6.432034      43.01011       10.09544      37.64004       7.970083      63.66262 7.928858 60.07814 6.633097 3.584480       10.33754 
1 1 1 27 23 5  o 49.88127 6.638651 28.85524       6.373940      13.76522       8.983169      43.94526       9.046929      34.96256 11.29412 64.79998 6.980658 -29.83742      13.27730 
1 1 1 27 23 6  o 49.05309 6.033070 26.53860       5.930449      33.43184       9.698705      19.64537       6.830184      55.81274 8.688612 42.29343 8.372559 13.51932       12.06614 
1 1 1 27 23 7  o 41.57426 6.950246 19.80831       5.786633      23.03177       9.415324      16.59194       6.726042      44.64388 10.67381 38.50463 8.904683 6.139252       13.90049 
1 1 1 27 23 8  o 28.35539 7.175097 8.104689       5.290009      7.622942       8.551013      8.586436       6.227999      28.47978 10.83560 28.23100 9.408397 0.2487793      14.35019 
1 1 1 27 23 9  o 69.72015 4.588426 50.97310       6.362606      49.35075       9.967916      52.59546       7.906322      68.17461 7.310579 71.26569 5.547075 -3.091080      9.176851 
1 1 1 27 23 10 o 24.89572 6.955014 4.228040       5.384233      2.191241       8.855647      6.264839       6.128108      24.39185 10.37178 25.39959 9.269034 -1.007736      13.91003 
1 1 1 27 23 11 o 56.63639 5.569414 35.12504       6.356938      43.13054       9.996255      27.11245       7.856731      63.16064 7.913358 50.11214 7.839149 13.04850       11.13883 
1 1 1 27 23 12 o 75.97488 4.315850 60.99061       6.584351      63.60480       10.74013      58.37643       7.622942      76.98764 6.975229 74.96213 5.084528 2.025513       8.631701 
1 1 1 27 23 13 o 42.37047 7.243312 21.04102       6.507129      16.99576       10.86765      25.09336       7.155363      36.67432 12.42825 48.06661 7.443174 -11.39229      14.48662 
1 1 1 27 23 14 o 27.12607 6.612699 -1.445242      6.545386      -18.88733      10.67637      15.99684       7.573349      17.50657 8.622601 36.74557 10.02806 -19.23900      13.22540 
1 1 1 27 23 15 o 24.35360 8.192116 -5.605271      11.44858      -12.87257      18.10803      1.662736       14.00609      23.43382 11.47384 25.27339 11.69590 -1.839577      16.38423 
1 1 1 27 23 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 23 17 o 19.87817 6.458382 -2.541925      5.923365      -3.237624      9.032760      -1.846934      7.658363      20.28750 9.390096 19.46884 8.869549 0.8186531      12.91676 
1 1 1 27 23 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 23 19 o 28.00735 7.030564 9.202788       5.297802      6.412906       8.458915      11.98701       6.381025      25.30184 10.40271 30.71287 9.460387 -5.411030      14.06113 
1 1 1 27 23 20 o 17.68192 5.825161 -2.493042      5.004504      -0.4184825     8.069265      -4.568097      5.924782      20.04612 9.124994 15.31773 7.243237 4.728395       11.65032 
1 1 1 27 23 21 o 50.78455 6.591723 33.34683       6.478083      34.74247       11.04476      31.94409       6.778466      48.55933 11.52931 53.00978 6.393600 -4.450447      13.18345 
1 1 1 27 23 22 o 42.48725 6.325818 24.19363       5.271589      27.85633       8.494337      20.53093       6.247128      44.77397 9.756771 40.20053 8.054148 4.573437       12.65164 
1 1 1 27 23 23 o 22.90866 6.825468 6.531926       5.421073      9.323226       7.757547      3.739917       7.573349      24.98855 10.07409 20.82878 9.211986 4.159763       13.65094 
1 1 1 27 24 0  o 39.54778 11.29760 19.83665       7.736294      19.83665       7.736294      19.83665       7.736294      39.54778 11.29760 39.54778 11.29760 0.000000       0.000000 
1 1 1 27 24 1  o 84.41061 5.011786 75.16674       8.317224      70.73183       13.70146      79.62997       9.443663      80.97184 8.460631 87.84938 5.374917 -6.877541      10.02357 
1 1 1 27 24 2  o 47.77217 7.250347 25.81598       6.944245      24.14404       12.08619      27.49501       6.837976      44.36890 12.86995 51.17545 6.680915 -6.806549      14.50069 
1 1 1 27 24 3  o 43.30191 7.734772 21.87699       7.045553      22.31623       12.24913      21.43067       6.969748      42.54213 13.10806 44.06170 8.214960 -1.519573      15.46954 
1 1 1 27 24 4  f 35.07943 7.835731 13.07802       6.910239      9.309056       11.83114      16.84698       7.141194      31.71465 12.56781 38.44421 9.361883 -6.729563      15.67146 
1 1 1 27 24 5  o 52.17933 7.323908 31.20022       7.339560      22.71296       12.39791      39.68038       7.849646      42.79742 13.18756 61.56124 6.375477 -18.76383      14.64782 
1 1 1 27 24 6  o 64.28693 6.876576 0.000000       0.000000      ?              ?             43.59812       8.841478      ?        ?        64.28693 6.876576 ?              ?        
1 1 1 27 24 7  f 26.92216 7.028814 5.122815       5.847561      15.97559       9.429493      -5.729958      6.920157      36.71038 11.53933 17.13394 8.028751 19.57644       14.05763 
1 1 1 27 24 8  o 34.07843 7.503472 13.48184       5.788051      12.89382       9.202788      14.06985       7.018632      33.35942 11.43637 34.79743 9.716885 -1.438007      15.00694 
1 1 1 27 24 9  o 24.11986 7.148210 1.379356       6.363315      -3.299260      10.51342      6.057971       7.169532      22.66121 10.34246 25.57851 9.870210 -2.917307      14.29642 
1 1 1 27 24 10 o 33.04259 8.133916 13.07802       6.689201      13.59519       10.62678      12.55377       8.125941      33.63514 12.21266 32.45005 10.74678 1.185085       16.26783 
1 1 1 27 24 11 o 28.37394 8.118988 3.258878       8.125941      14.53035       11.08019      -8.012589      11.88782      34.65568 12.48155 22.09221 10.38667 12.56347       16.23798 
1 1 1 27 24 12 o 34.41802 8.369910 13.45350       7.445828      8.735210       11.61861      18.17887       9.323226      30.41037 12.30031 38.42567 11.35447 -8.015305      16.73982 
1 1 1 27 24 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 24 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 24 15 o 20.02738 6.523906 -2.364104      6.053721      4.890443       9.918325      -9.620775      6.943536      25.14938 10.84241 14.90539 7.258616 10.24399       13.04781 
1 1 1 27 24 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 24 17 o 22.74109 6.773013 4.139484       5.358729      8.898154       8.706873      -0.6201787     6.247837      27.26293 10.78847 18.21924 8.191689 9.043684       13.54603 
1 1 1 27 24 18 o 44.91348 6.380376 24.93750       5.647778      25.92933       9.195704      23.94567       6.556721      43.99677 10.56728 45.83020 7.153276 -1.833427      12.76075 
1 1 1 27 24 19 o 31.51785 5.714582 10.08835       5.196494      -2.744542      8.118857      22.91842       6.487293      18.77266 8.770664 44.26305 7.328114 -25.49039      11.42916 
1 1 1 27 24 20 o 35.65637 6.334296 16.78322       5.304887      8.869816       8.310139      24.70371       6.595686      25.71199 10.40152 45.60075 7.231992 -19.88876      12.66859 
1 1 1 27 24 21 o 31.19448 7.637710 16.18812       5.975791      22.34457       10.13086      10.03168       6.338518      35.83772 11.99954 26.55125 9.452484 9.286474       15.27542 
1 1 1 27 24 22 o 21.06517 6.240770 2.863562       5.056929      14.36740       8.133026      -8.643111      6.016881      28.97522 10.66796 13.15513 6.479461 15.82010       12.48154 
1 1 1 27 25 0  o 99.16158 5.250075 100.8835       10.35048      100.8835       10.35048      100.8835       10.35048      99.16158 5.250075 99.16158 5.250075 0.000000       0.000000 
1 1 1 27 25 1  o 28.17923 7.250614 7.715039       5.536551      12.34123       7.991336      3.094517       7.665448      32.68593 10.65741 23.67252 9.833884 9.013411       14.50123 
1 1 1 27 25 2  o 23.53635 6.921195 2.763670       5.443035      0.5496169      7.842561      4.978291       7.552096      21.98031 9.560660 25.09239 10.01027 -3.112074      13.84239 
1 1 1 27 25 3  o 38.83317 7.000713 18.77397       5.909196      29.37241       9.847479      8.168448       6.529800      50.12066 10.17809 27.54568 9.614902 22.57498       14.00143 
1 1 1 27 25 4  o 19.84759 6.410758 -2.343558      5.611646      0.2998877      9.301972      -4.986792      6.283967      23.31584 10.27377 16.37934 7.670789 6.936497       12.82152 
1 1 1 27 25 5  o 20.49891 6.766984 -5.980750      7.127024      -9.443663      12.35540      -2.517838      7.112856      22.04711 10.44160 18.95071 8.610530 3.096401       13.53397 
1 1 1 27 25 6  o 23.85530 7.900877 -1.126438      8.961915      6.294595       16.31564      -8.551013      7.431659      31.25764 13.69176 16.45295 7.888677 14.80469       15.80175 
1 1 1 27 25 7  o 35.32550 9.267609 15.90474       9.642029      19.57452       17.72546      12.23496       7.608772      38.51806 15.34547 32.13294 10.39571 6.385120       18.53522 
1 1 1 27 25 8  o 20.98773 7.059957 -13.06385      9.160281      -23.76856      16.67695      -2.363395      7.573349      22.28253 10.93956 19.69292 8.927370 2.589605       14.11991 
1 1 1 27 25 9  o 30.35656 7.238832 -4.893277      9.011506      -28.83399      16.06769      19.05027       8.175533      20.73734 10.28180 39.97579 10.19251 -19.23845      14.47766 
1 1 1 27 25 10 o 36.55965 9.820556 22.20288       10.33631      34.94793       18.30639      9.457831       9.613690      44.49925 16.04175 28.62004 11.33293 15.87921       19.64111 
1 1 1 27 25 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 25 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 25 13 o 53.66909 6.556118 35.08253       6.960539      43.44935       10.98100      26.70863       8.551013      60.60711 9.059172 46.73107 9.479564 13.87603       13.11224 
1 1 1 27 25 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 25 15 o 64.54216 5.193368 47.54420       6.636068      44.75290       10.10961      50.33550       8.600604      61.65917 8.197974 67.42514 6.377892 -5.765968      10.38674 
1 1 1 27 25 16 o 26.80000 7.292600 8.735210       5.533717      10.12378       8.423491      7.353730       7.176617      28.21530 10.74879 25.38470 9.858576 2.830601       14.58520 
1 1 1 27 25 17 o 19.39148 6.236802 -1.131397      5.476333      -3.778882      8.515590      1.516087       6.884734      18.76154 8.812088 20.02143 8.828243 -1.259890      12.47360 
1 1 1 27 25 18 o 19.20923 6.204036 -0.4648861     5.350936      2.754460       8.182618      -3.683949      6.896070      21.59131 9.558946 16.82716 7.911183 4.764147       12.40807 
1 1 1 27 25 19 o 15.07401 5.207936 -8.529759      5.141234      -7.254546      7.622942      -9.812057      6.900320      15.93604 7.716238 14.21197 6.996430 1.724068       10.41587 
1 1 1 27 25 20 o 59.45503 4.905576 43.13763       5.896444      51.95785       9.344479      34.31032       7.197870      65.27733 7.157523 53.63274 6.710333 11.64459       9.811152 
1 1 1 27 25 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 26 0  f 17.99330 11.78382 1.142733       10.15211      1.142733       10.15211      1.142733       10.15211      17.99330 11.78382 17.99330 11.78382 0.000000       0.000000 
1 1 1 27 26 1  o 52.47321 7.162816 32.61712       7.183701      43.45643       9.323226      21.77781       10.92433      63.46495 7.345176 41.48148 12.29927 21.98348       14.32563 
1 1 1 27 26 2  f 47.50527 7.348796 27.56586       7.176617      15.28839       9.160281      39.84333       11.04476      35.48957 11.39900 59.52097 9.278044 -24.03140      14.69759 
1 1 1 27 26 3  o 40.12629 7.676512 19.92875       6.962664      8.069265       8.954830      31.78823       10.66220      28.57595 11.03004 51.67662 10.67959 -23.10067      15.35302 
1 1 1 27 26 4  o 28.77817 7.767640 8.458915       6.244294      10.74721       9.429493      6.171323       8.189702      31.10637 11.48231 26.44997 10.46430 4.656395       15.53528 
1 1 1 27 26 5  o 40.68083 8.087296 21.88408       7.396237      33.93484       12.31289      9.840395       8.203872      51.74935 12.10079 29.61231 10.73259 22.13704       16.17459 
1 1 1 27 26 6  o 25.52303 7.789793 4.502211       7.452912      12.97884       12.27038      -3.973706      8.451830      31.72458 12.71944 19.32147 8.996626 12.40312       15.57959 
1 1 1 27 26 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 26 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 26 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 26 10 o 27.41722 8.387802 7.119940       8.558097      7.906322       13.81481      6.327891       10.10961      28.63465 12.57040 26.19979 11.10882 2.434868       16.77560 
1 1 1 27 26 11 o 23.74816 7.600576 1.351726       7.707955      6.329308       12.83006      -3.625148      8.536844      27.91737 12.18567 19.57895 9.087607 8.338425       15.20115 
1 1 1 27 26 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 26 13 o 22.44636 6.844518 -1.313470      6.860647      -8.947746      12.07202      6.317973       6.523424      20.68798 9.951885 24.20474 9.399451 -3.516758      13.68904 
1 1 1 27 26 14 o 32.48872 7.699152 13.55977       6.941411      10.61969       12.10744      16.50693       6.791928      29.04332 12.22776 35.93413 9.358940 -6.890804      15.39830 
1 1 1 27 26 15 o 32.58310 7.414522 15.01918       5.596769      16.48567       9.082352      13.55977       6.540427      33.28289 11.36164 31.88332 9.529617 1.399570       14.82904 
1 1 1 27 26 16 o 18.65622 6.041764 -0.8331393     5.078891      3.028632       7.948828      -4.694201      6.322932      21.65735 9.521109 15.65509 7.440438 6.002254       12.08353 
1 1 1 27 26 17 o 28.04200 7.364889 11.66820       5.577641      11.12269       8.437660      12.21371       7.297054      27.30493 10.67212 28.77908 10.15244 -1.474146      14.72978 
1 1 1 27 26 18 o 18.21717 6.012154 -1.414070      5.396277      -1.533798      8.083434      -1.294341      7.155363      18.57407 8.698877 17.86026 8.301416 0.7138100      12.02431 
1 1 1 27 26 19 o 25.95281 7.035727 10.42841       5.358021      7.622942       8.033843      13.24096       7.091603      23.24375 9.881062 28.66186 10.01851 -5.418114      14.07145 
1 1 1 27 27 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 27 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 27 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 27 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 27 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 27 5  o 29.03232 8.401019 13.07802       7.842561      18.85899       12.20662      7.289969       9.854564      32.82238 12.83467 25.24225 10.84341 7.580135       16.80204 
1 1 1 27 27 6  o 24.73867 7.467102 4.034633       6.718248      1.686115       10.40716      6.383151       8.501422      23.87822 10.65854 25.59912 10.46068 -1.720894      14.93420 
1 1 1 27 27 7  o 51.36058 8.109953 35.16755       8.388069      43.32183       14.35323      27.02035       8.692703      55.66373 13.09663 47.05743 9.568883 8.606297       16.21991 
1 1 1 27 27 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 27 9  o 29.39608 9.048767 10.40716       10.10961      17.47042       15.11836      3.346018       13.41808      32.99486 13.76495 25.79730 11.74933 7.197557       18.09753 
1 1 1 27 27 10 o 25.38723 6.973483 6.081350       5.742710      16.35815       9.358648      -4.195451      6.655196      34.05260 11.53317 16.72186 7.842437 17.33074       13.94697 
1 1 1 27 27 11 o 32.59254 7.423697 14.21154       5.613772      14.74997       8.997337      13.67312       6.712580      32.60187 11.29525 32.58321 9.636516 0.1865768E-01  14.84739 
1 1 1 27 27 12 o 22.00693 6.663976 3.003835       5.420364      0.9712875      8.558097      5.036384       6.655904      21.29931 9.581332 22.71455 9.264576 -1.415247      13.32795 
1 1 1 27 27 13 o 23.56301 7.008429 1.861811       6.888276      -4.791259      12.03660      8.515590       6.698411      21.28779 10.16647 25.83824 9.649621 -4.550447      14.01686 
1 1 1 27 27 14 o 31.12199 6.852095 10.59844       6.676449      1.415487       11.60444      19.77997       6.607021      22.96384 10.63433 39.28014 8.643828 -16.31630      13.70419 
1 1 1 27 27 15 o 21.96777 6.947955 4.586517       6.335684      7.849646       11.00934      1.324096       6.268381      25.16949 11.12249 18.76604 8.329859 6.403448       13.89591 
1 1 1 27 27 16 o 28.71911 7.416570 12.38374       6.303804      10.55593       10.73304      14.21863       6.610563      26.18012 11.28277 31.25810 9.629181 -5.077982      14.83314 
1 1 1 27 27 17 o 18.74434 6.259696 0.5301345E-01  6.110397      2.094184       10.44966      -1.987916      6.332142      21.14515 9.900757 16.34352 7.662256 4.801636       12.51939 
1 1 1 27 28 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 28 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 28 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 28 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 27 28 4  o 54.77310 6.958394 38.07928       7.424574      35.72014       10.67637      40.43134       10.32923      51.93966 10.64424 57.60653 8.965325 -5.666870      13.91679 
1 1 1 27 28 5  o 19.94949 6.454953 -5.142652      6.289635      -14.84915      9.075267      4.561721       8.713958      15.94092 7.860632 23.95805 10.24090 -8.017129      12.90991 
1 1 1 27 28 6  o 30.20868 7.987579 12.12869       6.495794      12.27038       9.273635      11.99409       9.096521      30.32705 11.34845 30.09030 11.24359 0.2367496      15.97516 
1 1 1 27 28 7  o 21.64635 6.694876 -1.956744      6.204620      -11.73905      9.153197      7.828392       8.380984      16.94357 8.265950 26.34913 10.53373 -9.405565      13.38975 
1 1 1 27 28 8  o 34.14923 7.781671 16.45733       6.073557      19.30531       9.415324      13.60936       7.679617      36.60518 11.53550 31.69328 10.44748 4.911905       15.56334 
1 1 1 27 28 9  o 23.72320 7.191265 3.515338       6.461789      10.23713       9.167366      -3.207161      9.103605      27.79232 11.04729 19.65408 9.209481 8.138235       14.38253 
1 1 1 27 28 10 o 25.49318 7.264016 8.005506       5.715789      9.280719       8.820225      6.729583       7.275800      26.73686 10.75725 24.24950 9.764494 2.487362       14.52803 
1 1 1 27 28 11 o 25.70327 7.303496 8.090520       5.959496      13.64478       8.969000      2.541217       7.849646      30.13725 11.18364 21.26930 9.396294 8.867952       14.60699 
1 1 1 27 28 12 o 17.94419 5.935611 -2.458328      5.331808      -2.793425      7.906322      -2.123938      7.155363      18.16201 8.523246 17.72638 8.263183 0.4356308      11.87122 
1 1 1 27 28 13 o 30.48677 7.531221 14.44533       5.710121      13.02843       8.317224      15.86224       7.821308      28.85124 10.75702 32.12231 10.54342 -3.271067      15.06244 
1 1 1 27 28 14 o 19.30964 6.248731 0.4481665      5.458621      5.253170       8.331393      -4.356979      7.051221      22.35836 9.788869 16.26092 7.769466 6.097443       12.49746 
1 1 1 27 28 15 o 19.29995 6.165613 0.9960832      5.274423      8.140111       8.083434      -6.150070      6.775633      23.63943 9.973759 14.96047 7.251432 8.678964       12.33123 
1 1 1 27 29 0  o 18.32279 11.32222 5.017255       7.970083      5.017255       7.970083      5.017255       7.970083      18.32279 11.32222 18.32279 11.32222 0.000000       0.000000 
1 1 1 27 29 1  o 23.57172 6.730976 4.352728       5.366522      -2.777131      7.226208      11.48400       7.934660      17.98960 8.354158 29.15385 10.55614 -11.16425      13.46195 
1 1 1 27 29 2  o 24.68185 6.736374 5.992085       5.162488      -0.9486170E-01 7.275800      12.07910       7.325392      19.49197 8.797709 29.87173 10.20369 -10.37976      13.47275 
1 1 1 27 29 3  o 18.00659 5.969273 -3.637900      5.435242      -3.520297      7.757547      -3.755503      7.608772      18.14537 8.502329 17.86781 8.380888 0.2775574      11.93855 
1 1 1 27 29 4  o 21.70517 6.734888 2.707703       5.604562      2.592225       7.778800      2.823180       8.069265      21.52056 9.440091 21.88979 9.608306 -0.3692322     13.46978 
1 1 1 27 29 5  o 21.00516 6.276608 -1.019462      5.352353      -12.38374      7.382068      10.34340       7.750463      14.33168 7.072472 27.67864 10.37127 -13.34696      12.55322 
1 1 1 27 29 6  o 21.89832 6.578952 1.631564       5.574807      -7.304138      7.474166      10.56302       8.274716      16.08827 7.761531 27.70838 10.62493 -11.62011      13.15790 
1 1 1 27 29 7  o 35.06519 7.487787 17.76089       5.793718      19.24155       7.630026      16.28731       8.721042      37.29284 10.01579 32.83755 11.13336 4.455296       14.97557 
1 1 1 27 29 8  o 20.80531 6.480123 2.291842       5.333225      -1.557885      7.069641      6.141568       7.984251      18.01433 8.326216 23.59630 9.931873 -5.581972      12.96025 
1 1 1 27 29 9  o 26.39769 7.056330 8.976085       5.734209      -0.3073264     7.382068      18.25680       8.777717      18.83781 8.626127 33.95758 11.16947 -15.11977      14.11266 
1 1 1 27 29 10 o 22.01388 6.708288 4.799760       5.417531      8.699788       8.395153      0.9025675      6.847187      25.11064 10.35038 18.91711 8.536635 6.193533       13.41658 
1 1 1 27 29 11 o 43.75325 6.645319 26.80782       5.810013      19.86499       8.798972      33.74356       7.587519      34.82546 11.17055 52.68103 7.201376 -17.85557      13.29064 
1 1 1 27 29 12 o 20.44870 6.450422 3.503294       5.348811      5.460038       8.317224      1.547258       6.730292      22.11078 9.729734 18.78661 8.471367 3.324173       12.90084 
1 1 1 27 29 13 o 24.98072 7.182770 10.25838       5.766797      7.941744       8.473083      12.57502       7.828392      23.07710 9.986040 26.88434 10.32704 -3.807243      14.36554 
1 1 1 27 30 0  o 20.93216 11.81882 8.465999       7.474166      8.465999       7.474166      8.465999       7.474166      20.93216 11.81882 20.93216 11.81882 0.000000       0.000000 
1 1 1 27 30 1  f 25.44724 6.997184 8.728126       5.146902      10.30797       7.353730      7.141194       7.197870      26.92549 10.09971 23.96900 9.687007 2.956491       13.99437 
1 1 1 27 30 2  f 16.67601 5.590751 -4.480249      5.066138      -1.980123      6.878358      -6.980375      7.438744      17.46018 8.124593 15.89184 7.682251 1.568343       11.18150 
1 1 1 27 30 3  o 17.63731 5.835074 -2.384649      5.144068      -2.775714      7.304138      -1.993583      7.247461      17.47317 8.198584 17.80145 8.305154 -0.3282890     11.67015 
1 1 1 27 30 4  o 18.06360 5.924775 -1.615978      5.141943      -4.134524      7.240376      0.9032760      7.304138      16.75179 7.961805 19.37541 8.776190 -2.623619      11.84955 
1 1 1 27 30 5  o 37.86536 7.227625 21.00560       5.604562      20.23338       7.906322      21.77781       7.941744      36.98902 10.30793 38.74171 10.13415 -1.752689      14.45525 
1 1 1 27 30 6  o 18.16038 6.095672 -5.893611      6.505004      -11.84531      10.64095      0.6103312E-01  7.488335      17.38793 8.563477 18.93283 8.677310 -1.544905      12.19134 
1 1 1 27 30 7  o 21.44686 6.537314 4.557470       5.108645      5.167447       7.029259      3.948202       7.417490      21.78752 9.251758 21.10621 9.238554 0.6813087      13.07463 
1 1 1 27 30 8  o 19.36826 6.271626 0.6094810      5.654153      2.487374       7.075308      -1.268129      8.820225      19.71922 8.795565 19.01731 8.942664 0.7019176      12.54325 
1 1 1 27 30 9  o 19.68460 6.220217 2.393150       5.125648      5.066847       6.925116      -0.2803344     7.559181      21.11399 9.080662 18.25522 8.503293 2.858768       12.44043 
1 1 1 27 31 0  o 19.39544 11.33723 7.622942       7.197870      7.622942       7.197870      7.622942       7.197870      19.39544 11.33723 19.39544 11.33723 0.000000       0.000000 
1 1 1 27 31 1  o 21.25753 6.469233 4.898944       5.042051      7.105771       7.105771      2.694951       7.155363      22.83724 9.476315 19.67783 8.809276 3.159412       12.93847 
1 1 1 27 31 2  o 24.84564 6.792691 8.862731       5.202161      2.483123       7.062556      15.24588       7.637110      19.43230 8.724327 30.25899 10.41387 -10.82669      13.58538 
1 1 1 27 31 3  o 29.55497 7.128948 14.34615       5.256004      9.783719       7.204955      18.90858       7.651280      24.93993 9.831400 34.17001 10.32624 -9.230087      14.25790 
1 1 1 27 31 4  o 19.95802 6.201762 1.739958       5.215622      -6.793344      7.049803      10.27255       7.686701      14.90495 7.268327 25.01109 10.05081 -10.10614      12.40352 
1 1 1 28 0  0  o 13.87776 9.227033 -1.249001      6.536176      -1.249001      6.536176      -1.249001      6.536176      13.87776 9.227033 13.87776 9.227033 0.000000       0.000000 
1 1 1 28 0  1  o 26.36001 9.539155 9.287803       4.601394      9.287803       4.601394      9.287803       4.601394      26.36001 9.539155 26.36001 9.539155 0.000000       0.000000 
1 1 1 28 0  2  o 221.9931 3.395751 493.8617       15.06877      493.8617       15.06877      493.8617       15.06877      221.9931 3.395751 221.9931 3.395751 0.000000       0.000000 
1 1 1 28 0  3  o 59.82188 4.605636 36.51360       5.445868      36.51360       5.445868      36.51360       5.445868      59.82188 4.605636 59.82188 4.605636 0.000000       0.000000 
1 1 1 28 0  4  o 208.2609 3.357780 434.7060       13.97775      434.7060       13.97775      434.7060       13.97775      208.2609 3.357780 208.2609 3.357780 0.000000       0.000000 
1 1 1 28 0  5  o 114.6542 3.321202 131.9846       7.601687      131.9846       7.601687      131.9846       7.601687      114.6542 3.321202 114.6542 3.321202 0.000000       0.000000 
1 1 1 28 0  6  o 15.30315 9.073086 2.757294       4.717580      2.757294       4.717580      2.757294       4.717580      15.30315 9.073086 15.30315 9.073086 0.000000       0.000000 
1 1 1 28 0  7  o 83.61532 3.784480 70.49096       6.300971      70.49096       6.300971      70.49096       6.300971      83.61532 3.784480 83.61532 3.784480 0.000000       0.000000 
1 1 1 28 0  8  o 58.92929 4.731965 35.50760       5.506795      35.50760       5.506795      35.50760       5.506795      58.92929 4.731965 58.92929 4.731965 0.000000       0.000000 
1 1 1 28 0  9  o 17.90089 9.911496 4.557470       5.121398      4.557470       5.121398      4.557470       5.121398      17.90089 9.911496 17.90089 9.911496 0.000000       0.000000 
1 1 1 28 0  10 o 9.805787 6.911704 -4.823848      4.981833      -4.823848      4.981833      -4.823848      4.981833      9.805787 6.911704 9.805787 6.911704 0.000000       0.000000 
1 1 1 28 0  11 o 115.3560 3.452161 133.6848       7.948828      133.6848       7.948828      133.6848       7.948828      115.3560 3.452161 115.3560 3.452161 0.000000       0.000000 
1 1 1 28 0  12 o 41.82603 6.945064 18.78814       5.389901      18.78814       5.389901      18.78814       5.389901      41.82603 6.945064 41.82603 6.945064 0.000000       0.000000 
1 1 1 28 0  13 o 118.0749 3.465596 140.0609       8.168448      140.0609       8.168448      140.0609       8.168448      118.0749 3.465596 118.0749 3.465596 0.000000       0.000000 
1 1 1 28 0  14 o 107.2917 4.126976 115.9736       8.827310      115.9736       8.827310      115.9736       8.827310      107.2917 4.126976 107.2917 4.126976 0.000000       0.000000 
1 1 1 28 0  15 f 85.03602 4.069705 73.04137       6.887568      73.04137       6.887568      73.04137       6.887568      85.03602 4.069705 85.03602 4.069705 0.000000       0.000000 
1 1 1 28 0  16 f 18.55054 10.31327 4.911696       5.576224      4.911696       5.576224      4.911696       5.576224      18.55054 10.31327 18.55054 10.31327 0.000000       0.000000 
1 1 1 28 0  17 o 13.31247 8.867472 -1.172488      6.104020      -1.172488      6.104020      -1.172488      6.104020      13.31247 8.867472 13.31247 8.867472 0.000000       0.000000 
1 1 1 28 0  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 0  19 o 15.59087 9.796412 1.714453       6.226583      1.714453       6.226583      1.714453       6.226583      15.59087 9.796412 15.59087 9.796412 0.000000       0.000000 
1 1 1 28 0  20 o 104.3835 3.917947 109.8809       8.154280      109.8809       8.154280      109.8809       8.154280      104.3835 3.917947 104.3835 3.917947 0.000000       0.000000 
1 1 1 28 0  21 o 15.04642 9.446609 1.639357       5.775299      1.639357       5.775299      1.639357       5.775299      15.04642 9.446609 15.04642 9.446609 0.000000       0.000000 
1 1 1 28 0  22 o 26.23267 10.79993 9.925409       5.581892      9.925409       5.581892      9.925409       5.581892      26.23267 10.79993 26.23267 10.79993 0.000000       0.000000 
1 1 1 28 0  23 o 18.74989 10.31493 5.239709       5.497586      5.239709       5.497586      5.239709       5.497586      18.74989 10.31493 18.74989 10.31493 0.000000       0.000000 
1 1 1 28 0  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 0  25 o 90.55486 4.109840 83.17223       7.410406      83.17223       7.410406      83.17223       7.410406      90.55486 4.109840 90.55486 4.109840 0.000000       0.000000 
1 1 1 28 0  26 o 13.27352 8.632028 0.3115771      5.336059      0.3115771      5.336059      0.3115771      5.336059      13.27352 8.632028 13.27352 8.632028 0.000000       0.000000 
1 1 1 28 0  27 o 9.253028 6.663095 -7.007296      5.362272      -7.007296      5.362272      -7.007296      5.362272      9.253028 6.663095 9.253028 6.663095 0.000000       0.000000 
1 1 1 28 0  28 o 36.56343 9.156175 16.23771       5.785217      16.23771       5.785217      16.23771       5.785217      36.56343 9.156175 36.56343 9.156175 0.000000       0.000000 
1 1 1 28 0  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 0  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 0  31 o 16.46293 9.696100 4.119648       5.328265      4.119648       5.328265      4.119648       5.328265      16.46293 9.696100 16.46293 9.696100 0.000000       0.000000 
1 1 1 28 0  32 o 39.95125 7.714355 18.82356       5.515297      18.82356       5.515297      18.82356       5.515297      39.95125 7.714355 39.95125 7.714355 0.000000       0.000000 
1 1 1 28 0  33 o 23.07577 10.60147 9.195704       5.320473      9.195704       5.320473      9.195704       5.320473      23.07577 10.60147 23.07577 10.60147 0.000000       0.000000 
1 1 1 28 1  0  o 24.11304 9.789824 8.175533       4.605645      8.175533       4.605645      8.175533       4.605645      24.11304 9.789824 24.11304 9.789824 0.000000       0.000000 
1 1 1 28 1  1  o 147.1201 2.230554 216.9988       6.562388      224.1541       9.379901      209.9143       9.181536      149.5360 3.136336 144.7042 3.172519 4.831802       4.461108 
1 1 1 28 1  2  o 44.25131 4.090314 19.75872       3.615937      20.77889       5.100852      18.73855       5.126357      45.40493 5.617069 43.09769 5.947370 2.307247       8.180628 
1 1 1 28 1  3  o 135.7596 2.297976 184.8351       6.240752      180.0884       8.721042      189.5817       8.926493      134.0157 3.253739 137.5035 3.245915 -3.487808      4.595953 
1 1 1 28 1  4  o 197.2952 2.330880 390.3569       9.202788      395.9537       13.10636      384.8310       12.90799      198.7003 3.298022 195.8902 3.294702 2.810165       4.661760 
1 1 1 28 1  5  o 151.1720 2.270822 229.1841       6.865606      227.2713       9.705790      231.0970       9.712874      150.5395 3.223668 151.8045 3.199138 -1.265015      4.541643 
1 1 1 28 1  6  o 63.31377 3.187342 40.32507       4.036050      40.65805       5.672574      39.98502       5.742002      63.58177 4.460849 63.04576 4.553836 0.5360069      6.374684 
1 1 1 28 1  7  o 21.04485 5.689277 3.102310       3.348143      2.415112       4.792676      3.789509       4.677198      20.30303 8.013700 21.78667 8.077876 -1.483639      11.37855 
1 1 1 28 1  8  o 67.49336 3.045532 45.84391       4.109020      43.20847       5.738459      48.47936       5.882275      65.54562 4.377454 69.44110 4.235442 -3.895477      6.091065 
1 1 1 28 1  9  o 66.42664 3.124937 44.39867       4.151527      42.52836       5.786633      46.26899       5.953829      65.02428 4.449595 67.82899 4.388853 -2.804710      6.249874 
1 1 1 28 1  10 o 134.5190 2.355488 181.6470       6.339226      174.9167       8.806056      188.3065       9.117774      132.0382 3.334661 136.9997 3.327662 -4.961487      4.710977 
1 1 1 28 1  11 o 85.87811 2.731539 74.31659       4.692076      66.33234       6.357646      82.32210       6.901738      81.24059 3.912851 90.51564 3.812456 -9.275055      5.463078 
1 1 1 28 1  12 o 53.00137 3.693805 28.38058       3.912071      29.45034       5.500420      27.30373       5.565597      54.01696 5.091383 51.98579 5.352999 2.031174       7.387609 
1 1 1 28 1  13 o 118.0479 2.442194 139.9192       5.766089      138.9982       8.104689      140.8402       8.203872      117.6607 3.444093 118.4351 3.463447 -0.7743530     4.884387 
1 1 1 28 1  14 o 66.78645 3.400668 44.98669       4.530550      46.47443       6.006963      43.49894       6.784843      67.93375 4.421192 65.63914 5.168290 2.294609       6.801335 
1 1 1 28 1  15 o 117.5084 2.551963 138.8566       5.995627      134.8892       8.444746      142.7530       8.515590      115.8379 3.645069 119.1789 3.572607 -3.341003      5.103925 
1 1 1 28 1  16 o 25.76268 6.560721 5.767506       4.437742      8.940661       6.869148      2.593642       5.620148      29.89286 9.880821 21.63250 8.633750 8.260368       13.12144 
1 1 1 28 1  17 o 148.3770 3.278878 222.3830       9.642029      232.7264       11.17937      212.0396       15.71346      152.0931 3.675172 144.6608 5.431140 7.432343       6.557757 
1 1 1 28 1  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 1  19 o 25.96710 6.526732 4.058012       4.965539      9.521592       5.567723      -1.407694      8.225125      29.91343 8.753998 22.02077 9.682999 7.892654       13.05346 
1 1 1 28 1  20 o 25.12741 6.331925 5.478457       4.136650      7.212039       5.191535      3.747001       6.441952      26.57265 8.586095 23.68217 9.308711 2.890478       12.66385 
1 1 1 28 1  21 o 106.6635 2.761620 114.9817       5.834808      122.7038       7.275800      107.2596       9.124859      110.3951 3.295344 102.9318 4.432480 7.463387       5.523240 
1 1 1 28 1  22 o 26.96776 5.950242 6.946370       4.002044      1.117228       5.445160      12.77339       5.865981      19.72127 8.246300 34.21425 8.580213 -14.49298      11.90048 
1 1 1 28 1  23 o 38.38851 5.467571 15.91891       4.124607      11.83823       5.659822      19.99959       6.002712      32.86082 8.536392 43.91621 6.834278 -11.05539      10.93514 
1 1 1 28 1  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 1  25 o 50.04690 4.257000 25.98601       4.260629      28.50101       6.241460      23.47809       5.802220      52.49176 5.945181 47.60204 6.094507 4.889717       8.514000 
1 1 1 28 1  26 o 16.85900 5.311739 -1.717996      3.683241      -3.652069      5.252461      0.2167863      5.164613      15.52426 7.175877 18.19374 7.833587 -2.669474      10.62348 
1 1 1 28 1  27 o 48.34027 4.188247 24.58328       4.047385      24.36366       5.869523      24.79581       5.575515      48.05246 6.107412 48.62808 5.732815 -0.5756226     8.376493 
1 1 1 28 1  28 o 19.03962 5.578658 -0.4138067     3.892942      -6.262714      5.423907      5.435242       5.586851      14.28931 6.824274 23.78993 8.826945 -9.500626      11.15732 
1 1 1 28 1  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 1  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 1  31 o 22.34903 5.672537 4.153653       3.768963      -2.002793      5.191535      10.30797       5.464997      15.84672 7.247055 28.85135 8.728739 -13.00463      11.34507 
1 1 1 28 1  32 o 17.09751 5.297568 0.9068184E-01  3.581224      2.916696       5.022923      -2.735332      5.107229      19.22830 7.972342 14.96671 6.978444 4.261581       10.59514 
1 1 1 28 1  33 o 33.08318 5.719501 14.23280       3.758337      15.16795       5.333225      13.30472       5.297094      34.38905 7.913575 31.77732 8.259907 2.611723       11.43900 
1 1 1 28 2  0  o 8.539749 6.155365 -6.611272      4.633983      -6.611272      4.633983      -6.611272      4.633983      8.539749 6.155365 8.539749 6.155365 0.000000       0.000000 
1 1 1 28 2  1  o 164.6703 2.273242 271.9038       7.488335      270.6286       10.56302      273.1082       10.61261      164.2949 3.214651 165.0458 3.215050 -0.7508850     4.546485 
1 1 1 28 2  2  o 68.76611 3.185972 47.56545       4.358396      50.27174       5.702329      44.86625       6.592144      70.75658 4.029539 66.77565 4.936038 3.980934       6.371943 
1 1 1 28 2  3  o 38.25136 4.736886 15.07585       3.530924      16.57069       4.985375      13.58102       5.002378      40.50792 6.153581 35.99479 7.203180 4.513126       9.473772 
1 1 1 28 2  4  o 20.13139 5.558159 2.103393       3.358061      4.459704       4.788426      -0.2533424     4.709079      22.79612 8.205733 17.46666 7.499231 5.329464       11.11632 
1 1 1 28 2  5  o 184.4797 2.289139 341.3321       8.444746      338.9942       11.88074      343.6700       12.00826      183.8490 3.231113 185.1105 3.243538 -1.261490      4.578278 
1 1 1 28 2  6  o 53.88931 3.498490 29.25906       3.768963      30.42800       5.350936      28.09011       5.309138      54.97239 4.866930 52.80624 5.026999 2.166149       6.996980 
1 1 1 28 2  7  o 90.09299 2.582837 81.82619       4.645319      92.31127       6.788385      71.34109       6.342769      95.89993 3.539307 84.28606 3.762645 11.61388       5.165674 
1 1 1 28 2  8  o 89.26894 2.650994 80.12590       4.727499      84.73083       6.696995      75.45012       6.674324      91.86739 3.644925 86.67048 3.850402 5.196907       5.301988 
1 1 1 28 2  9  o 134.9771 2.351217 182.7806       6.348436      182.9222       8.919409      182.6389       9.032760      135.0324 3.302692 134.9219 3.347404 0.1105042      4.702434 
1 1 1 28 2  10 o 90.46590 2.649556 82.18040       4.792676      79.06322       6.732417      85.36844       6.822391      88.72600 3.793937 92.20580 3.699545 -3.479805      5.299112 
1 1 1 28 2  11 o 55.44620 3.539868 31.04436       3.917030      33.36100       5.541510      28.72772       5.537968      57.53513 4.815762 53.35726 5.189517 4.177876       7.079735 
1 1 1 28 2  12 o 113.3162 2.682405 129.1508       6.051595      122.4913       9.103605      135.8102       7.977167      110.3397 4.125263 116.2926 3.429781 -5.952965      5.364811 
1 1 1 28 2  13 o 138.1553 2.352587 191.5654       6.498628      195.3201       9.216957      187.8814       9.167366      139.5000 3.303569 136.8106 3.350385 2.689377       4.705173 
1 1 1 28 2  14 o 91.97867 2.702377 85.15590       4.968372      89.90253       7.098687      80.33842       6.952746      94.57310 3.753016 89.38423 3.889246 5.188866       5.404754 
1 1 1 28 2  15 o 86.70478 3.107703 75.80434       5.404070      79.77167       8.133026      71.83701       7.112856      88.94830 4.571772 84.46127 4.210721 4.487030       6.215405 
1 1 1 28 2  16 o 141.1630 3.401366 201.1295       9.599521      201.5545       15.04043      200.6335       11.94450      141.1797 5.326697 141.1462 4.231250 0.3352356E-01  6.802733 
1 1 1 28 2  17 o 39.71018 6.272101 16.62028       5.013713      20.60178       6.072140      12.63878       7.977167      44.91851 6.759063 34.50186 10.56750 10.41665       12.54420 
1 1 1 28 2  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 2  19 o 23.42654 6.473324 3.671905       4.528424      0.3312720      5.376441      7.012964       7.289969      19.00444 8.081240 27.84863 10.11480 -8.844196      12.94665 
1 1 1 28 2  20 o 73.54436 3.423542 54.90501       5.083141      50.25048       6.062930      59.55954       8.161365      70.52244 4.298583 76.56627 5.329609 -6.043831      6.847083 
1 1 1 28 2  21 o 41.47076 5.550663 18.33473       4.446952      22.01160       5.980042      14.65078       6.582934      46.30619 6.457065 36.63532 9.030270 9.670864       11.10133 
1 1 1 28 2  22 o 62.54320 3.642129 39.85041       4.536926      40.92017       5.627233      38.78773       7.119940      63.52999 4.428800 61.55641 5.783265 1.973587       7.284258 
1 1 1 28 2  23 o 47.33286 4.760354 23.28681       4.507879      20.72930       6.082059      25.85140       6.655904      44.70512 6.802418 49.96059 6.661154 -5.255470      9.520707 
1 1 1 28 2  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 2  25 o 44.22867 4.624631 20.45300       4.079265      18.03010       5.639277      22.88299       5.895027      41.52678 6.789927 46.93056 6.280584 -5.403786      9.249263 
1 1 1 28 2  26 o 31.53386 5.834524 11.12978       3.830599      14.61536       5.447994      7.644195       5.387067      36.38760 7.720145 26.68012 8.750202 9.707483       11.66905 
1 1 1 28 2  27 o 67.49881 3.321468 47.08371       4.480249      45.97852       6.465331      48.18181       6.204620      66.63670 4.851179 68.36092 4.538134 -1.724220      6.642935 
1 1 1 28 2  28 o 18.66891 5.735768 -0.7346645E-01 4.026840      1.549384       5.724998      -1.696034      5.663363      19.98420 8.410745 17.35363 7.800996 2.630568       11.47154 
1 1 1 28 2  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 2  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 2  31 o 51.35690 4.150936 28.91900       4.229457      33.26181       6.047344      24.56911       5.913447      55.53687 5.444441 47.17694 6.267307 8.359928       8.301871 
1 1 1 28 2  32 o 22.47953 5.794952 5.367230       3.680407      9.571183       5.266631      1.166820       5.142652      27.20677 8.633698 17.75230 7.732086 9.454462       11.58990 
1 1 1 28 2  33 o 21.65966 5.858248 5.281508       3.754086      8.954830       5.459329      1.605352       5.153278      25.59632 8.805183 17.72300 7.729489 7.873325       11.71650 
1 1 1 28 3  0  o 13.60065 8.530671 1.225622       4.695619      1.225622       4.695619      1.225622       4.695619      13.60065 8.530671 13.60065 8.530671 0.000000       0.000000 
1 1 1 28 3  1  o 146.6560 2.266461 215.7236       6.647403      209.9851       9.294888      221.3912       9.507423      144.7160 3.211422 148.5960 3.199085 -3.879929      4.532922 
1 1 1 28 3  2  o 143.4144 2.260771 206.3011       6.486584      198.5082       8.976085      214.0941       9.365732      140.7056 3.189669 146.1231 3.204740 -5.417557      4.521542 
1 1 1 28 3  3  o 111.3997 2.357483 124.4750       5.253878      122.7747       7.374983      126.1753       7.481250      110.6390 3.332904 112.1605 3.335065 -1.521523      4.714966 
1 1 1 28 3  4  o 119.9730 2.339385 144.3825       5.612355      146.8620       7.991336      141.9029       7.885069      121.0039 3.302098 118.9420 3.314669 2.061905       4.678770 
1 1 1 28 3  5  o 72.93851 2.877799 53.49519       4.196160      56.62655       6.018298      50.37092       5.848978      75.07771 4.008045 70.79931 4.130674 4.278404       5.755597 
1 1 1 28 3  6  o 94.74992 2.526043 90.11507       4.787009      90.82352       6.793344      89.40662       6.745878      95.12252 3.570839 94.37731 3.573888 0.7452087      5.052085 
1 1 1 28 3  7  o 39.07609 4.769705 15.72054       3.648527      14.75705       5.099436      16.69112       5.218455      37.54740 7.050389 40.60479 6.425912 -3.057388      9.539410 
1 1 1 28 3  8  o 80.49771 2.828650 65.20590       4.548969      70.39885       6.542552      60.02004       6.322932      83.71453 3.907656 77.28090 4.090877 6.433632       5.657300 
1 1 1 28 3  9  o 28.53569 5.823759 8.430575       3.630107      5.321181       4.951370      11.54068       5.309846      24.06512 8.375175 33.00626 8.094512 -8.941137      11.64752 
1 1 1 28 3  10 o 71.18591 2.984337 50.96602       4.248586      49.31533       5.949578      52.61671       6.066473      70.03029 4.247861 72.34153 4.192939 -2.311241      5.968673 
1 1 1 28 3  11 o 54.93050 3.598186 30.84599       3.918447      23.85357       5.261672      37.83133       5.809304      48.59294 5.414029 61.26806 4.740892 -12.67512      7.196372 
1 1 1 28 3  12 o 75.10324 2.924299 56.77533       4.388858      59.36118       6.208871      54.18948       6.205329      76.82464 4.040938 73.38184 4.228110 3.442802       5.848598 
1 1 1 28 3  13 o 63.81060 3.637599 41.18938       4.672948      36.97410       5.885818      45.41176       7.261631      60.56482 4.859106 67.05638 5.414571 -6.491562      7.275198 
1 1 1 28 3  14 o 24.26207 6.192851 5.241835       3.909945      3.436699       4.619813      7.046970       6.309471      21.21574 7.995781 27.30840 9.459023 -6.092661      12.38570 
1 1 1 28 3  15 o 63.34341 3.989926 41.29565       5.043468      30.83182       6.468165      51.75949       7.743378      55.15423 5.863707 71.53259 5.412482 -16.37836      7.979851 
1 1 1 28 3  16 o 127.2130 2.870618 162.8731       7.297054      164.9276       9.783719      160.8894       10.83223      128.0493 3.820296 126.3767 4.285689 1.672516       5.741235 
1 1 1 28 3  17 o 130.4394 2.821807 171.5870       7.403321      163.6524       8.983169      179.4508       11.76030      127.5449 3.521571 133.3339 4.410094 -5.789001      5.643615 
1 1 1 28 3  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 3  19 o 108.5565 2.886829 119.0199       6.310889      112.1479       7.537927      125.8919       10.12378      105.5344 3.571313 111.5786 4.536612 -6.044212      5.773657 
1 1 1 28 3  20 o 29.39995 5.761961 7.459997       4.387442      16.42900       5.790885      -1.516795      6.592852      39.26926 7.646124 19.53065 8.621922 19.73861       11.52392 
1 1 1 28 3  21 o 70.23792 3.429961 50.18672       4.864938      45.82974       5.813555      54.54370       7.800055      67.29221 4.319634 73.18362 5.329098 -5.891411      6.859922 
1 1 1 28 3  22 o 57.39899 3.863984 33.65146       4.423573      34.19697       5.459329      33.10595       6.961956      58.01982 4.704710 56.77816 6.130840 1.241669       7.727969 
1 1 1 28 3  23 o 41.76983 5.414888 18.97942       4.242918      25.22797       5.356604      12.73796       6.580809      49.63222 5.396297 33.90744 9.389571 15.72478       10.82978 
1 1 1 28 3  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 3  25 o 16.18266 5.299037 -4.512838      4.122481      -2.468246      5.581892      -6.558138      6.067889      16.92714 7.669396 15.43818 7.314339 1.488956       10.59807 
1 1 1 28 3  26 o 36.01048 5.663200 14.44533       3.987167      12.20662       5.697370      16.68404       5.579766      32.94508 8.567638 39.07589 7.408301 -6.130810      11.32640 
1 1 1 28 3  27 o 58.17730 3.812395 35.51469       4.415071      40.31091       6.362606      30.71847       6.123149      62.24984 5.110539 54.10475 5.658606 8.145088       7.624790 
1 1 1 28 3  28 o 29.82479 6.428195 10.22296       4.192617      9.514507       6.064347      10.93141       5.790885      28.88214 9.274600 30.76743 8.903288 -1.885290      12.85639 
1 1 1 28 3  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 3  30 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 3  31 o 19.32014 5.739929 2.342142       3.760462      2.602143       5.478457      2.081431       5.153278      19.73395 8.262828 18.90632 7.969493 0.8276291      11.47986 
1 1 1 28 3  32 o 29.49105 5.944058 11.25730       3.766838      8.515590       5.258129      13.99192       5.395568      25.71657 8.644847 33.26554 8.160512 -7.548964      11.88812 
1 1 1 28 3  33 o 40.32135 5.209453 20.17671       4.082807      16.59903       5.649903      23.75439       5.895027      35.74747 8.090133 44.89524 6.565315 -9.147770      10.41891 
1 1 1 28 4  0  o 95.84474 3.510224 92.38211       6.709038      92.38211       6.709038      92.38211       6.709038      95.84474 3.510224 95.84474 3.510224 0.000000       0.000000 
1 1 1 28 4  1  o 119.0379 2.331417 142.1154       5.550720      142.6113       7.863815      141.6195       7.835476      119.2455 3.297321 118.8302 3.296922 0.4153519      4.662834 
1 1 1 28 4  2  o 70.41396 2.895938 49.92460       4.077140      45.10712       5.572681      54.74207       5.952412      67.00375 4.158484 73.82417 4.031479 -6.820419      5.791875 
1 1 1 28 4  3  o 108.3005 2.397336 117.6738       5.192243      115.8319       7.325392      119.5158       7.360813      107.4510 3.408714 109.1501 3.371877 -1.699135      4.794672 
1 1 1 28 4  4  o 17.96697 5.051932 -0.9712875     3.237624      -7.070349      4.484500      5.128483       4.670823      12.39091 5.985549 23.54303 8.140101 -11.15212      10.10386 
1 1 1 28 4  5  o 160.5540 2.274776 258.5849       7.304138      253.4841       10.29380      263.6857       10.36465      158.9671 3.237715 162.1408 3.196188 -3.173691      4.549551 
1 1 1 28 4  6  o 134.1474 2.304284 180.5844       6.181242      187.1021       8.862731      174.0666       8.621859      136.5708 3.244738 131.7239 3.272701 4.846939       4.608568 
1 1 1 28 4  7  o 155.3854 2.291557 242.2905       7.119940      233.0806       9.911241      251.5004       10.23004      152.4295 3.251090 158.3412 3.230379 -5.911713      4.583113 
1 1 1 28 4  8  o 164.5134 2.314188 271.5496       7.615856      267.5822       10.64803      275.4460       10.88890      163.3242 3.259784 165.7026 3.285677 -2.378418      4.628376 
1 1 1 28 4  9  o 25.94836 5.502550 6.171323       3.506836      11.46984       4.961997      0.8728126      4.955620      32.93783 7.668674 18.95890 7.893267 13.97893       11.00510 
1 1 1 28 4  10 o 73.12187 2.981654 53.77857       4.359813      53.07012       6.201787      54.48702       6.129525      72.63497 4.269147 73.60877 4.163583 -0.9738007     5.963308 
1 1 1 28 4  11 o 101.8302 2.696565 104.3549       5.444452      111.5812       6.908113      97.12873       8.416408      105.4293 3.276184 98.23121 4.283978 7.198067       5.393130 
1 1 1 28 4  12 o 32.69151 4.583349 9.153197       3.987875      24.33532       5.003087      -6.026799      6.210997      49.11167 5.093582 16.27135 7.621272 32.84032       9.166698 
1 1 1 28 4  13 o 121.2772 2.920168 147.9247       7.051930      150.7585       7.651280      145.1618       11.84531      122.5770 3.121010 119.9774 4.936479 2.599617       5.840336 
1 1 1 28 4  14 f 69.42455 3.485849 48.92568       4.707662      56.31483       5.793010      41.52944       7.424574      74.82462 3.871059 64.02448 5.798231 10.80014       6.971698 
1 1 1 28 4  15 o 37.40207 5.922591 14.87040       4.360521      15.15378       5.311263      14.58702       6.916615      37.94207 7.258201 36.86207 9.360922 1.079998       11.84518 
1 1 1 28 4  16 o 56.29936 4.263776 32.19205       4.822432      30.76806       5.951704      33.61604       7.587519      55.13673 5.397223 57.46199 6.602207 -2.325264      8.527553 
1 1 1 28 4  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 4  18 o 50.47944 8.186296 28.60728       8.947746      21.03393       6.422824      36.18063       16.70529      45.21487 7.102557 55.74401 14.75180 -10.52914      16.37259 
1 1 1 28 4  19 o 93.33973 3.087208 87.98971       5.761130      87.84802       6.890402      88.20225       9.238212      93.38262 3.689339 93.29684 4.950978 0.8578491E-01  6.174415 
1 1 1 28 4  20 o 42.88030 5.397101 19.41866       4.428532      22.26664       5.565597      16.56360       6.891110      46.70381 5.958397 39.05679 9.000684 7.647015       10.79420 
1 1 1 28 4  21 o 69.01066 3.376712 48.52186       4.714038      42.84008       5.668323      54.19656       7.530843      65.04424 4.357283 72.97707 5.159732 -7.932831      6.753425 
1 1 1 28 4  22 o 80.78096 3.149920 66.25441       5.042760      70.27841       6.244294      62.23040       7.920490      83.40598 3.743313 78.15593 5.067108 5.250053       6.299839 
1 1 1 28 4  23 o 108.1583 2.898845 119.1616       6.143694      134.0391       7.679617      104.2133       9.592437      115.2188 3.332624 101.0979 4.744135 14.12092       5.797689 
1 1 1 28 4  24 o 70.30373 3.495891 50.64013       4.904612      51.30608       6.073557      49.97419       7.700871      70.97779 4.278491 69.62968 5.529877 1.348114       6.991783 
1 1 1 28 4  25 o 74.31677 3.245948 56.79658       4.881233      48.50061       5.909196      65.09255       7.771716      68.96557 4.284164 79.66798 4.877566 -10.70241      6.491896 
1 1 1 28 4  26 f 50.56290 4.181856 26.68738       4.157195      29.56369       5.268756      23.81815       6.432034      53.60468 4.914455 47.52111 6.767555 6.083576       8.363711 
1 1 1 28 4  27 f 26.47611 6.254848 7.736294       3.910654      7.488335       5.870940      7.984251       5.168156      26.25827 9.121582 26.69396 8.560911 -0.4356899     12.50970 
1 1 1 28 4  28 o 61.12672 4.015640 39.65913       4.893985      44.22156       7.051221      35.08961       6.788385      64.79459 5.441211 57.45884 5.907172 7.335743       8.031280 
1 1 1 28 4  29 o 63.05117 10.26983 0.000000       0.000000      ?              ?             58.10013       12.95050      ?        ?        63.05117 10.26983 ?              ?        
1 1 1 28 4  30 o 52.64731 10.47091 0.000000       0.000000      ?              ?             36.39317       10.63386      ?        ?        52.64731 10.47091 ?              ?        
1 1 1 28 4  31 o 58.40860 3.807291 37.67547       4.388151      48.50061       6.631817      26.85741       5.747669      67.33575 4.924439 49.48145 5.807904 17.85431       7.614582 
1 1 1 28 4  32 f 16.76309 5.281489 0.1364478E-01  3.616646      -1.191616      5.164613      1.219246       5.064013      15.93113 7.264786 17.59505 7.668077 -1.663927      10.56298 
1 1 1 28 4  33 f 33.32088 6.053643 15.06877       4.072181      16.41483       5.761838      13.71563       5.755462      35.17188 8.312375 31.46988 8.802885 3.701990       12.10729 
1 1 1 28 5  0  o 129.2761 3.257049 167.6905       8.409323      167.6905       8.409323      167.6905       8.409323      129.2761 3.257049 129.2761 3.257049 0.000000       0.000000 
1 1 1 28 5  1  o 132.3123 2.272734 175.6252       6.013339      178.5298       8.536844      172.6497       8.473083      133.4219 3.199191 131.2028 3.229003 2.219177       4.545468 
1 1 1 28 5  2  o 89.93918 2.560822 81.33026       4.603519      74.67081       6.351979      87.98971       6.665823      86.24511 3.682515 93.63325 3.559538 -7.388138      5.121644 
1 1 1 28 5  3  o 54.51190 3.394956 30.03127       3.700952      26.23397       4.983958      33.83566       5.472082      51.04265 4.882150 57.98115 4.718846 -6.938496      6.789911 
1 1 1 28 5  4  o 52.61544 3.700208 28.96151       3.741333      39.87167       5.540801      18.05135       5.030007      62.96433 4.399952 42.26654 5.950342 20.69779       7.400415 
1 1 1 28 5  5  o 109.7470 2.408968 120.8619       5.286468      121.2869       7.488335      120.4368       7.467082      109.9402 3.405642 109.5539 3.407948 0.3862381      4.817936 
1 1 1 28 5  6  o 121.1751 2.359560 147.2871       5.718623      147.2163       8.111773      147.4288       8.062181      121.1300 3.348375 121.2202 3.325429 -0.9017181E-01 4.719120 
1 1 1 28 5  7  o 103.1070 2.441397 106.7637       5.034258      100.9544       6.988169      112.5730       7.247461      100.2965 3.483756 105.9175 3.421276 -5.621040      4.882795 
1 1 1 28 5  8  o 91.61859 2.864259 84.51830       5.162488      93.09056       6.310889      76.01688       8.168448      96.33149 3.275610 86.90570 4.699605 9.425789       5.728517 
1 1 1 28 5  9  o 57.76733 3.850536 33.70105       4.408695      35.45801       5.236876      31.93701       7.091603      59.36784 4.410532 56.16683 6.312981 3.201008       7.701073 
1 1 1 28 5  10 o 114.4682 2.581759 132.0554       5.825599      146.4370       7.474166      117.6030       8.940661      120.8111 3.093327 108.1253 4.134398 12.68580       5.163517 
1 1 1 28 5  11 o 89.73771 3.041700 81.11773       5.446577      83.88069       7.268716      78.28393       8.111773      91.32909 3.979409 88.14632 4.601311 3.182770       6.083400 
1 1 1 28 5  12 o 99.60178 2.755716 99.67917       5.484125      100.4585       6.694869      98.97072       8.685618      100.0401 3.346094 99.16348 4.379445 0.8765793      5.511432 
1 1 1 28 5  13 o 36.50317 5.569762 13.87857       4.032507      15.42300       4.925157      12.33415       6.386693      38.98901 6.316084 34.01734 9.175842 4.971668       11.13952 
1 1 1 28 5  14 o 47.74705 4.742631 23.63395       4.265588      27.15496       5.197202      20.11295       6.765006      51.85356 5.011423 43.64054 8.053312 8.213020       9.485262 
1 1 1 28 5  15 o 61.95849 4.506547 39.07820       5.567014      35.62095       7.899237      42.52836       7.842561      59.16785 6.675279 64.74913 6.056113 -5.581284      9.013094 
1 1 1 28 5  16 o 117.2208 2.995400 138.5023       7.009422      140.9111       9.124859      136.0936       10.64803      118.3190 3.856042 116.1226 4.584824 2.196404       5.990799 
1 1 1 28 5  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 5  18 o 51.60585 6.478225 28.72772       6.106854      37.15829       6.082767      20.29006       10.59135      60.53261 5.024372 42.67909 11.94258 17.85352       12.95645 
1 1 1 28 5  19 o 33.89081 6.107183 12.30581       4.219539      13.63061       5.255295      10.98100       6.602770      35.71454 7.586094 32.06707 9.572978 3.647469       12.21437 
1 1 1 28 5  20 o 36.00025 5.686380 13.72271       4.232999      19.88624       5.213497      7.552096       6.669365      44.12807 5.907233 27.87243 9.718245 16.25564       11.37276 
1 1 1 28 5  21 o 53.24832 4.114055 29.13862       4.444827      25.36257       5.203578      32.91467       7.204955      49.90123 5.213877 56.59541 6.365318 -6.694172      8.228109 
1 1 1 28 5  22 o 77.39937 3.454048 61.25274       5.358021      53.14097       7.066806      69.36451       8.055097      72.25005 4.890520 82.54869 4.878997 -10.29864      6.908097 
1 1 1 28 5  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 5  24 o 37.60449 5.697735 15.38049       4.252836      19.79414       5.241126      10.96683       6.699120      43.73682 5.991664 31.47217 9.693127 12.26465       11.39547 
1 1 1 28 5  25 o 24.35828 5.330649 3.198660       3.898610      12.10036       5.019381      -5.699495      5.966581      33.08162 7.719877 15.63494 7.353013 17.44667       10.66130 
1 1 1 28 5  26 o 107.4448 2.739182 117.6738       5.856062      122.2079       7.367898      113.1397       9.103605      109.7658 3.356190 105.1237 4.329949 4.642113       5.478364 
1 1 1 28 5  27 o 19.20287 5.776564 1.127855       3.930490      -0.9415324     4.785592      3.196534       6.236501      16.41264 7.282624 21.99311 8.968733 -5.580473      11.55313 
1 1 1 28 5  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 5  29 o 36.84552 6.104947 16.74780       4.469623      20.39633       6.436993      13.09927       6.203204      41.44306 8.053459 32.24798 9.177323 9.195076       12.20989 
1 1 1 28 5  30 o 78.15753 3.240031 64.51162       5.066847      65.41135       7.204955      63.61897       7.119940      78.70483 4.577199 77.61022 4.586987 1.094612       6.480062 
1 1 1 28 5  31 o 32.20684 6.058529 13.17720       4.014087      15.45133       5.762547      10.89599       5.588976      35.26597 8.298957 29.14771 8.828955 6.118254       12.11706 
1 1 1 28 5  32 o 37.36322 5.415279 17.30039       3.911362      17.50584       5.693827      17.09494       5.365105      37.38408 7.863572 37.34235 7.447497 0.4172516E-01  10.83056 
1 1 1 28 5  33 o 32.34662 6.087730 14.46659       4.045968      16.31564       5.675407      12.61044       5.768215      34.96214 8.241451 29.73110 8.962161 5.231035       12.17546 
1 1 1 28 6  0  o 100.1418 3.442510 100.8127       6.876941      100.8127       6.876941      100.8127       6.876941      100.1418 3.442510 100.1418 3.442510 0.000000       0.000000 
1 1 1 28 6  1  o 51.47205 3.612422 26.77948       3.712287      23.74730       5.100852      29.81874       5.395568      48.53422 5.254904 54.40988 4.958262 -5.875664      7.224844 
1 1 1 28 6  2  o 78.13254 2.727347 61.45819       4.250711      67.31001       6.062930      55.59929       5.959496      81.87666 3.702478 74.38841 4.005662 7.488243       5.454693 
1 1 1 28 6  3  o 26.47100 5.731543 7.141194       3.346018      5.883692       4.687826      8.402238       4.775673      24.60145 8.162575 28.34054 8.048274 -3.739092      11.46309 
1 1 1 28 6  4  o 58.81105 3.197052 34.79915       3.760462      34.62204       5.260962      34.97626       5.375024      58.66433 4.483953 58.95777 4.558368 -0.2934380     6.394103 
1 1 1 28 6  5  o 14.34947 4.782194 -5.192243      3.522423      -6.952746      4.276215      -3.431740      5.598895      11.99835 5.804332 16.70059 7.601792 -4.702237      9.564388 
1 1 1 28 6  6  o 153.2075 2.424789 235.5602       7.410406      240.1652       9.110690      230.9553       11.68946      154.7749 2.943206 151.6401 3.854341 3.134842       4.849578 
1 1 1 28 6  7  o 28.92932 5.879985 8.395153       3.771089      10.87473       4.642484      5.921240       5.943202      32.09688 7.381468 25.76175 9.154825 6.335125       11.75997 
1 1 1 28 6  8  o 207.3585 2.525976 431.6597       10.45675      436.1938       12.73088      427.1255       16.59903      208.5562 3.052145 206.1608 4.025746 2.395370       5.051953 
1 1 1 28 6  9  o 78.51210 2.998158 62.03204       4.728916      59.82166       5.717206      64.24949       7.530843      77.16653 3.704459 79.85767 4.715166 -2.691132      5.996316 
1 1 1 28 6  10 o 86.04886 2.904161 74.45828       4.993877      75.02505       6.190452      73.96236       7.835476      86.41787 3.581697 85.67984 4.572533 0.7380295      5.808322 
1 1 1 28 6  11 o 66.14981 3.505155 44.14363       4.607770      46.16980       5.679658      42.12454       7.254546      67.74461 4.191963 64.55500 5.618888 3.189613       7.010311 
1 1 1 28 6  12 o 21.56662 6.052433 2.678656       3.938284      0.9755381      4.866355      4.381774       6.194703      18.87924 7.838561 24.25399 9.224140 -5.374750      12.10487 
1 1 1 28 6  13 o 50.85428 4.413049 26.26939       4.443409      27.75006       5.307721      24.78873       7.127024      52.41805 5.062875 49.29050 7.229613 3.127548       8.826098 
1 1 1 28 6  14 o 41.56286 5.344262 18.86607       4.421447      10.54176       5.127066      27.19038       7.204955      31.47191 8.099635 51.65381 6.974272 -20.18190      10.68852 
1 1 1 28 6  15 o 52.17225 4.704476 27.77131       4.920906      25.06503       6.517048      30.48468       7.374983      49.63314 6.565218 54.71136 6.739902 -5.078217      9.408952 
1 1 1 28 6  16 o 85.32667 4.601571 74.81251       7.615856      87.63548       9.564099      61.98244       11.85240      93.01750 5.141022 77.63583 7.633330 15.38167       9.203142 
1 1 1 28 6  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 6  18 o 102.4897 3.002368 106.1261       6.184076      101.6628       7.403321      110.5893       9.911241      100.4567 3.684831 104.5227 4.741189 -4.065987      6.004736 
1 1 1 28 6  19 o 45.21928 5.173135 21.48734       4.426406      24.56911       5.368648      18.40558       7.039177      49.15599 5.460827 41.28256 8.787756 7.873432       10.34627 
1 1 1 28 6  20 o 73.26833 3.324424 54.45868       4.892568      52.20581       5.948161      56.71865       7.771716      71.86398 4.138485 74.67268 5.203855 -2.808701      6.648847 
1 1 1 28 6  21 o 55.66167 4.239675 31.83074       4.657362      34.97626       5.979333      28.68521       7.141194      58.60749 5.101169 52.71585 6.773289 5.891632       8.479349 
1 1 1 28 6  22 o 61.78271 3.730731 39.02861       4.630441      37.41334       5.652737      40.64388       7.332476      60.64945 4.660172 62.91598 5.827197 -2.266529      7.461463 
1 1 1 28 6  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 6  24 o 64.27356 3.641054 42.36542       4.690660      41.35941       5.707288      43.37850       7.445828      63.70140 4.479719 64.84572 5.741187 -1.144318      7.282109 
1 1 1 28 6  25 o 97.42816 2.845259 96.70367       5.548594      95.64099       6.734542      97.76635       8.820225      97.12348 3.467000 97.73284 4.512416 -0.6093597     5.690517 
1 1 1 28 6  26 o 24.10772 6.246404 5.744836       3.966621      4.506462       4.986084      6.982501       6.170615      22.21877 8.319921 25.99668 9.319290 -3.777910      12.49281 
1 1 1 28 6  27 o 22.61520 6.097308 4.073598       4.002044      6.072848       4.991043      2.074347       6.258463      24.13046 8.407630 21.09994 8.832915 3.030519       12.19462 
1 1 1 28 6  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 6  29 o 94.98596 3.056610 93.86986       5.776008      96.91621       7.247461      90.75267       8.997337      97.00842 3.735481 92.96350 4.839178 4.044914       6.113220 
1 1 1 28 6  30 o 14.73554 4.899539 -4.225206      3.727165      -1.871729      5.579058      -6.578683      4.943576      16.54318 7.545709 12.92791 6.251738 3.615271       9.799079 
1 1 1 28 6  31 o 32.25816 5.940547 13.15595       3.885150      12.19954       5.586143      14.10528       5.401945      30.82041 8.689074 33.69590 8.103108 -2.875490      11.88109 
1 1 1 28 6  32 o 31.22895 5.429519 12.41208       3.918447      5.037800       5.608813      19.78706       5.472082      21.34017 8.581422 41.11773 6.654163 -19.77756      10.85904 
1 1 1 28 6  33 o 17.84068 5.553805 1.846225       3.861770      3.284383       5.649903      0.4073597      5.265922      19.10861 8.209579 16.57275 7.482100 2.535858       11.10761 
1 1 1 28 7  0  o 31.59454 8.882737 12.16412       4.853603      12.16412       4.853603      12.16412       4.853603      31.59454 8.882737 31.59454 8.882737 0.000000       0.000000 
1 1 1 28 7  1  o 84.43726 2.775266 71.62447       4.699161      70.01629       5.680366      73.25391       7.488335      83.53139 3.400139 85.34312 4.387193 -1.811729      5.550532 
1 1 1 28 7  2  o 57.72293 3.470337 33.85691       4.078557      27.53752       4.741668      40.18338       6.637485      52.31581 4.531773 63.13005 5.256993 -10.81424      6.940673 
1 1 1 28 7  3  o 99.63699 2.583371 99.67917       5.133441      101.6628       6.342061      97.69550       8.076350      100.6792 3.149638 98.59478 4.095729 2.084427       5.166741 
1 1 1 28 7  4  o 43.99025 4.305960 19.56744       3.788092      19.53202       4.644610      19.59578       5.985001      44.01397 5.276291 43.96653 6.806314 0.4743195E-01  8.611919 
1 1 1 28 7  5  o 143.3065 2.434236 206.2303       7.026425      195.3910       8.274716      217.0696       11.35648      139.6022 2.963677 147.0108 3.862464 -7.408615      4.868471 
1 1 1 28 7  6  o 79.61487 2.991755 63.78901       4.716872      68.08930       5.829141      59.48870       7.417490      82.36427 3.538635 76.86546 4.824983 5.498817       5.983510 
1 1 1 28 7  7  o 85.70027 2.881761 73.82067       4.935075      74.38744       6.089851      73.25391       7.764632      86.08291 3.537201 85.31763 4.550426 0.7652740      5.763521 
1 1 1 28 7  8  o 44.03646 4.613114 19.68079       4.077848      18.90149       5.051970      20.45300       6.403696      43.22929 5.843225 44.84364 7.140028 -1.614346      9.226228 
1 1 1 28 7  9  o 46.39198 4.461014 21.85574       4.167822      20.41050       5.064722      23.30098       6.619773      44.92228 5.637205 47.86168 6.915525 -2.939404      8.922028 
1 1 1 28 7  10 o 15.57733 5.068987 -4.051636      3.701661      -2.315929      4.595018      -5.787343      5.805054      15.49761 6.993374 15.65704 7.339702 -0.1594315     10.13797 
1 1 1 28 7  11 o 163.2856 2.505919 267.7948       8.182618      268.5032       9.911241      267.0155       13.01426      163.6059 3.028999 162.9653 3.992955 0.6405945      5.011838 
1 1 1 28 7  12 o 82.86765 3.524701 69.40702       5.729249      75.02505       6.277591      63.79608       9.585353      86.40359 3.632714 79.33171 6.041312 7.071884       7.049401 
1 1 1 28 7  13 o 90.13963 3.106269 81.89703       5.567723      85.01421       6.748003      78.77983       8.855647      91.95884 3.669034 88.32042 5.013363 3.638420       6.212538 
1 1 1 28 7  14 o 121.5527 2.758852 149.1999       6.810347      131.6304       7.792970      166.6987       11.17229      114.4698 3.403943 128.6357 4.342606 -14.16597      5.517704 
1 1 1 28 7  15 o 67.29002 3.869314 45.90767       5.234750      43.52020       6.381025      48.29516       8.303054      65.63087 4.861299 68.94917 6.021142 -3.318298      7.738629 
1 1 1 28 7  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 7  17 o 63.32234 4.967607 41.21772       6.196119      43.14471       6.409364      39.29073       10.60552      65.24178 4.912009 61.40291 8.636010 3.838863       9.935215 
1 1 1 28 7  18 o 79.36687 3.366747 64.00861       5.411155      56.32192       6.419281      71.69532       8.713958      74.67326 4.298246 84.06049 5.183147 -9.387222      6.733493 
1 1 1 28 7  19 o 91.68673 3.505984 85.43929       6.528384      78.63815       6.717540      92.24043       11.20062      88.30144 3.803755 95.07202 5.890599 -6.770584      7.011969 
1 1 1 28 7  20 o 35.83146 5.953576 14.11944       4.259920      10.89599       5.149027      17.34998       6.787676      31.72562 8.088737 39.93729 8.737995 -8.211664      11.90715 
1 1 1 28 7  21 o 47.92407 4.729898 24.15821       4.573056      17.67587       5.549303      30.64054       7.268716      41.37033 6.706864 54.47781 6.671262 -13.10749      9.459797 
1 1 1 28 7  22 o 25.44198 6.281880 5.552845       4.245043      8.650196       5.153986      2.454785       6.747295      28.30085 8.459616 22.58310 9.288862 5.717751       12.56376 
1 1 1 28 7  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 7  24 o 28.01782 6.363216 8.458915       4.092017      8.111773       4.980416      8.806056       6.494378      27.32174 8.346142 28.71390 9.607496 -1.392164      12.72643 
1 1 1 28 7  25 o 96.94370 2.865494 95.78268       5.561347      94.57832       6.757921      96.98705       8.834394      96.56555 3.499137 97.32185 4.538751 -0.7563019     5.730988 
1 1 1 28 7  26 o 42.94426 5.374111 20.68679       4.305970      26.91408       5.518839      14.46659       6.611272      50.74538 5.437775 35.14314 9.271186 15.60224       10.74822 
1 1 1 28 7  27 o 77.31438 3.432783 61.85492       5.268047      64.95086       6.591435      58.75899       8.218040      79.60116 4.140289 75.02760 5.476678 4.573555       6.865566 
1 1 1 28 7  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 7  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 7  30 f 45.56003 4.561306 23.22305       4.140193      18.47642       5.477040      27.96259       6.209579      40.65925 6.735295 50.46081 6.152874 -9.801563      9.122613 
1 1 1 28 7  31 o 55.25800 4.190228 34.12612       4.626190      30.30757       6.311597      37.94468       6.764297      52.02100 6.066394 58.49501 5.781945 -6.474007      8.380455 
1 1 1 28 7  32 o 38.05511 5.541684 18.33473       4.079974      18.01593       5.939660      18.66062       5.593935      37.33988 8.177593 38.77034 7.481178 -1.430458      11.08337 
1 1 1 28 7  33 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 8  0  o 11.52836 8.015676 -4.668697      6.206746      -4.668697      6.206746      -4.668697      6.206746      11.52836 8.015676 11.52836 8.015676 0.000000       0.000000 
1 1 1 28 8  1  o 27.49016 5.171059 7.047678       3.552886      -0.8905239     4.841560      14.98375       5.201453      17.15095 7.485924 37.82937 7.135850 -20.67842      10.34212 
1 1 1 28 8  2  o 29.61945 5.908746 9.195704       3.698118      11.31397       5.377857      7.079559       5.078182      32.67958 8.227629 26.55933 8.482879 6.120251       11.81749 
1 1 1 28 8  3  o 20.37693 5.627938 2.007044       3.479207      -0.6908821     4.985375      4.705537       4.854311      17.58804 7.635989 23.16582 8.269608 -5.577780      11.25588 
1 1 1 28 8  4  o 79.40927 2.965801 63.38519       4.710496      63.22932       5.827724      63.54104       7.403321      79.35947 3.671726 79.45908 4.658575 -0.9961700E-01 5.931601 
1 1 1 28 8  5  f 80.99155 3.011636 65.97103       4.859271      67.96886       5.997753      63.96611       7.644195      82.27918 3.644757 79.70393 4.795369 2.575256       6.023273 
1 1 1 28 8  6  o 72.10368 3.217666 52.33333       4.624773      53.58729       5.730666      51.08646       7.261631      73.02541 3.923748 71.18194 5.100754 1.843475       6.435331 
1 1 1 28 8  7  o 155.3536 2.461138 242.5030       7.693786      230.5302       9.068183      254.4759       12.44041      151.6002 2.990823 159.1071 3.909447 -7.506912      4.922275 
1 1 1 28 8  8  o 103.0540 2.677659 106.8345       5.484834      111.5812       6.830893      102.0171       8.586436      105.4332 3.239440 100.6748 4.264441 4.758408       5.355318 
1 1 1 28 8  9  o 20.84490 5.559862 0.8104688      3.760462      6.356938       4.614855      -4.736708      5.938243      25.18984 8.090796 16.49996 7.628058 8.689878       11.11972 
1 1 1 28 8  10 o 69.49757 3.306663 48.68481       4.617689      46.56654       5.582600      50.79599       7.360813      68.04619 4.102067 70.94896 5.187401 -2.902771      6.613326 
1 1 1 28 8  11 o 65.37636 3.579119 43.17305       4.710496      40.84225       5.639277      45.51094       7.545012      63.67921 4.427878 67.07351 5.624435 -3.394295      7.158238 
1 1 1 28 8  12 o 116.0521 2.748854 135.5977       6.437701      126.8837       7.488335      144.3825       10.47092      112.3965 3.331213 119.7077 4.373534 -7.311218      5.497707 
1 1 1 28 8  13 o 74.53773 3.533845 56.52737       5.095185      66.57322       6.305221      46.48861       8.005506      81.35390 3.875181 67.72156 5.910603 13.63234       7.067691 
1 1 1 28 8  14 f 156.7065 2.989867 247.4622       9.372816      255.7511       13.44641      239.1733       13.05677      159.3342 4.219564 154.0789 4.237038 5.255203       5.979733 
1 1 1 28 8  15 o 95.88275 4.788458 94.08241       9.231127      98.61649       14.84206      89.61916       10.98809      97.90261 7.580015 93.86289 5.853265 4.039719       9.576917 
1 1 1 28 8  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 8  17 o 89.60128 3.413099 81.33026       6.090560      84.51830       7.792970      78.14223       9.358648      91.48244 4.259271 87.72012 5.334379 3.762314       6.826199 
1 1 1 28 8  18 o 56.77391 4.149094 32.88633       4.736000      30.96643       5.840477      34.80624       7.459997      55.21607 5.288747 58.33176 6.394456 -3.115685      8.298187 
1 1 1 28 8  19 o 31.27279 6.810766 11.00226       5.139110      3.487708       5.119273      18.51184       8.912323      21.72674 8.349585 40.81883 10.76246 -19.09209      13.62153 
1 1 1 28 8  20 o 73.54810 3.383377 54.95461       4.980416      54.31700       5.979333      55.59221       7.970083      73.27831 4.079880 73.81789 5.398476 -0.5395889     6.766754 
1 1 1 28 8  21 o 82.75788 3.173601 69.55580       5.236167      70.84518       6.353395      68.25224       8.324308      83.70868 3.794945 81.80708 5.087768 1.901596       6.347203 
1 1 1 28 8  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 8  23 o 49.58061 4.483300 26.01435       4.507879      19.05027       5.328974      32.97843       7.275800      42.85572 6.217344 56.30551 6.461002 -13.44979      8.966600 
1 1 1 28 8  24 o 47.78432 4.996804 24.44159       4.536926      27.12662       5.562055      21.76364       7.169532      51.23483 5.428002 44.33381 8.391006 6.901016       9.993608 
1 1 1 28 8  25 f 20.58352 5.787008 1.761920       3.940409      -3.924114      4.784175      7.445828       6.263422      14.44017 6.741141 26.72687 9.408234 -12.28671      11.57402 
1 1 1 28 8  26 o 28.73114 5.055701 6.976833       4.016213      17.08077       5.019381      -3.128523      6.270506      40.12222 6.255114 17.34007 7.944431 22.78215       10.11140 
1 1 1 28 8  27 o 22.27437 6.408026 4.130982       4.495126      2.740291       5.511046      5.521673       7.105771      20.30550 8.380631 24.24323 9.696195 -3.937729      12.81605 
1 1 1 28 8  28 o 24.77926 6.736865 7.955913       4.729624      5.876608       6.295302      10.03168       7.060431      22.68455 9.104115 26.87396 9.932598 -4.189407      13.47373 
1 1 1 28 8  29 o 62.16501 7.299337 0.000000       0.000000      ?              ?             44.25698       9.075267      ?        ?        62.16501 7.299337 ?              ?        
1 1 1 28 8  30 o 15.30154 4.935530 -4.753712      3.750544      1.869604       4.986084      -11.37774      5.603145      18.44084 7.809384 12.16223 6.037494 6.278610       9.871059 
1 1 1 28 8  31 o 25.77004 6.250940 8.685618       3.914196      8.260548       5.038509      9.110690       5.990668      25.36380 8.462378 26.17628 9.202456 -0.8124809     12.50188 
1 1 1 28 8  32 o 29.06839 6.645049 12.25622       4.407279      11.19354       5.987834      13.32598       6.467456      27.96427 9.225216 30.17250 9.566718 -2.208231      13.29010 
1 1 1 28 9  0  o 187.4466 3.402149 352.3131       12.74505      352.3131       12.74505      352.3131       12.74505      187.4466 3.402149 187.4466 3.402149 0.000000       0.000000 
1 1 1 28 9  1  o 50.24996 4.155931 25.65304       4.146568      21.84865       5.813555      29.45034       5.914864      46.47243 6.254843 54.02750 5.473939 -7.555065      8.311863 
1 1 1 28 9  2  o 29.50504 5.927010 9.103605       3.687491      7.587519       5.191535      10.62678       5.238293      27.32348 8.556905 31.68661 8.203485 -4.363123      11.85402 
1 1 1 28 9  3  o 37.80186 5.309064 15.02626       3.937575      18.98651       5.756879      11.07310       5.374315      43.28033 6.650688 32.32338 8.277259 10.95694       10.61813 
1 1 1 28 9  4  o 69.49742 3.255837 48.67064       4.524882      45.71639       6.266964      51.62488       6.528384      67.38160 4.650353 71.61325 4.558083 -4.231651      6.511674 
1 1 1 28 9  5  o 49.00747 4.215513 24.44159       4.104770      28.11845       5.887234      20.76472       5.721456      52.75052 5.580262 45.26441 6.320039 7.486107       8.431026 
1 1 1 28 9  6  o 57.91203 3.663371 33.86399       4.242209      34.76373       6.006254      32.96426       5.992085      58.68819 5.117090 57.13588 5.243715 1.552311       7.326743 
1 1 1 28 9  7  o 45.01217 4.559341 20.65845       4.089183      23.49935       5.927616      17.81756       5.634317      48.15102 6.155234 41.87331 6.727813 6.277710       9.118683 
1 1 1 28 9  8  o 45.11076 4.896138 21.54402       4.146568      28.38058       5.899278      14.70037       5.829141      52.99232 5.566163 37.22920 8.056457 15.76313       9.792275 
1 1 1 28 9  9  o 61.89698 3.652056 38.89400       4.489459      44.90876       6.441952      32.87216       6.255630      66.75040 4.825403 57.04355 5.483205 9.706852       7.304112 
1 1 1 28 9  10 o 125.1473 2.558161 157.6305       6.396611      171.3036       9.224042      144.0283       8.862731      130.5839 3.531845 119.7106 3.701732 10.87332       5.116322 
1 1 1 28 9  11 o 39.74227 5.556906 16.57777       4.268422      19.99251       5.146902      13.16303       6.811764      44.41974 5.793486 35.06480 9.484322 9.354939       11.11381 
1 1 1 28 9  12 o 94.20128 3.085471 89.40662       5.794427      91.17775       7.017923      87.63548       9.224042      95.23439 3.684553 93.16817 4.950211 2.066223       6.170942 
1 1 1 28 9  13 o 39.90547 6.063906 17.02410       4.762213      15.35923       5.540093      18.68187       7.750463      38.13064 7.532709 41.68031 9.504847 -3.549667      12.12781 
1 1 1 28 9  14 o 65.76181 4.423685 44.05153       5.818514      43.83191       7.658363      44.26407       8.763549      65.67921 5.830129 65.84441 6.654740 -0.1652069     8.847370 
1 1 1 28 9  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 9  16 o 67.90012 4.517485 47.29624       6.264839      42.34417       6.262005      52.25541       10.85348      64.65268 4.842804 71.14755 7.627445 -6.494873      9.034969 
1 1 1 28 9  17 o 38.98183 6.636012 16.49276       5.141234      17.91675       6.758630      15.06877       7.750463      40.80849 8.555094 37.15516 10.14677 3.653328       13.27202 
1 1 1 28 9  18 o 86.86824 3.161539 76.37110       5.524507      72.89968       6.558138      79.91336       8.891070      85.00457 3.857521 88.73190 5.010075 -3.727333      6.323079 
1 1 1 28 9  19 o 53.06948 4.359233 28.89066       4.646736      27.72172       5.590393      30.05961       7.424574      52.15526 5.359376 53.98370 6.876682 -1.828442      8.718467 
1 1 1 28 9  20 o 57.59283 4.017506 33.94901       4.607062      34.77081       5.629357      33.12720       7.297054      58.47637 4.813361 56.70930 6.433736 1.767075       8.035011 
1 1 1 28 9  21 o 79.45200 3.268549 64.25658       5.185867      64.83751       6.360480      63.67564       8.189702      79.99321 3.975637 78.91079 5.189216 1.082420       6.537098 
1 1 1 28 9  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 9  23 o 43.39438 5.297144 20.29714       4.346352      23.93150       5.367939      16.66279       6.837976      48.18504 5.570130 38.60372 9.011803 9.581322       10.59429 
1 1 1 28 9  24 o 33.61290 5.709113 12.22079       4.107604      17.30748       5.173823      7.141194       6.381025      40.66050 6.362224 26.56531 9.481455 14.09519       11.41823 
1 1 1 28 9  25 o 34.43154 5.660509 13.16303       4.018339      17.15870       5.058346      9.174451       6.245002      40.29017 6.277395 28.57292 9.421239 11.71725       11.32102 
1 1 1 28 9  26 o 22.00534 6.125492 3.440242       4.089183      5.044885       5.071806      1.836307       6.415030      22.90489 8.425200 21.10579 8.893965 1.799101       12.25098 
1 1 1 28 9  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 9  28 o 19.87308 5.971967 1.877397       4.170656      1.596142       5.117856      2.158653       6.587184      18.77638 7.929705 20.96978 8.931817 -2.193398      11.94393 
1 1 1 28 9  29 o 31.46850 6.200481 12.56085       4.223790      7.552096       5.307012      17.56960       6.573016      25.22229 8.681001 37.71472 8.855738 -12.49244      12.40096 
1 1 1 28 9  30 o 31.27594 6.250633 12.65295       4.106186      11.63278       5.197202      13.67312       6.358355      30.39882 8.312256 32.15306 9.337454 -1.754236      12.50127 
1 1 1 28 9  31 o 25.73914 6.174525 8.898154       3.991418      4.323681       4.993168      13.46767       6.227999      20.32441 8.128352 31.15387 9.296715 -10.82945      12.34905 
1 1 1 28 9  32 o 21.51664 5.993398 5.642818       4.020463      0.7545011      4.925865      10.53468       6.354813      16.54260 7.359899 26.49069 9.461246 -9.948084      11.98680 
1 1 1 28 10 0  f 32.14251 9.734967 12.92925       5.449411      12.92925       5.449411      12.92925       5.449411      32.14251 9.734967 32.14251 9.734967 0.000000       0.000000 
1 1 1 28 10 1  o 20.60328 5.391471 -0.3315554     3.752669      -8.834394      5.168864      8.168448       5.442327      12.98762 6.307164 28.21893 8.745943 -15.23131      10.78294 
1 1 1 28 10 2  o 48.60269 4.183313 23.95984       4.058012      26.25522       5.827016      21.66446       5.649903      50.95510 5.717794 46.25028 6.107966 4.704826       8.366626 
1 1 1 28 10 3  o 98.83675 2.710462 98.19141       5.360146      98.04973       7.630026      98.33311       7.523758      98.76148 3.862855 98.91200 3.803258 -0.1505203     5.420924 
1 1 1 28 10 4  o 47.54185 4.245188 22.91133       4.030382      24.03068       5.628649      21.78489       5.769631      48.73038 5.775298 46.35331 6.223537 2.377071       8.490376 
1 1 1 28 10 5  o 131.8133 2.517136 174.5625       6.636068      178.9549       9.436578      170.1701       9.330310      133.4760 3.534933 130.1505 3.584431 3.325531       5.034272 
1 1 1 28 10 6  o 81.90855 3.020384 67.51546       4.947828      67.57214       6.987460      67.45878       7.007296      81.94389 4.263564 81.87323 4.279357 0.7065582E-01  6.040768 
1 1 1 28 10 7  o 34.49167 5.879303 12.67420       4.020463      14.26113       5.768923      11.08727       5.602437      36.66364 8.084647 32.31970 8.538344 4.343933       11.75861 
1 1 1 28 10 8  o 76.57433 3.168444 59.04946       4.851478      59.53121       6.747295      58.56062       6.973290      76.89999 4.387059 76.24866 4.572730 0.6513214      6.336887 
1 1 1 28 10 9  o 123.0525 2.559449 152.3880       6.300261      141.6904       8.664365      163.0148       9.146112      118.7366 3.648567 127.3685 3.590414 -8.631943      5.118897 
1 1 1 28 10 10 o 90.80884 2.962170 83.10139       5.372190      87.84802       7.587519      78.35477       7.608772      93.42325 4.060830 88.19444 4.313635 5.228813       5.924339 
1 1 1 28 10 11 o 76.08860 3.612295 58.48270       5.498294      58.22057       7.226208      58.75191       8.288886      75.96700 4.756150 76.21020 5.438174 -0.2431946     7.224589 
1 1 1 28 10 12 o 85.63999 3.252349 74.17490       5.570556      66.89202       7.608772      81.40111       8.133026      81.42886 4.672036 89.85112 4.525835 -8.422256      6.504699 
1 1 1 28 10 13 o 106.9652 3.043946 115.4776       6.500045      120.1534       8.926493      110.7310       9.450747      109.1935 4.087466 104.7370 4.511658 4.456505       6.087893 
1 1 1 28 10 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 10 15 o 58.14631 4.443062 34.57244       5.168156      33.72939       7.148279      35.40842       7.467082      57.45269 6.221014 58.83992 6.345251 -1.387238      8.886125 
1 1 1 28 10 16 o 66.97109 4.560838 46.62321       5.815681      58.82275       7.545012      34.41659       8.848563      76.19017 4.951434 57.75201 7.660827 18.43816       9.121675 
1 1 1 28 10 17 o 101.0647 3.302150 103.6465       6.720373      113.0689       10.46383      94.22409       8.430575      105.5893 4.954967 96.54009 4.366360 9.049255       6.604301 
1 1 1 28 10 18 o 113.1471 2.766966 129.3633       6.257754      122.8455       8.806056      135.8811       8.891070      110.2723 3.992870 116.0220 3.831631 -5.749748      5.533932 
1 1 1 28 10 19 o 88.52863 3.117384 79.70082       5.501836      88.55647       7.913406      70.81684       7.651280      93.51795 4.230956 83.53929 4.579450 9.978661       6.234769 
1 1 1 28 10 20 o 80.27718 3.272394 65.94978       5.219164      76.86702       7.552096      55.05379       7.204955      87.03925 4.338327 73.51509 4.900324 13.52416       6.544789 
1 1 1 28 10 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 10 22 o 31.93678 6.547884 11.36357       4.486625      14.11236       6.629692      8.621859       6.046636      35.47506 9.249798 28.39851 9.270405 7.076557       13.09577 
1 1 1 28 10 23 o 23.74240 6.223682 4.629732       4.132399      8.055097       5.857479      1.201534       5.829141      27.42569 9.124241 20.05911 8.466704 7.366575       12.44736 
1 1 1 28 10 24 o 42.91256 5.088887 19.91458       4.231582      22.73422       5.989960      17.10203       5.978625      46.51345 6.438954 39.31167 7.882064 7.201786       10.17777 
1 1 1 28 10 25 o 24.76573 6.218542 6.085601       4.029674      3.025798       5.690285      9.146112       5.707996      21.20983 8.596057 28.32163 8.988260 -7.111799      12.43708 
1 1 1 28 10 26 o 56.41204 4.489274 35.13921       4.869897      48.33058       7.282885      21.94784       6.470290      67.89556 5.363300 44.92852 7.200648 22.96704       8.978548 
1 1 1 28 10 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 10 28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 10 29 o 20.46556 5.648731 1.491999       3.975122      9.117774       5.877316      -6.134484      5.354478      27.11786 9.139689 13.81327 6.640686 13.30459       11.29746 
1 1 1 28 10 30 o 44.12626 4.824413 22.45084       4.252128      21.82740       6.140152      23.07428       5.882984      43.27582 7.094207 44.97670 6.540036 -1.700878      9.648826 
1 1 1 28 10 31 o 29.81281 6.649820 12.65295       4.475290      13.21263       5.929741      12.08619       6.704788      30.88808 9.032475 28.73753 9.761908 2.150555       13.29964 
1 1 1 28 10 32 o 15.98710 5.300310 -1.797342      4.303136      -0.5977208     5.765380      -2.997460      6.389527      16.28580 7.524147 15.68840 7.467285 0.5973997      10.60062 
1 1 1 28 11 0  o 62.28419 5.214683 39.78665       6.407947      39.78665       6.407947      39.78665       6.407947      62.28419 5.214683 62.28419 5.214683 0.000000       0.000000 
1 1 1 28 11 1  o 35.69509 5.661776 13.53851       3.948910      14.43116       5.676116      12.65295       5.492627      36.89034 7.921313 34.49983 8.091701 2.390511       11.32355 
1 1 1 28 11 2  o 33.19688 5.890137 11.73196       3.949619      14.26113       5.577641      9.209873       5.593935      36.68727 7.831899 29.70650 8.799784 6.980776       11.78027 
1 1 1 28 11 3  f 93.16869 2.875849 87.70633       5.336059      99.60831       7.700871      75.80434       7.389152      99.54504 3.868033 86.79234 4.256800 12.75270       5.751698 
1 1 1 28 11 4  o 84.46208 2.955850 71.76617       4.992460      72.54546       7.039177      70.98687       7.082392      84.92496 4.144351 83.99921 4.215750 0.9257507      5.911700 
1 1 1 28 11 5  o 88.86439 2.947668 79.41744       5.238293      76.86702       7.374983      82.03871       7.438744      87.41169 4.218534 90.31709 4.118126 -2.905396      5.895336 
1 1 1 28 11 6  o 112.7243 2.631937 127.8047       5.932575      119.6575       8.210957      135.9519       8.565183      109.1219 3.762285 116.3267 3.681519 -7.204796      5.263874 
1 1 1 28 11 7  o 53.43571 4.162196 29.04653       4.432783      25.12878       6.108980      32.96426       6.423533      49.78675 6.135146 57.08467 5.626320 -7.297920      8.324391 
1 1 1 28 11 8  o 62.33112 3.664105 39.26948       4.562429      40.60137       6.330016      37.93759       6.573016      63.41179 4.991199 61.25046 5.365687 2.161331       7.328210 
1 1 1 28 11 9  o 62.29381 3.733267 39.39700       4.629732      44.52619       6.645278      34.26781       6.449036      66.40057 5.003932 58.18705 5.541643 8.213516       7.466534 
1 1 1 28 11 10 o 111.7362 2.786493 125.6085       6.225166      125.9627       8.756464      125.2543       8.855647      111.8985 3.912681 111.5738 3.968514 0.3246613      5.572987 
1 1 1 28 11 11 o 103.6733 3.152077 108.4640       6.555304      100.6710       8.600604      116.3278       9.897071      99.95700 4.302153 107.3897 4.608019 -7.432663      6.304154 
1 1 1 28 11 12 o 132.1848 2.808399 176.4753       7.431659      158.4807       9.975000      194.4700       11.02351      125.4268 3.976423 138.9428 3.966923 -13.51603      5.616798 
1 1 1 28 11 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 11 14 o 94.21078 3.320254 89.97337       6.260589      84.94337       8.558097      94.93254       9.139028      91.59878 4.671513 96.82279 4.719461 -5.224014      6.640508 
1 1 1 28 11 15 f 55.02856 4.575727 31.06561       5.027883      27.53044       6.884734      34.60787       7.332476      51.85248 6.638770 58.20463 6.298877 -6.352150      9.151454 
1 1 1 28 11 16 o 65.64402 3.897975 43.91692       5.095893      47.77798       7.098687      40.04878       7.311223      68.60412 5.173659 62.68392 5.831817 5.920200       7.795950 
1 1 1 28 11 17 o 73.03999 3.495849 54.23906       5.104395      58.25599       7.389152      50.22215       7.046261      75.76327 4.876474 70.31673 5.010374 5.446541       6.991698 
1 1 1 28 11 18 o 31.23840 6.554548 10.52759       4.443409      12.83715       6.459663      8.218040       6.104020      34.24047 9.224555 28.23633 9.314288 6.004141       13.10910 
1 1 1 28 11 19 o 154.7895 2.568856 242.0071       7.955913      250.8628       11.44858      233.2223       11.04476      157.6112 3.631907 151.9678 3.633916 5.643356       5.137712 
1 1 1 28 11 20 o 96.10118 3.997953 95.14508       7.537927      103.6465       8.834394      86.57281       12.21371      100.9532 4.375491 91.24918 6.692503 9.703987       7.995906 
1 1 1 28 11 21 o 25.47700 7.022779 3.970872       5.532300      -1.414070      7.877984      9.358648       7.771716      21.06903 9.346938 29.88498 10.48391 -8.815948      14.04556 
1 1 1 28 11 22 o 22.21161 6.351102 2.870647       4.405862      1.866062       6.574432      3.874523       5.866689      21.70864 9.068173 22.71457 8.894618 -1.005930      12.70220 
1 1 1 28 11 23 o 104.0737 2.883730 110.4476       6.002712      108.1097       8.487252      112.7147       8.487252      102.9676 4.121324 105.1799 4.034636 -2.212341      5.767460 
1 1 1 28 11 24 o 63.58864 3.694196 42.08912       4.697744      44.88042       6.808222      39.29782       6.475958      65.72021 5.179701 61.45706 5.268685 4.263157       7.388392 
1 1 1 28 11 25 o 37.03230 5.883952 15.58594       4.257795      14.58702       6.070724      16.59194       5.970831      35.68115 8.596089 38.38344 8.036839 -2.702290      11.76790 
1 1 1 28 11 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 11 27 o 40.45425 5.999924 19.41866       4.701995      20.67262       6.801137      18.17179       6.494378      41.84790 8.421947 39.06059 8.547934 2.787312       11.99985 
1 1 1 28 11 28 o 20.73854 6.026873 2.693534       4.208204      -0.7977167     5.982875      6.184076       5.919823      17.75286 7.997161 23.72422 9.018770 -5.971355      12.05375 
1 1 1 28 11 29 o 25.83804 6.578056 8.402238       4.396652      6.186202       5.880150      10.61969       6.538302      23.32437 8.952917 28.35172 9.639948 -5.027348      13.15611 
1 1 1 28 11 30 o 39.50527 5.953215 20.21921       4.687826      26.45359       6.414322      13.98484       6.839394      47.65256 6.730303 31.35798 9.821715 16.29457       11.90643 
1 1 1 28 11 31 o 29.62415 6.759166 12.98592       4.607062      13.77230       6.179825      12.19954       6.834435      30.91899 9.267608 28.32931 9.841582 2.589685       13.51833 
1 1 1 28 12 0  o 157.3704 3.481440 248.5249       10.94558      248.5249       10.94558      248.5249       10.94558      157.3704 3.481440 157.3704 3.481440 0.000000       0.000000 
1 1 1 28 12 1  f 79.42850 3.061591 63.49854       4.862813      62.01787       6.880484      64.97920       6.872690      78.49613 4.382689 80.36086 4.276144 -1.864723      6.123183 
1 1 1 28 12 2  o 87.85661 2.946227 77.64632       5.173823      81.04688       7.374983      74.31659       7.261631      89.76772 4.107815 85.94551 4.224555 3.822212       5.892454 
1 1 1 28 12 3  o 122.1317 2.610065 149.8376       6.374650      151.6795       8.969000      148.0664       9.061099      122.8743 3.649666 121.3892 3.732251 1.485077       5.220130 
1 1 1 28 12 4  o 60.38127 3.759167 36.88200       4.536217      33.97026       6.287509      39.80082       6.539719      57.97921 5.422210 62.78333 5.208165 -4.804111      7.518334 
1 1 1 28 12 5  o 101.5588 2.799274 103.7882       5.687451      102.3713       7.877984      105.1342       8.203872      100.8907 3.904217 102.2268 4.012584 -1.336090      5.598547 
1 1 1 28 12 6  o 41.94892 5.405293 18.58269       4.376815      23.26556       6.227291      13.89982       6.151486      47.83986 6.508476 36.05798 8.631829 11.78188       10.81059 
1 1 1 28 12 7  o 80.38765 3.218952 65.32634       5.163197      72.33293       7.438744      58.34100       7.162447      84.72664 4.389850 76.04865 4.709122 8.677986       6.437904 
1 1 1 28 12 8  o 25.90640 6.500864 6.081350       4.237250      6.810347       6.038135      5.352353       5.946744      26.79977 9.256228 25.01303 9.130562 1.786743       13.00173 
1 1 1 28 12 9  o 87.97749 3.127249 78.00054       5.501836      74.67081       7.715039      81.40111       7.842561      86.07056 4.481811 89.88441 4.362582 -3.813850      6.254498 
1 1 1 28 12 10 o 24.36754 6.421649 3.457245       4.592185      8.678535       6.403696      -1.764045      6.583642      29.28052 9.540191 19.45456 8.598550 9.825968       12.84330 
1 1 1 28 12 11 o 65.60748 4.340741 43.94526       5.710830      39.64496       7.580434      48.23848       8.536844      62.40461 6.073617 68.81036 6.203168 -6.405746      8.681481 
1 1 1 28 12 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 12 13 o 31.19164 6.966453 9.911241       5.050553      13.58811       6.983210      6.237210       7.297054      35.34533 9.622094 27.03795 10.07676 8.307381       13.93291 
1 1 1 28 12 14 o 27.19942 6.785250 6.893944       4.634692      8.281801       6.441244      5.508212       6.666531      28.66584 9.568112 25.73299 9.623392 2.932850       13.57050 
1 1 1 28 12 15 o 30.32378 7.410951 9.358648       5.595352      6.495085       6.140152      12.22079       9.358648      26.31565 9.309942 34.33191 11.53316 -8.016258      14.82190 
1 1 1 28 12 16 o 31.26598 6.417200 10.34340       4.420739      13.95650       6.159988      6.731000       6.342061      35.84489 8.673851 26.68708 9.459711 9.157810       12.83440 
1 1 1 28 12 17 o 67.95575 3.638536 47.06245       4.940034      50.31424       7.056888      43.81066       6.913781      70.33588 5.016563 65.57562 5.271609 4.760262       7.277071 
1 1 1 28 12 18 o 43.82278 5.686551 20.67262       4.774965      15.90474       7.069641      25.44050       6.421407      37.96087 9.358841 49.68468 6.462161 -11.72380      11.37310 
1 1 1 28 12 19 o 72.30905 3.570191 53.40310       5.163905      54.45868       7.297054      52.34750       7.304138      73.03972 4.995264 71.57839 5.102195 1.461327       7.140382 
1 1 1 28 12 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 12 21 o 29.57317 6.563847 9.486169       4.352019      8.161365       6.200370      10.81097       6.108272      27.89499 9.387514 31.25135 9.176652 -3.356365      13.12769 
1 1 1 28 12 22 o 121.0105 2.747471 149.0583       6.648820      155.7885       9.521592      142.3280       9.280719      123.7644 3.846661 118.2566 3.923976 5.507835       5.494942 
1 1 1 28 12 23 o 35.48944 5.803469 14.22571       4.332182      7.488335       5.972957      20.96309       6.276175      26.60027 9.204322 44.37860 7.071171 -17.77833      11.60694 
1 1 1 28 12 24 o 19.48475 5.730253 -0.4383191     4.130274      5.900695       5.984292      -6.777758      5.694535      24.49283 9.125993 14.47667 6.932493 10.01616       11.46051 
1 1 1 28 12 25 o 31.46560 6.190878 11.58319       4.580849      19.48951       6.762880      3.677573       6.181242      40.85797 8.552059 22.07324 8.953780 18.78473       12.38176 
1 1 1 28 12 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 12 27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 12 28 o 38.62159 6.034031 18.51184       4.828807      26.61653       6.614106      10.40716       7.037052      48.72651 6.786969 28.51666 9.978737 20.20985       12.06806 
1 1 1 28 12 29 o 26.34761 6.621773 8.905238       4.484500      10.88182       6.087018      6.931493       6.586476      28.59009 9.301304 24.10514 9.427474 4.484955       13.24355 
1 1 1 28 12 30 o 20.77968 6.171182 4.201828       4.354853      2.783507       5.856062      5.620856       6.448328      19.39624 8.346317 22.16312 9.092465 -2.766880      12.34236 
1 1 1 28 12 31 o 24.55396 6.427068 8.954830       4.193326      9.748297       6.072848      8.161365       5.784509      25.38135 9.230595 23.72656 8.945666 1.654789       12.85414 
1 1 1 28 13 0  o 10.84431 7.575545 -4.745210      5.724998      -4.745210      5.724998      -4.745210      5.724998      10.84431 7.575545 10.84431 7.575545 0.000000       0.000000 
1 1 1 28 13 1  o 40.41563 5.488495 17.42792       4.318722      23.14512       6.323640      11.70362       5.884400      47.70572 6.627760 33.12553 8.750264 14.58018       10.97699 
1 1 1 28 13 2  o 34.78927 6.128625 12.96467       4.296760      15.76305       6.100478      10.15920       6.052303      38.50099 8.170005 31.07755 9.137353 7.423441       12.25725 
1 1 1 28 13 3  o 134.1989 2.587879 181.0094       6.945662      180.1593       9.712874      181.9304       9.932493      133.8768 3.627541 134.5209 3.691804 -0.6440430     5.175758 
1 1 1 28 13 4  o 40.53466 5.624541 17.32873       4.455453      13.48892       6.251379      21.16854       6.351271      35.49549 8.831039 45.57383 6.968112 -10.07834      11.24908 
1 1 1 28 13 5  o 42.73697 5.391568 19.31948       4.405862      24.44159       6.111814      14.19029       6.348436      49.06525 6.228251 36.40869 8.802551 12.65656       10.78314 
1 1 1 28 13 6  o 179.0408 2.563655 322.2039       9.181536      321.9205       12.92925      322.4872       13.03551      178.9654 3.612219 179.1161 3.638844 -0.1507568     5.127310 
1 1 1 28 13 7  o 63.12435 3.929201 40.34633       4.959163      39.10654       7.006588      41.57903       7.019340      62.14583 5.637215 64.10287 5.475060 -1.957035      7.858401 
1 1 1 28 13 8  f 32.08790 6.464915 10.84640       4.539759      6.444077       6.198245      15.25297       6.635359      26.46743 9.354865 37.70836 8.925637 -11.24092      12.92983 
1 1 1 28 13 9  o 53.57469 4.776760 29.88958       5.008754      21.43775       6.813181      38.34849       7.346645      45.72382 7.450363 61.42557 5.980120 -15.70175      9.553520 
1 1 1 28 13 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 13 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 13 12 o 29.24753 6.501692 7.516674       4.949244      15.64262       7.127024      -0.6097645     6.869148      37.89617 9.429852 20.59889 8.953541 17.29728       13.00338 
1 1 1 28 13 13 o 138.5920 2.732333 194.4700       7.580434      169.5325       10.10252      219.3367       11.30689      129.6712 3.895438 147.5128 3.832512 -17.84155      5.464667 
1 1 1 28 13 14 o 38.59097 6.167309 16.23063       4.697035      20.39633       6.660155      12.05785       6.624732      43.78093 7.894692 33.40102 9.477165 10.37991       12.33462 
1 1 1 28 13 15 o 47.73807 5.616531 24.02360       5.250336      22.95384       6.510672      25.08628       8.239295      47.22029 6.893935 48.25585 8.868785 -1.035561      11.23306 
1 1 1 28 13 16 o 76.98112 3.458387 60.70015       5.301345      49.78291       7.162447      71.62447       7.814223      69.94141 5.120320 84.02084 4.650170 -14.07942      6.916773 
1 1 1 28 13 17 o 58.53977 4.149386 35.25256       4.845102      39.53869       7.025717      30.96643       6.675033      62.16341 5.651007 54.91613 6.077479 7.247272       8.298773 
1 1 1 28 13 18 o 70.14386 4.492063 50.81017       6.296011      51.10771       10.30797      50.51261       7.233293      69.96605 7.366411 70.32166 5.143004 -0.3556137     8.984125 
1 1 1 28 13 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 13 20 o 57.55785 4.224106 34.57244       4.806137      41.28857       6.919449      27.85633       6.672907      63.35721 5.460664 51.75848 6.446197 11.59873       8.448213 
1 1 1 28 13 21 o 27.00023 5.825662 6.599228       4.177740      14.65078       6.079933      -1.451618      5.730666      36.17386 8.532055 17.82660 7.934568 18.34725       11.65132 
1 1 1 28 13 22 o 28.90540 6.509162 9.110690       4.344935      11.75322       6.136609      6.465331       6.151486      32.19345 9.117113 25.61734 9.292741 6.576103       13.01832 
1 1 1 28 13 23 o 43.15108 5.433368 20.99851       4.514963      14.77830       6.157155      27.21872       6.604896      35.77105 8.681791 50.53111 6.535476 -14.76006      10.86674 
1 1 1 28 13 24 o 23.98280 6.537475 4.291801       4.694201      7.962997       6.315848      0.6203912      6.947078      27.13616 9.457591 20.82944 9.028193 6.306719       13.07495 
1 1 1 28 13 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 13 26 o 32.13716 6.958315 12.95050       4.913113      10.93850       6.384568      14.96250       7.467082      29.89329 9.507975 34.38103 10.16224 -4.487743      13.91663 
1 1 1 28 13 27 o 46.20322 5.593129 25.07919       4.952786      28.85524       6.697703      21.29606       7.297054      50.95594 6.572053 41.45050 9.052097 9.505447       11.18626 
1 1 1 28 13 28 o 21.26082 6.172997 3.576265       4.364771      6.366147       5.992085      0.7870899      6.347728      23.52673 9.035665 18.99491 8.413104 4.531816       12.34599 
1 1 1 28 13 29 o 38.68377 5.897018 19.34782       4.458995      23.52060       6.578683      15.17504       6.019715      43.55346 7.838027 33.81408 8.812755 9.739380       11.79404 
1 1 1 28 13 30 o 18.10574 5.661292 1.563553       4.045968      2.891901       5.964456      0.2355602      5.469248      19.31495 8.368475 16.89653 7.626895 2.418421       11.32258 
1 1 1 28 14 0  o 27.12654 11.27552 10.54176       6.067182      10.54176       6.067182      10.54176       6.067182      27.12654 11.27552 27.12654 11.27552 0.000000       0.000000 
1 1 1 28 14 1  o 51.79642 4.613856 27.28956       4.777090      28.54352       6.799012      26.03560       6.712580      53.00138 6.413995 50.59147 6.634104 2.409912       9.227712 
1 1 1 28 14 2  o 118.0163 2.770751 140.3443       6.541135      129.8592       8.983169      150.7585       9.507423      113.6091 3.953542 122.4234 3.883009 -8.814278      5.541503 
1 1 1 28 14 3  f 48.88550 5.137785 25.73805       4.652403      35.81932       6.764297      15.65678       6.388818      59.47338 5.686828 38.29762 8.558467 21.17576       10.27557 
1 1 1 28 14 4  o 27.08517 6.536842 6.796178       4.389567      3.749127       6.121732      9.840395       6.292469      23.45414 9.105976 30.71620 9.380960 -7.262064      13.07368 
1 1 1 28 14 5  o 22.53385 6.392356 2.652443       4.401611      3.551468       6.159988      1.754127       6.288927      23.29259 9.115619 21.77511 8.964061 1.517475       12.78471 
1 1 1 28 14 6  o 58.10632 4.469174 34.43076       5.179491      37.95884       7.389152      30.89558       7.254546      61.13621 6.043188 55.07643 6.585890 6.059780       8.938349 
1 1 1 28 14 7  o 91.46657 3.332779 84.58914       6.084892      90.54014       8.579351      78.70899       8.628942      94.70301 4.529609 88.23013 4.890020 6.472885       6.665557 
1 1 1 28 14 8  o 37.59863 16.22531 3.633649       22.25247      3.633649       22.25247      ?              ?             37.59863 16.22531 ?        ?        ?              ?        
1 1 1 28 14 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 14 10 o 85.10960 3.572652 73.60814       6.073557      78.63815       8.671450      68.51437       8.508506      88.07162 4.922954 82.14758 5.178793 5.924049       7.145304 
1 1 1 28 14 11 o 75.50243 3.668917 57.87342       5.542218      55.32300       7.644195      60.42385       8.026759      73.84058 5.176147 77.16426 5.201086 -3.323677      7.337833 
1 1 1 28 14 12 o 39.14339 6.588529 16.60611       5.116439      15.04752       7.778800      18.16470       6.650945      37.12998 10.17658 41.15681 8.370903 -4.026829      13.17706 
1 1 1 28 14 13 o 81.28635 3.445272 67.02662       5.594644      70.46970       7.920490      63.57646       7.906322      83.40540 4.748188 79.16730 4.993427 4.238106       6.890544 
1 1 1 28 14 14 o 41.84645 6.268574 18.97234       5.097310      19.34073       6.656613      18.61103       7.722124      42.47433 8.125987 41.21858 9.547168 1.255753       12.53715 
1 1 1 28 14 15 o 56.81294 4.503904 33.76481       4.988209      42.93218       7.169532      24.60453       6.937868      64.85344 5.527488 48.77244 7.112488 16.08100       9.007809 
1 1 1 28 14 16 o 52.28703 4.515002 28.14679       4.721831      28.01218       6.509964      28.28848       6.841519      52.19341 6.236385 52.38064 6.530580 -0.1872292     9.030004 
1 1 1 28 14 17 o 66.63266 3.771179 45.47552       5.023631      48.61396       7.268716      42.32999       6.939286      68.95491 5.270629 64.31040 5.395150 4.644508       7.542359 
1 1 1 28 14 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 14 19 o 50.83518 4.666324 27.12662       4.706245      31.79531       6.801137      22.45084       6.506421      55.38389 6.139996 46.28647 7.028427 9.097420       9.332648 
1 1 1 28 14 20 o 21.04564 6.134552 1.863937       4.242918      -0.7396236E-01 6.164948      3.801552       5.831975      19.54349 8.488298 22.54780 8.858875 -3.004307      12.26910 
1 1 1 28 14 21 o 84.92487 3.479126 74.17490       5.915572      71.97870       7.835476      76.37110       8.869816      83.77997 4.676224 86.06977 5.152689 -2.289803      6.958252 
1 1 1 28 14 22 o 20.05326 6.154046 0.5375024      4.581558      -0.1158319     5.797261      1.190907       7.098687      18.70646 8.177955 21.40007 9.198380 -2.693604      12.30809 
1 1 1 28 14 23 o 96.38570 3.512975 96.42028       6.745169      104.7800       9.415324      88.06055       9.656199      100.7659 4.671881 92.00552 5.247619 8.760368       7.025950 
1 1 1 28 14 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 14 25 o 65.98129 4.607984 48.69189       5.912030      57.43419       7.899237      39.94251       8.798972      72.98841 5.411296 58.97416 7.460023 14.01426       9.215968 
1 1 1 28 14 26 o 46.96385 9.541405 27.96259       8.650196      27.96259       8.650196      ?              ?             46.96385 9.541405 ?        ?        ?              ?        
1 1 1 28 14 27 o 42.38010 5.777098 21.49443       4.781341      20.79306       7.219123      22.19580       6.272632      40.63835 9.108866 44.12185 7.108306 -3.483505      11.55420 
1 1 1 28 14 28 o 34.44233 6.414325 15.65678       4.594310      13.03551       6.918740      18.28514       6.047344      30.59353 9.914650 38.29113 8.140884 -7.697598      12.82865 
1 1 1 28 14 29 o 26.00182 6.635647 9.351563       4.527007      7.729208       6.765715      10.98100       6.016172      24.10723 9.519452 27.89640 9.247016 -3.789177      13.27129 
1 1 1 28 14 30 o 33.73024 6.491949 17.51293       4.760796      24.59744       7.339560      10.43549       6.067182      41.39992 9.110521 26.06056 9.250946 15.33936       12.98390 
1 1 1 28 15 0  o 77.23277 5.160849 60.77808       7.899237      60.77808       7.899237      60.77808       7.899237      77.23277 5.160849 77.23277 5.160849 0.000000       0.000000 
1 1 1 28 15 1  o 72.09196 3.793978 52.68048       5.465705      49.05320       7.672533      56.30066       7.778800      69.58482 5.513080 74.59911 5.213736 -5.014297      7.587957 
1 1 1 28 15 2  o 33.27335 6.834242 11.78864       4.816764      12.17829       6.885443      11.39899       6.738085      33.76800 9.687814 32.77871 9.642289 0.9892845      13.66848 
1 1 1 28 15 3  o 90.90402 3.373199 83.73900       6.113231      92.31127       8.735210      75.09589       8.558097      95.62900 4.567239 86.17905 4.965301 9.449944       6.746398 
1 1 1 28 15 4  o 34.50208 6.876689 12.78047       4.980416      10.95975       7.098687      14.59411       6.988169      32.26601 9.986212 36.73813 9.456796 -4.472118      13.75338 
1 1 1 28 15 5  o 36.73052 10.77602 6.514214       13.36140      -3.825640      16.78322      16.85407       20.78598      30.31060 13.53241 43.15045 16.77390 -12.83985      21.55203 
1 1 1 28 15 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 15 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 15 8  o 41.41679 6.220752 18.75272       5.172406      11.04476       7.011548      26.46067       7.608772      32.20167 9.916333 50.63191 7.513811 -18.43024      12.44150 
1 1 1 28 15 9  o 76.24524 3.705010 59.02112       5.647778      60.37426       7.856731      57.66089       8.111773      77.15327 5.091638 75.33720 5.383644 1.816063       7.410020 
1 1 1 28 15 10 o 89.80289 3.245924 81.54280       5.829850      79.84251       8.260548      83.31393       8.225125      88.83428 4.649415 90.77149 4.530676 -1.937210      6.491848 
1 1 1 28 15 11 o 85.39708 3.309828 73.82067       5.653445      74.10406       7.800055      73.53729       8.182618      85.58804 4.556743 85.20613 4.801661 0.3819046      6.619657 
1 1 1 28 15 12 o 45.34275 5.528203 21.94784       4.855020      16.59903       6.547511      27.30373       7.169532      39.17333 8.591593 51.51216 6.959067 -12.33883      11.05641 
1 1 1 28 15 13 o 43.59112 5.579275 20.31131       4.686408      19.95709       6.490835      20.66554       6.762172      43.23358 7.791143 43.94865 7.988198 -0.7150688     11.15855 
1 1 1 28 15 14 o 84.67152 4.375472 73.82067       7.183701      82.60548       8.033843      64.97211       11.91616      90.27263 4.449767 79.07040 7.535157 11.20222       8.750944 
1 1 1 28 15 15 o 64.00855 4.077761 42.91093       5.069681      55.68431       7.339560      30.13046       6.998086      73.95396 4.962250 54.06314 6.472143 19.89083       8.155522 
1 1 1 28 15 16 o 88.17628 3.234988 79.27575       5.703037      72.19124       7.814223      86.28942       8.310139      84.22559 4.638865 92.12697 4.510156 -7.901382      6.469975 
1 1 1 28 15 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 15 18 o 77.08313 3.517847 60.90560       5.421073      64.83751       7.807138      56.98078       7.523758      79.59704 4.904164 74.56922 5.044815 5.027817       7.035693 
1 1 1 28 15 19 o 27.32530 6.863297 7.488335       4.816055      4.230875       6.268381      10.74721       7.311223      23.46183 9.192684 31.18876 10.19382 -7.726927      13.72659 
1 1 1 28 15 20 o 54.39857 4.851706 31.20730       5.277257      31.01602       6.971166      31.39858       7.927575      54.41258 6.405839 54.38456 7.288443 0.2802277E-01  9.703411 
1 1 1 28 15 21 f 64.95131 4.381413 44.49786       5.645652      47.16872       7.254546      41.82699       8.650196      67.30976 5.388926 62.59286 6.909890 4.716896       8.762825 
1 1 1 28 15 22 o 34.87799 7.053097 14.52326       5.198619      13.04260       6.557429      16.00393       8.069265      33.34762 9.418299 36.40836 10.50144 -3.060734      14.10619 
1 1 1 28 15 23 o 46.25560 6.842867 26.65196       6.131650      28.81982       8.650196      24.48409       8.692703      48.61591 9.230352 43.89529 10.10445 4.720615       13.68573 
1 1 1 28 15 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 15 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 15 26 o 23.22638 6.428590 5.189409       4.534091      9.436578       6.914490      0.9386986      5.866689      27.55780 9.866418 18.89496 8.243839 8.662834       12.85718 
1 1 1 28 15 27 o 31.82832 6.677457 13.55268       4.563846      13.77939       6.720373      13.32598       6.175574      31.87866 9.686489 31.77797 9.193784 0.1006889      13.35491 
1 1 1 28 15 28 o 21.86569 6.361163 5.232625       4.491584      5.610230       6.800429      4.855729       5.870231      22.41796 9.284432 21.31342 8.698097 1.104546       12.72233 
1 1 1 28 15 29 o 32.50278 6.548081 15.33090       4.464664      15.69221       6.404404      14.96250       6.220915      32.83964 9.318348 32.16592 9.202057 0.6737251      13.09616 
1 1 1 28 16 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 16 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 16 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 16 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 16 4  o 48.15723 13.27587 0.000000       0.000000      ?              ?             26.41108       13.19137      ?        ?        48.15723 13.27587 ?              ?        
1 1 1 28 16 5  f 28.55418 6.973194 7.452912       5.103686      11.97283       7.332476      2.934407       7.098687      33.39759 10.11203 23.71076 9.604618 9.686831       13.94639 
1 1 1 28 16 6  o 86.71909 3.426289 76.30025       5.932575      70.73891       8.324308      81.82619       8.458915      83.53183 4.982717 89.90636 4.704292 -6.374527      6.852578 
1 1 1 28 16 7  o 60.54646 4.259536 37.45584       5.146194      34.19697       7.204955      40.70764       7.353730      57.87034 6.225084 63.22256 5.815748 -5.352222      8.519072 
1 1 1 28 16 8  o 39.62517 6.101301 16.98867       4.711913      19.80831       6.701954      14.16904       6.624732      43.11199 8.071417 36.13834 9.151814 6.973644       12.20260 
1 1 1 28 16 9  f 43.92112 5.855093 20.50968       4.978999      24.20071       6.744461      16.81865       7.325392      48.54495 6.946615 39.29729 9.427248 9.247662       11.71019 
1 1 1 28 16 10 o 97.63026 3.146760 96.63282       6.123857      106.4095       8.713958      86.92703       8.607689      102.6122 4.246065 92.64836 4.645354 9.963791       6.293519 
1 1 1 28 16 11 o 116.2708 3.136365 137.0854       7.325392      147.9956       11.19354      126.1753       9.450747      120.8409 4.631521 111.7008 4.230385 9.140083       6.272730 
1 1 1 28 16 12 o 64.65754 4.005514 43.29349       5.119981      33.12012       6.922991      53.46686       7.545012      56.84868 6.088964 72.46640 5.205869 -15.61772      8.011027 
1 1 1 28 16 13 o 78.29404 3.519670 62.41460       5.501128      65.64514       7.608772      59.18407       7.941744      80.38641 4.732624 76.20167 5.211004 4.184738       7.039339 
1 1 1 28 16 14 o 80.31366 3.828922 65.99937       6.096227      70.44845       7.792970      61.54321       9.379901      83.24619 4.680676 77.38112 6.060846 5.865074       7.657845 
1 1 1 28 16 15 o 36.55731 6.347140 14.82081       4.613438      15.91183       6.565931      13.72271       6.483750      37.95856 8.810938 35.15606 9.138497 2.802498       12.69428 
1 1 1 28 16 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 16 17 o 24.36177 6.594809 4.006295       4.839434      -1.562845      6.246420      9.578268       7.396237      18.66792 8.297213 30.05563 10.25292 -11.38771      13.18962 
1 1 1 28 16 18 o 24.38097 6.690238 4.468914       4.782050      6.441952       6.273340      2.495167       7.219123      25.80638 9.382066 22.95555 9.540124 2.850822       13.38048 
1 1 1 28 16 19 o 45.76091 6.404016 23.42141       5.724290      27.57294       7.977167      19.26989       8.218040      50.72319 7.863432 40.79863 10.11000 9.924568       12.80803 
1 1 1 28 16 20 o 100.0847 3.551163 103.7173       7.105771      100.6710       9.889987      106.7637       10.21588      98.61989 5.014195 101.5495 5.030000 -2.929573      7.102327 
1 1 1 28 16 21 f 42.73427 6.518220 21.43775       5.594644      13.92108       7.686701      28.96151       8.133026      34.07337 10.36075 51.39517 7.912248 -17.32180      13.03644 
1 1 1 28 16 22 o 19.23748 6.124414 -2.180614      5.082433      1.991458       7.452912      -6.352687      6.910948      22.01221 9.442033 16.46275 7.802681 5.549459       12.24883 
1 1 1 28 16 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 16 24 o 55.06062 15.87747 50.24340       18.44808      50.24340       18.44808      ?              ?             55.06062 15.87747 ?        ?        ?              ?        
1 1 1 28 16 25 o 74.88704 3.826541 60.25382       5.703037      58.06470       8.692703      62.43586       7.382068      72.98076 5.955476 76.79333 4.806451 -3.812569      7.653082 
1 1 1 28 16 26 o 26.23402 6.331010 8.437660       4.218122      4.768589       6.026091      12.10744       5.904237      21.94430 8.865662 30.52374 9.040288 -8.579432      12.66202 
1 1 1 28 16 27 o 27.41643 6.317467 9.889987       4.226623      6.057971       6.088435      13.72271       5.863855      22.74124 9.014480 32.09162 8.853288 -9.350376      12.63493 
1 1 1 28 16 28 o 37.00661 6.253598 18.64645       4.573056      18.94400       6.619773      18.35599       6.311597      37.11632 8.998135 36.89689 8.686975 0.2194290      12.50720 
1 1 1 28 17 0  o 62.21485 6.264157 40.27548       7.651280      40.27548       7.651280      40.27548       7.651280      62.21485 6.264157 62.21485 6.264157 0.000000       0.000000 
1 1 1 28 17 1  o 67.05107 4.075680 45.78724       5.465705      44.83791       7.672533      46.72948       7.785885      66.35477 5.781447 67.74738 5.746264 -1.392601      8.151361 
1 1 1 28 17 2  o 59.62647 4.580598 36.71906       5.377149      29.44325       7.615856      43.98777       7.587519      53.52582 7.114190 65.72712 5.771985 -12.20130      9.161196 
1 1 1 28 17 3  o 26.74174 6.952919 6.245711       4.896110      6.910239       7.032801      5.580475       6.812472      27.53571 9.941307 25.94777 9.723309 1.587942       13.90584 
1 1 1 28 17 4  o 42.08667 6.093616 19.03610       4.952786      18.80939       6.887568      19.26280       7.119940      41.85866 8.522985 42.31468 8.711335 -0.4560204     12.18723 
1 1 1 28 17 5  o 121.3593 2.901256 148.6332       7.042011      148.4207       9.776634      148.8457       10.13795      121.2920 4.030207 121.4267 4.174514 -0.1347046     5.802511 
1 1 1 28 17 6  o 49.39212 4.822944 25.06503       4.756546      23.09553       6.666531      27.02743       6.785551      47.41320 7.030249 51.37105 6.604450 -3.957855      9.645888 
1 1 1 28 17 7  o 42.76971 5.762421 19.32656       4.822432      20.72930       6.684951      17.92383       6.952037      44.82279 7.457089 40.71664 8.787137 4.106148       11.52484 
1 1 1 28 17 8  o 46.42129 5.373152 22.70588       4.852895      19.39032       6.714706      26.02852       7.007296      42.54987 8.182343 50.29271 6.966513 -7.742840      10.74630 
1 1 1 28 17 9  o 115.4974 2.901146 134.8892       6.696995      139.4942       9.443663      130.2134       9.500339      117.5099 4.018240 113.4849 4.185730 4.025063       5.802291 
1 1 1 28 17 10 o 83.91660 3.470224 72.19124       5.766089      86.00604       8.345562      58.39060       7.962997      92.11274 4.530080 75.72046 5.258155 16.39228       6.940448 
1 1 1 28 17 11 o 60.17909 4.653829 37.31416       5.602437      37.42042       8.480167      37.20080       7.318307      60.13719 7.050685 60.22100 6.076209 -0.8380508E-01 9.307657 
1 1 1 28 17 12 o 24.42799 6.475534 4.225915       4.541884      8.239295       6.327891      0.2131023      6.516339      28.31752 9.483551 20.53845 8.820002 7.779066       12.95107 
1 1 1 28 17 13 o 41.24940 6.410477 18.73146       5.155404      19.51076       6.881192      17.94508       7.679617      42.35211 8.422848 40.14670 9.666049 2.205410       12.82095 
1 1 1 28 17 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 17 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 17 16 f 75.27164 4.144427 58.70232       6.227999      52.07829       8.543928      65.31925       9.068183      70.94714 6.021334 79.59613 5.696372 -8.648987      8.288855 
1 1 1 28 17 17 o 27.75736 7.195226 7.615856       5.229083      7.545012       7.261631      7.686701       7.523758      27.60512 10.08836 27.90960 10.26206 -0.3044777     14.39045 
1 1 1 28 17 18 o 68.58325 4.191904 48.98236       5.752628      50.96602       8.409323      46.99869       7.856731      69.93405 6.012323 67.23244 5.842961 2.701607       8.383807 
1 1 1 28 17 19 o 36.01592 7.385733 15.87640       5.784509      21.05519       9.571183      10.69762       6.495794      41.51670 11.24822 30.51514 9.574636 11.00156       14.77147 
1 1 1 28 17 20 o 92.09920 3.703511 88.55647       6.812472      96.98705       9.840395      80.19674       9.422408      96.57281 5.094806 87.62558 5.376517 8.947235       7.407023 
1 1 1 28 17 21 o 46.59011 6.208325 26.90700       6.069307      6.336393       8.827310      47.47335       8.331393      26.54638 10.72802 66.63384 6.251623 -40.08746      12.41665 
1 1 1 28 17 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 17 23 o 17.94075 5.656077 -6.183367      4.771423      4.988209       6.825224      -17.35707      6.669365      23.55067 9.467992 12.33084 6.190474 11.21984       11.31215 
1 1 1 28 17 24 o 43.74168 5.603837 22.50751       4.767172      20.33965       6.901738      24.66829       6.577975      40.73325 8.724520 46.75011 7.035250 -6.016865      11.20767 
1 1 1 28 17 25 o 17.41989 5.582644 -0.9975002     4.221664      -1.504751      6.043802      -0.4907445     5.895027      17.19484 7.845846 17.64494 7.943950 -0.4501057     11.16529 
1 1 1 28 17 26 o 22.02815 6.270749 4.959163       4.341393      3.323347       6.500045      6.594978       5.756879      20.70511 8.847444 23.35119 8.888865 -2.646078      12.54150 
1 1 1 28 17 27 o 31.32285 6.400096 14.15487       4.665863      21.99743       7.226208      6.308055       5.905654      40.09140 9.201893 22.55431 8.897757 17.53709       12.80019 
1 1 1 28 17 28 o 54.07826 4.980067 36.49235       5.315514      33.58061       7.934660      39.39700       7.074599      50.63680 7.834875 57.51973 6.149716 -6.882923      9.960134 
1 1 1 28 18 0  o 14.68537 9.544032 0.2095600      6.510672      0.2095600      6.510672      0.2095600      6.510672      14.68537 9.544032 14.68537 9.544032 0.000000       0.000000 
1 1 1 28 18 1  o 84.37195 3.446359 72.19124       5.812847      75.23758       8.203872      69.10947       8.232210      86.18970 4.759195 82.55419 4.985943 3.635506       6.892718 
1 1 1 28 18 2  o 30.59719 6.642480 9.493254       4.757254      4.558179       6.726750      14.42408       6.728167      24.78055 9.560925 36.41384 9.223823 -11.63329      13.28496 
1 1 1 28 18 3  o 44.02363 5.715633 20.50968       4.910988      23.05302       6.983210      17.96634       6.908113      47.27402 7.385884 40.77323 8.724825 6.500797       11.43127 
1 1 1 28 18 4  o 103.9733 3.077006 109.4558       6.398736      102.5838       8.820225      116.2569       9.273635      100.7148 4.378811 107.2319 4.324104 -6.517029      6.154012 
1 1 1 28 18 5  o 36.08339 6.554619 14.20446       4.769298      15.44425       6.689201      12.96467       6.799012      37.66612 8.991314 34.50066 9.539832 3.165455       13.10924 
1 1 1 28 18 6  o 31.98816 6.692330 11.02351       4.588642      10.79680       6.162822      11.25730       6.799720      31.64138 9.194021 32.33494 9.727236 -0.6935654     13.38466 
1 1 1 28 18 7  o 35.86056 6.386760 14.04151       4.592185      15.16087       6.325057      12.91508       6.659447      37.34499 8.634298 34.37613 9.413379 2.968868       12.77352 
1 1 1 28 18 8  o 33.04973 6.667014 11.48400       4.947119      16.66987       6.642444      6.293886       7.332476      39.12413 8.715159 26.97533 10.09169 12.14880       13.33403 
1 1 1 28 18 9  o 62.12335 4.357699 40.46677       5.264505      52.31208       7.615856      28.62854       7.268716      71.61759 5.317029 52.62911 6.905603 18.98848       8.715398 
1 1 1 28 18 10 o 43.29338 5.901167 20.48843       4.985375      13.89982       6.740210      27.08411       7.346645      35.50660 9.358441 51.08017 7.191289 -15.57357      11.80233 
1 1 1 28 18 11 o 83.06982 3.827652 71.05771       6.412197      60.19715       8.019674      81.82619       10.00334      76.77116 5.223104 89.36848 5.596682 -12.59733      7.655303 
1 1 1 28 18 12 o 74.34356 4.485279 58.27724       6.522716      74.10406       9.493254      42.41501       8.947746      84.92550 5.589166 63.76162 7.016561 21.16388       8.970557 
1 1 1 28 18 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 18 14 f 54.90167 5.514548 32.01493       6.017590      35.27382       8.402238      28.75606       8.621859      57.91146 7.254382 51.89188 8.307522 6.019588       11.02910 
1 1 1 28 18 15 o 32.13600 6.850238 10.83931       5.314805      3.542259       7.481250      18.13637       7.545012      24.18614 9.836445 40.08587 9.536634 -15.89973      13.70048 
1 1 1 28 18 16 o 34.68611 6.974443 13.87857       5.129191      17.10911       7.672533      10.64095       6.813181      38.53320 9.903265 30.83901 9.823277 7.694193       13.94889 
1 1 1 28 18 17 o 80.34156 3.817769 66.89910       6.104020      61.30942       8.841478      72.47462       8.416408      76.79929 5.756224 83.88383 5.016704 -7.084549      7.635538 
1 1 1 28 18 18 o 78.70421 3.644178 64.44077       5.721456      60.28216       8.154280      68.59231       8.033843      76.04163 5.361721 81.36679 4.936808 -5.325157      7.288355 
1 1 1 28 18 19 o 28.58814 6.723512 7.530843       5.239709      0.4314471      7.984251      14.62953       6.789802      21.88357 9.581868 35.29272 9.434524 -13.40915      13.44702 
1 1 1 28 18 20 o 51.16042 5.515942 29.30157       5.637859      26.90700       7.785885      31.68905       8.161365      48.96511 7.950442 53.35573 7.648067 -4.390621      11.03188 
1 1 1 28 18 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 18 22 o 16.05983 5.488229 -8.685618      5.296385      -9.181536      6.700537      -8.189702      8.203872      14.83519 7.197086 17.28448 8.287617 -2.449290      10.97646 
1 1 1 28 18 23 o 30.52203 6.859017 12.00117       4.827391      15.18921       6.928658      8.820225       6.723916      34.24616 9.684167 26.79790 9.716036 7.448261       13.71803 
1 1 1 28 18 24 o 26.34324 6.787071 8.749379       4.674365      10.63386       7.037760      6.864897       6.153612      28.40055 9.975312 24.28593 9.206004 4.114622       13.57414 
1 1 1 28 18 25 f 20.29028 6.162457 2.528464       4.579432      0.6610563      6.765006      4.395943       6.174866      19.11994 8.562415 21.46061 8.865017 -2.340668      12.32491 
1 1 1 28 18 26 o 37.55989 6.251748 19.56744       4.789134      26.94242       7.325392      12.18537       6.167781      45.78751 8.305161 29.33227 9.346748 16.45525       12.50350 
1 1 1 28 18 27 o 25.11649 6.443125 9.046929       4.504336      14.35323       6.611980      3.737791       6.118898      30.49237 9.673516 19.74061 8.513433 10.75177       12.88625 
1 1 1 28 19 0  o 50.21520 7.640779 26.85032       7.297054      26.85032       7.297054      26.85032       7.297054      50.21520 7.640779 50.21520 7.640779 0.000000       0.000000 
1 1 1 28 19 1  o 81.88936 3.498087 68.33726       5.705871      76.22942       8.147196      60.46636       7.991336      86.68918 4.699085 77.08955 5.183152 9.599632       6.996175 
1 1 1 28 19 2  o 37.15939 6.572036 15.15378       4.891151      13.14886       6.850729      17.15870       6.983210      34.66277 9.572275 39.65601 9.007674 -4.993233      13.14407 
1 1 1 28 19 3  o 90.31705 3.352285 82.88886       6.044511      76.15857       8.473083      89.68999       8.621859      86.58320 4.893030 94.05090 4.583613 -7.467697      6.704569 
1 1 1 28 19 4  o 68.57581 3.928843 48.04720       5.378566      50.75348       7.573349      45.33383       7.644195      70.55824 5.366737 66.59338 5.739456 3.964859       7.857686 
1 1 1 28 19 5  o 25.32758 6.823026 5.133441       4.804720      6.242169       6.811056      4.024714       6.778466      26.45654 9.760147 24.19862 9.536994 2.257912       13.64605 
1 1 1 28 19 6  o 58.40907 4.506039 35.10379       5.258129      36.04602       7.268716      34.15446       7.601687      59.25612 6.133303 57.56202 6.603041 1.694103       9.012078 
1 1 1 28 19 7  o 27.78956 6.995460 7.112856       5.018672      9.401155       6.614106      4.831641       7.552096      29.86741 9.695365 25.71170 10.08691 4.155714       13.99092 
1 1 1 28 19 8  o 89.51645 5.504332 81.96787       9.854564      81.96787       9.854564      ?              ?             89.51645 5.504332 ?        ?        ?              ?        
1 1 1 28 19 9  o 25.96875 7.201702 4.796926       5.520965      6.692744       7.495420      2.900402       8.111773      27.33497 10.20777 24.60253 10.16166 2.732439       14.40340 
1 1 1 28 19 10 o 31.42810 9.007946 1.309927       10.42841      -11.00934      17.41375      13.63061       11.46984      27.26053 12.76716 35.59568 12.71110 -8.335152      18.01589 
1 1 1 28 19 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 19 12 o 35.56657 7.455605 14.37449       5.720040      12.77339       8.338477      15.98267       7.835476      33.72856 10.87990 37.40458 10.19667 -3.676018      14.91121 
1 1 1 28 19 13 o 51.25114 5.493168 28.51518       5.468539      35.52885       8.267632      21.49443       7.155363      58.21381 7.101091 44.28846 8.382964 13.92535       10.98634 
1 1 1 28 19 14 o 43.79110 6.539312 21.59361       5.556387      20.32548       8.324308      22.86174       7.360813      42.07835 10.02110 45.50385 8.404041 -3.425499      13.07862 
1 1 1 28 19 15 o 22.07129 6.425368 2.546884       4.588642      3.353102       6.483042      1.740666       6.495085      22.76534 9.196361 21.37725 8.975988 1.388081       12.85074 
1 1 1 28 19 16 o 47.65095 5.452557 24.85957       5.023631      20.77181       7.043427      28.94025       7.162447      43.05497 8.481651 52.24692 6.854421 -9.191948      10.90511 
1 1 1 28 19 17 o 28.60010 6.922674 9.131943       4.811805      10.98809       6.811056      7.282885       6.799012      30.70161 9.826027 26.49859 9.754119 4.203020       13.84535 
1 1 1 28 19 18 o 38.14401 6.718697 17.03118       5.113605      16.37232       7.079559      17.69713       7.382068      37.41805 9.451708 38.86997 9.551376 -1.451920      13.43739 
1 1 1 28 19 19 f 32.62775 9.275706 15.86224       9.507423      22.44375       13.75105      9.280719       13.13470      36.70066 13.80211 28.55485 12.39583 8.145803       18.55141 
1 1 1 28 19 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 19 21 o 27.56566 7.279541 8.876901       5.394152      9.585353       7.877984      8.161365       7.367898      28.32842 10.48757 26.80291 10.09841 1.525505       14.55908 
1 1 1 28 19 22 o 40.98702 6.889544 21.55819       5.577641      20.57344       7.573349      22.54293       8.189702      40.20523 9.547837 41.76880 9.934893 -1.563568      13.77909 
1 1 1 28 19 23 o 24.23697 6.650842 6.617648       4.641068      5.880858       6.852146      7.353730       6.261296      23.62152 9.490722 24.85242 9.319925 -1.230900      13.30168 
1 1 1 28 19 24 o 24.88274 6.752239 7.800055       4.767172      10.35048       7.240376      5.246794       6.204620      27.49289 10.07103 22.27259 8.996964 5.220303       13.50448 
1 1 1 28 19 25 o 20.92410 6.258200 3.197243       4.803303      -0.4128857     7.339560      6.806805       6.202496      18.62757 8.559695 23.22062 9.131915 -4.593050      12.51640 
1 1 1 28 19 26 o 16.77338 5.550505 -1.494125      4.626190      -1.249001      7.053346      -1.739958      5.988543      17.44147 8.158878 16.10529 7.527623 1.336174       11.10101 
1 1 1 28 20 0  o 35.25107 11.27172 16.14561       6.981792      16.14561       6.981792      16.14561       6.981792      35.25107 11.27172 35.25107 11.27172 0.000000       0.000000 
1 1 1 28 20 1  o 19.96880 6.160673 -0.7594603     4.665863      0.3198660      6.625441      -1.839141      6.572307      20.78524 8.908648 19.15237 8.511847 1.632875       12.32135 
1 1 1 28 20 2  o 24.98932 6.817089 4.594310       4.901778      6.432034       6.678575      2.755877       7.176617      26.49784 9.675743 23.48080 9.605767 3.017038       13.63418 
1 1 1 28 20 3  o 25.71332 6.996689 5.099436       5.141943      7.495420       7.601687      2.701327       6.930075      28.30236 10.32396 23.12428 9.446189 5.178087       13.99338 
1 1 1 28 20 4  o 19.83610 6.369798 -3.925531      5.531591      -6.451162      7.651280      -1.399192      7.984251      18.19131 8.504995 21.48088 9.484849 -3.289570      12.73960 
1 1 1 28 20 5  o 82.77129 4.136933 70.49803       6.851437      63.78191       9.294888      77.22124       10.06710      78.80029 5.897749 86.74228 5.802879 -7.941986      8.273866 
1 1 1 28 20 6  o 66.58009 4.900643 46.29024       6.462497      52.96386       9.068183      39.61662       9.209873      71.61170 6.331495 61.54849 7.481802 10.06321       9.801286 
1 1 1 28 20 7  o 86.95271 5.166009 79.41744       8.742295      90.18591       10.69762      68.64898       13.82190      93.62991 5.712716 80.27551 8.609035 13.35440       10.33202 
1 1 1 28 20 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 20 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 20 10 o 47.92022 5.872740 24.88083       5.461455      22.81215       7.991336      26.94242       7.452912      45.27072 9.146305 50.56973 7.368948 -5.299007      11.74548 
1 1 1 28 20 11 o 85.32847 3.529124 74.59997       6.020423      76.37110       8.522675      72.75800       8.508506      86.38535 4.932940 84.27158 5.048265 2.113770       7.058249 
1 1 1 28 20 12 o 59.97160 4.982236 37.89508       5.939660      39.47493       7.630026      36.31524       9.110690      61.56734 6.196488 58.37585 7.803475 3.191486       9.964472 
1 1 1 28 20 13 o 63.56964 4.444885 42.68422       5.575515      51.52570       8.026759      33.84274       7.736294      70.47174 5.695019 56.66755 6.826035 13.80420       8.889770 
1 1 1 28 20 14 o 31.64492 6.751007 11.13686       4.867773      6.600646       6.883317      15.67804       6.884734      26.26284 9.787116 37.02700 9.301438 -10.76417      13.50201 
1 1 1 28 20 15 o 27.64026 6.922168 8.175533       4.825974      9.854564       6.906697      6.497920       6.742336      29.51409 9.907790 25.76642 9.669607 3.747673       13.84434 
1 1 1 28 20 16 o 73.07414 4.022001 56.38567       5.840477      47.91968       8.097604      64.84459       8.423491      67.35551 6.011093 78.79277 5.345345 -11.43726      8.044002 
1 1 1 28 20 17 o 34.13070 7.066043 13.77230       5.158946      11.79572       7.190785      15.75597       7.403321      31.77575 10.08879 36.48564 9.896068 -4.709885      14.13209 
1 1 1 28 20 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 20 19 o 23.94526 7.323184 6.570182       6.522716      9.379901       9.153197      3.756920       9.294888      25.67662 10.71109 22.21391 9.989423 3.462713       14.64637 
1 1 1 28 20 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 20 21 o 49.95000 6.318983 30.26506       5.984292      26.07102       9.493254      34.45910       7.282885      44.16830 10.81788 55.73170 6.533880 -11.56340      12.63797 
1 1 1 28 20 22 f 30.76113 7.358482 13.09927       5.434533      16.01810       8.218040      10.17337       7.112856      33.67930 10.79476 27.84295 10.00311 5.836348       14.71696 
1 1 1 28 20 23 o 30.17863 6.797792 12.06493       5.122107      6.629692       7.679617      17.50584       6.783425      24.09591 9.910274 36.26135 9.307329 -12.16544      13.59558 
1 1 1 28 20 24 o 40.28327 6.736349 22.88299       5.678241      15.82681       8.154280      29.94626       7.906322      31.76475 10.76552 48.80180 8.100442 -17.03705      13.47270 
1 1 1 28 20 25 o 24.54433 6.745779 8.791886       4.829516      11.68237       7.105771      5.902112       6.543969      27.23967 9.977097 21.84899 9.081832 5.390675       13.49156 
1 1 1 28 21 0  o 18.49328 12.24129 -0.4101227     11.33523      -0.4101227     11.33523      -0.4101227     11.33523      18.49328 12.24129 18.49328 12.24129 0.000000       0.000000 
1 1 1 28 21 1  f 46.88132 10.03064 28.39475       12.38374      -0.2400235     12.28455      57.02328       21.50151      26.83609 11.81682 66.92655 16.21166 -40.09046      20.06129 
1 1 1 28 21 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 21 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 21 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 21 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 21 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 21 7  o 26.96394 6.803519 5.191535       5.324015      12.78755       7.374983      -2.407319      7.679617      33.70924 10.12827 20.21864 9.086778 13.49060       13.60704 
1 1 1 28 21 8  o 47.43158 5.664873 24.24322       5.222707      26.94951       7.353730      21.53693       7.417490      50.65464 7.258693 44.20851 8.699111 6.446133       11.32975 
1 1 1 28 21 9  o 53.58667 4.996114 30.30048       5.319765      25.99310       7.445828      34.60787       7.594603      49.59391 7.506798 57.57944 6.594891 -7.985535      9.992228 
1 1 1 28 21 10 o 47.30780 5.743167 24.87374       5.181617      32.39750       7.459997      17.34290       7.190785      55.53302 6.716723 39.08258 9.317806 16.45044       11.48633 
1 1 1 28 21 11 o 82.29764 3.680940 69.87460       6.062930      73.04137       8.784801      66.73616       8.352647      84.14792 5.219857 80.44735 5.191375 3.700569       7.361880 
1 1 1 28 21 12 o 39.58456 7.096726 18.27806       5.688159      15.87640       6.885443      20.67971       9.054014      37.28075 9.263746 41.88837 10.75347 -4.607613      14.19345 
1 1 1 28 21 13 o 26.06585 6.891109 6.369689       4.969081      9.365732       7.079559      3.375064       6.974000      29.06228 10.02417 23.06941 9.458627 5.992874       13.78222 
1 1 1 28 21 14 o 55.47224 4.868775 33.09887       5.403362      35.51469       7.870899      30.68304       7.403321      57.52376 6.841434 53.42072 6.929261 4.103043       9.737550 
1 1 1 28 21 15 o 37.03197 6.920801 16.53526       5.455787      23.60561       8.430575      9.464915       6.930075      44.98750 9.648482 29.07644 9.924553 15.91105       13.84160 
1 1 1 28 21 16 o 33.28130 7.351254 13.82898       5.798677      8.310139       8.409323      19.34782       7.984251      27.38597 10.66434 39.17662 10.12105 -11.79066      14.70251 
1 1 1 28 21 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 21 18 o 20.16755 6.444564 -3.667655      6.093394      -10.13795      9.840395      2.799802       7.190785      18.40819 8.886902 21.92691 9.335555 -3.518719      12.88913 
1 1 1 28 21 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 21 20 o 34.54894 6.984083 14.69329       5.933992      7.495420       9.542846      21.89116       7.059722      26.58623 11.00376 42.51165 8.603888 -15.92542      13.96817 
1 1 1 28 21 21 o 24.47080 6.942916 6.899612       5.195077      8.147196       8.090520      5.654862       6.516339      25.85624 10.34421 23.08536 9.263565 2.770882       13.88583 
1 1 1 28 21 22 o 28.32129 7.197997 11.22188       5.319765      10.45675       8.253463      11.98701       6.709747      27.28451 10.57732 29.35807 9.765498 -2.073566      14.39599 
1 1 1 28 21 23 o 21.49896 6.108478 0.1708786      5.167447      -11.18645      7.835476      11.52651       6.740210      14.88438 7.331132 28.11354 9.772844 -13.22916      12.21696 
1 1 1 28 21 24 o 30.41027 7.110547 14.61536       5.158946      13.09927       7.792970      16.13144       6.759338      28.12608 10.42720 32.69446 9.670211 -4.568377      14.22109 
1 1 1 28 22 0  o 108.2556 6.601609 120.9327       14.18321      120.9327       14.18321      120.9327       14.18321      108.2556 6.601609 108.2556 6.601609 0.000000       0.000000 
1 1 1 28 22 1  o 26.07966 7.573673 3.538717       6.540427      -1.707369      8.218040      8.784801       10.18045      21.38335 9.510184 30.77598 11.78976 -9.392635      15.14735 
1 1 1 28 22 2  o 40.04654 8.130495 18.63228       6.871982      19.63828       9.486169      17.61920       9.939578      41.14939 11.22029 38.94370 11.76966 2.205692       16.26099 
1 1 1 28 22 3  o 35.11891 7.775820 13.97067       6.076391      15.21754       8.983169      12.73088       8.182618      36.49009 11.22172 33.74773 10.76691 2.742363       15.55164 
1 1 1 28 22 4  o 56.91152 5.558351 35.35174       5.878733      45.76598       8.161365      24.93750       8.465999      66.45504 6.140516 47.36800 9.266883 19.08704       11.11670 
1 1 1 28 22 5  o 25.85809 7.107355 5.491210       5.290009      5.031425       6.923699      5.950995       7.998421      24.95799 9.685267 26.75819 10.40450 -1.800198      14.21471 
1 1 1 28 22 6  o 61.58485 4.964792 40.08420       6.004128      45.94310       8.019674      34.22531       8.940661      66.50995 6.028928 56.65975 7.889782 9.850201       9.929585 
1 1 1 28 22 7  o 68.58961 7.168554 54.89793       8.104689      79.55913       8.848563      30.24380       13.58102      87.94452 5.030764 49.23471 13.42550 38.70981       14.33711 
1 1 1 28 22 8  o 17.14158 5.715209 -8.742295      5.329682      -2.787758      6.931493      -14.70037      8.097604      18.78759 8.526717 15.49557 7.612462 3.292017       11.43042 
1 1 1 28 22 9  o 50.30424 6.361609 28.30973       6.167781      28.50101       8.798972      28.11845       8.650196      50.44858 9.048905 50.15989 8.944139 0.2886848      12.72322 
1 1 1 28 22 10 o 53.73066 4.959165 30.67596       5.319765      29.34407       7.637110      32.01493       7.410406      52.43769 7.282080 55.02363 6.733839 -2.585938      9.918330 
1 1 1 28 22 11 o 23.90053 6.449015 3.576265       4.777799      9.656199       6.694869      -2.505794      6.817431      29.22250 9.754666 18.57856 8.438343 10.64393       12.89803 
1 1 1 28 22 12 o 18.61593 6.219902 -7.073183      6.148653      -9.415324      9.989170      -4.735292      7.169532      19.44656 9.281039 17.78530 8.283178 1.661261       12.43980 
1 1 1 28 22 13 o 77.46786 4.850415 64.66039       7.651280      75.59180       12.54668      53.71482       8.770633      83.58194 7.505617 71.35380 6.145877 12.22814       9.700830 
1 1 1 28 22 14 o 56.41459 6.531613 37.05203       7.516674      44.71748       12.33415      29.38658       8.600604      61.69265 9.996447 51.13653 8.409453 10.55612       13.06323 
1 1 1 28 22 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 22 16 o 21.73925 7.210606 -1.137065      8.246379      -6.262005      12.59627      3.987875       10.64095      20.41986 9.894349 23.05865 10.49158 -2.638790      14.42121 
1 1 1 28 22 17 o 25.70771 7.828457 1.632982       8.125941      -6.381733      12.97884      9.649114       9.776634      22.64465 10.71383 28.77077 11.41722 -6.126120      15.65691 
1 1 1 28 22 18 o 49.75088 6.252654 30.08795       5.897861      26.46067       9.443663      33.71522       7.062556      44.38349 10.73949 55.11827 6.406728 -10.73479      12.50531 
1 1 1 28 22 19 o 22.50610 6.449111 2.439199       5.151153      -3.515338      8.097604      8.395153       6.370398      18.76682 8.764537 26.24537 9.462930 -7.478546      12.89822 
1 1 1 28 22 20 o 26.72473 7.016532 9.131943       5.166030      8.019674       8.147196      10.25130       6.354104      25.61757 10.32552 27.83188 9.503183 -2.214306      14.03306 
1 1 1 28 22 21 o 56.76618 5.066691 38.03678       5.654153      36.44276       9.046929      39.63079       6.780592      53.94505 8.385320 59.58731 5.689627 -5.642265      10.13338 
1 1 1 28 22 22 o 19.40999 6.027130 0.5627941      4.934367      -4.097685      7.828392      5.223415       6.013339      17.27659 8.238424 21.54340 8.799632 -4.266811      12.05426 
1 1 1 28 22 23 f 37.48080 5.945035 19.97126       5.339601      7.367898       8.196787      32.56753       6.844352      23.05034 9.895179 51.91126 6.592358 -28.86092      11.89007 
1 1 1 28 23 0  o 25.13603 12.23769 10.07418       7.169532      10.07418       7.169532      10.07418       7.169532      25.13603 12.23769 25.13603 12.23769 0.000000       0.000000 
1 1 1 28 23 1  o 20.40858 6.351411 -1.239082      5.135567      2.185574       7.488335      -4.663030      7.026425      22.93131 9.633641 17.88585 8.279774 5.045460       12.70282 
1 1 1 28 23 2  o 22.68256 6.763452 1.009544       5.487668      6.446203       8.373900      -4.427824      7.091603      27.25896 10.63631 18.10616 8.357390 9.152809       13.52690 
1 1 1 28 23 3  o 60.55838 5.105033 39.02153       6.208871      43.60521       9.443663      34.44493       8.062181      64.05119 7.371965 57.06557 7.063963 6.985615       10.21007 
1 1 1 28 23 4  o 26.08099 7.229375 5.642818       5.510338      5.572681       8.260548      5.712247       7.289969      26.42769 10.49240 25.73430 9.948114 0.6933880      14.45875 
1 1 1 28 23 5  o 34.67326 6.920784 13.21263       5.515297      6.687077       8.373900      19.73747       7.176617      27.44764 10.65140 41.89887 8.839502 -14.45123      13.84157 
1 1 1 28 23 6  o 65.14108 7.255119 49.93168       8.196787      71.41194       10.02459      28.43725       12.97175      82.68258 6.062095 47.59957 13.18325 35.08301       14.51024 
1 1 1 28 23 7  o 29.70269 7.425035 9.075267       5.825599      3.367980       7.885069      14.79247       8.579351      24.09309 9.989007 35.31229 10.98837 -11.21920      14.85007 
1 1 1 28 23 8  o 93.61898 3.976786 91.67366       7.424574      89.68999       11.43441      93.65733       9.464915      92.15973 6.203584 95.07823 4.977436 -2.918503      7.953572 
1 1 1 28 23 9  o 33.38976 7.917661 12.28455       6.865606      6.769965       10.88890      17.79631       8.366816      28.52777 11.77754 38.25175 10.58522 -9.723988      15.83532 
1 1 1 28 23 10 o 27.78756 7.846272 7.141194       6.639610      7.927575       10.58427      6.359063       8.019674      29.19516 11.76837 26.37995 10.38082 2.815210       15.69254 
1 1 1 28 23 11 o 30.07522 8.641617 8.019674       8.210957      4.560304       11.17937      11.47692       12.02243      27.53072 11.67791 32.61973 12.74114 -5.089012      17.28323 
1 1 1 28 23 12 o 30.16167 8.414488 10.76847       7.651280      17.20829       12.28455      4.336433       9.139028      35.37914 13.09657 24.94420 10.56855 10.43494       16.82898 
1 1 1 28 23 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 23 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 23 15 o 29.62439 6.871698 7.417490       6.094102      -4.224498      9.358648      19.05735       7.814223      20.26773 9.448728 38.98106 9.980105 -18.71333      13.74340 
1 1 1 28 23 16 o 22.61283 10.84972 0.000000       0.000000      ?              ?             -7.000212      14.11944      ?        ?        22.61283 10.84972 ?              ?        
1 1 1 28 23 17 o 28.61583 7.220769 10.54885       5.270881      13.31889       8.331393      7.778800       6.461789      31.49541 10.87331 25.73626 9.504169 5.759153       14.44154 
1 1 1 28 23 18 o 18.71946 6.111660 -1.675489      5.338893      1.399192       8.515590      -4.749461      6.444786      21.46529 9.609813 15.97364 7.553875 5.491649       12.22332 
1 1 1 28 23 19 o 15.78732 5.390017 -7.807138      4.930116      1.110852       7.913406      -16.71946      5.880858      20.49831 9.217617 11.07632 5.589694 9.421989       10.78003 
1 1 1 28 23 20 o 19.62127 6.155983 1.954618       4.848644      2.349935       7.637110      1.559302       5.972248      20.56853 9.157249 18.67400 8.229781 1.894529       12.31197 
1 1 1 28 23 21 o 32.52796 6.912223 15.56469       5.337476      11.76738       8.444746      19.36907       6.531217      27.22202 10.66905 37.83389 8.791282 -10.61187      13.82445 
1 1 1 28 23 22 f 19.17450 5.805667 -0.9840395     4.901778      -10.71179      7.594603      8.742295       6.197536      14.28002 7.077416 24.06897 9.205069 -9.788947      11.61133 
1 1 1 28 24 0  o 10.60930 7.662284 -10.20170      7.367898      -10.20170      7.367898      -10.20170      7.367898      10.60930 7.662284 10.60930 7.662284 0.000000       0.000000 
1 1 1 28 24 1  o 65.34309 4.640892 45.69514       5.991377      54.59330       8.614774      36.79699       8.324308      72.08516 5.975414 58.60102 7.102529 13.48414       9.281783 
1 1 1 28 24 2  o 28.63205 6.827771 7.800055       5.321181      15.90474       7.693786      -0.3150485     7.346645      36.56997 10.16102 20.69412 9.122910 15.87585       13.65554 
1 1 1 28 24 3  f 24.17487 6.929436 4.228040       5.248210      5.954537       7.552096      2.501543       7.289969      25.74721 10.08975 22.60252 9.500801 3.144690       13.85887 
1 1 1 28 24 4  o 27.29206 6.825983 4.291093       5.843310      -6.254212      8.891070      14.83498       7.580434      19.38946 9.088325 35.19466 10.18717 -15.80520      13.65197 
1 1 1 28 24 5  o 29.85141 7.970809 9.656199       6.645278      10.17337       10.86057      9.139028       7.658363      30.91353 12.10265 28.78928 10.37599 2.124249       15.94162 
1 1 1 28 24 6  o 47.42404 9.546850 32.53919       10.25838      48.94693       18.55435      16.13144       8.749379      58.60696 15.56390 36.24112 11.06050 22.36584       19.09370 
1 1 1 28 24 7  o 47.75660 9.602829 31.71030       10.47800      42.87550       19.28406      20.54510       8.203872      53.86704 16.41662 41.64615 9.967542 12.22089       19.20566 
1 1 1 28 24 8  o 68.83181 8.100904 56.76115       10.83931      62.52795       19.68787      51.00144       9.082352      68.35776 14.81773 69.30586 6.552369 -0.9481049     16.20181 
1 1 1 28 24 9  o 27.91028 8.659187 7.134109       9.429493      17.70421       17.10911      -3.432449      7.927575      36.49209 14.86386 19.32846 8.887733 17.16362       17.31837 
1 1 1 28 24 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 24 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 24 12 o 32.12960 8.829103 16.76905       10.36465      18.19304       19.24155      15.34507       7.722124      31.38702 14.22917 32.87218 10.45672 -1.485161      17.65821 
1 1 1 28 24 13 o 31.45244 7.769278 12.23496       6.294595      9.401155       9.776634      15.06169       7.927575      28.71636 11.41041 34.18851 10.54747 -5.472147      15.53856 
1 1 1 28 24 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 24 15 o 21.38603 6.560278 1.099517       5.447994      -2.857894      8.196787      5.056929       7.176617      19.30807 8.939926 23.46398 9.603475 -4.155905      13.12056 
1 1 1 28 24 16 o 24.29428 7.065082 6.110397       5.535134      7.197870       8.465999      5.022923       7.127024      25.49442 10.43187 23.09413 9.530873 2.400291       14.13016 
1 1 1 28 24 17 o 21.82010 6.707676 3.292884       5.473498      3.260295       8.288886      3.324764       7.148279      22.20876 9.743315 21.43143 9.221685 0.7773361      13.41535 
1 1 1 28 24 18 o 23.98628 6.524278 2.238708       5.684617      -12.03660      7.885069      16.51401       8.196787      14.87317 7.332428 33.09939 10.79353 -18.22622      13.04856 
1 1 1 28 24 19 o 26.18084 6.685189 8.147196       5.302762      0.6010504      7.920490      15.69929       7.052638      19.62865 8.966105 32.73302 9.918466 -13.10436      13.37038 
1 1 1 28 24 20 o 42.26208 6.617565 25.27047       5.457204      25.05794       8.133026      25.47593       7.282885      41.13412 9.974681 43.39005 8.699103 -2.255932      13.23513 
1 1 1 28 25 0  o 121.5920 6.809295 154.0883       16.45025      154.0883       16.45025      154.0883       16.45025      121.5920 6.809295 121.5920 6.809295 0.000000       0.000000 
1 1 1 28 25 1  o 27.09220 7.822313 2.111895       7.580434      -8.140111      11.17937      12.36248       10.24421      21.38057 10.05799 32.80383 11.98295 -11.42326      15.64463 
1 1 1 28 25 2  o 50.57275 8.280070 31.50485       8.232210      30.38550       12.04368      32.61712       11.22188      49.17563 12.27154 51.96986 11.11969 -2.794228      16.56014 
1 1 1 28 25 3  o 46.36543 7.687581 25.63887       7.289969      23.33640       11.90907      27.93425       8.423491      42.43390 12.89480 50.29697 8.373756 -7.863079      15.37516 
1 1 1 28 25 4  o 25.83104 7.276063 0.4738834      6.978959      -10.45675      11.34940      11.40607       8.118857      20.54207 9.825018 31.12000 10.73468 -10.57793      14.55213 
1 1 1 28 25 5  o 26.17085 7.783720 6.151486       6.964081      8.869816       11.32106      3.431032       8.111773      28.97415 11.98823 23.36754 9.931135 5.606606       15.56744 
1 1 1 28 25 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 25 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 25 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 25 9  o 27.94508 7.904727 5.267339       9.202788      -6.416448      16.08894      16.95325       8.940661      22.78443 11.08448 33.10574 11.27267 -10.32130      15.80945 
1 1 1 28 25 10 o 22.43054 7.342991 -0.7495420     7.686701      4.358396       13.33306      -5.857479      7.637110      27.34738 12.14254 17.51370 8.260558 9.833675       14.68598 
1 1 1 28 25 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 25 12 o 25.59407 7.713308 7.015798       7.396237      20.48134       13.18429      -6.447619      6.711164      35.47701 13.46726 15.71114 7.524194 19.76587       15.42662 
1 1 1 28 25 13 o 24.56931 7.268963 4.064388       6.728875      1.173905       11.77447      6.955580       6.518465      24.25844 11.03715 24.88019 9.462168 -0.6217442     14.53793 
1 1 1 28 25 14 o 40.81660 7.414364 22.33040       6.911656      18.84482       11.94450      25.81598       6.959122      34.34715 12.87413 47.28605 7.358535 -12.93890      14.82873 
1 1 1 28 25 15 o 29.90502 7.899574 13.91399       6.595686      19.57452       11.61152      8.253463       6.264131      34.26948 12.72338 25.54056 9.366361 8.728914       15.79915 
1 1 1 28 25 16 o 15.42989 5.398780 -12.39791      6.330016      -17.61211      11.20062      -7.176617      5.899278      16.93152 8.422942 13.92826 6.755840 3.003264       10.79756 
1 1 1 28 25 17 o 26.59869 7.083894 10.42133       5.180200      13.21263       8.303054      7.622942       6.196119      29.10615 10.76853 24.09124 9.206795 5.014910       14.16779 
1 1 1 28 25 18 o 35.08480 6.982392 18.22138       5.224123      17.39249       8.125941      19.04318       6.568765      32.89357 10.74679 37.27603 8.917496 -4.382462      13.96478 
1 1 1 28 25 19 o 22.10150 6.564425 6.459663       5.010880      5.848269       7.800055      7.071057       6.295302      21.73507 9.494107 22.46793 9.068000 -0.7328568     13.12885 
1 1 1 28 26 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 26 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 26 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 26 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 26 4  o 23.94990 8.048069 4.385316       10.12378      14.09111       17.46334      -5.320473      10.25130      28.63539 13.17734 19.26441 9.243551 9.370979       16.09614 
1 1 1 28 26 5  o 37.06348 8.179767 19.07861       7.282885      11.60444       10.61261      26.55277       9.967916      29.89848 11.88568 44.22849 11.24121 -14.33001      16.35953 
1 1 1 28 26 6  o 22.45372 7.065487 0.2087807      6.536176      -2.356311      9.960832      2.773589       8.465999      21.72209 9.977506 23.18535 10.00669 -1.463266      14.13097 
1 1 1 28 26 7  o 25.56324 8.643224 0.9698705      11.78864      9.649114       21.45900      -7.707955      9.755382      31.93651 14.65893 19.18996 9.161724 12.74655       17.28645 
1 1 1 28 26 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 26 9  o 20.31148 6.589583 -1.598267      6.101895      2.775714       9.287803      -5.972248      7.913406      23.16815 10.22986 17.45480 8.309054 5.713354       13.17917 
1 1 1 28 26 10 o 33.73801 7.686280 15.39466       5.960205      14.17612       8.841478      16.62028       7.998421      32.19811 11.19298 35.27790 10.53721 -3.079792      15.37256 
1 1 1 28 26 11 o 21.86823 6.643404 2.350643       5.477749      9.394071       8.855647      -4.689950      6.451162      27.58686 10.89174 16.14960 7.609809 11.43726       13.28681 
1 1 1 28 26 12 o 19.09787 6.185550 -1.035048      5.406196      -1.596850      8.798972      -0.4726790     6.278300      20.10098 9.289999 18.09476 8.169456 2.006229       12.37110 
1 1 1 28 26 13 o 17.24346 5.699513 -4.793385      5.199328      -9.500339      8.359732      -0.8834394E-01 6.189034      16.37121 7.971021 18.11572 8.148659 -1.744514      11.39903 
1 1 1 28 26 14 o 27.45381 7.206634 10.88890       5.338184      14.06985       8.628942      7.700871       6.287509      30.35929 11.00675 24.54833 9.305577 5.810965       14.41327 
1 1 1 28 26 15 o 35.48492 7.168916 18.24972       6.587893      13.34015       11.38482      23.15220       6.629692      28.21053 11.86624 42.75932 8.047716 -14.54879      14.33783 
1 1 1 28 26 16 o 25.70313 6.534008 3.192992       6.473832      -9.493254      11.10852      15.87640       6.651654      18.24349 8.947507 33.16278 9.524451 -14.91929      13.06802 
1 1 1 28 26 17 o 31.24352 6.714515 13.47475       6.420699      4.384608       10.88890      22.56419       6.810347      22.06896 10.25108 40.41808 8.674917 -18.34912      13.42903 
1 1 1 28 27 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 27 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 27 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 28 27 3  o 30.54874 8.142009 12.16412       7.282885      8.366816       11.52651      15.96142       8.912323      27.50627 11.76857 33.59122 11.25478 -6.084948      16.28402 
1 1 1 28 27 4  o 40.42533 7.393010 22.45792       6.201078      30.09503       9.925409      14.82081       7.438744      47.52142 10.70080 33.32924 10.20388 14.19217       14.78602 
1 1 1 28 27 5  o 29.05058 7.499588 10.98809       5.981458      18.10803       9.564099      3.870272       7.190785      35.65175 11.65907 22.44941 9.436172 13.20235       14.99918 
1 1 1 28 27 6  o 17.23430 5.756624 -8.147196      5.644944      -15.13253      9.004422      -1.165403      6.812472      15.84220 7.816249 18.62641 8.453469 -2.784217      11.51325 
1 1 1 28 27 7  o 19.89999 6.646158 -6.642444      7.268716      -11.44858      11.61861      -1.834182      8.735210      19.49782 9.464761 20.30217 9.332950 -0.8043423     13.29232 
1 1 1 28 27 8  o 20.84664 6.440731 -2.556803      5.867398      -12.66712      8.841478      7.552096       7.715039      16.16869 7.946776 25.52459 10.13809 -9.355898      12.88146 
1 1 1 28 27 9  o 17.74848 5.906825 -11.43441      6.350562      -24.37783      10.30797      1.501918       7.417490      14.97458 7.543757 20.52238 9.091427 -5.547797      11.81365 
1 1 1 28 27 10 o 27.83083 7.583647 10.61261       6.014048      10.37173       9.160281      10.85348       7.792970      27.57785 11.01751 28.08381 10.42407 -0.5059509     15.16729 
1 1 1 28 27 11 o 27.70240 7.411972 10.84640       5.661947      11.36357       8.572267      10.32923       7.396237      28.07380 10.80106 27.33100 10.15315 0.7427921      14.82394 
1 1 1 28 27 12 o 22.09845 6.797748 4.407987       5.641402      7.032093       8.636027      1.783882       7.261631      24.21148 10.26663 19.98541 8.912562 4.226072       13.59550 
1 1 1 28 27 13 o 21.76743 6.456540 1.936199       5.456496      13.54560       8.395153      -9.670367      6.971874      29.22648 10.82508 14.30838 7.040257 14.91811       12.91308 
1 1 1 28 27 14 o 20.12414 6.403244 2.302468       5.426032      4.505753       8.097604      0.9861649E-01  7.219123      21.70979 9.573315 18.53849 8.506335 3.171303       12.80649 
1 1 1 28 27 15 o 26.90226 7.383657 12.31998       5.720748      12.49709       8.657280      12.14286       7.481250      26.72376 10.69660 27.08077 10.18118 -0.3570099     14.76731 
1 1 1 28 28 0  o 13.56713 9.286693 -1.960286      7.566265      -1.960286      7.566265      -1.960286      7.566265      13.56713 9.286693 13.56713 9.286693 0.000000       0.000000 
1 1 1 28 28 1  o 18.53086 6.031913 -2.424322      5.241835      -5.732792      7.474166      0.8841479      7.353730      16.88339 8.050673 20.17832 8.984573 -3.294935      12.06383 
1 1 1 28 28 2  o 29.52330 7.364664 11.83823       5.522382      8.699788       7.672533      14.97667       7.941744      26.35148 10.20185 32.69511 10.62428 -6.343630      14.72933 
1 1 1 28 28 3  o 29.83951 7.460034 12.32706       5.627941      9.776634       7.821308      14.88457       8.097604      27.29265 10.36909 32.38637 10.72803 -5.093721      14.92007 
1 1 1 28 28 4  o 20.33787 6.346391 0.1777506      5.333934      5.518839       7.360813      -5.163197      7.722124      23.35734 9.665577 17.31841 8.226987 6.038925       12.69278 
1 1 1 28 28 5  f 39.46165 7.067390 21.43067       5.677533      26.33315       9.146112      16.52818       6.729583      43.55441 10.58777 35.36890 9.364353 8.185513       14.13478 
1 1 1 28 28 6  o 15.09053 5.191589 -11.86657      5.353062      -19.65245      8.288886      -4.087059      6.772799      13.60530 6.845867 16.57576 7.806695 -2.970463      10.38318 
1 1 1 28 28 7  o 39.94678 6.749633 21.57944       5.829850      14.04151       8.969000      29.11028       7.445828      30.45451 11.20378 49.43905 7.530311 -18.98454      13.49927 
1 1 1 28 28 8  o 17.99733 5.868697 -4.264880      5.365105      -11.36357      8.303054      2.835932       6.797595      15.53430 7.651909 20.46035 8.900265 -4.926042      11.73739 
1 1 1 28 28 9  o 26.88242 7.190053 7.998421       6.375357      17.88841       8.430575      -1.886607      9.564099      33.90041 10.94026 19.86444 9.332637 14.03597       14.38011 
1 1 1 28 28 10 o 17.45671 5.798473 -3.304219      5.326849      -6.060805      8.310139      -0.5482708     6.662989      17.03871 8.211200 17.87473 8.189344 -0.8360195     11.59695 
1 1 1 28 28 11 o 17.71103 5.842994 -1.640066      5.169573      -2.210370      8.083434      -1.069054      6.443369      18.20827 8.561873 17.21378 7.953405 0.9944878      11.68599 
1 1 1 28 28 12 f 21.99067 6.611491 5.605271       5.283633      12.41208       8.437660      -1.201534      6.364022      27.15560 10.66000 16.82574 7.823793 10.32986       13.22298 
1 1 1 28 29 0  o 25.01570 12.62699 12.00826       7.743378      12.00826       7.743378      12.00826       7.743378      25.01570 12.62699 25.01570 12.62699 0.000000       0.000000 
1 1 1 28 29 1  o 30.26062 6.449937 11.75322       5.326140      0.1946826      7.346645      23.31515       7.715039      19.13904 8.710686 41.38221 9.514762 -22.24316      12.89987 
1 1 1 28 29 2  o 16.04499 5.450199 -5.825599      5.076057      -5.756171      7.304138      -5.895027      7.049803      16.22306 7.788659 15.86691 7.625974 0.3561420      10.90040 
1 1 1 28 29 3  o 21.69474 6.576519 4.219539       5.166739      6.200370       7.261631      2.239416       7.346645      23.10295 9.582699 20.28653 9.009678 2.816414       13.15304 
1 1 1 28 29 4  o 23.12664 6.846089 6.084183       5.394152      2.433532       7.119940      9.734127       8.104689      20.19273 8.931161 26.06055 10.37835 -5.867823      13.69218 
1 1 1 28 29 5  o 27.97149 7.102937 11.47692       5.221290      7.771716       7.275800      15.18212       7.488335      24.25884 9.766051 31.68414 10.31655 -7.425303      14.20587 
1 1 1 28 29 6  o 27.12319 7.182026 10.71888       5.487668      7.212039       7.991336      14.22571       7.516674      23.80774 9.974561 30.43864 10.33606 -6.630901      14.36405 
1 1 1 28 29 7  o 20.08127 6.345421 2.614187       5.236876      7.374983       8.451830      -2.143775      6.188326      23.82445 10.13159 16.33809 7.642535 7.486355       12.69084 
1 1 1 28 29 8  o 24.04720 6.656882 7.028550       5.324723      17.42083       8.465999      -3.360895      6.458246      32.17049 10.96936 15.92391 7.545166 16.24658       13.31376 
1 1 1 28 29 9  o 17.15358 5.795258 -3.484166      5.560638      0.3934741      8.317224      -7.360813      7.382068      19.12363 8.912313 15.18352 7.410178 3.940105       11.59052 
1 1 1 28 30 0  o 21.18121 11.64381 9.153197       7.000212      9.153197       7.000212      9.153197       7.000212      21.18121 11.64381 21.18121 11.64381 0.000000       0.000000 
1 1 1 28 30 1  o 21.76406 6.506112 5.163905       5.078891      9.486169       7.268716      0.8388069      7.098687      24.93909 9.860950 18.58903 8.489971 6.350061       13.01222 
1 1 1 28 30 2  o 24.20917 6.848661 8.508506       5.155404      11.69654       7.332476      5.322598       7.247461      26.93865 10.08897 21.47969 9.264406 5.458960       13.69732 
1 1 1 28 30 3  o 19.39106 6.158009 2.313095       5.022215      0.6340643      7.233293      3.992126       6.965498      18.44708 8.485467 20.33504 8.926430 -1.887964      12.31602 
1 1 1 28 30 4  o 33.81580 6.707187 18.20721       5.301345      8.848563       7.084518      27.56586       7.892153      24.00978 9.648817 43.62182 9.319108 -19.61204      13.41437 
1 1 1 29 0  1  o 10.87164 7.447355 -2.570263      4.886192      -2.570263      4.886192      -2.570263      4.886192      10.87164 7.447355 10.87164 7.447355 0.000000       0.000000 
1 1 1 29 0  2  o 45.18416 5.938651 21.55819       5.219872      21.55819       5.219872      21.55819       5.219872      45.18416 5.938651 45.18416 5.938651 0.000000       0.000000 
1 1 1 29 0  3  o 9.528293 6.772995 -5.660530      5.059054      -5.660530      5.059054      -5.660530      5.059054      9.528293 6.772995 9.528293 6.772995 0.000000       0.000000 
1 1 1 29 0  4  o 62.82600 4.696374 40.25423       5.835517      40.25423       5.835517      40.25423       5.835517      62.82600 4.696374 62.82600 4.696374 0.000000       0.000000 
1 1 1 29 0  5  o 150.8286 3.784071 228.4048       11.39899      228.4048       11.39899      228.4048       11.39899      150.8286 3.784071 150.8286 3.784071 0.000000       0.000000 
1 1 1 29 0  6  o 100.8091 3.640151 102.2296       7.318307      102.2296       7.318307      102.2296       7.318307      100.8091 3.640151 100.8091 3.640151 0.000000       0.000000 
1 1 1 29 0  7  o 56.89832 5.093135 33.28306       5.707996      33.28306       5.707996      33.28306       5.707996      56.89832 5.093135 56.89832 5.093135 0.000000       0.000000 
1 1 1 29 0  8  o 193.3026 3.388776 374.7710       13.09219      374.7710       13.09219      374.7710       13.09219      193.3026 3.388776 193.3026 3.388776 0.000000       0.000000 
1 1 1 29 0  9  o 167.7782 3.355697 282.3889       11.25021      282.3889       11.25021      282.3889       11.25021      167.7782 3.355697 167.7782 3.355697 0.000000       0.000000 
1 1 1 29 0  10 o 367.3375 4.489386 1354.560       32.97134      1354.560       32.97134      1354.560       32.97134      367.3375 4.489386 367.3375 4.489386 0.000000       0.000000 
1 1 1 29 0  11 o 132.9678 3.447016 177.5380       9.153197      177.5380       9.153197      177.5380       9.153197      132.9678 3.447016 132.9678 3.447016 0.000000       0.000000 
1 1 1 29 0  12 o 14.21057 8.910618 1.399192       5.118564      1.399192       5.118564      1.399192       5.118564      14.21057 8.910618 14.21057 8.910618 0.000000       0.000000 
1 1 1 29 0  13 o 228.6747 3.572484 524.6086       16.32981      524.6086       16.32981      524.6086       16.32981      228.6747 3.572484 228.6747 3.572484 0.000000       0.000000 
1 1 1 29 0  14 o 27.07374 11.73093 10.69762       6.509255      10.69762       6.509255      10.69762       6.509255      27.07374 11.73093 27.07374 11.73093 0.000000       0.000000 
1 1 1 29 0  15 o 36.82464 10.49192 16.74780       6.688493      16.74780       6.688493      16.74780       6.688493      36.82464 10.49192 36.82464 10.49192 0.000000       0.000000 
1 1 1 29 0  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 0  17 o 17.12839 10.18337 3.550761       5.970123      3.550761       5.970123      3.550761       5.970123      17.12839 10.18337 17.12839 10.18337 0.000000       0.000000 
1 1 1 29 0  18 o 126.1939 3.678447 160.2518       9.266549      160.2518       9.266549      160.2518       9.266549      126.1939 3.678447 126.1939 3.678447 0.000000       0.000000 
1 1 1 29 0  19 f 178.3540 3.922765 320.0785       13.97775      320.0785       13.97775      320.0785       13.97775      178.3540 3.922765 178.3540 3.922765 0.000000       0.000000 
1 1 1 29 0  20 o 104.3494 3.843894 109.8809       7.998421      109.8809       7.998421      109.8809       7.998421      104.3494 3.843894 104.3494 3.843894 0.000000       0.000000 
1 1 1 29 0  21 o 11.76252 8.009384 -2.323013      5.499711      -2.323013      5.499711      -2.323013      5.499711      11.76252 8.009384 11.76252 8.009384 0.000000       0.000000 
1 1 1 29 0  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 0  23 o 13.27061 8.720068 -0.1749167     5.613772      -0.1749167     5.613772      -0.1749167     5.613772      13.27061 8.720068 13.27061 8.720068 0.000000       0.000000 
1 1 1 29 0  24 o 71.48443 4.692349 52.37584       6.649529      52.37584       6.649529      52.37584       6.649529      71.48443 4.692349 71.48443 4.692349 0.000000       0.000000 
1 1 1 29 0  25 o 12.39751 8.242872 -0.6320098     5.216331      -0.6320098     5.216331      -0.6320098     5.216331      12.39751 8.242872 12.39751 8.242872 0.000000       0.000000 
1 1 1 29 0  26 o 69.35644 4.909131 49.71206       6.740918      49.71206       6.740918      49.71206       6.740918      69.35644 4.909131 69.35644 4.909131 0.000000       0.000000 
1 1 1 29 0  27 o 14.04001 9.182176 0.5020089      6.139443      0.5020089      6.139443      0.5020089      6.139443      14.04001 9.182176 14.04001 9.182176 0.000000       0.000000 
1 1 1 29 0  28 o 18.27187 11.82115 5.698786       9.833311      5.698786       9.833311      5.698786       9.833311      18.27187 11.82115 18.27187 11.82115 0.000000       0.000000 
1 1 1 29 0  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 0  30 o 23.72369 10.75815 9.231127       5.470665      9.231127       5.470665      9.231127       5.470665      23.72369 10.75815 23.72369 10.75815 0.000000       0.000000 
1 1 1 29 0  31 o 12.46163 8.287808 0.1168237      5.282216      0.1168237      5.282216      0.1168237      5.282216      12.46163 8.287808 12.46163 8.287808 0.000000       0.000000 
1 1 1 29 0  32 o 12.37796 8.307523 -0.1850476     5.588976      -0.1850476     5.588976      -0.1850476     5.588976      12.37796 8.307523 12.37796 8.307523 0.000000       0.000000 
1 1 1 29 1  0  o 92.57924 3.692778 86.28942       6.813890      86.28942       6.813890      86.28942       6.813890      92.57924 3.692778 92.57924 3.692778 0.000000       0.000000 
1 1 1 29 1  1  o 33.24449 5.528020 11.69654       3.617355      12.27747       5.052678      11.11561       5.178782      34.09065 7.606017 32.39833 8.023996 1.692318       11.05604 
1 1 1 29 1  2  o 139.0520 2.316494 193.9741       6.441244      196.3828       9.160281      191.5654       9.061099      139.9158 3.273499 138.1883 3.278533 1.727463       4.632988 
1 1 1 29 1  3  o 195.8851 2.362328 385.0435       9.252379      395.8120       13.29056      374.2751       12.88674      198.6238 3.345660 193.1463 3.336004 5.477509       4.724656 
1 1 1 29 1  4  o 117.9677 2.421501 139.7067       5.710121      133.7557       8.019674      145.6577       8.133026      115.4483 3.473276 120.4872 3.375059 -5.038902      4.843002 
1 1 1 29 1  5  o 81.05318 2.804486 66.30400       4.531966      75.16674       6.582225      57.43419       6.231542      86.51226 3.804215 75.59409 4.121713 10.91817       5.608972 
1 1 1 29 1  6  f 79.37471 2.832337 63.37810       4.491584      59.50995       6.314431      67.24624       6.389527      76.94043 4.103455 81.80900 3.905149 -4.868568      5.664674 
1 1 1 29 1  7  o 72.16098 3.021702 52.88593       4.335725      63.08055       6.392360      42.69130       5.858896      79.20565 4.035293 65.11630 4.498794 14.08935       6.043405 
1 1 1 29 1  8  o 57.48495 3.583972 33.35391       4.116813      32.60295       5.990668      34.10487       5.648486      56.81622 5.271970 58.15368 4.856517 -1.337456      7.167944 
1 1 1 29 1  9  o 141.2227 2.401489 200.2085       6.784843      200.5627       9.585353      199.9251       9.599521      141.3360 3.390982 141.1094 3.401448 0.2265778      4.802979 
1 1 1 29 1  10 o 54.97885 3.901707 30.90266       4.237958      37.66838       6.166365      24.14404       5.815681      61.11252 5.045091 48.84519 5.953177 12.26733       7.803413 
1 1 1 29 1  11 o 30.87953 5.825855 10.03168       3.829182      14.01318       5.405487      6.044511       5.424615      36.38310 7.668451 25.37596 8.772525 11.00715       11.65171 
1 1 1 29 1  12 o 22.56706 6.005187 3.912779       3.701661      3.048468       5.158237      4.776382       5.310555      21.46328 8.353436 23.67085 8.629552 -2.207561      12.01037 
1 1 1 29 1  13 o 22.90727 5.806174 3.188033       3.850435      -2.483832      5.239709      8.862731       5.644236      16.61739 7.484927 29.19715 8.878204 -12.57976      11.61235 
1 1 1 29 1  14 o 49.31571 4.768122 24.78164       4.687117      25.68846       6.128817      23.87483       7.091603      50.30144 6.092089 48.32998 7.336649 1.971455       9.536244 
1 1 1 29 1  15 o 98.29363 3.310161 98.04973       6.547511      110.3059       10.10252      85.79351       8.331393      104.4257 4.837181 92.16154 4.519994 12.26418       6.620322 
1 1 1 29 1  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 1  17 o 19.06091 5.907328 -1.972330      4.471039      -6.109688      5.829850      2.165029       6.780592      15.44508 7.265044 22.67674 9.316933 -7.231660      11.81466 
1 1 1 29 1  18 o 51.83506 4.801170 28.27431       4.557470      35.12504       5.603854      21.42358       7.190785      58.89577 4.757433 44.77435 8.340969 14.12142       9.602340 
1 1 1 29 1  19 f 67.61179 3.642995 46.53820       4.866355      50.36383       6.096936      42.71256       7.587519      70.55839 4.320490 64.66520 5.866771 5.893188       7.285989 
1 1 1 29 1  20 o 57.47655 4.003205 33.90651       4.485917      38.62479       5.532300      29.19530       7.063264      61.72268 4.481578 53.23043 6.634611 8.492249       8.006411 
1 1 1 29 1  21 o 42.15566 5.225976 18.80939       4.264171      19.63828       5.148319      17.98050       6.799720      43.74243 5.884811 40.56889 8.637842 3.173538       10.45195 
1 1 1 29 1  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 1  23 o 20.43301 5.961761 1.860394       3.951744      1.538049       5.519547      2.183449       5.656987      20.03699 8.335450 20.82902 8.525881 -0.7920227     11.92352 
1 1 1 29 1  24 o 25.81287 6.088421 6.655904       3.888692      3.207870       5.501836      10.10252       5.496169      21.52882 8.558073 30.09692 8.662268 -8.568100      12.17684 
1 1 1 29 1  25 o 68.76108 3.367553 48.61396       4.630441      49.91751       6.559555      47.31041       6.536176      69.70552 4.705191 67.81663 4.819007 1.888893       6.735106 
1 1 1 29 1  26 o 23.84373 5.833750 4.754420       3.895068      10.49926       5.535842      -0.9918325     5.482000      30.17789 8.696052 17.50956 7.778768 12.66833       11.66750 
1 1 1 29 1  27 o 50.53813 4.534035 27.62254       4.578016      29.10320       6.487293      26.14896       6.460372      51.99103 6.238858 49.08522 6.580770 2.905807       9.068069 
1 1 1 29 1  28 o 38.44845 7.115633 22.30915       5.804345      14.70037       7.835476      29.91083       8.565183      30.50612 10.54348 46.39077 9.558448 -15.88465      14.23127 
1 1 1 29 1  29 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 1  30 o 43.70135 4.936840 22.03993       4.169239      18.09386       5.767506      25.97893       6.023257      39.00996 7.665509 48.39275 6.223306 -9.382790      9.873680 
1 1 1 29 1  31 o 42.42180 5.192535 22.79089       4.135233      34.55828       6.104020      11.02351       5.581183      55.98111 5.451858 28.86250 8.838943 27.11860       10.38507 
1 1 1 29 1  32 o 23.02843 6.184029 6.882609       3.936158      6.145820       5.535134      7.622942       5.598895      22.19906 8.650476 23.85780 8.839578 -1.658745      12.36806 
1 1 1 29 2  0  o 154.2701 3.245350 238.6774       10.00334      238.6774       10.00334      238.6774       10.00334      154.2701 3.245350 154.2701 3.245350 0.000000       0.000000 
1 1 1 29 2  1  o 74.30971 2.947795 55.52845       4.379649      53.10555       6.130942      57.95135       6.256337      72.68329 4.217574 75.93613 4.119473 -3.252846      5.895591 
1 1 1 29 2  2  o 79.41393 2.801646 63.49854       4.448369      57.49794       6.087726      69.49912       6.487293      75.64751 4.023745 83.18035 3.899535 -7.532837      5.603293 
1 1 1 29 2  3  o 17.61793 5.377584 -0.4516380     3.458662      -0.5890068     4.867064      -0.3142692     4.915238      17.45535 7.561105 17.78052 7.648746 -0.3251648     10.75517 
1 1 1 29 2  4  o 126.8776 2.364935 161.5270       6.002004      164.7859       8.621859      158.2681       8.352647      128.1552 3.363835 125.6000 3.325099 2.555237       4.729869 
1 1 1 29 2  5  o 109.6647 2.446081 120.7202       5.365814      123.9791       7.715039      117.4613       7.459997      111.1439 3.470745 108.1855 3.447780 2.958344       4.892162 
1 1 1 29 2  6  o 40.64581 5.182845 17.41375       3.999210      22.37291       5.356604      12.46167       5.939660      47.05711 5.691598 34.23449 8.663327 12.82262       10.36569 
1 1 1 29 2  7  o 23.03445 5.894838 4.396652       3.557845      2.558219       4.980416      6.235084       5.082433      20.70926 8.170698 25.35964 8.499187 -4.650385      11.78968 
1 1 1 29 2  8  o 25.41818 5.640912 5.777424       3.636483      11.37065       5.387067      0.1854018      4.886192      32.69273 8.236917 18.14363 7.709261 14.54910       11.28182 
1 1 1 29 2  9  o 155.8693 2.348622 243.9908       7.325392      255.9636       10.59844      232.0888       10.10961      159.6845 3.318556 152.0540 3.324347 7.630508       4.697244 
1 1 1 29 2  10 o 135.7492 2.404282 185.0476       6.527675      187.8814       9.273635      182.1430       9.188620      136.8035 3.389399 134.6948 3.410903 2.108734       4.808564 
1 1 1 29 2  11 f 80.18342 2.893149 64.70998       4.639651      62.52795       6.475958      66.89202       6.645986      78.82920 4.107588 81.53764 4.075410 -2.708435      5.786299 
1 1 1 29 2  12 o 93.47366 2.715961 87.91887       5.078891      88.34394       7.141194      87.42295       7.219123      93.72293 3.809737 93.22438 3.871908 0.4985504      5.431921 
1 1 1 29 2  13 f 70.41920 3.252892 50.03795       4.573056      52.85759       6.414322      47.21832       6.521298      72.42604 4.428188 68.41235 4.766171 4.013687       6.505785 
1 1 1 29 2  14 o 72.59811 3.331022 53.36059       4.825265      47.36709       6.671490      59.35409       6.973290      68.48506 4.870763 76.71116 4.545161 -8.226097      6.662043 
1 1 1 29 2  15 f 56.65810 15.99041 0.000000       0.000000      ?              ?             37.48418       18.90858      ?        ?        56.65810 15.99041 ?              ?        
1 1 1 29 2  16 o 99.22291 5.394272 0.000000       0.000000      ?              ?             100.1042       10.70471      ?        ?        99.22291 5.394272 ?              ?        
1 1 1 29 2  17 o 112.9830 2.924299 128.8674       6.627566      125.3960       8.055097      132.3388       10.52759      111.5851 3.609395 114.3808 4.601995 -2.795631      5.848597 
1 1 1 29 2  18 o 19.93628 5.803700 -0.6847187     4.191909      4.347060       5.112188      -5.716498      6.645278      22.79490 8.446462 17.07766 7.961722 5.717234       11.60740 
1 1 1 29 2  19 o 68.73071 3.541994 48.06137       4.909571      44.40576       5.873065      51.71698       7.870899      66.22868 4.433929 71.23273 5.524777 -5.004059      7.083988 
1 1 1 29 2  20 o 79.18127 3.169338 63.76774       5.074640      56.88160       6.079224      70.65389       8.125941      74.99258 4.053217 83.36998 4.873422 -8.377403      6.338676 
1 1 1 29 2  21 o 84.04263 3.112370 71.83701       5.158946      78.28393       6.443369      65.34759       8.062181      88.02528 3.659954 80.05999 5.035088 7.965286       6.224739 
1 1 1 29 2  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 2  23 o 35.57941 6.020544 14.19737       4.283299      10.71179       5.480583      17.69004       6.583642      31.12551 8.546901 40.03331 8.481643 -8.907795      12.04109 
1 1 1 29 2  24 o 28.90647 6.154387 9.216957       3.907111      7.155363       5.459329      11.28564       5.590393      26.08968 8.808697 31.72326 8.597252 -5.633583      12.30877 
1 1 1 29 2  25 o 43.15831 4.959624 20.04210       4.179157      21.63612       5.935409      18.44808       5.884400      45.30257 6.550852 41.01404 7.448342 4.288528       9.919248 
1 1 1 29 2  26 o 74.76994 3.264072 57.76007       4.880525      57.56171       7.015089      57.95844       6.787676      74.59644 4.702027 74.94344 4.528533 -0.3470078     6.528144 
1 1 1 29 2  27 o 22.18583 6.570033 2.651027       5.117147      -0.4038175     7.885069      5.705871       6.525549      20.48453 9.206830 23.88713 9.375266 -3.402599      13.14007 
1 1 1 29 2  28 f 22.54150 6.270215 4.726790       4.490167      0.5917698      6.674324      8.862731       6.008380      19.01406 8.510171 26.06894 9.210830 -7.054876      12.54043 
1 1 1 29 2  29 o 53.55215 4.948961 32.65254       5.367939      36.42859       8.905238      28.87649       6.000587      55.70066 7.993835 51.40363 5.836735 4.297039       9.897923 
1 1 1 29 2  30 o 32.21908 5.210585 12.46875       3.982916      22.54293       5.724998      2.400234       5.539385      44.92315 6.371991 19.51500 8.246121 25.40815       10.42117 
1 1 1 29 2  31 o 21.10961 5.738096 4.058012       3.761879      9.061099       5.552136      -0.9443662     5.078182      26.23605 8.883257 15.98316 7.265723 10.25290       11.47619 
1 1 1 29 2  32 o 29.27427 6.253328 11.95158       3.986458      13.25513       5.695952      10.64803       5.578349      30.97451 8.787450 27.57404 8.899280 3.400471       12.50666 
1 1 1 29 3  0  o 88.73869 3.809337 79.34660       6.733834      79.34660       6.733834      79.34660       6.733834      88.73869 3.809337 88.73869 3.809337 0.000000       0.000000 
1 1 1 29 3  1  f 21.75888 5.542398 2.882690       3.453702      7.374983       4.879816      -1.610311      4.887609      26.86527 8.272603 16.65248 7.378128 10.21279       11.08480 
1 1 1 29 3  2  o 88.44231 2.665167 78.56730       4.711913      81.11773       6.645278      76.01688       6.682117      89.88519 3.696537 86.99944 3.840322 2.885750       5.330334 
1 1 1 29 3  3  o 49.91711 3.927397 25.46884       3.861770      31.26398       5.579766      19.68079       5.340310      55.70867 5.007987 44.12554 6.051268 11.58313       7.854794 
1 1 1 29 3  4  o 54.99160 3.670638 30.48468       4.036758      30.62637       5.652737      30.34299       5.764672      55.12477 5.127220 54.85843 5.254136 0.2663498      7.341276 
1 1 1 29 3  5  o 63.58755 3.231322 40.71472       4.110437      42.44335       5.926199      38.98610       5.696661      64.93864 4.562922 62.23646 4.576626 2.702179       6.462644 
1 1 1 29 3  6  o 17.84000 5.355028 -0.8465999E-01 3.384274      -1.652818      4.846519      1.483498       4.725374      16.51935 7.329547 19.16065 7.809163 -2.641304      10.71006 
1 1 1 29 3  7  o 103.6805 2.501514 108.0389       5.187992      111.5812       7.474166      104.4258       7.197870      105.3972 3.545715 101.9638 3.529619 3.433334       5.003029 
1 1 1 29 3  8  o 27.78473 5.941129 7.984251       3.581932      7.601687       5.096602      8.366816       5.034966      27.24300 8.467651 28.32646 8.335881 -1.083460      11.88226 
1 1 1 29 3  9  o 26.71200 4.992677 5.759005       3.607436      -3.822805      4.953495      15.33798       5.244668      15.18004 6.998396 38.24395 7.122482 -23.06391      9.985353 
1 1 1 29 3  10 o 27.29724 5.970556 7.382068       3.764713      3.998502       5.281508      10.76138       5.366522      22.75410 8.554431 31.84038 8.331379 -9.086279      11.94111 
1 1 1 29 3  11 o 90.14929 2.763558 81.75533       4.981124      83.88069       7.049096      79.62997       7.040594      91.32777 3.859229 88.97081 3.956687 2.356964       5.527117 
1 1 1 29 3  12 o 171.5090 2.388498 295.4952       8.189702      299.8876       11.68946      291.1028       11.48400      172.7826 3.382706 170.2353 3.372979 2.547318       4.776996 
1 1 1 29 3  13 o 106.2056 3.256588 113.7065       6.892527      115.7610       7.977167      111.7228       11.24313      107.3014 3.717179 105.1099 5.348274 2.191467       6.513175 
1 1 1 29 3  14 o 34.28499 6.290699 12.36957       4.497252      14.51618       5.322598      10.23004       7.247461      37.03654 7.447500 31.53345 10.14033 5.503096       12.58140 
1 1 1 29 3  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 3  16 o 65.45238 4.489658 43.87442       5.846852      46.88534       7.892153      40.86350       8.628942      67.81898 5.818542 63.08577 6.839056 4.733215       8.979317 
1 1 1 29 3  17 o 99.97729 3.030819 100.9544       6.065764      100.1042       7.396237      101.8045       9.613690      99.68020 3.709983 100.2744 4.793692 -0.5941925     6.061638 
1 1 1 29 3  18 o 109.2554 3.186509 120.7910       6.966915      119.9409       7.389152      121.5703       11.80989      109.1603 3.384541 109.3504 5.400023 -0.1900406     6.373018 
1 1 1 29 3  19 o 76.08934 3.399713 58.78025       5.134150      61.55738       6.218790      56.00311       8.168448      78.06211 3.983232 74.11658 5.510541 3.945534       6.799427 
1 1 1 29 3  20 o 86.06589 3.191231 75.16674       5.471373      78.35477       7.204955      71.97870       8.239295      87.99978 4.093734 84.13199 4.896648 3.867790       6.382462 
1 1 1 29 3  21 f 59.25009 3.862472 35.99643       4.617689      32.99968       5.531591      39.00027       7.396237      56.91849 4.859222 61.58168 6.005225 -4.663193      7.724944 
1 1 1 29 3  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 3  23 o 36.61379 5.706427 14.69329       4.094851      15.21046       5.039926      14.17612       6.456121      37.61045 6.961997 35.61713 9.043442 1.993320       11.41285 
1 1 1 29 3  24 f 28.25322 5.860600 8.976085       3.921280      2.544759       4.517797      15.40883       6.410071      19.53275 7.758068 36.97368 8.786290 -17.44093      11.72120 
1 1 1 29 3  25 o 48.47607 4.837645 25.38383       4.472456      30.12337       6.147944      20.65137       6.497211      53.73852 5.720240 43.21363 7.803209 10.52489       9.675289 
1 1 1 29 3  26 o 40.08142 5.486616 18.00176       4.235125      17.21538       6.057263      18.78814       5.921240      39.04104 8.032785 41.12180 7.475707 -2.080761      10.97323 
1 1 1 29 3  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 3  28 o 32.05094 5.399637 11.64695       4.438450      23.42850       6.378191      -0.1270254     6.173449      45.61760 6.990932 18.48427 8.231112 27.13333       10.79927 
1 1 1 29 3  29 o 72.02673 3.472079 55.24507       4.992460      53.93444       7.332476      56.56279       6.782009      70.93288 5.168601 73.12057 4.637552 -2.187683      6.944158 
1 1 1 29 3  30 o 19.72071 5.293849 0.6811764      3.652069      -7.821308      5.027883      9.181536       5.297802      12.43723 6.079393 27.00418 8.668350 -14.56694      10.58770 
1 1 1 29 3  31 o 26.92422 6.220453 9.634944       3.860354      10.59844       5.601728      8.671450       5.314096      28.12184 8.902089 25.72660 8.690740 2.395235       12.44091 
1 1 1 29 3  32 o 33.33069 5.413657 14.86332       4.045968      5.853229       5.557096      23.87483       5.882275      21.78054 8.618937 44.88083 6.553216 -23.10029      10.82731 
1 1 1 29 4  0  o 94.96616 3.624388 90.75267       6.862064      90.75267       6.862064      90.75267       6.862064      94.96616 3.624388 94.96616 3.624388 0.000000       0.000000 
1 1 1 29 4  1  o 104.8760 2.439696 110.3768       5.115730      109.8100       7.247461      110.9436       7.226208      104.6052 3.464196 105.1467 3.436249 -0.5414886     4.879392 
1 1 1 29 4  2  o 112.9520 2.413341 128.0881       5.451536      122.2788       7.608772      133.8974       7.807138      110.3854 3.446456 115.5186 3.379170 -5.133125      4.826681 
1 1 1 29 4  3  o 37.00974 5.125722 14.38866       3.657736      13.65187       5.096602      15.11836       5.248210      36.02824 7.327715 37.99123 7.169148 -1.962990      10.25144 
1 1 1 29 4  4  o 19.55027 5.086150 -0.7068223     3.404819      -8.784801      4.800469      7.374983       4.828807      12.27553 5.988194 26.82500 8.222969 -14.54947      10.17230 
1 1 1 29 4  5  o 90.54077 2.656970 82.46378       4.806137      77.50462       6.757921      87.35210       6.836560      87.82411 3.847418 93.25743 3.665424 -5.433319      5.313940 
1 1 1 29 4  6  o 92.95245 2.637152 86.78535       4.902486      86.57281       6.942119      87.06872       6.924408      92.81850 3.739620 93.08641 3.719344 -0.2679138     5.274304 
1 1 1 29 4  7  o 171.3749 2.347286 294.8576       8.048012      294.2200       11.39190      295.4952       11.36357      171.1880 3.327308 171.5618 3.311801 -0.3737488     4.694572 
1 1 1 29 4  8  o 96.33800 2.680267 93.37395       5.158946      86.28942       7.204955      100.5293       7.382068      92.64854 3.888326 100.0275 3.690021 -7.378906      5.360535 
1 1 1 29 4  9  o 48.54056 4.045092 23.97401       3.902152      27.85633       5.641402      20.09878       5.392026      52.52399 5.370309 44.55712 6.050690 7.966869       8.090183 
1 1 1 29 4  10 o 63.64272 3.322913 40.93435       4.214580      36.74031       5.931159      45.12130       5.989960      60.35298 4.913724 66.93245 4.474631 -6.579468      6.645826 
1 1 1 29 4  11 f 99.41714 2.793690 99.53748       5.593935      93.51564       6.707621      105.5593       8.954830      96.47528 3.476342 102.3590 4.374228 -5.883713      5.587380 
1 1 1 29 4  12 o 57.36971 3.928368 33.33266       4.529132      31.88033       5.472790      34.77790       7.219123      56.20181 4.868874 58.53760 6.166228 -2.335796      7.856736 
1 1 1 29 4  13 o 33.48003 6.726526 11.96575       4.858562      10.40007       5.149736      13.53143       8.239295      31.25859 8.153130 35.70148 10.70098 -4.442890      13.45305 
1 1 1 29 4  14 o 41.11890 5.889956 17.84590       4.716164      21.36691       5.805762      14.33198       7.431659      45.80610 6.337325 36.43171 9.929989 9.374393       11.77991 
1 1 1 29 4  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 4  16 o 85.92830 3.531237 75.02505       5.975791      82.10956       7.382068      67.93344       9.401155      90.19113 4.092457 81.66546 5.755895 8.525673       7.062473 
1 1 1 29 4  17 f 56.45664 4.334068 32.53210       4.901778      31.99368       6.079933      33.06344       7.686701      56.11629 5.417262 56.79699 6.766821 -0.6806984     8.668137 
1 1 1 29 4  18 o 40.97634 7.386022 17.34998       6.922991      19.53202       5.375732      15.17504       12.75922      43.71206 6.149026 38.24062 13.43141 5.471443       14.77204 
1 1 1 29 4  19 o 45.32870 5.029949 21.51568       4.416489      21.91950       5.308429      21.11895       7.059014      46.32113 5.730030 44.33628 8.268513 1.984844       10.05990 
1 1 1 29 4  20 o 36.12738 5.985803 14.45242       4.320848      10.24421       5.507504      18.66062       6.659447      30.72322 8.616745 41.53154 8.310899 -10.80832      11.97161 
1 1 1 29 4  21 o 64.08398 3.800228 42.35125       4.715455      50.00961       5.955954      34.69288       7.311223      70.20268 4.241971 57.96527 6.306554 12.23741       7.600456 
1 1 1 29 4  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 4  23 o 44.06895 4.729661 20.33257       4.222373      18.14345       4.890443      22.52168       6.884026      41.90834 5.834689 46.22955 7.445482 -4.321213      9.459323 
1 1 1 29 4  24 o 52.04554 4.389402 28.59312       4.327932      35.11087       5.281508      22.08244       6.857813      58.56961 4.508745 45.52147 7.532505 13.04814       8.778805 
1 1 1 29 4  25 o 58.61142 3.846423 36.32941       4.575181      27.52335       5.432408      45.13546       7.360813      51.46786 5.277476 65.75497 5.597154 -14.28711      7.692846 
1 1 1 29 4  26 o 63.96801 3.703871 42.57087       4.711913      43.84608       5.795844      41.30274       7.431659      65.27396 4.439630 62.66206 5.929952 2.611897       7.407742 
1 1 1 29 4  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 4  28 o 31.59943 6.414635 12.19245       4.379649      15.30256       6.203204      9.082352       6.184076      35.61788 8.757633 27.58097 9.375180 8.036903       12.82927 
1 1 1 29 4  29 o 65.85552 3.626758 46.53112       4.739542      40.21172       6.699829      52.84342       6.704788      61.06193 5.486093 70.64911 4.745133 -9.587177      7.253517 
1 1 1 29 4  30 o 68.43484 3.411700 50.22215       4.672239      53.37476       6.812472      47.07662       6.395194      70.58128 4.825976 66.28839 4.823767 4.292892       6.823399 
1 1 1 29 4  31 o 20.33189 5.869856 4.098393       3.787383      4.550386       5.676116      3.647110       5.016547      20.99329 8.557877 19.67049 8.036393 1.322802       11.73971 
1 1 1 29 4  32 o 19.10176 5.609289 3.042092       3.693159      6.328599       5.321890      -0.2435657     5.122815      22.11227 8.509804 16.09124 7.310249 6.021032       11.21858 
1 1 1 29 5  0  o 68.21428 4.427709 47.25373       5.988543      47.25373       5.988543      47.25373       5.988543      68.21428 4.427709 68.21428 4.427709 0.000000       0.000000 
1 1 1 29 5  1  o 79.60249 3.045793 63.81734       4.870606      58.97861       6.271215      68.65606       7.452912      76.60203 4.093374 82.60296 4.511287 -6.000931      6.091586 
1 1 1 29 5  2  o 67.09238 3.081998 45.30549       4.134524      47.66463       5.933284      42.95343       5.759713      68.84203 4.309348 65.34274 4.407309 3.499283       6.163996 
1 1 1 29 5  3  o 122.6210 2.367558 150.9002       5.805054      149.1999       8.203872      152.6005       8.218040      121.9280 3.364227 123.3139 3.332163 -1.385864      4.735117 
1 1 1 29 5  4  o 74.93294 2.884674 56.63363       4.310929      62.92469       6.191161      50.34258       5.999169      79.12424 3.912303 70.74164 4.240197 8.382607       5.769349 
1 1 1 29 5  5  o 66.50340 3.198354 44.72456       4.232291      39.00027       5.932575      50.44885       6.037426      62.20376 4.768663 70.80304 4.263536 -8.599281      6.396709 
1 1 1 29 5  6  o 81.21927 2.843313 66.41027       4.615563      62.37210       6.447619      70.44845       6.606313      78.73903 4.094297 83.69951 3.946447 -4.960480      5.686625 
1 1 1 29 5  7  o 37.10577 5.273783 14.53035       3.780298      13.53143       5.323307      15.53635       5.367939      35.74871 7.666825 38.46283 7.243684 -2.714119      10.54757 
1 1 1 29 5  8  o 133.5356 2.540014 179.0966       6.778466      179.5925       8.175533      178.6007       10.81806      133.8008 3.055113 133.2703 4.058691 0.5305023      5.080028 
1 1 1 29 5  9  o 138.9023 2.507127 193.8324       7.000212      185.7561       8.444746      201.9796       11.16520      136.0655 3.103192 141.7390 3.938648 -5.673523      5.014254 
1 1 1 29 5  10 o 108.3601 2.686378 118.0989       5.814972      119.1616       7.190785      116.9654       9.139028      108.9364 3.300452 107.7838 4.239518 1.152565       5.372755 
1 1 1 29 5  11 o 22.46402 6.060024 2.979748       4.004878      5.516006       4.905321      0.4431366      6.332850      24.20331 8.344483 20.72472 8.790061 3.478594       12.12005 
1 1 1 29 5  12 o 43.55180 5.009899 19.50368       4.434200      16.03226       5.219164      22.96801       7.169532      39.70617 6.572234 47.39744 7.563205 -7.691273      10.01980 
1 1 1 29 5  13 o 25.07735 6.474239 5.445160       4.365480      2.085682       5.087392      8.806056       7.098687      20.31491 8.171288 29.83981 10.04456 -9.524900      12.94848 
1 1 1 29 5  14 o 86.84144 3.621793 76.44194       6.264131      78.35477       7.559181      74.45828       9.989170      88.11585 4.289342 85.56702 5.837044 2.548828       7.243587 
1 1 1 29 5  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 5  16 o 56.53380 4.626095 32.71630       5.209246      33.75064       6.626149      31.68196       8.040927      57.57450 5.754414 55.49310 7.244980 2.081398       9.252190 
1 1 1 29 5  17 o 63.50859 3.945704 41.03353       5.026465      39.88583       6.090560      42.18830       7.998421      62.74835 4.853164 64.26883 6.222629 -1.520477      7.891407 
1 1 1 29 5  18 o 62.35996 4.667537 39.40409       5.821349      39.40409       5.821349      ?              ?             62.35996 4.667537 ?        ?        ?              ?        
1 1 1 29 5  19 o 55.20356 4.079649 31.15771       4.490876      31.82365       5.638568      30.49885       6.990294      55.93418 5.040360 54.47293 6.416300 1.461243       8.159298 
1 1 1 29 5  20 o 94.39738 2.953885 90.39845       5.632900      82.67632       6.673616      98.19141       9.075267      90.47330 3.688169 98.32145 4.615100 -7.848145      5.907770 
1 1 1 29 5  21 o 24.66175 5.872706 3.791634       4.203953      10.54176       5.250336      -2.954952      6.566639      30.99842 8.300731 18.32508 8.309788 12.67334       11.74541 
1 1 1 29 5  22 o 40.14991 7.520794 17.98050       6.670074      24.29990       7.828392      11.66112       10.80389      46.93234 8.665761 33.36749 12.29447 13.56485       15.04159 
1 1 1 29 5  23 f 66.32489 3.578810 45.14255       4.734583      45.67389       5.760421      44.61121       7.516674      66.95060 4.301993 65.69917 5.720523 1.251427       7.157621 
1 1 1 29 5  24 o 22.05176 5.995905 3.565638       3.951036      -0.6791927     4.797635      7.807138       6.279717      16.83178 7.398300 27.27174 9.437619 -10.43996      11.99181 
1 1 1 29 5  25 o 79.05209 3.221009 64.60371       5.144068      58.38351       6.125983      70.82392       8.267632      75.48318 4.057846 82.62099 5.003349 -7.137802      6.442019 
1 1 1 29 5  26 o 27.66550 6.363408 8.551013       4.357687      2.773589       5.134150      14.33198       7.042011      20.40262 8.207848 34.92838 9.726411 -14.52576      12.72682 
1 1 1 29 5  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 5  28 o 55.09705 4.715656 33.38933       5.217039      30.05961       6.791219      36.71906       7.920490      52.48592 6.469562 57.70818 6.862537 -5.222260      9.431312 
1 1 1 29 5  29 o 25.19755 6.320362 7.396237       4.032507      6.128817       5.795844      8.671450       5.608104      23.69885 8.948768 26.69625 8.927903 -2.997402      12.64072 
1 1 1 29 5  30 o 42.28426 4.916842 20.77181       4.054470      19.48242       5.785926      22.05410       5.680366      40.39627 7.440369 44.17223 6.429793 -3.775959      9.833683 
1 1 1 29 5  31 o 37.70790 5.437181 18.50476       4.126023      27.25414       6.145820      9.748297       5.507504      48.60275 6.322501 26.81304 8.847471 21.78971       10.87436 
1 1 1 29 5  32 o 18.03991 5.569071 1.867479       3.881608      0.1604643E-01  5.685325      3.719372       5.285758      16.78751 7.646410 19.29230 8.098805 -2.504786      11.13814 
1 1 1 29 6  0  o 155.2304 3.307588 241.7237       10.25838      241.7237       10.25838      241.7237       10.25838      155.2304 3.307588 155.2304 3.307588 0.000000       0.000000 
1 1 1 29 6  1  f 30.11272 5.611092 9.549930       3.568472      5.776716       5.002378      13.31889       5.089518      24.69364 8.431992 35.53181 7.405330 -10.83817      11.22218 
1 1 1 29 6  2  o 36.35863 5.166241 13.93525       3.630107      12.92216       5.032133      14.94833       5.233334      34.97713 7.418727 37.74012 7.191847 -2.762993      10.33248 
1 1 1 29 6  3  f 31.94648 5.712201 10.83931       3.666946      12.17829       5.166030      9.493254       5.204995      33.89083 7.781497 30.00213 8.364523 3.888700       11.42440 
1 1 1 29 6  4  o 113.6507 2.434335 129.7175       5.533009      131.7720       7.849646      127.6630       7.800055      114.5530 3.426206 112.7483 3.459055 1.804710       4.868670 
1 1 1 29 6  5  o 45.93336 4.919158 22.52168       4.049510      30.66179       5.119981      14.37449       6.275465      55.16000 4.641027 36.70671 8.674867 18.45329       9.838315 
1 1 1 29 6  6  o 135.6322 2.497793 184.9768       6.830184      172.7206       8.083434      197.2330       11.01642      131.2047 3.080467 140.0597 3.932760 -8.855011      4.995585 
1 1 1 29 6  7  o 18.17024 5.574379 -1.232706      3.886566      0.9904156      4.704828      -3.455828      6.186910      18.62208 7.718062 17.71841 8.045267 0.9036636      11.14876 
1 1 1 29 6  8  o 90.18655 2.952976 81.82619       5.315514      83.10139       6.556721      80.55096       8.366816      90.95770 3.604270 89.41540 4.678621 1.542297       5.905951 
1 1 1 29 6  9  o 47.23003 4.458251 22.64920       4.234416      21.57236       5.086684      23.72605       6.770674      46.18777 5.506526 48.27230 7.013001 -2.084530      8.916502 
1 1 1 29 6  10 o 67.46294 3.452115 45.95018       4.636817      47.65047       5.798677      44.25698       7.233293      68.78877 4.214843 66.13709 5.468409 2.651680       6.904230 
1 1 1 29 6  11 o 76.85948 3.213061 59.61622       4.976873      55.91101       5.931159      63.31433       7.991336      74.54282 3.978357 79.17613 5.046556 -4.633308      6.426123 
1 1 1 29 6  12 o 48.04822 5.291192 23.90316       5.260962      18.71730       5.464997      29.08903       8.990252      42.91688 6.366955 53.17956 8.452734 -10.26268      10.58238 
1 1 1 29 6  13 o 114.6745 2.968137 132.9055       6.690619      147.0746       8.225125      118.7365       10.54885      120.9596 3.399947 108.3894 4.866180 12.57021       5.936274 
1 1 1 29 6  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 6  15 o 47.27892 5.727280 23.65520       5.316930      19.85082       6.954871      27.45959       8.048012      43.04282 8.377952 51.51501 7.811328 -8.472187      11.45456 
1 1 1 29 6  16 o 82.50850 3.748024 69.16615       6.169907      72.75800       8.480167      65.56013       8.961915      84.72401 5.004583 80.29298 5.580759 4.431023       7.496047 
1 1 1 29 6  17 o 20.69662 5.870191 -3.712287      4.918072      5.869523       5.099436      -13.29764      8.409323      24.69308 8.508504 16.70016 8.089618 7.992918       11.74038 
1 1 1 29 6  18 o 95.97724 2.936886 93.30310       5.683908      86.21858       6.861355      100.3168       9.061099      92.45003 3.710846 99.50446 4.553112 -7.054428      5.873773 
1 1 1 29 6  19 o 82.71903 3.792850 69.87460       6.128817      75.73349       6.502879      64.03696       10.39299      86.60038 3.754533 78.83768 6.591383 7.762695       7.585700 
1 1 1 29 6  20 o 36.96446 5.629873 14.77122       4.225915      21.67154       5.352353      7.877984       6.541844      45.95812 5.823077 27.97080 9.637096 17.98732       11.25975 
1 1 1 29 6  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 6  22 o 63.17193 3.856439 41.11146       4.800469      44.46952       5.847561      37.75340       7.615856      66.05895 4.426017 60.28490 6.316554 5.774052       7.712878 
1 1 1 29 6  23 o 57.47162 3.966290 34.18988       4.564555      33.48852       5.601020      34.88417       7.212039      57.11330 4.903429 57.82993 6.235559 -0.7166252     7.932579 
1 1 1 29 6  24 o 57.28179 4.003722 34.16154       4.488750      38.10762       5.529466      30.21547       7.073183      60.98170 4.533709 53.58187 6.600351 7.399834       8.007443 
1 1 1 29 6  25 o 66.24335 3.690744 45.74473       4.879816      45.71639       5.803638      45.77307       7.849646      66.63379 4.354875 65.85290 5.959986 0.7808914      7.381488 
1 1 1 29 6  26 o 62.47145 3.897853 40.91309       4.883358      39.46785       5.946744      42.35125       7.750463      61.70645 4.818576 63.23645 6.128161 -1.529995      7.795706 
1 1 1 29 6  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 6  28 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 6  29 o 65.74049 3.545041 46.14855       4.695619      42.28040       5.739877      50.01670       7.431659      63.35078 4.530233 68.13020 5.454012 -4.779415      7.090082 
1 1 1 29 6  30 o 51.80873 4.207366 29.93917       4.349894      28.57895       6.275465      31.29940       6.024674      50.37494 6.228758 53.24252 5.657765 -2.867580      8.414733 
1 1 1 29 6  31 o 42.78339 5.064760 22.33040       4.110437      17.25080       5.905654      27.40292       5.719331      36.41361 8.292142 49.15316 5.817867 -12.73955      10.12952 
1 1 1 29 6  32 o 23.12951 6.156724 7.452912       4.011254      4.864230       5.722165      10.03876       5.622273      20.32739 8.473592 25.93163 8.934163 -5.604244      12.31345 
1 1 1 29 7  0  o 109.3287 3.497353 120.1534       7.630026      120.1534       7.630026      120.1534       7.630026      109.3287 3.497353 109.3287 3.497353 0.000000       0.000000 
1 1 1 29 7  1  o 66.80963 3.429595 45.01502       4.594310      44.16489       5.523090      45.86517       7.339560      66.25145 4.168279 67.36782 5.447379 -1.116371      6.859190 
1 1 1 29 7  2  o 90.12290 2.816471 81.68449       5.068973      82.25125       6.104729      81.11773       8.097604      90.50783 3.372487 89.73798 4.511804 0.7698517      5.632943 
1 1 1 29 7  3  o 53.77739 3.956822 29.25906       4.226623      30.62637       5.214913      27.89175       6.653071      55.11994 4.730515 52.43485 6.344131 2.685089       7.913644 
1 1 1 29 7  4  o 60.00635 3.623565 36.40734       4.389567      33.33974       5.248919      39.48202       7.037052      57.52853 4.562014 62.48416 5.631069 -4.955631      7.247131 
1 1 1 29 7  5  o 73.84438 3.224308 54.94043       4.733875      57.08704       5.755462      52.79383       7.516674      75.36625 3.818329 72.32251 5.196635 3.043739       6.448617 
1 1 1 29 7  6  o 78.73221 3.061509 62.91760       4.917363      51.61780       5.613772      74.17490       8.076350      71.66003 3.916948 85.80438 4.706257 -14.14436      6.123017 
1 1 1 29 7  7  o 107.3182 2.714462 115.7610       5.793010      120.2951       7.105771      111.2978       9.153197      109.4809 3.245211 105.1555 4.352219 4.325363       5.428923 
1 1 1 29 7  8  o 166.6430 2.509654 279.4134       8.451830      257.9473       9.826226      300.8795       13.75105      160.3302 3.064373 172.9558 3.975307 -12.62564      5.019308 
1 1 1 29 7  9  o 70.24335 3.388701 49.94585       4.813221      44.44827       5.783801      55.43635       7.693786      66.42263 4.353788 74.06408 5.194007 -7.641449      6.777402 
1 1 1 29 7  10 f 21.94761 5.800404 2.001376       3.993543      -4.974748      4.852895      8.976085       6.344185      14.24263 6.682776 29.65260 9.482576 -15.40998      11.60081 
1 1 1 29 7  11 o 86.55338 3.101852 75.52096       5.375732      74.74166       6.514922      76.22942       8.551013      86.21098 3.778476 86.89576 4.920271 -0.6847763     6.203704 
1 1 1 29 7  12 o 79.71405 3.985248 64.45494       6.248545      68.52146       6.695578      60.38843       10.55593      82.48788 4.058522 76.94022 6.859827 5.547661       7.970497 
1 1 1 29 7  13 o 49.63946 16.79399 27.79256       19.84373      27.79256       19.84373      ?              ?             49.63946 16.79399 ?        ?        ?              ?        
1 1 1 29 7  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 7  15 o 51.70982 4.809062 27.57294       5.048427      23.52768       5.940369      31.62529       8.161365      48.00295 6.187503 55.41670 7.363633 -7.413754      9.618123 
1 1 1 29 7  16 o 38.92774 6.394779 16.42191       4.923031      15.94725       6.125274      16.88949       7.707955      38.53923 8.192831 39.31625 9.820911 -0.7770233     12.78956 
1 1 1 29 7  17 o 77.16515 3.943290 60.66473       6.016881      63.02387       6.375357      58.30558       10.20879      79.00270 4.034899 75.32759 6.776262 3.675110       7.886580 
1 1 1 29 7  18 o 40.89912 5.328749 18.00884       4.331474      12.78047       5.222707      23.23722       6.911656      34.42382 7.769778 47.37443 7.294711 -12.95061      10.65750 
1 1 1 29 7  19 o 59.78061 4.766941 36.98827       5.494752      41.19647       5.671157      32.77298       9.415324      63.73014 4.449352 55.83108 8.431973 7.899055       9.533882 
1 1 1 29 7  20 o 30.83881 6.356849 10.35756       4.212454      10.18754       5.134150      10.52759       6.679992      30.54604 8.221405 31.13158 9.697763 -0.5855446     12.71370 
1 1 1 29 7  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 7  22 o 27.66806 6.412232 8.154280       4.291801      3.821389       5.192243      12.49000       6.835852      21.94446 8.415922 33.39165 9.676733 -11.44720      12.82446 
1 1 1 29 7  23 o 78.23748 3.273903 62.76174       5.145485      60.20423       6.228708      65.31217       8.189702      76.86615 4.051659 79.60881 5.143717 -2.742661      6.547806 
1 1 1 29 7  24 o 64.65977 3.678601 43.31474       4.760087      42.66296       5.752628      43.96651       7.587519      64.47009 4.461472 64.84946 5.850101 -0.3793793     7.357202 
1 1 1 29 7  25 o 36.22972 5.937387 15.03335       4.249294      14.45950       5.335350      15.60719       6.614814      35.86521 7.662464 36.59424 9.071762 -0.7290268     11.87477 
1 1 1 29 7  26 o 31.91357 12.53576 15.09711       11.67529      15.09711       11.67529      ?              ?             31.91357 12.53576 ?        ?        ?              ?        
1 1 1 29 7  27 o 16.34008 5.349594 -2.747376      4.238667      -1.140607      5.316930      -4.354145      6.602063      16.37476 7.441292 16.30540 7.687639 0.6936646E-01  10.69919 
1 1 1 29 7  28 o 16.45014 7.846368 -5.941077      7.112856      -5.941077      7.112856      ?              ?             16.45014 7.846368 ?        ?        ?              ?        
1 1 1 29 7  29 o 31.77284 5.229329 12.42624       4.128149      0.8239294      5.104395      24.02360       6.488710      17.68506 7.703028 45.86061 7.074382 -28.17556      10.45866 
1 1 1 29 7  30 o 22.78785 6.086630 6.247128       3.852561      3.808637       4.787009      8.685618       6.038135      19.84440 7.949447 25.73130 9.219250 -5.886902      12.17326 
1 1 1 29 7  31 o 32.02905 6.201318 14.22571       4.277632      18.65354       6.096936      9.797889       6.002712      37.74769 8.300782 26.31041 9.215334 11.43728       12.40264 
1 1 1 29 8  0  o 140.3638 3.474711 197.7997       9.741212      197.7997       9.741212      197.7997       9.741212      140.3638 3.474711 140.3638 3.474711 0.000000       0.000000 
1 1 1 29 8  1  o 143.9323 2.445961 208.0014       7.041303      206.9388       9.982086      209.1350       9.932493      143.5493 3.476884 144.3153 3.441249 -0.7659454     4.891923 
1 1 1 29 8  2  o 42.10807 5.076075 18.34182       4.177032      19.86499       5.957372      16.82573       5.856062      44.22242 6.735692 39.99372 7.595829 4.228695       10.15215 
1 1 1 29 8  3  o 78.75403 3.078239 62.45711       4.848644      59.63039       6.730292      65.28384       6.981792      76.96877 4.372093 80.53929 4.334402 -3.570526      6.156479 
1 1 1 29 8  4  o 137.2976 2.515166 189.3692       6.874816      196.0995       8.558097      182.6389       10.76138      139.8142 3.060526 134.7811 3.992170 5.033066       5.030332 
1 1 1 29 8  5  o 54.82909 4.010776 30.41383       4.424990      28.79856       5.333934      32.02911       7.061139      53.43891 4.990684 56.21928 6.279998 -2.780365      8.021552 
1 1 1 29 8  6  o 22.76690 5.963798 2.634023       4.062971      6.668657       4.687117      -1.400609      6.638193      25.68219 8.144339 19.85161 8.714201 5.830584       11.92760 
1 1 1 29 8  7  o 33.92698 6.021943 12.36957       4.154361      10.29380       4.789134      14.45242       6.789802      31.12935 7.720225 36.72461 9.244095 -5.595255      12.04389 
1 1 1 29 8  8  o 16.21245 5.287136 -4.320138      3.990709      -7.580434      4.805429      -1.061969      6.373232      12.79147 6.181963 19.63342 8.578960 -6.841950      10.57427 
1 1 1 29 8  9  o 58.38795 4.052475 34.60787       4.655945      38.00844       5.720040      31.20730       7.346645      61.38948 4.658811 55.38641 6.632173 6.003075       8.104951 
1 1 1 29 8  10 o 40.63459 5.701468 17.35707       4.483083      21.01268       5.486251      13.70146       7.091603      45.51590 6.026741 35.75328 9.680151 9.762619       11.40294 
1 1 1 29 8  11 o 116.5051 2.816592 136.8729       6.627566      125.6794       7.828392      148.0664       10.69762      111.8205 3.500428 121.1896 4.413588 -9.369133      5.633183 
1 1 1 29 8  12 o 43.70235 5.912539 20.80014       5.187284      12.98592       6.030342      28.60728       8.444746      34.73470 8.692853 52.66999 8.016657 -17.93529      11.82508 
1 1 1 29 8  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 8  14 o 69.73223 4.668538 50.24340       6.435576      40.77140       8.983169      59.72248       9.216957      62.95940 7.134097 76.50506 6.023757 -13.54566      9.337076 
1 1 1 29 8  15 o 38.89340 5.938818 16.00393       4.585100      18.83065       5.558513      13.17720       7.289969      42.90787 6.477264 34.87893 9.956069 8.028938       11.87764 
1 1 1 29 8  16 o 51.12945 4.580843 26.80073       4.712621      25.15004       5.744127      28.45142       7.474166      49.67563 5.781634 52.58327 7.106982 -2.907639      9.161686 
1 1 1 29 8  17 o 48.10550 5.125578 24.35657       4.646027      28.07594       5.714372      20.63720       7.325392      52.49437 5.442843 43.71663 8.686867 8.777733       10.25116 
1 1 1 29 8  18 o 50.68580 4.536940 27.07702       4.650986      18.75272       5.493335      35.40842       7.509589      42.69516 6.433207 58.67645 6.399151 -15.98129      9.073879 
1 1 1 29 8  19 o 111.5042 3.239468 126.3170       7.233293      124.8292       7.658363      127.8047       12.27038      111.2280 3.442642 111.7804 5.488609 -0.5524521     6.478936 
1 1 1 29 8  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 8  21 o 38.67399 5.676388 17.00284       4.473165      8.834394       5.433117      25.16421       7.105771      28.45770 8.722119 48.89028 7.267060 -20.43258      11.35278 
1 1 1 29 8  22 o 27.24747 5.937537 6.997378       4.067930      12.03660       5.098019      1.956744       6.339935      33.03373 7.826485 21.46122 8.931043 11.57251       11.87507 
1 1 1 29 8  23 o 73.18037 3.423187 55.01128       5.004504      55.09629       6.033884      54.92627       7.984251      73.51012 4.104118 72.85063 5.479878 0.6594925      6.846375 
1 1 1 29 8  24 o 20.49409 6.005860 2.342850       4.062971      1.241916       4.825974      3.444493       6.536885      18.41092 7.734130 22.57725 9.190465 -4.166330      12.01172 
1 1 1 29 8  25 o 39.87094 5.512204 17.54835       4.289676      18.60394       5.310555      16.49984       6.738793      41.94177 6.330866 37.80012 9.025393 4.141647       11.02441 
1 1 1 29 8  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 8  27 o 19.49241 5.933728 1.326222       4.201119      0.9705790      5.294260      1.682573       6.524841      18.45381 7.938271 20.53101 8.821585 -2.077202      11.86746 
1 1 1 29 8  28 o 34.08633 5.995850 14.16904       4.133816      15.20337       5.134150      13.14178       6.479500      36.08897 7.368107 32.08370 9.461070 4.005272       11.99170 
1 1 1 29 8  29 o 58.85810 3.927941 37.94468       4.631149      36.69780       5.846852      39.19156       7.183701      58.36802 5.008610 59.34819 6.052165 -0.9801712     7.855882 
1 1 1 29 8  30 o 42.58070 5.257665 22.09661       4.235125      26.53152       5.574807      17.66170       6.376774      48.62859 5.732027 36.53281 8.815670 12.09578       10.51533 
1 1 1 29 8  31 o 24.69601 5.930618 7.382068       4.101227      12.46167       5.207829      2.303177       6.337809      30.30028 8.336457 19.09174 8.437558 11.20855       11.86124 
1 1 1 29 9  0  o 40.28209 7.976984 18.10803       5.720748      18.10803       5.720748      18.10803       5.720748      40.28209 7.976984 40.28209 7.976984 0.000000       0.000000 
1 1 1 29 9  1  f 40.03442 5.148958 16.59194       4.028256      15.56469       5.747669      17.62628       5.646361      38.40725 7.754138 41.66158 6.776460 -3.254326      10.29792 
1 1 1 29 9  2  o 68.13945 3.360965 46.78616       4.580141      46.66572       6.419991      46.90659       6.534760      68.05571 4.716717 68.22320 4.789251 -0.1674881     6.721930 
1 1 1 29 9  3  o 79.30694 3.109330 63.48437       4.928699      70.12965       7.176617      56.84617       6.752962      83.47829 4.298493 75.13559 4.493851 8.342697       6.218660 
1 1 1 29 9  4  o 112.6488 2.619032 127.5922       5.899987      121.2869       8.225125      133.8974       8.458915      109.8578 3.743532 115.4397 3.663779 -5.581902      5.238063 
1 1 1 29 9  5  o 42.44351 5.087286 18.75272       4.184825      15.81973       5.874482      21.69279       5.961622      38.66644 7.869627 46.22058 6.449098 -7.554146      10.17457 
1 1 1 29 9  6  o 58.26902 3.824557 34.46618       4.442701      38.74523       6.415740      30.19422       6.147236      61.92373 5.180357 54.61431 5.627863 7.309418       7.649113 
1 1 1 29 9  7  o 40.04673 5.422530 16.93908       4.182700      17.84590       5.923365      16.03226       5.907071      41.18642 7.465598 38.90703 7.866395 2.279396       10.84506 
1 1 1 29 9  8  o 65.15677 3.644993 42.93218       4.741668      45.56762       6.671490      40.30382       6.739501      67.17987 4.965394 63.13367 5.337486 4.046200       7.289987 
1 1 1 29 9  9  o 183.4322 2.548140 338.2857       9.351563      327.3047       13.04260      349.2667       13.39682      180.4516 3.613877 186.4128 3.593321 -5.961243      5.096280 
1 1 1 29 9  10 o 119.2316 2.647111 143.0364       6.315848      141.5487       8.097604      144.4533       9.698705      118.6852 3.411380 119.7781 4.048615 -1.092903      5.294223 
1 1 1 29 9  11 o 102.7550 3.487206 107.3305       7.353730      93.44479       7.459997      121.1453       12.66712      96.32117 3.872460 109.1888 5.800560 -12.86758      6.974413 
1 1 1 29 9  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 9  13 o 58.61163 4.690184 35.21006       5.481292      35.50760       6.304513      34.91250       8.969000      59.11223 5.332664 58.11103 7.717123 1.001202       9.380367 
1 1 1 29 9  14 o 39.51549 6.591942 16.99576       5.153986      15.57177       6.624024      18.41975       7.899237      37.93821 8.878302 41.09277 9.746309 -3.154560      13.18388 
1 1 1 29 9  15 o 97.92892 3.116759 97.19958       6.000587      107.5430       7.431659      86.85619       9.422408      103.3298 3.596087 92.52805 5.091650 10.80176       6.233518 
1 1 1 29 9  16 o 98.52887 3.462691 98.54564       6.865606      95.14508       7.268716      101.9462       11.64695      97.12574 3.741910 99.93200 5.827436 -2.806259      6.925381 
1 1 1 29 9  17 o 60.57673 4.078505 37.52669       4.952078      36.43568       6.338518      38.61771       7.608772      59.79926 5.299830 61.35421 6.200694 -1.554947      8.157009 
1 1 1 29 9  18 o 55.91475 4.078237 32.03619       4.522757      33.69397       5.559929      30.37841       7.134109      57.55979 4.829700 54.26971 6.572828 3.290081       8.156474 
1 1 1 29 9  19 o 46.81432 4.715478 22.93967       4.462538      18.51184       5.458621      27.36749       7.061139      42.30594 6.451365 51.32270 6.879158 -9.016758      9.430957 
1 1 1 29 9  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 9  21 o 20.74477 5.726347 0.5302762      4.043134      6.259880       4.952078      -5.199328      6.392360      24.78396 8.389497 16.70558 7.796188 8.078379       11.45269 
1 1 1 29 9  22 o 14.10748 4.792616 -7.212039      3.934033      -5.944619      4.862104      -8.480167      6.186910      13.49790 6.449858 14.71706 7.090557 -1.219163      9.585232 
1 1 1 29 9  23 o 56.67459 4.302854 34.03402       4.637525      42.20956       5.881567      25.86557       7.169532      64.11926 4.586428 49.22993 7.281681 14.88932       8.605707 
1 1 1 29 9  24 o 27.58510 6.186550 8.246379       4.037467      10.32923       4.919489      6.167781       6.402987      30.10706 8.022676 25.06315 9.419674 5.043915       12.37310 
1 1 1 29 9  25 o 19.99687 5.809678 -0.2943617     4.318014      5.718623       5.384233      -6.307346      6.752962      23.69307 8.684157 16.30067 7.719770 7.392403       11.61936 
1 1 1 29 9  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 9  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 9  28 o 21.85305 6.080760 4.274798       4.125315      -0.2543342     5.076057      8.806056       6.504296      16.91042 7.502332 26.79569 9.571708 -9.885275      12.16152 
1 1 1 29 9  29 o 32.25188 5.736507 12.17120       4.624065      19.70204       5.213497      4.637525       7.637110      41.84084 6.230153 22.66292 9.634068 19.17793       11.47301 
1 1 1 29 9  30 o 21.26346 5.942078 3.222747       4.391693      8.118857       5.136275      -1.673363      7.127024      24.76929 8.538756 17.75762 8.265760 7.011675       11.88416 
1 1 1 29 9  31 o 13.96472 4.849687 -7.197870      4.625482      -6.036717      5.028590      -8.352647      7.764632      12.68552 6.177504 15.24393 7.477720 -2.558407      9.699373 
1 1 1 29 10 0  o 11.26076 7.711437 -2.697784      5.229791      -2.697784      5.229791      -2.697784      5.229791      11.26076 7.711437 11.26076 7.711437 0.000000       0.000000 
1 1 1 29 10 1  o 25.25248 5.893622 4.807554       4.043134      11.37065       5.839059      -1.752710      5.593935      32.68880 8.753920 17.81615 7.893543 14.87265       11.78724 
1 1 1 29 10 2  o 86.40171 2.947028 75.16674       5.093060      72.33293       7.037052      78.00054       7.367898      84.77477 4.150440 88.02866 4.184943 -3.253891      5.894056 
1 1 1 29 10 3  o 46.10069 5.013323 22.60670       4.354853      15.11128       5.993503      30.10212       6.320098      37.68672 8.181193 54.51466 5.796697 -16.82793      10.02665 
1 1 1 29 10 4  o 65.14690 3.620944 43.08095       4.689242      49.03904       6.696995      37.12288       6.566639      69.71320 4.803248 60.58059 5.419755 9.132607       7.241888 
1 1 1 29 10 5  o 92.11929 2.964862 85.58098       5.455079      92.31127       7.828392      78.85069       7.601687      95.76293 4.087381 88.47564 4.295921 7.287292       5.929724 
1 1 1 29 10 6  o 22.95885 6.308843 3.557845       4.157903      3.688200       5.869523      3.427490       5.890069      23.08020 8.925563 22.83749 8.918539 0.2427101      12.61769 
1 1 1 29 10 7  o 40.04651 5.605514 17.13037       4.393109      11.31397       6.021132      22.95384       6.398736      32.60253 8.961129 47.49048 6.736862 -14.88795      11.21103 
1 1 1 29 10 8  o 28.75084 6.498408 8.260548       4.330057      11.05185       6.201078      5.470665       6.045219      32.26444 9.173754 25.23725 9.206491 7.027189       12.99682 
1 1 1 29 10 9  o 29.90629 6.608569 9.167366       4.445535      10.98100       6.162822      7.353730       6.409364      32.12746 9.148803 27.68512 9.538981 4.442333       13.21714 
1 1 1 29 10 10 o 41.89436 6.391779 18.95109       5.209954      16.86824       7.003754      21.02685       7.715039      39.54465 9.047409 44.24408 9.031264 -4.699425      12.78356 
1 1 1 29 10 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 10 12 o 99.94798 3.208994 101.3086       6.422824      91.46112       8.628942      111.1561       9.514507      95.07894 4.537778 104.8170 4.538628 -9.738068      6.417988 
1 1 1 29 10 13 o 41.22387 6.097540 18.61811       5.242543      6.337809       7.665448      30.89558       7.155363      27.49447 10.31187 54.95327 6.510406 -27.45881      12.19508 
1 1 1 29 10 14 o 19.15203 5.882389 -0.8912323     4.250002      0.9068182      5.780259      -2.689283      6.232251      20.15090 8.464665 18.15317 8.170644 1.997730       11.76478 
1 1 1 29 10 15 f 72.43015 3.527364 53.29683       5.110063      50.05212       7.066098      56.53445       7.382068      70.21633 5.031663 74.64397 4.944852 -4.427635      7.054729 
1 1 1 29 10 16 o 31.65067 6.870939 10.76847       4.778507      10.02459       6.233667      11.51943       7.247461      30.60625 9.334972 32.69508 10.08452 -2.088827      13.74188 
1 1 1 29 10 17 o 127.6577 3.283736 165.4235       8.359732      163.2981       13.51726      167.6197       9.840395      126.5128 5.342249 128.8025 3.819954 -2.289696      6.567471 
1 1 1 29 10 18 o 25.12217 6.356034 5.366522       4.274089      9.124859       6.032466      1.609602       6.056554      29.23945 9.236179 21.00488 8.734396 8.234577       12.71207 
1 1 1 29 10 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 10 20 o 53.80317 4.371871 30.08795       4.696327      32.70213       6.740918      27.48084       6.541844      56.19902 5.997364 51.40731 6.362757 4.791702       8.743743 
1 1 1 29 10 21 o 45.53261 4.949420 21.83448       4.495126      20.39633       6.424241      23.26556       6.290343      43.93242 7.311504 47.13280 6.673001 -3.200378      9.898840 
1 1 1 29 10 22 o 49.50294 4.866442 26.17021       4.813930      31.99368       7.346645      20.35382       6.224457      55.15757 6.659689 43.84831 7.097717 11.30926       9.732884 
1 1 1 29 10 23 o 22.36077 5.923961 3.079640       4.051636      8.770633       5.761838      -2.612062      5.696661      27.93049 9.047454 16.79105 7.649629 11.13945       11.84792 
1 1 1 29 10 24 o 49.23649 4.568708 25.84432       4.467497      29.80457       6.424241      21.88408       6.209579      53.20832 6.036876 45.26466 6.859192 7.943665       9.137417 
1 1 1 29 10 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 10 26 o 44.34149 5.600026 22.86174       4.785592      18.15762       6.771382      27.56586       6.764297      38.69488 8.925450 49.98810 6.765908 -11.29322      11.20005 
1 1 1 29 10 27 o 82.08194 3.755204 72.68716       6.091268      81.75533       8.331393      63.57646       8.891070      87.81503 4.743717 76.34885 5.822661 11.46617       7.510408 
1 1 1 29 10 28 o 36.89073 6.019034 17.04535       4.617689      23.10261       6.248545      10.99517       6.800429      44.97290 6.947011 28.80856 9.831283 16.16434       12.03807 
1 1 1 29 10 29 o 65.46935 3.945226 47.55128       5.162488      48.25973       7.098687      46.84283       7.495420      66.20473 5.361163 64.73397 5.789402 1.470764       7.890452 
1 1 1 29 10 30 o 34.85576 6.412719 16.99576       4.619106      20.63012       6.468873      13.36848       6.594269      39.57447 8.424323 30.13705 9.670710 9.437422       12.82544 
1 1 1 29 11 0  o 96.19482 4.178076 93.37395       8.005506      93.37395       8.005506      93.37395       8.005506      96.19482 4.178076 96.19482 4.178076 0.000000       0.000000 
1 1 1 29 11 1  o 45.37223 5.084696 21.56527       4.432783      16.85407       6.167073      26.26939       6.368981      39.88341 8.013391 50.86104 6.261159 -10.97763      10.16939 
1 1 1 29 11 2  o 56.56062 4.038912 32.55336       4.541884      36.95993       6.477375      28.13970       6.368274      60.45308 5.357358 52.66817 6.045657 7.784908       8.077825 
1 1 1 29 11 3  o 85.78552 3.089125 74.17490       5.294969      77.22124       7.438744      71.12856       7.537927      87.56534 4.247540 84.00571 4.486557 3.559631       6.178251 
1 1 1 29 11 4  o 49.39553 4.581406 24.88083       4.514255      22.08244       6.256337      27.67213       6.509255      46.58249 6.715333 52.20858 6.233894 -5.626095      9.162812 
1 1 1 29 11 5  o 78.64836 3.352046 62.40044       5.271589      62.08163       7.360813      62.71924       7.552096      78.45456 4.691132 78.84216 4.789377 -0.3875961     6.704093 
1 1 1 29 11 6  o 64.52408 3.820695 42.13871       4.932241      40.44551       6.784843      43.82483       7.162447      63.23509 5.364777 65.81307 5.441508 -2.577980      7.641390 
1 1 1 29 11 7  o 24.84565 6.034451 3.465038       4.383191      11.30689       6.215956      -4.375398      6.181242      32.58254 9.159363 17.10875 7.859039 15.47379       12.06890 
1 1 1 29 11 8  o 46.83355 5.241096 22.50751       4.906737      21.00560       6.816723      24.00943       7.059014      45.25053 7.532202 48.41657 7.289875 -3.166035      10.48219 
1 1 1 29 11 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 11 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 11 11 o 144.1409 2.754215 209.5600       7.941744      206.6554       11.09435      212.4647       11.36357      143.1481 3.875131 145.1336 3.914864 -1.985474      5.508430 
1 1 1 29 11 12 o 55.21674 4.665697 31.58278       5.087392      24.64704       6.981084      38.51852       7.403321      48.97367 7.127386 61.45981 6.022897 -12.48614      9.331393 
1 1 1 29 11 13 o 43.31614 6.126630 20.26880       5.239001      26.29773       7.877984      14.24696       6.905988      50.43811 7.809555 36.19416 9.442101 14.24396       12.25326 
1 1 1 29 11 14 o 70.94989 3.689252 51.39109       5.200036      58.46852       7.389152      44.31366       7.318307      75.93206 4.865634 65.96773 5.546884 9.964333       7.378504 
1 1 1 29 11 15 f 79.02989 3.602624 63.56938       5.661238      67.64297       7.530843      59.49578       8.458915      81.68339 4.609776 76.37639 5.537650 5.306999       7.205248 
1 1 1 29 11 16 o 57.57714 4.100291 33.93484       4.721831      32.95718       6.597811      34.91959       6.756505      56.74116 5.813955 58.41312 5.783379 -1.671963      8.200583 
1 1 1 29 11 17 o 51.34549 4.968883 27.35332       5.083850      26.43942       7.722124      28.26723       6.614106      50.30905 7.674688 52.38193 6.313346 -2.072884      9.937766 
1 1 1 29 11 18 o 31.94851 7.871669 10.36465       6.558138      3.188033       8.267632      17.54127       10.18045      24.88100 10.26626 39.01601 11.93552 -14.13501      15.74334 
1 1 1 29 11 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 11 20 o 53.54678 4.890288 30.34299       5.259546      24.10861       6.671490      36.57028       8.133026      47.97635 6.952895 59.11721 6.878730 -11.14086      9.780576 
1 1 1 29 11 21 o 34.04285 6.026793 13.12761       4.395943      19.90041       6.360480      6.356938       6.069307      42.60847 7.750275 25.47722 9.231586 17.13125       12.05359 
1 1 1 29 11 22 o 31.16046 6.682668 10.98809       4.610604      8.855647       6.738085      13.12761       6.296011      28.50005 9.784322 33.82088 9.104903 -5.320829      13.36534 
1 1 1 29 11 23 o 20.12686 5.917315 1.061969       4.162862      5.112188       6.026091      -2.988958      5.745543      23.65685 9.068314 16.59688 7.604219 7.059971       11.83463 
1 1 1 29 11 24 o 37.44815 6.387339 16.63445       4.736000      15.96142       6.615522      17.30748       6.779175      36.65201 9.063790 38.24430 9.002227 -1.592289      12.77468 
1 1 1 29 11 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 11 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 11 27 o 29.15069 6.869767 10.81806       4.796218      7.445828       6.389527      14.19029       7.155363      25.33519 9.431894 32.96619 9.990703 -7.630993      13.73953 
1 1 1 29 11 28 o 29.19075 6.555521 11.15812       4.488042      14.38157       6.150779      7.934660       6.538302      33.18792 9.028453 25.19358 9.507180 7.994339       13.11104 
1 1 1 29 11 29 o 20.76485 6.048385 4.238667       4.099811      3.062637       6.035301      5.414697       5.551428      19.83308 8.501665 21.69662 8.605436 -1.863531      12.09677 
1 1 1 29 11 30 o 36.20500 6.088541 18.07261       4.357687      20.17671       6.427074      15.97559       5.886526      38.47268 8.574580 33.93732 8.646265 4.535358       12.17708 
1 1 1 29 12 0  o 142.7117 3.656501 204.6009       10.42133      204.6009       10.42133      204.6009       10.42133      142.7117 3.656501 142.7117 3.656501 0.000000       0.000000 
1 1 1 29 12 1  o 25.01658 6.513482 5.229083       4.299594      4.717580       6.106146      5.740584       6.054429      24.47273 9.198544 25.56044 9.224346 -1.087711      13.02696 
1 1 1 29 12 2  o 43.09135 5.455107 19.58869       4.544010      14.91999       6.305930      24.25031       6.543260      37.37014 8.608725 48.81256 6.702435 -11.44242      10.91021 
1 1 1 29 12 3  o 150.3697 2.606899 227.3422       7.842561      228.1923       11.07310      226.4920       11.10144      150.6534 3.675026 150.0859 3.698361 0.5674438      5.213798 
1 1 1 29 12 4  o 26.67607 6.656045 6.482334       4.457579      7.729208       6.173449      5.234750       6.432034      27.99232 9.367105 25.35982 9.458810 2.632509       13.31209 
1 1 1 29 12 5  o 19.91845 6.037361 -1.327639      4.523465      -5.856771      6.303096      3.201494       6.490835      16.48152 7.710968 23.35538 9.291925 -6.873861      12.07472 
1 1 1 29 12 6  o 162.3635 2.682516 265.5277       8.706873      253.5549       12.13578      277.4297       12.49709      158.7030 3.823423 166.0239 3.763641 -7.320862      5.365031 
1 1 1 29 12 7  o 81.42105 5.909831 68.95361       9.634944      78.07139       14.40283      59.80750       12.80172      86.85963 8.290863 75.98246 8.424131 10.87717       11.81966 
1 1 1 29 12 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 12 9  o 25.96670 8.188998 -7.452912      9.294888      3.925531       12.53960      -18.83065      13.72271      30.10338 12.54597 21.83002 10.52793 8.273361       16.37800 
1 1 1 29 12 10 o 116.7612 3.027722 137.7230       7.071057      136.8020       9.486169      138.6440       10.49217      116.4266 4.073883 117.0958 4.480165 -0.6691742     6.055444 
1 1 1 29 12 11 o 61.55614 4.241597 38.98610       5.158946      31.46235       7.190785      46.50986       7.403321      55.46196 6.482629 67.65034 5.471755 -12.18838      8.483194 
1 1 1 29 12 12 o 20.20291 6.135103 -0.2192658     4.501503      1.319846       6.206038      -1.758377      6.523424      21.14460 8.820079 19.26121 8.530191 1.883390       12.27021 
1 1 1 29 12 13 o 106.8885 2.922236 115.4776       6.244294      120.7202       8.905238      110.2351       8.756464      109.3316 4.072581 104.4453 4.191889 4.886292       5.844472 
1 1 1 29 12 14 o 80.79605 3.366709 66.35359       5.429574      71.41194       7.722124      61.25983       7.637110      83.93076 4.600294 77.66133 4.916932 6.269432       6.733419 
1 1 1 29 12 15 o 31.15378 6.894721 8.862731       5.474916      13.94233       6.004128      3.785258       9.160281      35.76991 8.505628 26.53765 10.85371 9.232264       13.78944 
1 1 1 29 12 16 o 50.88964 4.596919 27.09119       4.619813      20.63012       6.254921      33.55228       6.800429      44.60700 7.011143 57.17229 5.947312 -12.56529      9.193837 
1 1 1 29 12 17 o 60.30735 4.094952 37.51252       4.923739      41.35941       7.033509      33.65854       6.892527      63.48227 5.539743 57.13244 6.032062 6.349831       8.189904 
1 1 1 29 12 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 12 19 o 49.38031 4.677979 25.40508       4.621231      25.77348       6.737377      25.03669       6.327891      49.68866 6.779593 49.07197 6.447563 0.6166878      9.355957 
1 1 1 29 12 20 o 26.20115 6.738209 6.724624       4.585808      6.910239       6.177700      6.539010       6.779175      26.19829 9.331303 26.20400 9.723200 -0.5714417E-02 13.47642 
1 1 1 29 12 21 o 27.57911 6.544371 8.069265       4.343518      10.47800       6.198245      5.656280       6.087018      30.50260 9.309416 24.65563 9.200540 5.846975       13.08874 
1 1 1 29 12 22 o 36.05079 6.278902 15.11128       4.703412      20.49551       6.345603      9.727042       6.944245      42.85875 7.681159 29.24282 9.934698 13.61592       12.55780 
1 1 1 29 12 23 o 58.22163 4.663188 36.02477       5.388484      38.04386       6.966206      34.01277       8.225125      60.24796 5.781280 56.19529 7.318340 4.052670       9.326376 
1 1 1 29 12 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 12 25 o 65.90004 4.382724 47.04120       5.742710      49.28699       7.559181      44.79541       8.650196      67.96700 5.560920 63.83309 6.775637 4.133907       8.765449 
1 1 1 29 12 26 o 30.21834 7.057667 11.93033       4.966247      11.56902       6.592852      12.29164       7.431659      29.95002 9.675584 30.48665 10.27744 -0.5366249     14.11533 
1 1 1 29 12 27 f 26.85364 6.352880 8.600604       4.408695      3.603186       6.347728      13.60227       6.118898      21.23649 8.893226 32.47080 9.074516 -11.23431      12.70576 
1 1 1 29 12 28 o 24.19838 6.595411 7.396237       4.534091      9.386987       7.021466      5.413280       5.739168      26.32777 9.870215 22.06898 8.750807 4.258789       13.19082 
1 1 1 29 12 29 o 26.55163 6.577026 10.15920       4.407987      13.75105       6.845061      6.565931       5.554970      30.41143 9.862320 22.69182 8.704236 7.719608       13.15405 
1 1 1 29 13 0  o 14.14000 9.340025 -0.7112856     6.553179      -0.7112856     6.553179      -0.7112856     6.553179      14.14000 9.340025 14.14000 9.340025 0.000000       0.000000 
1 1 1 29 13 1  o 17.24704 5.617786 -5.503962      4.586517      -1.700993      6.554596      -9.309056      6.416448      19.43443 8.585907 15.05964 7.247089 4.374793       11.23557 
1 1 1 29 13 2  o 84.61414 3.452378 72.40377       5.839059      75.52096       8.267632      69.29367       8.246379      86.45287 4.781584 82.77541 4.981176 3.677452       6.904756 
1 1 1 29 13 3  o 79.54139 3.604937 64.17865       5.722874      58.31266       8.019674      70.04462       8.161365      75.86254 5.285662 83.22024 4.903473 -7.357697      7.209873 
1 1 1 29 13 4  o 47.51920 6.812892 24.41325       6.291760      26.07811       9.804973      22.74839       7.892153      48.93858 10.33770 46.09982 8.876602 2.838760       13.62578 
1 1 1 29 13 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 13 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 13 7  o 36.81853 8.365650 14.55868       7.012255      13.04968       9.918325      16.06060       9.911241      35.32946 11.87301 38.30761 11.78847 -2.978149      16.73130 
1 1 1 29 13 8  o 63.31819 4.314065 41.14688       5.415406      35.10379       7.672533      47.18289       7.644195      58.54658 6.552503 68.08981 5.613318 -9.543228      8.628131 
1 1 1 29 13 9  o 64.58746 3.990631 42.43626       5.152570      42.33708       7.226208      42.54253       7.353730      64.51775 5.600171 64.65718 5.686707 -0.1394348     7.981263 
1 1 1 29 13 10 o 91.81090 3.327821 85.29759       6.093394      88.20225       8.090520      82.46378       9.117774      93.43917 4.329298 90.18262 5.055172 3.256546       6.655643 
1 1 1 29 13 11 f 51.20786 4.639608 27.04160       4.730333      22.61378       6.446203      31.46943       6.924408      46.92885 6.868060 55.48688 6.239681 -8.558029      9.279217 
1 1 1 29 13 12 o 29.10686 6.926508 8.345562       4.872732      6.558138       7.396237      10.13086       6.344185      27.38400 10.15707 30.82972 9.420187 -3.445721      13.85302 
1 1 1 29 13 13 o 39.34497 6.043008 16.83282       4.630441      14.71454       6.422824      18.95109       6.672198      36.72763 8.837874 41.96231 8.244013 -5.234684      12.08602 
1 1 1 29 13 14 o 60.18928 4.145207 37.10162       4.989626      37.72506       7.063264      36.47818       7.049096      60.70572 5.817626 59.67284 5.906452 1.032887       8.290414 
1 1 1 29 13 15 o 67.98084 4.104140 47.74257       5.648486      39.57412       6.847187      55.91101       8.983169      62.20591 5.503647 73.75578 6.089807 -11.54987      8.208281 
1 1 1 29 13 16 o 27.79663 6.679873 7.927575       4.449785      8.388069       6.165656      7.459997       6.417156      28.28723 9.361192 27.30603 9.531575 0.9811993      13.35975 
1 1 1 29 13 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 13 18 f 41.63068 6.354735 19.97834       5.504670      29.45034       9.110690      10.50634       6.180533      52.40557 8.692483 30.85579 9.272076 21.54978       12.70947 
1 1 1 29 13 19 o 17.88232 5.675461 -1.965245      4.227332      -1.561428      6.024674      -2.368354      5.931159      18.23047 8.124331 17.53417 7.927085 0.6963062      11.35092 
1 1 1 29 13 20 o 45.71510 5.622672 22.74839       5.064013      20.77889       6.647403      24.71788       7.637110      43.45689 7.943560 47.97331 7.959748 -4.516422      11.24534 
1 1 1 29 13 21 f 19.88626 6.119987 0.1550093      4.595018      0.9854565      5.931867      -0.6751546     7.019340      19.76532 8.449084 20.00720 8.856069 -0.2418842     12.23997 
1 1 1 29 13 22 o 23.53556 6.522916 3.523839       4.804011      7.672533       6.337809      -0.6246419     7.219123      26.77291 9.459928 20.29821 8.983515 6.474705       13.04583 
1 1 1 29 13 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 13 24 o 27.97184 7.068858 10.98809       5.164613      15.42300       7.764632      6.543260       6.814599      32.39720 10.50367 23.54647 9.462976 8.850723       14.13772 
1 1 1 29 13 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 13 26 o 31.76697 6.717797 12.93633       4.635400      12.68837       7.075308      13.18429       5.989960      31.11749 10.02043 32.41646 8.950204 -1.298977      13.43559 
1 1 1 29 13 27 o 19.37646 5.873713 0.1795925      4.507170      -5.321890      6.864897      5.681075       5.841893      16.13902 7.700450 22.61391 8.871591 -6.474894      11.74743 
1 1 1 29 13 28 f 14.85326 5.021939 -4.683574      4.184825      -2.748085      6.392360      -6.619065      5.401945      16.42193 7.698944 13.28458 6.450253 3.137353       10.04388 
1 1 1 29 13 29 o 18.21066 5.797102 1.198700       4.483791      4.725374       6.927242      -2.327973      5.695244      20.98811 9.054967 15.43320 7.241073 5.554914       11.59420 
1 1 1 29 14 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 14 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 14 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 14 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 14 4  o 109.7001 5.133898 124.9709       11.51234      146.1536       19.14945      103.7882       12.79464      118.6882 8.067125 100.7120 6.352095 17.97623       10.26780 
1 1 1 29 14 5  o 44.70404 6.077632 21.44484       5.237584      21.13312       7.417490      21.74947       7.396237      44.35361 8.671021 45.05447 8.518443 -0.7008591     12.15526 
1 1 1 29 14 6  o 63.54677 4.152475 41.15396       5.279383      41.18230       7.481250      41.12563       7.445828      63.56618 5.884615 63.52736 5.860332 0.3882980E-01  8.304951 
1 1 1 29 14 7  o 23.57344 6.384711 2.935824       4.568805      -2.111895      6.359063      7.984251       6.563097      18.75727 8.353271 28.38960 9.658209 -9.632332      12.76942 
1 1 1 29 14 8  o 56.69041 4.494506 32.87925       5.087392      35.03294       7.190785      30.72555       7.197870      58.59055 6.136473 54.79028 6.568565 3.800266       8.989013 
1 1 1 29 14 9  o 89.30232 3.185263 80.62181       5.688159      81.54280       7.998421      79.77167       8.090520      89.80395 4.453268 88.80070 4.555437 1.003250       6.370526 
1 1 1 29 14 10 o 27.32829 9.442389 7.289969       6.283967      7.289969       6.283967      ?              ?             27.32829 9.442389 ?        ?        ?              ?        
1 1 1 29 14 11 o 28.15927 6.521973 7.984251       4.318722      10.10961       5.977916      5.863147       6.233667      30.70723 9.096906 25.61132 9.348308 5.095905       13.04395 
1 1 1 29 14 12 o 78.80325 3.750768 63.28600       5.892902      61.03312       8.883986      65.54595       7.743378      77.27051 5.748626 80.33600 4.819370 -3.065491      7.501535 
1 1 1 29 14 13 o 68.21762 3.852827 47.62921       5.247502      52.21289       7.530843      43.03844       7.304138      71.55792 5.262061 64.87731 5.629193 6.680611       7.705653 
1 1 1 29 14 14 o 80.61301 3.750711 66.51654       5.987126      72.75800       7.920490      60.25382       8.983169      84.59669 4.681324 76.62931 5.861444 7.967384       7.501421 
1 1 1 29 14 15 o 41.16128 5.753796 19.31948       4.776382      31.40567       6.852854      7.233293       6.654488      55.12934 6.215251 27.19322 9.684797 27.93612       11.50759 
1 1 1 29 14 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 14 17 o 22.57253 6.462767 2.539800       4.679324      -1.069762      6.192576      6.150070       7.016507      18.94172 8.359769 26.20333 9.858178 -7.261602      12.92553 
1 1 1 29 14 18 o 28.34110 6.873286 7.594603       5.149736      13.79356       7.452912      1.401318       7.105771      34.74365 10.11555 21.93855 9.308274 12.80510       13.74657 
1 1 1 29 14 19 o 28.38515 6.116363 7.452912       4.694201      -2.598601      6.055846      17.49876       7.176617      17.55282 7.967286 39.21748 9.282344 -21.66467      12.23273 
1 1 1 29 14 20 o 48.27834 5.722866 26.06394       5.200744      32.37625       6.944245      19.74455       7.743378      55.38772 6.268758 41.16896 9.576402 14.21876       11.44573 
1 1 1 29 14 21 o 24.36846 6.933043 4.621231       5.200744      3.055552       7.098687      6.187618       7.601687      22.80224 9.467298 25.93467 10.13107 -3.132435      13.86609 
1 1 1 29 14 22 f 23.13445 6.793024 3.742042       5.168156      3.947494       7.297054      3.537299       7.325392      23.28891 9.629609 22.98000 9.583909 0.3089085      13.58605 
1 1 1 29 14 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 14 24 o 40.88750 15.52352 29.23781       17.52001      29.23781       17.52001      ?              ?             40.88750 15.52352 ?        ?        ?              ?        
1 1 1 29 14 25 o 30.69933 6.747558 11.93741       4.663738      10.64095       7.047678      13.22680       6.109688      28.90629 9.998554 32.49237 9.063500 -3.586081      13.49512 
1 1 1 29 14 26 o 18.81154 5.903188 0.4456162      4.485208      3.128523       6.681408      -2.237291      5.986417      21.00712 8.973052 16.61596 7.672996 4.391165       11.80638 
1 1 1 29 14 27 o 17.06997 5.506299 -0.8650196     4.194035      -0.6240752     6.099770      -1.105893      5.758296      17.42295 7.931649 16.71700 7.639780 0.7059422      11.01260 
1 1 1 29 14 28 o 16.51924 5.366237 -0.9592436     4.075723      -1.484207      5.852520      -0.4349186     5.674699      16.30288 7.550635 16.73559 7.627182 -0.4327087     10.73247 
1 1 1 29 15 0  o 25.25106 12.11303 9.741212       6.998795      9.741212       6.998795      9.741212       6.998795      25.25106 12.11303 25.25106 12.11303 0.000000       0.000000 
1 1 1 29 15 1  o 104.8954 3.089118 111.2978       6.480209      116.8945       9.351563      105.6302       8.976085      107.5574 4.347244 102.2334 4.389997 5.324013       6.178236 
1 1 1 29 15 2  o 55.30337 4.762966 31.40567       5.249628      28.62854       7.452912      34.18280       7.396237      52.78733 7.059377 57.81941 6.395980 -5.032085      9.525931 
1 1 1 29 15 3  o 19.44634 6.068793 -1.977289      4.700578      0.5263088      6.707621      -4.480249      6.587893      21.22111 9.025195 17.67158 8.115841 3.549532       12.13759 
1 1 1 29 15 4  o 59.00310 4.467395 35.62095       5.258838      32.83674       7.424574      38.40517       7.452912      56.64614 6.553469 61.36005 6.073099 -4.713913      8.934791 
1 1 1 29 15 5  o 47.98296 5.161870 23.74022       4.940743      25.87266       7.027842      21.60069       6.945662      50.20060 6.999759 45.76533 7.588345 4.435268       10.32374 
1 1 1 29 15 6  o 32.57795 6.567529 11.39899       4.511421      12.83006       6.333559      9.975000       6.426365      34.42108 9.071472 30.73482 9.499376 3.686258       13.13506 
1 1 1 29 15 7  o 30.88174 6.279838 9.826226       4.522757      3.098768       6.104729      16.55652       6.675033      22.63472 9.009399 39.12875 8.750782 -16.49403      12.55968 
1 1 1 29 15 8  f 97.06374 3.106869 95.35760       6.031758      91.81535       8.359732      98.82903       8.699788      95.27938 4.386957 98.84809 4.400585 -3.568710      6.213737 
1 1 1 29 15 9  o 46.83804 5.342953 22.74839       5.024340      21.23938       6.450453      24.25739       7.707955      45.37561 7.107842 48.30048 7.979171 -2.924866      10.68591 
1 1 1 29 15 10 o 42.19105 5.711673 18.92983       4.706245      21.13312       6.585768      16.72655       6.726042      45.18667 7.287291 39.19543 8.797059 5.991241       11.42335 
1 1 1 29 15 11 o 64.45308 3.983598 42.45752       5.135567      41.91201       7.055471      43.00302       7.467082      64.07005 5.506061 64.83610 5.758430 -0.7660446     7.967196 
1 1 1 29 15 12 o 23.24962 6.540593 3.463621       4.556762      3.081765       6.512089      3.845476       6.376066      22.96914 9.242423 23.53010 9.257162 -0.5609665     13.08119 
1 1 1 29 15 13 o 91.11594 3.259884 84.80168       5.920532      95.92437       8.579351      73.60814       8.161365      97.20132 4.413187 85.03056 4.799078 12.17076       6.519768 
1 1 1 29 15 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 15 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 15 16 o 25.77971 6.777740 5.408321       4.891151      8.338477       6.262714      2.480290       7.516674      28.14281 9.434587 23.41661 9.733429 4.726192       13.55548 
1 1 1 29 15 17 o 22.69221 6.598890 2.638274       4.866355      3.616646       6.243586      1.659194       7.467082      22.81664 9.102012 22.56779 9.556924 0.2488441      13.19778 
1 1 1 29 15 18 o 49.15305 5.684364 25.97184       5.586851      25.75222       7.856731      26.19146       7.948828      48.95112 8.025077 49.35499 8.052711 -0.4038696     11.36873 
1 1 1 29 15 19 f 33.33642 6.795396 12.95758       4.801178      14.77122       7.049803      11.14395       6.518465      35.55194 9.663200 31.12090 9.556787 4.431042       13.59079 
1 1 1 29 15 20 o 103.2701 3.320049 110.3768       6.864190      114.4858       10.13795      106.1969       9.259464      105.1165 4.822240 101.4237 4.564744 3.692841       6.640097 
1 1 1 29 15 21 o 16.74785 5.670537 -8.359732      5.388484      -7.842561      7.325392      -8.876901      7.899237      16.54818 7.909665 16.94752 8.127556 -0.3993397     11.34107 
1 1 1 29 15 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 15 23 o 26.23787 7.164099 7.495420       5.377857      8.303054       8.522675      6.680700       6.558846      27.42505 10.72439 25.05069 9.501832 2.374359       14.32820 
1 1 1 29 15 24 o 68.31351 3.897596 50.40635       5.324015      49.74749       7.644195      51.06521       7.410406      67.74637 5.641775 68.88065 5.379164 -1.134277      7.795193 
1 1 1 29 15 25 o 20.77905 6.130989 3.077514       4.321556      5.534425       6.174866      0.6206746      6.048761      22.91308 9.079612 18.64501 8.241161 4.268068       12.26198 
1 1 1 29 15 26 o 32.24466 6.483491 13.94941       4.422864      16.09602       6.291052      11.79572       6.217373      35.00983 8.949659 29.47949 9.383294 5.530344       12.96698 
1 1 1 29 15 27 o 21.35563 6.330975 4.672239       4.592185      3.891525       6.784843      5.453662       6.189034      20.85858 8.979794 21.85269 8.926828 -0.9941139     12.66195 
1 1 1 29 15 28 o 42.40666 6.149638 24.95167       5.040634      24.22197       7.452912      25.68138       6.791219      40.82505 9.328003 43.98828 8.016268 -3.163231      12.29928 
1 1 1 29 16 0  o 82.02339 5.049111 68.50729       8.218040      68.50729       8.218040      68.50729       8.218040      82.02339 5.049111 82.02339 5.049111 0.000000       0.000000 
1 1 1 29 16 1  o 93.86926 3.242482 89.19408       6.086309      91.67366       8.664365      86.64365       8.551013      95.20170 4.550531 92.53683 4.620329 2.664864       6.484965 
1 1 1 29 16 2  o 68.89536 3.903750 48.28807       5.377149      50.23632       7.686701      46.34692       7.523758      70.29416 5.467525 67.49654 5.573440 2.797615       7.807500 
1 1 1 29 16 3  o 48.20721 5.531247 24.36366       5.202161      25.06503       7.005879      23.66229       7.693786      49.36870 7.095467 47.04571 8.487233 2.322990       11.06249 
1 1 1 29 16 4  o 44.83596 5.625573 21.84865       4.836601      13.87857       6.516339      29.82582       7.148279      35.73581 9.092649 53.93611 6.626616 -18.20030      11.25115 
1 1 1 29 16 5  o 117.9797 2.907168 140.6277       6.854271      145.6577       9.663282      135.5977       9.727042      120.1153 4.022501 115.8441 4.198332 4.271202       5.814336 
1 1 1 29 16 6  o 20.22186 6.109314 0.2439908      4.388151      -0.6575141     6.180533      1.145567       6.231542      19.46101 8.476402 20.98272 8.800311 -1.521711      12.21863 
1 1 1 29 16 7  o 63.55260 3.963206 41.36650       5.013713      36.01769       6.989584      46.71531       7.190785      59.36232 5.887223 67.74289 5.307410 -8.380566      7.926411 
1 1 1 29 16 8  o 83.17545 3.371226 70.22883       5.610230      71.12856       8.055097      69.32909       7.807138      83.69669 4.812077 82.65421 4.722772 1.042488       6.742452 
1 1 1 29 16 9  o 53.86144 4.767642 29.93917       5.141234      28.70647       6.934327      31.16479       7.594603      52.79733 6.566928 54.92554 6.913544 -2.128212      9.535283 
1 1 1 29 16 10 o 51.60064 4.833168 27.53044       4.983958      28.28139       6.932201      26.77239       7.162447      52.36006 6.619741 50.84122 7.043937 1.518837       9.666335 
1 1 1 29 16 11 o 44.08215 6.702426 21.45900       5.733500      22.80506       8.218040      20.10586       7.998421      45.55190 9.341959 42.61239 9.613421 2.939510       13.40485 
1 1 1 29 16 12 o 47.16981 5.693671 23.84649       5.172406      26.41817       6.784134      21.26772       7.807138      50.45554 6.722884 43.88408 9.190996 6.571461       11.38734 
1 1 1 29 16 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 16 14 o 29.27078 11.03060 8.118857       8.791886      8.118857       8.791886      ?              ?             29.27078 11.03060 ?        ?        ?              ?        
1 1 1 29 16 15 o 40.56171 7.011320 18.66062       5.665489      16.54235       8.154280      20.77181       7.863815      38.05744 10.41422 43.06598 9.390336 -5.008537      14.02264 
1 1 1 29 16 16 o 35.96980 7.038358 14.79247       5.395568      18.98651       7.523758      10.60552       7.736294      40.89587 9.391401 31.04372 10.48597 9.852154       14.07672 
1 1 1 29 16 17 o 46.77021 5.831182 23.89608       5.334641      23.91733       7.948828      23.87483       7.112856      46.20992 8.919084 47.33050 7.514031 -1.120575      11.66236 
1 1 1 29 16 18 o 59.33326 4.647921 37.44168       5.442327      32.86508       8.062181      42.01827       7.311223      55.30613 7.288686 63.36039 5.769553 -8.054253      9.295842 
1 1 1 29 16 19 o 30.33013 6.764275 10.19462       5.083850      17.34998       7.545012      3.042092       6.814599      38.18456 9.824722 22.47569 9.300348 15.70887       13.52855 
1 1 1 29 16 20 o 62.15707 4.492879 41.31691       5.541510      34.83458       7.722124      47.79216       7.948828      57.00159 6.773605 67.31256 5.904417 -10.31097      8.985759 
1 1 1 29 16 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 16 22 o 63.10798 4.460918 43.53436       5.558513      36.01060       7.842561      51.05812       7.877984      57.15893 6.860312 69.05702 5.703970 -11.89809      8.921836 
1 1 1 29 16 23 o 29.21375 7.022198 11.11561       4.912405      11.68946       7.304138      10.54176       6.573724      29.77505 10.18887 28.65245 9.666021 1.122604       14.04440 
1 1 1 29 16 24 o 43.09279 5.596746 22.13203       4.699870      26.03560       6.847187      18.22138       6.440535      47.75469 7.169125 38.43088 8.596390 9.323811       11.19349 
1 1 1 29 16 25 o 25.35737 5.907000 5.803638       4.565263      17.36415       6.926533      -5.757588      5.948870      36.02734 9.482873 14.68741 7.045970 21.33992       11.81400 
1 1 1 29 16 26 o 31.73998 6.574193 14.09819       4.614855      11.19354       6.840102      16.99576       6.196119      27.77520 9.826274 35.70476 8.736384 -7.929558      13.14839 
1 1 1 29 16 27 o 23.83521 6.515929 7.644195       4.658779      4.654528       6.962664      10.62678       6.191161      21.00617 9.070606 26.66424 9.356998 -5.658070      13.03186 
1 1 1 29 17 0  o 54.31035 6.737877 31.23564       7.134109      31.23564       7.134109      31.23564       7.134109      54.31035 6.737877 54.31035 6.737877 0.000000       0.000000 
1 1 1 29 17 1  o 57.95079 4.457936 34.45910       5.158946      36.89617       7.360813      32.02202       7.233293      60.04095 6.129828 55.86063 6.474411 4.180321       8.915873 
1 1 1 29 17 2  o 86.25037 3.396954 75.45012       5.857479      73.60814       8.380984      77.36294       8.182618      85.14701 4.921479 87.35373 4.683611 -2.206718      6.793907 
1 1 1 29 17 3  o 29.71237 6.902164 9.139028       4.743084      9.514507       6.650945      8.763549       6.765006      30.13418 9.716432 29.29057 9.805632 0.8436127      13.80433 
1 1 1 29 17 4  o 89.27966 3.305670 80.83435       5.895736      83.73900       8.225125      78.00054       8.451830      90.90382 4.524082 87.65551 4.821049 3.248306       6.611341 
1 1 1 29 17 5  o 61.31892 4.228198 38.55395       5.170281      41.57195       7.261631      35.53594       7.360813      63.78970 5.691852 58.84814 6.254076 4.941566       8.456396 
1 1 1 29 17 6  o 28.72862 6.793635 8.395153       4.631858      10.07418       6.581517      6.711164       6.517756      30.72676 9.636923 26.73048 9.578289 3.996279       13.58727 
1 1 1 29 17 7  o 20.55783 6.135945 0.3562095      4.440576      3.162529       6.177700      -2.450535      6.381025      22.66064 9.049437 18.45503 8.288969 4.205614       12.27189 
1 1 1 29 17 8  o 65.55847 4.395204 44.44827       5.803638      37.81715       7.304138      51.07228       9.025676      60.69931 6.016656 70.41763 6.408676 -9.718319      8.790408 
1 1 1 29 17 9  o 71.86330 4.176661 53.03470       6.014756      51.18564       7.870899      54.89084       9.096521      70.71249 5.565424 73.01411 6.229290 -2.301628      8.353322 
1 1 1 29 17 10 o 66.65700 4.722678 46.63738       6.232958      36.11687       8.409323      57.15789       9.202788      58.87339 7.141870 74.44061 6.181296 -15.56721      9.445355 
1 1 1 29 17 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 17 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 17 13 o 38.86696 6.957759 15.56469       6.517048      26.99201       8.118857      4.140193       10.19462      50.39777 8.054780 27.33616 11.34734 23.06161       13.91552 
1 1 1 29 17 14 o 19.00134 5.932518 -3.676865      4.820306      -10.10252      7.068224      2.745959       6.556721      15.55703 7.514901 22.44565 9.181792 -6.888616      11.86504 
1 1 1 29 17 15 o 20.26243 6.258860 -0.7502505     4.910279      -3.168196      7.346645      1.668404       6.513506      19.17867 8.723899 21.34619 8.977019 -2.167521      12.51772 
1 1 1 29 17 16 o 94.63605 3.390575 92.02789       6.411489      94.72000       8.954830      89.33577       9.181536      96.09071 4.659572 93.18138 4.926701 2.909332       6.781150 
1 1 1 29 17 17 o 50.79416 4.992822 27.67921       5.071806      27.80673       7.212039      27.55169       7.134109      50.89959 7.084575 50.68872 7.037177 0.2108765      9.985643 
1 1 1 29 17 18 o 89.32088 3.489718 82.74717       6.233667      85.15590       8.969000      80.40928       8.664365      90.59171 4.950232 88.05006 4.920136 2.541649       6.979437 
1 1 1 29 17 19 o 60.08266 6.873627 44.37742       7.863815      65.56013       12.36957      23.18763       9.698705      77.00378 8.031794 43.16154 11.15694 33.84223       13.74725 
1 1 1 29 17 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 17 21 f 47.89830 5.684493 26.60945       5.266631      21.80614       7.275800      31.41275       7.615856      42.67209 8.824658 53.12452 7.167931 -10.45242      11.36899 
1 1 1 29 17 22 o 22.44402 6.675936 1.791674       5.639985      -4.898236      8.402238      8.480167       7.530843      18.44617 8.689830 26.44187 10.13703 -7.995701      13.35187 
1 1 1 29 17 23 o 33.10433 6.604303 14.00609       4.774965      9.925409       6.956288      18.09386       6.541844      27.94039 9.906886 38.26828 8.736183 -10.32789      13.20861 
1 1 1 29 17 24 o 37.08770 6.458035 17.93091       4.770006      17.15162       6.946370      18.71730       6.539719      35.82966 9.526640 38.34575 8.721695 -2.516090      12.91607 
1 1 1 29 17 25 o 43.56594 5.877544 24.34240       4.954203      27.38875       7.552096      21.30314       6.417865      46.13869 8.503066 40.99318 8.116647 5.145508       11.75509 
1 1 1 29 17 26 o 18.82771 5.849203 1.902193       4.335016      4.526299       6.193285      -0.7226208     6.066473      20.74080 8.739466 16.91463 7.776530 3.826170       11.69841 
1 1 1 29 18 0  o 129.2557 3.987566 168.4698       10.28672      168.4698       10.28672      168.4698       10.28672      129.2557 3.987566 129.2557 3.987566 0.000000       0.000000 
1 1 1 29 18 1  o 20.80323 6.239101 0.3608145      4.599269      2.689991       6.489419      -1.968079      6.519173      22.60236 9.171865 19.00410 8.460641 3.598259       12.47820 
1 1 1 29 18 2  o 21.54383 6.528673 -0.8600605     5.287884      3.087433       6.796178      -4.807554      8.104689      23.34080 9.421198 19.74686 9.040758 3.593945       13.05735 
1 1 1 29 18 3  o 48.35998 5.353447 24.79581       4.997419      28.77731       7.033509      20.81431       7.098687      52.81801 6.658249 43.90195 8.384826 8.916054       10.70689 
1 1 1 29 18 4  o 157.2558 2.747682 250.0126       8.643111      254.5467       12.28455      245.4785       12.15703      158.6885 3.870651 155.8232 3.900907 2.865341       5.495363 
1 1 1 29 18 5  o 30.88588 7.064301 9.457831       5.466414      2.261378       7.254546      16.64862       8.182618      23.16660 9.591640 38.60517 10.37390 -15.43857      14.12860 
1 1 1 29 18 6  o 54.61841 5.822594 32.18496       5.973666      40.03461       8.154280      24.33532       8.735210      62.26487 6.548059 46.97195 9.629814 15.29292       11.64519 
1 1 1 29 18 7  o 53.38206 5.723652 30.52719       5.922657      25.33423       8.168448      35.72723       8.579351      48.23217 8.793738 58.53196 7.328775 -10.29978      11.44730 
1 1 1 29 18 8  o 113.6093 3.821259 132.9055       8.756464      116.0444       10.89599      149.6959       13.70854      106.5318 5.113962 120.6867 5.679391 -14.15495      7.642519 
1 1 1 29 18 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 18 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 18 11 o 51.84095 5.285327 28.42308       5.495461      31.38441       8.246379      25.46176       7.261631      54.51698 7.563130 49.16493 7.384971 5.352047       10.57065 
1 1 1 29 18 12 o 56.54114 4.985425 33.61604       5.563472      29.63454       8.281801      37.59045       7.431659      52.87938 7.830842 60.20290 6.172177 -7.323524      9.970850 
1 1 1 29 18 13 f 45.32723 6.478565 23.31515       5.727833      32.90050       7.261631      13.73688       8.862731      56.06346 6.476261 34.59101 11.22253 21.47245       12.95713 
1 1 1 29 18 14 o 22.82077 6.459718 2.877731       4.667280      -0.9018591     6.521298      6.657322       6.679283      19.41118 8.571341 26.23036 9.666640 -6.819181      12.91944 
1 1 1 29 18 15 o 40.72909 6.128560 18.82356       4.972623      12.44750       7.032801      25.19254       7.032093      32.86092 9.893973 48.59725 7.235072 -15.73633      12.25712 
1 1 1 29 18 16 o 18.80168 5.917587 -2.184157      4.684283      -6.265547      6.719665      1.896526       6.528384      16.38683 7.734782 21.21653 8.957929 -4.829702      11.83517 
1 1 1 29 18 17 o 24.76884 6.821988 5.309846       4.912405      4.028256       7.162447      6.591435       6.724624      23.72322 9.632497 25.81445 9.662974 -2.091221      13.64398 
1 1 1 29 18 18 o 30.35383 7.396787 11.24313       5.455787      10.87473       7.743378      11.61152       7.686701      29.95539 10.46896 30.75227 10.45231 -0.7968864     14.79357 
1 1 1 29 18 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 18 20 o 25.74463 6.750605 6.197536       5.093768      0.1253960      7.212039      12.27038       7.190785      20.19955 8.954463 31.28971 10.10447 -11.09015      13.50121 
1 1 1 29 18 21 o 42.89847 7.196608 24.68954       6.213830      32.12120       9.436578      17.26497       8.090520      50.19894 9.747017 35.59800 10.59058 14.60094       14.39322 
1 1 1 29 18 22 o 20.47045 6.222579 2.194075       4.597852      2.281215       6.730292      2.106936       6.266256      20.76541 8.941695 20.17548 8.656100 0.5899277      12.44516 
1 1 1 29 18 23 o 48.41197 6.025729 29.28031       5.782383      34.39534       9.351563      24.15821       6.807514      51.57354 9.415753 45.25040 7.522048 6.323139       12.05146 
1 1 1 29 18 24 o 27.79539 6.793656 10.03168       5.240418      5.588976       8.395153      14.47367       6.273340      23.13339 9.974257 32.45738 9.226551 -9.323992      13.58731 
1 1 1 29 18 25 o 36.27672 6.574071 19.47534       5.120689      28.33099       7.984251      10.62678       6.417156      45.63251 9.070611 26.92093 9.518279 18.71158       13.14814 
1 1 1 29 19 0  o 29.55622 12.88793 13.12761       7.849646      13.12761       7.849646      13.12761       7.849646      29.55622 12.88793 29.55622 12.88793 0.000000       0.000000 
1 1 1 29 19 1  o 32.33844 7.033679 11.29981       5.264505      16.94617       7.970083      5.651320       6.883317      38.89037 10.14256 25.78651 9.747770 13.10386       14.06736 
1 1 1 29 19 2  o 47.69907 6.494867 25.58219       6.034592      15.01918       8.161365      36.14521       8.891070      36.61045 10.56168 58.78769 7.562016 -22.17723      12.98973 
1 1 1 29 19 3  o 40.76093 6.896150 18.66062       6.150070      29.57078       9.259464      7.750463       8.097604      52.73657 8.778978 28.78529 10.63753 23.95128       13.79230 
1 1 1 29 19 4  o 64.00441 5.081716 42.77632       6.506421      41.64988       9.096521      43.90276       9.301972      63.15590 7.201640 64.85291 7.171591 -1.697010      10.16343 
1 1 1 29 19 5  o 48.35773 11.96898 29.82582       14.34615      31.11520       21.53693      28.53644       18.96525      49.11789 17.43012 47.59756 16.40784 1.520329       23.93797 
1 1 1 29 19 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 19 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 19 8  o 52.19162 6.981617 31.22147       7.091603      42.33708       10.55593      20.10586       9.464915      62.85738 8.396731 41.52586 11.15647 21.33152       13.96323 
1 1 1 29 19 9  f 63.45221 4.327134 41.74906       5.482000      44.24281       7.743378      39.24823       7.764632      65.42319 5.917916 61.48124 6.314635 3.941952       8.654267 
1 1 1 29 19 10 o 29.98724 7.110513 9.181536       5.429574      15.77014       8.295970      2.592933       7.003754      37.09573 10.63111 22.87874 9.445478 14.21699       14.22103 
1 1 1 29 19 11 o 26.43288 6.876284 6.682117       4.813221      7.757547       6.766423      5.606688       6.847187      27.53712 9.770061 25.32864 9.678792 2.208481       13.75257 
1 1 1 29 19 12 o 57.97249 4.624366 35.44384       5.321890      30.27214       7.452912      40.61554       7.601687      53.53996 6.960141 62.40503 6.090605 -8.865067      9.248732 
1 1 1 29 19 13 o 24.48185 6.741698 4.965539       4.759379      4.298885       6.581517      5.632192       6.876941      23.70734 9.380295 25.25636 9.685662 -1.549017      13.48340 
1 1 1 29 19 14 o 43.56548 6.071523 22.15329       5.189409      32.07870       7.559181      12.22788       7.112856      54.79673 6.897474 32.33424 9.993919 22.46249       12.14305 
1 1 1 29 19 15 o 19.48312 5.971980 -2.261378      4.744502      -9.351563      6.680700      4.825974       6.739501      14.98867 7.251624 23.97758 9.490634 -8.988911      11.94396 
1 1 1 29 19 16 o 55.11828 5.399281 33.97026       5.737751      44.44827       8.798972      23.49226       7.367898      64.54988 6.815637 45.68668 8.375920 18.86320       10.79856 
1 1 1 29 19 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 19 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 19 19 o 25.98908 7.226923 7.067515       5.501128      7.374983       8.125941      6.761464       7.417490      26.43897 10.43500 25.53919 10.00123 0.8997822      14.45385 
1 1 1 29 19 20 o 25.21899 7.168961 6.362606       5.773174      3.974414       9.054014      8.749379       7.162447      23.73363 10.29712 26.70434 9.977237 -2.970713      14.33792 
1 1 1 29 19 21 o 28.97589 7.013694 10.83223       5.189409      16.72655       7.962997      4.938617       6.653780      35.11623 10.51891 22.83554 9.280091 12.28069       14.02739 
1 1 1 29 19 22 o 24.97272 7.007628 7.233293       5.366522      10.87473       7.736294      3.593976       7.438744      28.12191 10.39648 21.82354 9.398971 6.298374       14.01526 
1 1 1 29 19 23 o 27.94746 6.686388 10.33631       4.949953      5.294969       7.467082      15.37340       6.497920      22.53416 9.550518 33.36076 9.360490 -10.82660      13.37278 
1 1 1 29 19 24 o 33.88063 7.613711 18.67479       5.882984      23.57727       9.464915      13.77939       6.993836      37.60076 11.50963 30.16051 9.970096 7.440250       15.22742 
1 1 1 29 20 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 20 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 20 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 20 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 20 4  o 60.65657 6.030129 39.62371       7.297054      35.05420       10.04585      44.18614       10.59135      57.01015 8.810578 64.30300 8.235505 -7.292854      12.06026 
1 1 1 29 20 5  o 26.69063 6.996431 5.713664       5.284342      9.670367       6.840102      1.759086       8.055097      29.92713 9.859912 23.45413 9.928864 6.473005       13.99286 
1 1 1 29 20 6  o 72.25587 4.334264 54.21073       6.302387      49.09571       7.948828      59.33284       9.783719      68.98283 5.761455 75.52891 6.476805 -6.546082      8.668528 
1 1 1 29 20 7  o 68.93497 4.422930 49.37200       6.053721      52.56004       7.899237      46.18397       9.174451      71.44006 5.528577 66.42986 6.905366 5.010201       8.845860 
1 1 1 29 20 8  o 44.13203 6.127173 21.60778       5.214205      20.51676       7.240376      22.69880       7.509589      42.95925 8.730696 45.30480 8.599068 -2.345547      12.25435 
1 1 1 29 20 9  o 48.31159 5.760405 26.04269       5.261672      34.40950       7.488335      17.66879       7.389152      57.27782 6.536854 39.34536 9.486757 17.93246       11.52081 
1 1 1 29 20 10 o 97.98575 3.370309 98.54564       6.605605      100.3168       9.464915      96.77451       9.216957      98.85531 4.787257 97.11620 4.745325 1.739113       6.740619 
1 1 1 29 20 11 o 18.96396 5.993712 -1.709494      4.664447      -2.900402      6.553179      -0.5181616     6.639610      18.11963 8.241410 19.80829 8.705029 -1.688665      11.98742 
1 1 1 29 20 12 o 29.49880 6.847620 8.664365       5.247502      14.67912       6.833017      2.653152       7.962997      35.48757 9.454475 23.51003 9.908201 11.97754       13.69524 
1 1 1 29 20 13 o 37.46755 6.735855 16.59194       5.107229      19.26280       7.077433      13.92816       7.367898      40.79445 8.919996 34.14066 10.09557 6.653790       13.47171 
1 1 1 29 20 14 o 77.23589 4.231028 62.79008       6.517756      60.57263       9.691620      65.01462       8.713958      75.58463 6.411106 78.88714 5.523053 -3.302513      8.462056 
1 1 1 29 20 15 o 34.56330 7.072423 14.34615       5.880858      24.52660       8.820225      4.172781       7.785885      45.03525 10.05031 24.09136 9.953288 20.94389       14.14485 
1 1 1 29 20 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 20 17 o 26.80391 7.154210 6.235793       6.389527      -3.122856      9.996255      15.59302       7.962997      20.42121 9.583519 33.18662 10.62483 -12.76542      14.30842 
1 1 1 29 20 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 20 19 o 22.13768 6.672666 3.404111       5.216331      5.482000       8.104689      1.326222       6.565931      24.32000 10.10783 19.95536 8.713760 4.364637       13.34533 
1 1 1 29 20 20 o 46.29454 6.754835 27.43834       6.121732      20.38216       9.833311      34.49452       7.297054      37.15654 11.79786 55.43254 6.581922 -18.27601      13.50967 
1 1 1 29 20 21 o 46.55547 5.737060 26.48901       5.178782      23.54185       7.410406      29.43617       7.233293      42.90229 8.931341 50.20866 7.203233 -7.306362      11.47412 
1 1 1 29 20 22 o 18.36485 5.948865 -0.4150819     4.959870      -1.097392      6.424950      0.2669446      7.559181      17.42299 8.007200 19.30671 8.800042 -1.883726      11.89773 
1 1 1 29 20 23 o 27.00491 6.387392 9.656199       4.767172      17.61920       6.856396      1.693908       6.625441      34.98660 9.538731 19.02322 8.497512 15.96339       12.77478 
1 1 1 29 21 0  o 49.45658 9.991735 28.15387       8.763549      28.15387       8.763549      28.15387       8.763549      49.45658 9.991735 49.45658 9.991735 0.000000       0.000000 
1 1 1 29 21 1  o 40.34549 6.295638 18.95817       5.666197      32.99968       8.876901      4.919489       7.041303      55.71994 7.965642 24.97104 9.751347 30.74889       12.59128 
1 1 1 29 21 2  o 19.86207 6.278842 -2.835224      5.243960      2.046717       7.934660      -7.715039      6.862064      23.49949 9.896522 16.22465 7.730091 7.274836       12.55768 
1 1 1 29 21 3  o 21.83862 6.748404 -0.2050260     5.579058      -0.1277339     7.991336      -0.2822472     7.785885      22.01861 9.613955 21.65864 9.472891 0.3599701      13.49681 
1 1 1 29 21 4  f 38.58020 5.982812 15.45133       5.992085      -3.631524      8.203872      34.52994       8.735210      20.17609 9.188605 56.98431 7.664576 -36.80821      11.96562 
1 1 1 29 21 5  o 56.64767 5.575613 34.33866       6.313722      34.11904       9.096521      34.55828       8.763549      56.37986 8.067172 56.91549 7.698738 -0.5356255     11.15123 
1 1 1 29 21 6  o 19.34916 6.306489 -4.712621      5.691702      -4.037467      7.977167      -5.387776      8.125941      19.58899 8.968843 19.10933 8.868316 0.4796562      12.61298 
1 1 1 29 21 7  o 86.22012 4.280539 77.57547       7.261631      84.73083       9.025676      70.46970       11.38482      90.75938 4.972310 81.68086 6.969087 9.078522       8.561077 
1 1 1 29 21 8  o 27.70071 7.212216 7.651280       5.277257      7.112856       6.829475      8.196787       8.048012      26.78673 9.784129 28.61468 10.59882 -1.827953      14.42443 
1 1 1 29 21 9  o 37.27703 7.492637 16.39357       6.189034      23.27264       8.912323      9.507423       8.593520      44.60326 10.20679 29.95081 10.97178 14.65246       14.98527 
1 1 1 29 21 10 o 19.42399 6.225297 -3.066179      5.311263      -7.750463      6.903862      1.616687       8.076350      16.04162 7.670207 22.80637 9.807406 -6.764750      12.45059 
1 1 1 29 21 11 o 38.50610 7.177675 17.90258       5.767506      22.98926       8.175533      12.82298       8.140111      44.27252 9.506904 32.73967 10.75615 11.53285       14.35535 
1 1 1 29 21 12 o 23.72070 7.590929 -1.727206      7.722124      -2.077181      9.882903      -1.377230      11.86657      22.58082 10.21935 24.86057 11.22737 -2.279755      15.18186 
1 1 1 29 21 13 o 34.15596 8.257854 13.76522       7.105771      10.10961       10.98100      17.42792       9.025676      30.84110 12.14372 37.47082 11.19369 -6.629725      16.51571 
1 1 1 29 21 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 21 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 21 16 o 20.63688 6.594096 -1.360227      5.885818      3.241875       9.096521      -5.961622      7.474166      24.01483 10.36875 17.25892 8.149682 6.755903       13.18819 
1 1 1 29 21 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 21 18 o 19.40668 6.026651 -1.226330      4.857854      5.464289       7.091603      -7.920490      6.639610      23.75081 9.608469 15.06256 7.277321 8.688253       12.05330 
1 1 1 29 21 19 f 25.62897 6.810758 8.118857       4.758671      9.004422       6.683534      7.233293       6.774924      26.54024 9.680498 24.71769 9.582987 1.822556       13.62152 
1 1 1 29 21 20 o 19.27678 6.244437 -1.409111      5.709413      -3.984333      9.316141      1.166112       6.599937      19.24201 9.091262 19.31155 8.562765 -0.6953812E-01 12.48887 
1 1 1 29 21 21 o 25.44254 6.737619 8.657280       4.806845      12.14286       6.828767      5.173823       6.765715      28.89252 9.851746 21.99256 9.193757 6.899960       13.47524 
1 1 1 29 21 22 o 16.58567 5.492938 -2.431407      4.616271      -4.607770      6.543260      -0.2548301     6.513506      15.51040 7.428400 17.66094 8.093723 -2.150537      10.98588 
1 1 1 29 22 0  o 18.42983 11.04064 4.405153       7.105771      4.405153       7.105771      4.405153       7.105771      18.42983 11.04064 18.42983 11.04064 0.000000       0.000000 
1 1 1 29 22 1  o 116.0511 3.171648 137.8647       7.360813      138.9982       10.53468      136.6604       10.28672      116.5225 4.520449 115.5798 4.450050 0.9426575      6.343296 
1 1 1 29 22 2  o 19.52082 6.178023 -2.029006      5.002378      0.1352435E-01  7.197870      -4.071473      6.947078      20.96833 9.140052 18.07331 8.314526 2.895025       12.35605 
1 1 1 29 22 3  o 72.20332 4.150853 54.26740       5.994210      56.24399       8.614774      52.29791       8.338477      73.52177 5.858655 70.88486 5.881706 2.636917       8.301705 
1 1 1 29 22 4  f 53.41900 5.554614 30.90266       5.963747      36.15938       9.188620      25.64596       7.608772      57.96223 7.926385 48.87577 7.783788 9.086464       11.10923 
1 1 1 29 22 5  o 23.89392 6.982324 3.325473       5.486251      6.398028       8.543928      0.2527047      6.887568      27.15755 10.70589 20.63029 8.966338 6.527254       13.96465 
1 1 1 29 22 6  o 43.06335 6.888856 21.58652       5.841185      19.09278       8.983169      24.08736       7.467082      39.77206 10.95167 46.35464 8.359808 -6.582584      13.77771 
1 1 1 29 22 7  o 73.38759 7.846034 63.81734       10.95267      67.76341       20.06335      59.86417       8.777717      71.28928 14.57521 75.48589 5.814145 -4.196602      15.69207 
1 1 1 29 22 8  o 48.02357 8.871104 29.31573       9.833311      30.18005       17.98050      28.45142       7.955913      45.08001 15.93326 50.96714 7.804944 -5.887135      17.74221 
1 1 1 29 22 9  o 49.55675 8.845722 31.17188       9.684536      33.50977       17.55543      28.82690       8.168448      47.84927 15.79601 51.26422 7.967009 -3.414944      17.69144 
1 1 1 29 22 10 o 52.22993 9.469766 38.61062       10.94558      58.44019       20.10586      18.78814       8.643111      64.97692 15.63747 39.48294 10.68529 25.49398       18.93953 
1 1 1 29 22 11 o 40.91476 7.942767 20.97017       7.431659      12.91508       11.64695      29.02527       9.224042      32.55244 12.57627 49.27708 9.705030 -16.72463      15.88553 
1 1 1 29 22 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 22 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 22 14 o 45.03519 6.959976 25.09336       6.242169      29.88958       8.246379      20.29714       9.372816      51.11997 8.065712 38.95041 11.34501 12.16956       13.91995 
1 1 1 29 22 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 22 16 o 42.52533 7.152321 23.47101       6.026091      24.03068       7.849646      22.91842       9.146112      43.93321 9.226944 41.11744 10.93098 2.815769       14.30464 
1 1 1 29 22 17 o 18.92063 6.016922 -2.735332      5.173823      3.529507       6.825224      -8.997337      7.778800      21.74701 9.169509 16.09425 7.793169 5.652763       12.03384 
1 1 1 29 22 18 o 17.13910 5.702504 -3.952453      5.068264      -4.275506      6.756505      -3.630107      7.559181      16.51165 7.782580 17.76654 8.337004 -1.254890      11.40501 
1 1 1 29 22 19 o 31.77789 7.259973 14.79247       5.295677      11.94450       6.749420      17.64045       8.161365      29.14288 9.794335 34.41290 10.71913 -5.270014      14.51995 
1 1 1 29 22 20 o 21.59988 6.592835 1.951785       5.748378      -6.244294      8.274716      10.14503       7.984251      16.93136 8.167864 26.26839 10.35123 -9.337029      13.18567 
1 1 1 29 22 21 o 21.84493 6.511605 4.646027       5.225540      8.997337       6.825224      0.2920238      7.913406      24.69872 9.609659 18.99114 8.789680 5.707582       13.02321 
1 1 1 29 23 0  o 35.38875 11.91574 17.23663       7.516674      17.23663       7.516674      17.23663       7.516674      35.38875 11.91574 35.38875 11.91574 0.000000       0.000000 
1 1 1 29 23 1  o 46.32584 6.243787 24.45576       5.665489      27.81382       8.232210      21.09061       7.785885      50.19515 8.200204 42.45654 9.417865 7.738613       12.48757 
1 1 1 29 23 2  o 36.88342 7.598859 16.38649       6.174866      13.79356       9.656199      18.97234       7.693786      33.74186 11.70042 40.02497 9.699011 -6.283112      15.19772 
1 1 1 29 23 3  o 32.56745 7.673763 12.51834       5.977208      11.69654       9.351563      13.34015       7.445828      31.73389 11.46296 33.40101 10.20525 -1.667122      15.34753 
1 1 1 29 23 4  o 26.03191 7.572580 4.710496       6.618357      3.324764       11.04476      6.096227       7.297054      26.46428 11.42580 25.59955 9.941174 0.8647232      15.14516 
1 1 1 29 23 5  o 32.52685 8.098227 12.46875       6.706913      13.29056       11.05185      11.63986       7.601687      33.54309 12.42107 31.51060 10.39433 2.032488       16.19645 
1 1 1 29 23 6  o 61.51437 6.516331 42.79049       7.658363      40.12671       12.17120      45.45426       9.301972      57.98705 10.89572 65.04168 7.150778 -7.054630      13.03266 
1 1 1 29 23 7  o 90.35461 4.940259 87.42295       8.763549      81.68449       14.34615      93.09056       10.06001      86.14828 8.326427 94.56095 5.319329 -8.412666      9.880519 
1 1 1 29 23 8  f 41.06770 8.098057 17.96634       9.748297      7.032801       17.61211      28.89775       8.359732      31.39224 13.94493 50.74315 8.237301 -19.35090      16.19611 
1 1 1 29 23 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 23 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 23 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 23 12 o 34.17599 7.831941 15.45842       6.286093      20.95601       9.691620      9.953747       8.012589      39.55211 11.54152 28.79988 10.59011 10.75223       15.66388 
1 1 1 29 23 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 23 14 o 43.47996 7.393283 25.00126       6.400154      26.23397       10.00334      23.77564       7.984251      43.54901 11.36538 43.41091 9.458897 0.1380997      14.78657 
1 1 1 29 23 15 o 19.23502 6.193038 -4.252128      5.578349      6.180533       8.678535      -14.68620      7.010130      25.09826 10.44718 13.37178 6.653662 11.72648       12.38608 
1 1 1 29 23 16 o 20.19815 6.406357 1.091724       5.370772      2.617021       8.628942      -0.4341393     6.392360      22.17049 9.815667 18.22581 8.235188 3.944677       12.81271 
1 1 1 29 23 17 o 17.91805 5.859046 -2.065845      5.081016      -3.564929      8.260548      -0.5666906     5.923365      18.41471 8.657847 17.42139 7.896540 0.9933262      11.71809 
1 1 1 29 23 18 o 21.54843 6.520367 4.007712       5.158237      9.578268       8.118857      -1.560011      6.360480      26.01959 10.37943 17.07727 7.894816 8.942322       13.04073 
1 1 1 29 23 19 o 21.14025 6.275314 2.098434       5.153278      -4.861396      7.927575      9.061099       6.589310      17.00661 8.152566 25.27390 9.542219 -8.267286      12.55063 
1 1 1 29 23 20 o 18.38032 5.998804 0.5962330      5.163197      1.812928       7.870899      -0.6203204     6.687077      19.47383 8.913107 17.28681 8.031136 2.187021       11.99761 
1 1 1 29 24 0  o 35.92543 15.91689 21.48734       11.97283      21.48734       11.97283      21.48734       11.97283      35.92543 15.91689 35.92543 15.91689 0.000000       0.000000 
1 1 1 29 24 1  o 33.80199 8.267300 12.83715       7.792970      25.91516       12.05077      -0.2439908     9.882903      44.27522 12.85376 23.32876 10.40067 20.94646       16.53460 
1 1 1 29 24 2  o 25.75956 7.952188 2.530590       7.828392      7.084518       11.79572      -2.022630      10.29380      28.83831 12.10195 22.68081 10.31949 6.157501       15.90438 
1 1 1 29 24 3  o 49.03422 8.367025 31.95118       8.274716      26.09937       12.38374      37.80299       10.98100      42.74693 13.18165 55.32150 10.30885 -12.57457      16.73405 
1 1 1 29 24 4  o 39.23737 10.20185 27.26831       12.07910      16.40774       18.85190      38.12179       15.11836      31.75955 14.25637 46.71519 14.59681 -14.95564      20.40370 
1 1 1 29 24 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 24 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 24 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 24 8  o 29.46487 8.203479 12.64586       8.267632      5.224123       13.25513      20.07044       9.875818      24.50626 11.35509 34.42349 11.84272 -9.917236      16.40696 
1 1 1 29 24 9  o 20.51024 6.387873 -1.488457      5.464289      -8.168448      7.785885      5.194368       7.672533      16.72690 8.033189 24.29358 9.934160 -7.566681      12.77575 
1 1 1 29 24 10 f 38.71930 16.25375 27.93425       21.28897      27.93425       21.28897      ?              ?             38.71930 16.25375 ?        ?        ?              ?        
1 1 1 29 24 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 24 12 o 21.63692 6.821938 -0.8721041     6.736668      -5.207120      11.80989      3.462912       6.488710      21.69746 10.24519 21.57637 9.010631 0.1210842      13.64388 
1 1 1 29 24 13 o 36.21765 7.547339 17.16579       6.974707      13.46058       12.23496      20.87099       6.694161      30.89375 12.57423 41.54155 8.350935 -10.64781      15.09468 
1 1 1 29 24 14 o 26.64213 7.792154 9.578268       6.960539      13.43933       12.12161      5.720748       6.839394      29.99452 12.40730 23.28974 9.430246 6.704782       15.58431 
1 1 1 29 24 15 o 18.87913 6.197280 -5.033550      6.412906      -11.50526      11.17229      1.437449       6.301678      18.49902 9.047050 19.25924 8.472072 -0.7602215     12.39456 
1 1 1 29 24 16 o 19.09090 6.351303 -1.607477      6.414322      -1.732873      11.22896      -1.482081      6.200370      21.18687 9.999943 16.99493 7.833092 4.191940       12.70261 
1 1 1 29 24 17 o 29.65696 7.912691 15.38757       6.735251      20.58761       11.87365      10.18045       6.361897      32.59164 12.67600 26.72229 9.474261 5.869350       15.82538 
1 1 1 29 24 18 o 21.36818 6.783026 5.034966       6.023257      9.875818       10.25838      0.1926989      6.320098      25.10147 10.92663 17.63488 8.040308 7.466583       13.56605 
1 1 1 29 25 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 25 1  o 19.99443 6.786239 -3.897193      7.899237      -9.585353      11.02351      1.790258       11.30689      18.11093 8.892350 21.87794 10.25370 -3.767008      13.57248 
1 1 1 29 25 2  o 20.54867 6.835541 -1.878814      7.233293      -3.158278      9.301972      -0.6002004     11.08019      19.39387 9.138325 21.70347 10.16806 -2.309603      13.67108 
1 1 1 29 25 3  f 22.75496 7.264622 0.7559180      7.311223      3.374356       8.409323      -1.862520      11.96575      22.77984 9.904129 22.73007 10.63048 0.4976845E-01  14.52924 
1 1 1 29 25 4  o 46.05248 7.915178 28.32390       7.339560      23.99526       8.444746      32.64546       12.00826      43.71471 9.889011 48.39025 12.36154 -4.675549      15.83036 
1 1 1 29 25 5  o 29.52931 6.700675 5.162488       6.365439      20.82140       8.161365      -10.49217      9.769550      40.73145 10.06390 18.32717 8.849526 22.40428       13.40135 
1 1 1 29 25 6  o 44.66161 11.13325 35.01877       13.47475      33.75773       14.35323      36.28690       22.81215      46.90600 14.13690 42.41723 17.20305 4.488770       22.26650 
1 1 1 29 25 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 29 25 8  o 27.32749 7.427438 -0.5378566     8.246379      -18.57561      13.81481      17.49876       8.997337      19.52337 9.644263 35.13161 11.29847 -15.60824      14.85488 
1 1 1 29 25 9  o 18.21628 6.073309 -4.975457      5.739168      -2.102685      8.678535      -7.849646      7.516674      20.14846 9.279198 16.28410 7.838166 3.864361       12.14662 
1 1 1 29 25 10 o 26.20578 7.581481 7.403321       6.327183      7.771716       8.770633      7.035635       9.117774      26.40757 10.68462 26.00398 10.75892 0.4035950      15.16296 
1 1 1 29 25 11 o 25.59685 7.143949 6.995253       5.807179      14.45950       8.961915      -0.4667280     7.389152      31.76444 11.24654 19.42926 8.812450 12.33519       14.28790 
1 1 1 29 25 12 o 25.37010 7.203518 7.481250       5.713664      5.626524       8.621859      9.344479       7.495420      24.00961 10.22234 26.73059 10.15216 -2.720974      14.40704 
1 1 1 29 25 13 o 43.26652 6.634562 24.68954       5.630774      26.02852       9.039845      23.34349       6.720373      42.98072 10.57455 43.55233 8.015512 -0.5716095     13.26912 
1 1 1 29 25 14 o 28.73286 7.177400 11.98701       5.287884      11.75322       8.395153      12.22079       6.428492      27.98754 10.71066 29.47817 9.557302 -1.490629      14.35480 
1 1 1 29 25 15 o 20.10186 6.263605 2.468246       5.000253      1.436032       7.863815      3.501168       6.179825      20.01617 9.083713 20.18755 8.626537 -0.1713829     12.52721 
1 1 1 29 25 16 o 19.38378 6.001143 0.3079640E-01  5.056929      -6.364731      7.984251      6.426365       6.212414      16.34840 7.912609 22.41916 9.024715 -6.070765      12.00229 
1 1 1 29 25 17 o 31.13491 6.418882 12.55377       6.404404      1.374396       10.91724      23.74022       6.694161      20.56800 9.776058 41.70181 8.320869 -21.13381      12.83776 
1 1 1 29 26 0  f 55.83526 11.89519 39.71581       11.66820      39.71581       11.66820      39.71581       11.66820      55.83526 11.89519 55.83526 11.89519 0.000000       0.000000 
1 1 1 29 26 1  o 58.53059 5.448582 39.77956       6.378191      39.31907       9.061099      40.24714       8.976085      58.08971 7.799228 58.97147 7.610532 -0.8817558     10.89716 
1 1 1 29 26 2  o 32.98283 7.363018 14.67204       5.430991      15.26714       7.700871      14.08402       7.658363      33.64124 10.39900 32.32444 10.42674 1.316799       14.72604 
1 1 1 29 26 3  o 26.92735 7.274196 7.084518       6.214540      17.37832       9.408240      -3.202911      8.125941      34.88580 11.56367 18.96889 8.828209 15.91691       14.54839 
1 1 1 29 26 4  o 23.23638 7.010869 4.082807       5.802220      7.523758       9.153197      0.6422116      7.134109      26.37815 10.82917 20.09461 8.907197 6.283545       14.02174 
1 1 1 29 26 5  o 22.13605 6.772312 2.109770       5.677533      -0.3793051     8.827310      4.599269       7.141194      21.20474 9.623378 23.06736 9.531391 -1.862616      13.54462 
1 1 1 29 26 6  o 24.62834 7.162361 6.108980       5.717914      7.523758       9.167366      4.693493       6.837267      26.38061 10.83510 22.87608 9.370071 3.504528       14.32472 
1 1 1 29 26 7  o 24.22592 7.367705 4.489459       6.845770      3.515338       11.74613      5.464289       7.032801      24.96973 11.22912 23.48211 9.541451 1.487627       14.73541 
1 1 1 29 26 8  o 21.42493 6.630564 2.337891       5.505378      1.506168       8.657280      3.170322       6.799012      21.62520 9.685214 21.22467 9.058373 0.4005318      13.26113 
1 1 1 29 26 9  o 30.92371 6.714467 12.12869       5.829850      26.95659       9.245295      -2.695659      7.105771      44.12248 10.59464 17.72493 8.251658 26.39754       13.42893 
1 1 1 29 26 10 o 20.98211 6.366827 -2.101268      5.641402      12.08619       8.671450      -16.28731      7.219123      28.92957 10.93942 13.03465 6.517295 15.89492       12.73365 
1 1 1 29 26 11 o 23.54312 6.827945 5.365105       5.489793      0.6052303      8.125941      10.12378       7.389152      20.15287 9.169147 26.93338 10.11979 -6.780506      13.65589 
1 1 1 29 26 12 o 24.38419 7.121472 7.736294       5.664781      9.734127       8.607689      5.733500       7.367898      26.05355 10.56698 22.71482 9.549887 3.338736       14.24294 
1 1 1 29 26 13 o 18.37599 5.987449 -2.648901      5.477749      -8.558097      8.423491      3.263129       7.001628      16.24834 7.927293 20.50363 8.975309 -4.255291      11.97490 
1 1 1 29 26 14 o 23.19676 6.787333 6.371107       5.503253      13.85732       8.388069      -1.114395      7.127024      28.70311 10.78266 17.69041 8.246568 11.01270       13.57467 
1 1 1 29 26 15 o 23.98228 7.002922 8.940661       5.554262      7.488335       8.338477      10.39299       7.339560      22.78245 9.883114 25.18211 9.924096 -2.399662      14.00584 
1 1 1 29 27 0  o 13.78059 9.268965 -0.5850395     7.026425      -0.5850395     7.026425      -0.5850395     7.026425      13.78059 9.268965 13.78059 9.268965 0.000000       0.000000 
1 1 1 29 27 1  o 21.20689 6.611838 2.471080       5.501836      3.557136       9.068183      1.385732       6.235793      23.07893 10.15761 19.33486 8.466915 3.744066       13.22368 
1 1 1 29 27 2  o 24.75247 7.123617 7.219123       5.581183      9.812057       9.075267      4.623356       6.496503      27.36608 10.95258 22.13885 9.111792 5.227226       14.24723 
1 1 1 29 27 3  o 29.56284 7.046109 11.09435       5.535842      6.172740       8.692703      16.01101       6.858521      24.46934 10.33428 34.65633 9.580885 -10.18699      14.09222 
1 1 1 29 27 4  o 19.45105 6.244265 -0.1231289     5.372899      -0.3720081     8.742295      0.1257502      6.245002      20.53538 9.396709 18.36672 8.225887 2.168657       12.48853 
1 1 1 29 27 5  o 36.26883 7.006000 17.95925       5.510338      14.65078       8.636027      21.26064       6.847895      31.48246 11.05083 41.05519 8.614826 -9.572729      14.01200 
1 1 1 29 27 6  o 33.51061 7.306287 15.92599       5.609521      15.11836       9.011506      16.72655       6.682117      31.55869 11.26713 35.46253 9.304784 -3.903843      14.61257 
1 1 1 29 27 7  o 34.82425 8.345870 20.34674       7.162447      27.27539       12.36957      13.42516       7.233293      39.02120 13.25926 30.62730 10.13934 8.393902       16.69174 
1 1 1 29 27 8  o 19.12673 5.754689 -7.700871      5.317639      -24.17237      8.402238      8.777717       6.522007      12.73795 6.463348 25.51552 9.523176 -12.77757      11.50938 
1 1 1 29 27 9  o 17.82837 5.917500 -6.275465      5.780259      -15.89766      8.416408      3.346018       7.920490      14.35259 7.162352 21.30415 9.421675 -6.951557      11.83500 
1 1 1 29 27 10 o 18.49653 6.033344 -0.7566265     5.217747      4.818889       8.225125      -6.332142      6.424241      22.22685 9.728802 14.76622 7.138305 7.460629       12.06669 
1 1 1 29 27 11 o 24.68367 7.038332 8.791886       5.451536      12.88674       8.359732      4.694910       6.995961      28.06740 10.70349 21.29993 9.142640 6.767467       14.07666 
1 1 1 29 27 12 o 29.07474 6.647987 11.95158       5.489084      3.082474       8.338477      20.81431       7.141194      20.50741 9.319187 37.64207 9.483442 -17.13466      13.29597 
1 1 1 29 28 0  o 10.52014 7.577440 -7.573349      6.957705      -7.573349      6.957705      -7.573349      6.957705      10.52014 7.577440 10.52014 7.577440 0.000000       0.000000 
1 1 1 29 28 1  o 16.86231 5.629732 -3.563512      4.989626      -4.248586      6.964081      -2.878439      7.148279      16.44601 7.812653 17.27861 8.107897 -0.8325920     11.25946 
1 1 1 29 28 2  o 24.58987 6.574038 6.256337       5.202870      0.8076350      8.388069      11.70362       6.161405      20.24642 9.239552 28.93332 9.354280 -8.686905      13.14808 
1 1 1 29 28 3  o 21.89904 6.565620 3.688200       5.404778      0.2523505      8.713958      7.127024       6.398028      20.15493 9.288237 23.64315 9.282140 -3.488220      13.13124 
1 1 1 29 28 4  o 17.54984 5.718009 -4.750877      5.258838      -12.44750      8.380984      2.942200       6.353395      15.16049 7.494555 19.93919 8.637950 -4.778707      11.43602 
1 1 1 29 28 5  o 20.65410 6.423075 3.406236       5.149736      5.422490       8.218040      1.389274       6.206746      22.67214 9.823023 18.63606 8.278394 4.036079       12.84615 
1 1 1 29 28 6  o 20.00550 6.292432 1.606769       5.311971      -1.089599      8.458915      4.302428       6.429200      19.10516 8.936270 20.90583 8.861257 -1.800669      12.58486 
1 1 1 29 28 7  o 24.64308 7.053423 8.947746       5.506087      13.97067       8.912323      3.930490       6.468873      28.79774 11.03131 20.48842 8.792802 8.309315       14.10685 
1 1 1 29 28 8  o 20.97622 6.495123 4.360521       5.285758      4.770006       8.494337      3.950327       6.294595      21.76237 9.674040 20.19008 8.669455 1.572289       12.99025 
1 1 1 29 28 9  o 19.70761 6.388526 0.7615856      5.933992      -5.378566      8.402238      6.901738       8.380984      16.77741 8.119703 22.63782 9.865268 -5.860401      12.77705 
1 1 1 29 29 0  o 42.17258 10.29709 23.98109       7.516674      23.98109       7.516674      23.98109       7.516674      42.17258 10.29709 42.17258 10.29709 0.000000       0.000000 
1 1 1 29 29 1  o 15.60701 5.290756 -6.721082      4.919489      1.110144       7.084518      -14.55160      6.824516      18.69004 8.519045 12.52398 6.276487 6.166062       10.58151 
1 1 1 29 29 2  o 17.54876 5.769969 -0.8104688     4.949244      -1.869604      7.078141      0.2492333      6.918740      17.07252 8.023173 18.02500 8.294509 -0.9524803     11.53994 
1 1 1 29 29 3  o 22.99151 6.671089 7.545012       4.918780      6.429200       6.713289      8.664365       7.190785      22.04310 9.182796 23.93991 9.679359 -1.896811      13.34218 
1 1 1 29 29 4  o 29.19865 6.130285 10.08127       5.581183      -3.540842      8.636027      23.70480       7.074599      17.53109 8.429371 40.86621 8.903219 -23.33512      12.26057 
1 1 1 30 0  0  o 85.45638 5.450774 74.10406       9.238212      74.10406       9.238212      74.10406       9.238212      85.45638 5.450774 85.45638 5.450774 0.000000       0.000000 
1 1 1 30 0  1  o 99.02210 3.666904 98.68733       7.240376      98.68733       7.240376      98.68733       7.240376      99.02210 3.666904 99.02210 3.666904 0.000000       0.000000 
1 1 1 30 0  2  o 181.6243 3.335612 330.8470       12.10744      330.8470       12.10744      330.8470       12.10744      181.6243 3.335612 181.6243 3.335612 0.000000       0.000000 
1 1 1 30 0  3  o 163.4072 3.341448 267.8656       10.91016      267.8656       10.91016      267.8656       10.91016      163.4072 3.341448 163.4072 3.341448 0.000000       0.000000 
1 1 1 30 0  4  o 122.4484 3.509619 150.6169       8.579351      150.6169       8.579351      150.6169       8.579351      122.4484 3.509619 122.4484 3.509619 0.000000       0.000000 
1 1 1 30 0  5  o 182.2867 3.356563 333.2557       12.22788      333.2557       12.22788      333.2557       12.22788      182.2867 3.356563 182.2867 3.356563 0.000000       0.000000 
1 1 1 30 0  6  o 9.232607 6.628286 -6.857105      5.193660      -6.857105      5.193660      -6.857105      5.193660      9.232607 6.628286 9.232607 6.628286 0.000000       0.000000 
1 1 1 30 0  7  o 40.10510 7.480263 17.71838       5.409029      17.71838       5.409029      17.71838       5.409029      40.10510 7.480263 40.10510 7.480263 0.000000       0.000000 
1 1 1 30 0  8  o 15.28556 9.263907 2.450535       5.124232      2.450535       5.124232      2.450535       5.124232      15.28556 9.263907 15.28556 9.263907 0.000000       0.000000 
1 1 1 30 0  9  o 263.4854 3.776771 696.6207       19.89333      696.6207       19.89333      696.6207       19.89333      263.4854 3.776771 263.4854 3.776771 0.000000       0.000000 
1 1 1 30 0  10 o 33.89973 9.919056 14.24696       5.834100      14.24696       5.834100      14.24696       5.834100      33.89973 9.919056 33.89973 9.919056 0.000000       0.000000 
1 1 1 30 0  11 o 37.14396 9.057871 16.20229       5.824182      16.20229       5.824182      16.20229       5.824182      37.14396 9.057871 37.14396 9.057871 0.000000       0.000000 
1 1 1 30 0  12 o 65.79332 5.568348 44.52619       7.226208      44.52619       7.226208      44.52619       7.226208      65.79332 5.568348 65.79332 5.568348 0.000000       0.000000 
1 1 1 30 0  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 0  14 o 20.90867 11.45361 6.495085       6.754380      6.495085       6.754380      6.495085       6.754380      20.90867 11.45361 20.90867 11.45361 0.000000       0.000000 
1 1 1 30 0  15 o 43.26230 8.118924 20.75764       6.324349      20.75764       6.324349      20.75764       6.324349      43.26230 8.118924 43.26230 8.118924 0.000000       0.000000 
1 1 1 30 0  16 o 27.86152 12.37165 11.57610       7.233293      11.57610       7.233293      11.57610       7.233293      27.86152 12.37165 27.86152 12.37165 0.000000       0.000000 
1 1 1 30 0  17 o 44.27122 7.021396 20.97726       5.841185      20.97726       5.841185      20.97726       5.841185      44.27122 7.021396 44.27122 7.021396 0.000000       0.000000 
1 1 1 30 0  18 o 87.15185 4.190832 76.93786       7.268716      76.93786       7.268716      76.93786       7.268716      87.15185 4.190832 87.15185 4.190832 0.000000       0.000000 
1 1 1 30 0  19 o 64.64705 5.427701 43.12346       6.922283      43.12346       6.922283      43.12346       6.922283      64.64705 5.427701 64.64705 5.427701 0.000000       0.000000 
1 1 1 30 0  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 0  21 o 48.27280 6.666227 24.45576       6.306637      24.45576       6.306637      24.45576       6.306637      48.27280 6.666227 48.27280 6.666227 0.000000       0.000000 
1 1 1 30 0  22 o 73.21464 4.671133 54.85543       6.782717      54.85543       6.782717      54.85543       6.782717      73.21464 4.671133 73.21464 4.671133 0.000000       0.000000 
1 1 1 30 0  23 o 56.34517 5.778680 33.33266       6.388818      33.33266       6.388818      33.33266       6.388818      56.34517 5.778680 56.34517 5.778680 0.000000       0.000000 
1 1 1 30 0  24 o 13.20502 8.601923 0.3576973      5.325432      0.3576973      5.325432      0.3576973      5.325432      13.20502 8.601923 13.20502 8.601923 0.000000       0.000000 
1 1 1 30 0  25 o 24.53996 11.04518 9.330310       5.765380      9.330310       5.765380      9.330310       5.765380      24.53996 11.04518 24.53996 11.04518 0.000000       0.000000 
1 1 1 30 0  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 0  27 o 30.62977 10.80561 13.29056       5.999169      13.29056       5.999169      13.29056       5.999169      30.62977 10.80561 30.62977 10.80561 0.000000       0.000000 
1 1 1 30 0  28 o 10.65661 7.412893 -3.345309      5.360146      -3.345309      5.360146      -3.345309      5.360146      10.65661 7.412893 10.65661 7.412893 0.000000       0.000000 
1 1 1 30 0  29 o 24.87452 10.55414 9.854564       5.291427      9.854564       5.291427      9.854564       5.291427      24.87452 10.55414 24.87452 10.55414 0.000000       0.000000 
1 1 1 30 0  30 o 18.31638 10.19075 6.007671       5.450119      6.007671       5.450119      6.007671       5.450119      18.31638 10.19075 18.31638 10.19075 0.000000       0.000000 
1 1 1 30 0  31 o 15.05567 9.454456 3.215663       5.788759      3.215663       5.788759      3.215663       5.788759      15.05567 9.454456 15.05567 9.454456 0.000000       0.000000 
1 1 1 30 1  0  o 9.165109 6.535573 -5.704454      4.818181      -5.704454      4.818181      -5.704454      4.818181      9.165109 6.535573 9.165109 6.535573 0.000000       0.000000 
1 1 1 30 1  1  o 61.65562 3.387338 38.44059       4.158612      42.76923       5.905654      34.11195       5.856771      65.16391 4.531384 58.14733 5.036148 7.016582       6.774675 
1 1 1 30 1  2  o 73.00420 3.235539 53.84941       4.738834      47.96218       6.229416      59.72957       7.141194      69.01079 4.513364 76.99760 4.637284 -7.986816      6.471078 
1 1 1 30 1  3  o 80.61511 2.883579 65.36884       4.648860      63.71107       6.543260      67.02662       6.604896      79.58906 4.110653 81.64116 4.045077 -2.052101      5.767159 
1 1 1 30 1  4  o 164.9017 2.370363 272.9665       7.821308      270.1327       11.03768      275.8003       11.07310      164.0435 3.364254 165.7600 3.340101 -1.716476      4.740725 
1 1 1 30 1  5  o 139.7522 2.388073 196.0995       6.675741      190.7861       9.259464      201.4128       9.620775      137.8616 3.358247 141.6429 3.396138 -3.781311      4.776147 
1 1 1 30 1  6  f 116.0774 2.517661 135.6685       5.836935      122.3496       8.048012      148.9874       8.458915      110.3532 3.646478 121.8016 3.472415 -11.44838      5.035323 
1 1 1 30 1  7  o 14.41882 4.767442 -5.545053      3.509670      -8.862731      4.945702      -2.227372      4.980416      12.52381 6.103696 16.31383 7.325224 -3.790013      9.534883 
1 1 1 30 1  8  o 26.73991 5.415720 6.185493       3.752669      13.94941       5.412572      -1.579139      5.199328      36.26181 7.696147 17.21802 7.621639 19.04379       10.83144 
1 1 1 30 1  9  o 82.94131 2.987545 69.27242       4.955620      69.62664       6.985334      68.92527       7.031384      83.15462 4.200208 82.72800 4.249701 0.4266281      5.975090 
1 1 1 30 1  10 o 120.7986 2.565897 146.7204       6.198245      148.6332       8.876901      144.7367       8.657280      121.5972 3.650127 120.0000 3.607200 1.597137       5.131794 
1 1 1 30 1  11 o 145.7822 2.476659 213.6691       7.226208      207.0096       10.03876      220.3285       10.38590      143.5109 3.497560 148.0535 3.507482 -4.542618      4.953318 
1 1 1 30 1  12 o 108.4045 3.058395 118.6657       6.617648      113.9190       9.649114      123.3415       9.061099      106.2006 4.542871 110.6083 4.096029 -4.407715      6.116790 
1 1 1 30 1  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 1  14 o 47.75584 5.092818 23.61978       4.869897      27.43834       7.332476      19.80831       6.407947      51.65687 7.097291 43.85482 7.305864 7.802052       10.18564 
1 1 1 30 1  15 o 82.19545 3.200809 68.62772       5.236876      78.14223       7.530843      59.13447       7.275800      87.96111 4.280780 76.42979 4.759793 11.53132       6.401618 
1 1 1 30 1  16 o 71.62846 3.720027 52.26957       5.259546      46.49569       7.970083      58.04346       6.861355      67.51561 5.902400 75.74131 4.529467 -8.225700      7.440053 
1 1 1 30 1  17 o 60.44955 4.157851 37.48418       4.951370      42.25206       6.536885      32.71630       7.438744      64.47622 5.069221 56.42289 6.591956 8.053333       8.315701 
1 1 1 30 1  18 o 23.93186 5.960569 4.014796       4.005587      8.480167       4.989626      -0.4512129     6.267673      28.17018 8.300927 19.69354 8.556177 8.476643       11.92114 
1 1 1 30 1  19 o 51.88041 4.381171 28.00510       4.619106      22.30915       5.450119      33.69397       7.459997      46.63172 5.843790 57.12909 6.529070 -10.49737      8.762342 
1 1 1 30 1  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 1  21 o 117.4682 2.719743 139.9901       6.390944      139.7067       7.977167      140.3443       9.982086      117.5238 3.393852 117.4127 4.250856 0.1111298      5.439486 
1 1 1 30 1  22 o 26.98724 6.338902 7.693786       4.009837      6.905280       5.722874      8.480167       5.617314      26.00128 9.008366 27.97320 8.920543 -1.971924      12.67780 
1 1 1 30 1  23 o 76.13562 3.222965 59.63039       4.890443      51.61780       6.724624      67.64297       7.105771      70.92393 4.740730 81.34731 4.367552 -10.42337      6.445931 
1 1 1 30 1  24 o 33.52414 5.943810 12.97884       4.054470      16.59194       5.914864      9.365732       5.546469      38.36879 7.973203 28.67948 8.817231 9.689312       11.88762 
1 1 1 30 1  25 o 65.93561 3.633119 45.15672       4.784883      42.72673       6.775633      47.57962       6.758630      64.09246 5.285827 67.77875 4.985803 -3.686287      7.266237 
1 1 1 30 1  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 1  27 o 46.40908 4.994905 24.18654       4.477415      20.09169       6.239335      28.27431       6.423533      41.76228 7.760385 51.05588 6.290689 -9.293594      9.989811 
1 1 1 30 1  28 o 16.74032 5.298179 -1.433906      3.775340      -4.753712      5.253170      1.886607       5.423198      14.34386 6.800473 19.13678 8.126277 -4.792920      10.59636 
1 1 1 30 1  29 o 20.95732 5.836112 4.214580       3.669780      6.216664       5.229791      2.213203       5.149027      23.10298 8.546562 18.81166 7.949662 4.291317       11.67222 
1 1 1 30 1  30 o 57.22545 3.956676 36.57737       4.525590      38.28473       6.437701      34.86291       6.361897      58.68096 5.485341 55.76994 5.703697 2.911015       7.913351 
1 1 1 30 1  31 o 20.49019 5.829395 3.745585       4.026131      8.969000       5.823474      -1.477830      5.561347      25.11744 9.048455 15.86294 7.352062 9.254493       11.65879 
1 1 1 30 2  0  o 140.5649 3.325516 198.2957       9.337394      198.2957       9.337394      198.2957       9.337394      140.5649 3.325516 140.5649 3.325516 0.000000       0.000000 
1 1 1 30 2  1  o 132.9483 2.399897 177.5380       6.380316      185.0476       9.124859      170.0284       8.919409      135.7665 3.360496 130.1301 3.427111 5.636414       4.799794 
1 1 1 30 2  2  f 180.2441 2.351115 326.1712       8.480167      317.5989       11.73905      334.7435       12.23496      177.8803 3.299703 182.6079 3.350064 -4.727554      4.702230 
1 1 1 30 2  3  o 64.51457 3.315667 42.01119       4.267005      38.42642       6.025383      45.58887       6.043094      61.73975 4.879662 67.28938 4.490377 -5.549629      6.631334 
1 1 1 30 2  4  o 116.8541 2.453287 137.0854       5.734918      140.2026       8.182618      134.0391       8.033843      118.1684 3.462271 115.5398 3.476656 2.628571       4.906573 
1 1 1 30 2  5  o 140.6800 2.392053 198.7207       6.731000      198.4373       9.514507      198.9332       9.521592      140.5920 3.383729 140.7679 3.382019 -0.1758423     4.784106 
1 1 1 30 2  6  o 45.30001 4.346488 20.80014       3.938284      20.55927       5.495461      21.04102       5.642818      45.04228 6.100336 45.55774 6.193040 -0.5154610     8.692977 
1 1 1 30 2  7  o 45.18849 4.397574 20.72930       3.972997      19.77997       5.572681      21.68571       5.663363      44.13955 6.312572 46.23743 6.124221 -2.097874      8.795149 
1 1 1 30 2  8  o 78.97635 3.032974 62.89635       4.785592      67.00536       6.830184      58.78025       6.705496      81.57474 4.186458 76.37796 4.389680 5.196777       6.065947 
1 1 1 30 2  9  o 103.2664 2.708102 107.4013       5.589684      115.4068       8.048012      99.39579       7.757547      107.1316 3.756134 99.40111 3.902143 7.730499       5.416203 
1 1 1 30 2  10 o 136.1874 2.506832 186.3937       6.828767      187.4563       9.677451      185.3310       9.634944      136.5760 3.542881 135.7987 3.547509 0.7773132      5.013664 
1 1 1 30 2  11 o 68.82337 3.501915 47.93385       4.819597      44.32074       6.639610      51.53987       6.986751      66.21938 5.013344 71.42737 4.890809 -5.207993      7.003829 
1 1 1 30 2  12 o 81.33907 3.495249 67.01246       5.678241      70.25716       7.962997      63.76067       8.097604      83.34413 4.777180 79.33400 5.103489 4.010132       6.990497 
1 1 1 30 2  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 2  14 o 104.7431 2.822075 110.7310       5.911322      113.0689       8.388069      108.3223       8.331393      105.8729 3.961388 103.6133 4.020426 2.259560       5.644149 
1 1 1 30 2  15 o 22.03853 6.148839 3.083890       3.990001      3.246834       5.588976      2.920238       5.696661      22.13285 8.678535 21.94421 8.712975 0.1886444      12.29768 
1 1 1 30 2  16 o 27.91299 6.556968 7.098687       4.621940      11.68946       6.272632      2.505085       6.790511      32.88229 9.187251 22.94369 9.357869 9.938604       13.11394 
1 1 1 30 2  17 o 159.1068 2.644325 255.4677       8.395153      258.4432       10.21588      252.4214       13.33306      160.2386 3.187708 157.9750 4.219992 2.263580       5.288650 
1 1 1 30 2  18 o 47.24796 4.686613 23.02468       4.450494      21.87699       5.423907      24.17946       7.057597      46.21867 5.867658 48.27725 7.309443 -2.058582      9.373226 
1 1 1 30 2  19 o 63.18897 3.696722 40.83516       4.710496      37.74631       5.658404      43.91692       7.530843      60.93535 4.642957 65.44259 5.753778 -4.507236      7.393444 
1 1 1 30 2  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 2  21 o 17.16532 5.473167 -2.101976      3.971580      -3.547218      4.919489      -0.6559555     6.237210      15.03996 6.949222 19.29069 8.457574 -4.250731      10.94633 
1 1 1 30 2  22 o 63.84940 3.656558 41.93326       4.658779      42.50711       5.790885      41.36650       7.297054      64.50324 4.488832 63.19555 5.773392 1.307693       7.313116 
1 1 1 30 2  23 o 36.12013 6.093975 14.65787       4.366188      16.26605       5.805054      13.05677       6.524132      38.38717 7.832378 33.85309 9.338092 4.534081       12.18795 
1 1 1 30 2  24 o 31.08243 6.146939 11.13686       3.973706      10.49217       5.547885      11.78155       5.690993      30.20814 8.705745 31.95672 8.680407 -1.748581      12.29388 
1 1 1 30 2  25 o 19.19682 5.752185 0.2255002      4.011254      3.905694       5.729958      -3.455119      5.615897      22.24124 8.767518 16.15240 7.448568 6.088842       11.50437 
1 1 1 30 2  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 2  27 o 18.32341 5.663266 -1.210744      4.205369      -6.492253      5.753337      4.071473       6.134484      14.48170 6.942910 22.16512 8.949098 -7.683414      11.32653 
1 1 1 30 2  28 o 69.17123 3.534304 50.93060       4.881233      48.01886       6.936451      53.83525       6.869148      67.04767 5.172776 71.29479 4.817427 -4.247124      7.068608 
1 1 1 30 2  29 o 30.63890 5.884561 11.96575       3.943242      6.864897       5.423198      17.05952       5.726415      23.90246 8.719947 37.37533 7.904098 -13.47287      11.76912 
1 1 1 30 2  30 o 32.30592 6.112715 13.85023       4.028256      14.19737       5.679658      13.50309       5.713664      32.80743 8.564785 31.80442 8.723851 1.003012       12.22543 
1 1 1 30 2  31 o 16.70142 5.330792 -0.3010212     3.891525      -3.207161      5.489793      2.604977       5.516714      14.78039 6.981196 18.62245 8.058057 -3.842061      10.66158 
1 1 1 30 3  0  o 89.22351 3.895575 80.26759       6.922991      80.26759       6.922991      80.26759       6.922991      89.22351 3.895575 89.22351 3.895575 0.000000       0.000000 
1 1 1 30 3  1  o 93.47696 2.676633 87.84802       5.004504      91.67366       7.183701      84.02238       6.967623      95.51629 3.760459 91.43764 3.810041 4.078651       5.353267 
1 1 1 30 3  2  o 23.31531 5.928806 4.486625       3.627982      2.093475       5.024340      6.879775       5.235459      20.28062 8.135830 26.35000 8.626195 -6.069382      11.85761 
1 1 1 30 3  3  o 24.54007 5.805302 5.165322       3.632941      1.236248       5.185159      9.096521       5.089518      19.67014 8.124374 29.40999 8.294617 -9.739851      11.61060 
1 1 1 30 3  4  o 115.6069 2.467932 134.2516       5.704454      131.6304       8.033843      136.8020       8.104689      114.4907 3.508514 116.7232 3.471755 -2.232559      4.935864 
1 1 1 30 3  5  o 100.3436 2.584767 101.1669       5.187992      99.60831       7.268716      102.7255       7.403321      99.57124 3.650007 101.1159 3.660811 -1.544617      5.169535 
1 1 1 30 3  6  o 112.8527 2.511682 128.0172       5.670448      122.2788       7.877984      133.7557       8.154280      110.3193 3.570536 115.3861 3.533477 -5.066734      5.023364 
1 1 1 30 3  7  o 68.58370 3.280026 47.51586       4.493001      43.52020       6.252087      51.51153       6.454704      65.67988 4.759515 71.48753 4.514567 -5.807648      6.560053 
1 1 1 30 3  8  o 25.12573 5.981544 5.695244       3.754794      2.323722       5.281508      9.068183       5.338184      20.86891 8.354069 29.38256 8.563001 -8.513651      11.96309 
1 1 1 30 3  9  o 103.3091 2.679811 107.4013       5.533717      113.0689       7.877984      101.7337       7.771716      106.0482 3.714342 100.5700 3.863835 5.478203       5.359623 
1 1 1 30 3  10 o 95.33893 2.832837 91.53197       5.399111      95.85353       7.750463      87.21041       7.523758      97.59623 3.970677 93.08163 4.041484 4.514595       5.665675 
1 1 1 30 3  11 o 117.6744 2.672456 139.3525       6.288927      138.0064       8.883986      140.6985       8.905238      117.1034 3.793224 118.2455 3.765573 -1.142105      5.344913 
1 1 1 30 3  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 3  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 3  14 o 76.27385 3.652282 59.63039       5.360146      72.04955       6.760046      47.23957       8.317224      84.51143 3.999487 68.03626 6.112346 16.47517       7.304565 
1 1 1 30 3  15 o 59.60596 4.642477 36.42859       5.523799      33.41059       7.750463      39.44660       7.870899      57.08515 6.788510 62.12678 6.334547 -5.041626      9.284953 
1 1 1 30 3  16 o 65.26909 3.790854 43.69022       5.017964      35.82641       5.990668      51.55404       8.055097      59.40945 5.041848 71.12873 5.662337 -11.71928      7.581707 
1 1 1 30 3  17 o 107.1940 2.877938 116.1861       6.138027      120.5785       7.594603      111.7937       9.642029      109.3775 3.471739 105.0105 4.590985 4.367065       5.755877 
1 1 1 30 3  18 o 40.08401 6.125059 17.18704       4.891860      20.65137       5.487668      13.72979       8.097604      44.85156 6.117589 35.31646 10.61322 9.535103       12.25012 
1 1 1 30 3  19 o 18.33767 5.732576 -1.150526      4.143734      -1.206493      5.061180      -1.094558      6.563097      17.05722 7.539011 19.61811 8.637883 -2.560883      11.46515 
1 1 1 30 3  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 3  21 o 25.52136 6.331627 6.546094       4.039592      4.874856       5.006629      8.218040       6.341352      23.01927 8.380254 28.02345 9.493648 -5.004175      12.66325 
1 1 1 30 3  22 o 61.99179 3.721610 39.62371       4.627607      38.44059       5.680366      40.80682       7.304138      61.27365 4.635244 62.70994 5.823748 -1.436287      7.443220 
1 1 1 30 3  23 o 65.40743 3.543968 44.15071       4.670114      40.48802       5.717206      47.81341       7.389152      62.85785 4.547726 67.95702 5.436636 -5.099163      7.087935 
1 1 1 30 3  24 o 92.46381 2.979461 87.98971       5.439492      95.71184       6.895361      80.26759       8.416408      96.88412 3.558561 88.04350 4.779687 8.840622       5.958923 
1 1 1 30 3  25 o 43.46991 5.675021 21.31023       4.818889      15.72054       6.376066      26.90700       7.226208      36.96335 8.749640 49.97647 7.229610 -13.01312      11.35004 
1 1 1 30 3  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 3  27 o 35.53386 8.866658 15.64970       9.323226      24.40616       10.71888      6.901738       15.25297      41.92958 12.10644 29.13813 12.95780 12.79145       17.73332 
1 1 1 30 3  28 o 21.15059 6.195241 3.331848       4.338559      0.6442661      5.525924      6.019715       6.691327      18.26493 7.984610 24.03626 9.474706 -5.771326      12.39048 
1 1 1 30 3  29 o 21.94596 5.902768 4.856437       3.798718      1.218537       5.247502      8.494337       5.494043      18.01721 7.828420 25.87471 8.836658 -7.857498      11.80554 
1 1 1 30 3  30 o 17.26019 5.443258 0.4821015      3.819972      0.9613690      5.409029      0.2862853E-02  5.394860      17.62402 7.791106 16.89636 7.603611 0.7276649      10.88652 
1 1 1 30 3  31 o 45.93596 4.915700 26.09228       4.323681      31.80948       6.271924      20.37507       5.953829      52.21106 6.006317 39.66086 7.783353 12.55021       9.831400 
1 1 1 30 4  0  o 87.57570 3.951656 77.36294       6.891110      77.36294       6.891110      77.36294       6.891110      87.57570 3.951656 87.57570 3.951656 0.000000       0.000000 
1 1 1 30 4  1  o 94.72657 2.703529 90.18591       5.118564      94.36578       7.304138      86.07689       7.176617      96.91004 3.768515 92.54310 3.877445 4.366943       5.407059 
1 1 1 30 4  2  o 50.78826 3.939581 26.21272       3.975831      22.25956       5.537968      30.16588       5.705871      46.90431 5.903474 54.67220 5.218256 -7.767891      7.879162 
1 1 1 30 4  3  o 50.29988 4.028718 25.78764       4.014796      30.46342       5.781674      21.11895       5.572681      54.93419 5.262365 45.66558 6.101621 9.268600       8.057435 
1 1 1 30 4  4  o 126.5080 2.427404 160.7477       6.141568      162.9439       8.735210      158.4807       8.636027      127.3870 3.428612 125.6289 3.437117 1.758049       4.854807 
1 1 1 30 4  5  o 74.70235 3.038723 56.20148       4.539051      58.08596       6.456121      54.30991       6.381733      75.96311 4.249510 73.44158 4.344769 2.521530       6.077446 
1 1 1 30 4  6  o 42.06153 4.845539 18.75272       3.869564      24.63995       5.613063      12.86548       5.328974      49.33177 5.689096 34.79128 7.845455 14.54049       9.691077 
1 1 1 30 4  7  o 77.32603 3.012879 60.40969       4.653820      67.08330       6.780592      53.72898       6.376066      81.62657 4.153422 73.02551 4.365644 8.601067       6.025758 
1 1 1 30 4  8  f 81.29742 2.950040 66.55196       4.795510      68.28058       6.794053      64.83042       6.769965      82.35740 4.124737 80.23743 4.218708 2.119965       5.900081 
1 1 1 30 4  9  f 71.95547 3.201284 52.19873       4.606353      53.29683       6.534050      51.10062       6.495085      72.71679 4.492807 71.19417 4.561529 1.522621       6.402567 
1 1 1 30 4  10 o 34.27762 6.023302 12.53251       4.185533      9.528677       6.156446      15.53635       5.671157      30.24227 9.287746 38.31298 7.671925 -8.070709      12.04660 
1 1 1 30 4  11 o 28.24166 6.712860 7.913406       4.687826      3.426073       5.588976      12.39082       7.523758      22.38280 8.698524 34.10053 10.22671 -11.71773      13.42572 
1 1 1 30 4  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 4  13 o 72.41205 4.126396 53.92735       5.738459      64.41244       7.014381      43.43518       9.082352      79.81847 4.393959 65.00562 6.985821 14.81284       8.252791 
1 1 1 30 4  14 o 33.45952 6.351330 12.31289       4.450494      8.402238       5.321890      16.22355       7.134109      28.28551 8.624933 38.63352 9.325669 -10.34800      12.70266 
1 1 1 30 4  15 o 63.92726 4.476802 42.05370       5.705162      48.85484       8.409323      35.24548       7.715039      69.18853 6.077107 58.66599 6.575394 10.52254       8.953605 
1 1 1 30 4  16 o 92.18395 3.072772 86.00604       5.695244      82.10956       6.854271      89.90253       9.096521      90.21835 3.798712 94.14955 4.830889 -3.931198      6.145544 
1 1 1 30 4  17 o 20.77784 6.000535 1.290091       4.164279      -2.983999      5.189409      5.564180       6.514214      16.05364 7.310314 25.50204 9.517616 -9.448399      12.00107 
1 1 1 30 4  18 o 63.08920 5.411494 42.58503       5.944619      54.40201       6.176282      30.76806       10.15920      73.28794 4.213710 52.89046 9.969038 20.39748       10.82299 
1 1 1 30 4  19 o 32.09553 6.420781 11.42024       4.361938      9.394071       5.184450      13.45350       7.016507      29.39698 8.397609 34.79408 9.715239 -5.397097      12.84156 
1 1 1 30 4  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 4  21 o 73.04823 3.404474 54.53662       4.971914      54.45868       6.055846      54.62163       7.885069      73.20074 4.136465 72.89571 5.408459 0.3050385      6.808947 
1 1 1 30 4  22 o 24.39584 6.114145 4.903903       4.106895      8.437660       5.015839      1.367312       6.504296      27.69870 8.358815 21.09299 8.925319 6.605711       12.22829 
1 1 1 30 4  23 o 17.98178 5.579096 -0.7134110     3.920572      -3.965205      4.697035      2.539091       6.279008      14.24429 6.661238 21.71927 8.951713 -7.474978      11.15819 
1 1 1 30 4  24 o 52.03055 4.399628 28.71355       4.572348      28.50101       5.542218      28.91900       7.275800      52.24778 5.303784 51.81332 7.021167 0.4344521      8.799256 
1 1 1 30 4  25 o 26.64023 6.507293 7.552096       4.384608      9.082352       5.345269      6.026091       6.952037      28.12185 8.657870 25.15861 9.717031 2.963242       13.01459 
1 1 1 30 4  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 4  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 4  28 o 18.35519 5.622285 0.6505004      3.883733      2.879148       5.476333      -1.578431      5.507504      20.10122 8.328722 16.60917 7.554650 3.492044       11.24457 
1 1 1 30 4  29 o 21.40212 5.959477 4.604228       3.815721      6.384568       5.345269      2.823180       5.446577      23.22483 8.630658 19.57942 8.220292 3.645405       11.91895 
1 1 1 30 4  30 o 26.99785 5.985493 9.443663       4.019047      4.153653       5.737042      14.74288       5.630066      20.52569 8.515862 33.47002 8.413358 -12.94433      11.97099 
1 1 1 30 4  31 o 30.07922 6.125405 13.11344       4.059429      17.43500       5.994919      8.784801       5.475624      35.48502 8.538110 24.67342 8.785389 10.81160       12.25081 
1 1 1 30 5  0  o 98.96317 3.813608 98.61649       7.523758      98.61649       7.523758      98.61649       7.523758      98.96317 3.813608 98.96317 3.813608 0.000000       0.000000 
1 1 1 30 5  1  o 77.93887 3.017411 61.18190       4.694910      64.87293       6.589310      57.49086       6.689201      80.31045 4.102399 75.56728 4.425991 4.743164       6.034821 
1 1 1 30 5  2  o 68.19951 3.299672 47.08371       4.470331      53.57312       6.347728      40.60137       6.296719      72.95251 4.350589 63.44650 4.962228 9.506016       6.599343 
1 1 1 30 5  3  o 111.5624 2.516565 125.1126       5.614480      118.5240       7.814223      131.7012       8.062181      108.6174 3.597132 114.5074 3.520376 -5.889969      5.033131 
1 1 1 30 5  4  o 69.09459 3.182565 48.28807       4.383191      54.34534       6.328599      42.23081       6.066473      73.46700 4.307104 64.72218 4.686548 8.744820       6.365130 
1 1 1 30 5  5  o 68.62788 3.231017 47.53712       4.427824      51.02978       6.296011      44.05153       6.226583      71.16689 4.423413 66.08888 4.710764 5.078011       6.462034 
1 1 1 30 5  6  o 26.93006 6.158409 7.183701       3.844768      8.954830       5.381400      5.407613       5.492627      29.24065 8.622017 24.61947 8.795727 4.621181       12.31682 
1 1 1 30 5  7  o 92.56572 2.772622 86.21858       5.129899      90.46929       7.297054      82.03871       7.212039      94.83936 3.847060 90.29208 3.993728 4.547272       5.545244 
1 1 1 30 5  8  o 95.06105 2.924875 91.10690       5.605979      85.15590       6.658030      96.98705       9.018591      92.04476 3.616735 98.07733 4.597694 -6.032570      5.849749 
1 1 1 30 5  9  f 25.25160 6.381739 5.703745       4.218830      2.253585       5.034966      9.153197       6.771382      20.42475 8.164876 30.07845 9.810258 -9.653708      12.76348 
1 1 1 30 5  10 o 156.5658 2.628420 246.6829       8.203872      252.2088       10.20879      241.0862       12.85132      158.4491 3.221474 154.6826 4.154091 3.766418       5.256841 
1 1 1 30 5  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 5  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 5  13 o 94.75163 3.194736 90.82352       6.019006      94.15324       7.289969      87.49380       9.578268      96.65052 3.771304 92.85274 5.157773 3.797783       6.389472 
1 1 1 30 5  14 o 28.13996 6.711119 7.863815       4.555345      7.644195       5.375024      8.083434       7.353730      27.26958 8.729063 29.01034 10.19607 -1.740755      13.42224 
1 1 1 30 5  15 o 89.95596 3.367400 82.03871       6.038135      86.85619       8.239295      77.22124       8.827310      92.67359 4.445330 87.23834 5.059306 5.435249       6.734800 
1 1 1 30 5  16 o 84.09978 3.247149 71.69532       5.433117      74.10406       6.680700      69.26533       8.572267      85.67355 3.898929 82.52601 5.193676 3.147537       6.494298 
1 1 1 30 5  17 o 94.42654 3.057258 90.32761       5.725707      95.14508       7.044137      85.58098       9.032760      97.10419 3.627102 91.74891 4.922544 5.355278       6.114516 
1 1 1 30 5  18 o 33.03880 6.490924 9.557014       6.015463      -7.346645      7.304138      26.45359       9.564099      17.24219 8.116642 48.83540 10.13156 -31.59321      12.98185 
1 1 1 30 5  19 o 102.0518 2.934901 105.7719       6.022548      100.6710       7.240376      110.8727       9.627860      99.76668 3.628655 104.3370 4.613830 -4.570297      5.869801 
1 1 1 30 5  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 5  21 o 16.92297 5.403484 -2.754460      3.987875      -0.6542552     4.920197      -4.854311      6.277591      17.15423 7.516389 16.69171 7.764951 0.4625168      10.80697 
1 1 1 30 5  22 o 53.79157 4.263235 30.31465       4.444118      35.30215       5.555679      25.32715       6.937868      58.65963 4.735522 48.92352 7.090524 9.736103       8.526470 
1 1 1 30 5  23 o 50.39214 4.379606 26.74405       4.441284      24.88791       5.440909      28.60728       7.021466      48.87659 5.565967 51.90768 6.763416 -3.031090      8.759212 
1 1 1 30 5  24 o 46.51715 4.826628 23.19471       4.504336      22.23830       5.473498      24.15821       7.155363      45.92311 5.959416 47.11118 7.594124 -1.188072      9.653255 
1 1 1 30 5  25 o 59.69217 5.606309 41.13271       6.645278      40.97685       7.863815      41.28857       10.71888      60.94098 6.451993 58.44336 9.170310 2.497616       11.21262 
1 1 1 30 5  26 f 17.29397 5.721595 -2.497293      4.925157      -5.511755      6.410780      0.5167447      7.481250      15.21258 7.301902 19.37536 8.810721 -4.162777      11.44319 
1 1 1 30 5  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 5  28 o 59.18158 4.070354 38.19972       4.826682      36.71197       6.239335      39.68747       7.367898      58.36565 5.345040 59.99751 6.140170 -1.631863      8.140709 
1 1 1 30 5  29 o 25.69274 5.717416 7.297054       4.019047      15.21754       5.842602      -0.6291052     5.520965      34.50431 8.508791 16.88116 7.639101 17.62315       11.43483 
1 1 1 30 5  30 o 37.47379 5.778927 18.26389       4.230165      21.22522       6.202496      15.29548       5.754045      41.00197 7.843572 33.94560 8.488955 7.056374       11.55785 
1 1 1 30 5  31 o 19.73012 5.918826 4.096268       4.118939      6.317973       6.027507      1.874563       5.615189      21.67603 8.824615 17.78422 7.890258 3.891804       11.83765 
1 1 1 30 6  0  o 128.7395 3.522241 166.4862       9.054014      166.4862       9.054014      166.4862       9.054014      128.7395 3.522241 128.7395 3.522241 0.000000       0.000000 
1 1 1 30 6  1  o 101.6249 2.715317 104.0716       5.513172      113.1397       7.984251      94.93254       7.608772      106.0907 3.762938 97.15916 3.915622 8.931511       5.430635 
1 1 1 30 6  2  o 222.6965 2.515534 498.3958       11.20771      515.4695       16.09602      481.3930       15.59302      226.5052 3.553124 218.8878 3.561876 7.617416       5.031069 
1 1 1 30 6  3  o 34.30824 5.824387 12.54668       3.952453      12.49709       5.474207      12.59627       5.703037      34.25497 8.106450 34.36151 8.365369 -0.1065369     11.64877 
1 1 1 30 6  4  o 39.15881 5.003908 15.89057       3.836974      15.11836       5.415406      16.65570       5.437367      37.86221 7.415882 40.45540 6.720200 -2.593185      10.00782 
1 1 1 30 6  5  o 42.45592 5.005847 19.31948       4.223081      12.27747       4.872732      26.35441       6.898903      34.03558 7.366444 50.87625 6.780083 -16.84066      10.01169 
1 1 1 30 6  6  o 140.1334 2.587431 197.4455       7.240376      198.9332       8.820225      195.8869       11.49109      140.7721 3.132804 139.4947 4.118827 1.277405       5.174862 
1 1 1 30 6  7  o 55.68694 4.055096 31.53319       4.571640      27.70755       5.444452      35.35174       7.346645      52.36197 5.198862 59.01192 6.224713 -6.649956      8.110192 
1 1 1 30 6  8  o 34.85752 5.860478 12.40499       4.417197      18.76689       5.436659      6.033175       6.964081      42.97884 6.324810 26.73621 9.868009 16.24263       11.72096 
1 1 1 30 6  9  o 52.21196 4.697737 27.79965       4.854311      29.52827       5.880150      26.06394       7.722124      53.99892 5.444692 50.42500 7.657039 3.573917       9.395473 
1 1 1 30 6  10 o 32.03263 6.893559 10.83931       4.886900      10.17337       5.724290      11.50526       7.920490      30.89999 8.823048 33.16527 10.59426 -2.265282      13.78712 
1 1 1 30 6  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 6  12 o 35.76942 7.111825 13.74396       5.523090      13.70146       5.829850      13.78647       9.379901      35.64076 8.321605 35.89809 11.53530 -0.2573318     14.22365 
1 1 1 30 6  13 o 95.70877 3.154397 92.59465       6.037426      92.45296       7.219123      92.73634       9.677451      95.78255 3.768496 95.63499 5.059577 0.1475601      6.308794 
1 1 1 30 6  14 o 37.31750 6.237237 15.03335       4.634692      14.95542       5.552136      15.10419       7.424574      37.42794 7.681161 37.20705 9.829154 0.2208900      12.47447 
1 1 1 30 6  15 o 24.28829 6.486866 3.705911       4.656654      -1.533798      6.242169      8.947746       6.912364      18.93744 8.370959 29.63914 9.911850 -10.70170      12.97373 
1 1 1 30 6  16 o 101.2296 3.062349 103.7882       6.215956      99.25409       8.055097      108.3223       9.472000      99.09067 4.064508 103.3685 4.581669 -4.277786      6.124698 
1 1 1 30 6  17 o 73.09408 4.019787 54.77041       5.719331      60.66473       6.395903      48.88317       9.486169      77.42101 4.130599 68.76715 6.897311 8.653854       8.039574 
1 1 1 30 6  18 o 74.34113 3.643478 56.54153       5.321181      62.52087       6.565223      50.56220       8.373900      78.53912 4.179588 70.14314 5.969151 8.395988       7.286956 
1 1 1 30 6  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 6  20 o 41.10286 5.639291 18.64645       4.432783      25.41216       5.673282      11.87365       6.811764      49.61557 5.717240 32.59015 9.722117 17.02542       11.27858 
1 1 1 30 6  21 o 64.04076 3.719707 42.23789       4.716872      44.84500       5.858896      39.63079       7.396237      66.28629 4.419388 61.79523 5.984472 4.491051       7.439415 
1 1 1 30 6  22 o 28.46594 6.270816 9.032760       4.090600      5.294260       5.046302      12.76630       6.439118      23.42319 8.424552 33.50869 9.290827 -10.08549      12.54163 
1 1 1 30 6  23 o 37.69265 5.746764 15.84807       4.293926      17.39249       5.289301      14.30364       6.765006      40.44668 6.538610 34.93863 9.452394 5.508053       11.49353 
1 1 1 30 6  24 o 16.61562 5.425683 -3.700952      4.264171      -2.520671      5.247502      -4.881233      6.723207      16.11275 7.340948 17.11849 7.991408 -1.005735      10.85137 
1 1 1 30 6  25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 6  26 o 20.19807 5.957130 1.812928       4.208204      4.414363       5.269464      -0.7885069     6.563097      21.67345 8.441418 18.72269 8.407858 2.950754       11.91426 
1 1 1 30 6  27 o 31.81852 6.052536 12.28455       4.332891      16.96742       5.346686      7.601687       6.820265      38.16323 7.266554 25.47381 9.681422 12.68941       12.10507 
1 1 1 30 6  28 o 20.84463 5.952288 3.385691       4.028256      5.525924       4.980416      1.244750       6.332850      22.29296 8.321630 19.39629 8.512897 2.896671       11.90458 
1 1 1 30 6  29 o 23.18713 6.200137 6.400154       4.042426      6.900320       4.936492      5.900695       6.402279      23.55958 8.346403 22.81469 9.170841 0.7448978      12.40027 
1 1 1 30 6  30 o 25.72525 5.717325 6.544678       4.450494      17.47042       6.216664      -4.383899      6.371107      35.96381 8.720571 15.48670 7.396138 20.47711       11.43465 
1 1 1 30 7  0  o 49.16125 6.161980 25.46176       5.903528      25.46176       5.903528      25.46176       5.903528      49.16125 6.161980 49.16125 6.161980 0.000000       0.000000 
1 1 1 30 7  1  o 106.2343 2.824528 113.5648       5.967998      117.8864       7.289969      109.3141       9.450747      108.3351 3.364546 104.1335 4.537805 4.201637       5.649057 
1 1 1 30 7  2  o 145.0029 2.587942 211.4729       7.552096      200.9169       8.905238      222.0997       12.20662      141.4692 3.147413 148.5366 4.108962 -7.067398      5.175884 
1 1 1 30 7  3  o 54.59975 4.295661 30.29340       4.619813      32.94301       5.580475      27.65087       7.360813      57.12719 4.884255 52.07231 7.067878 5.054878       8.591323 
1 1 1 30 7  4  o 129.3648 2.634342 168.3990       6.770674      176.6170       8.359732      160.1101       10.64803      132.6377 3.151341 126.0918 4.222332 6.545845       5.268684 
1 1 1 30 7  5  f 40.80571 5.535462 17.60503       4.309512      22.58544       5.347394      12.62461       6.759338      47.22837 5.661209 34.38304 9.513993 12.84534       11.07092 
1 1 1 30 7  6  o 31.68923 6.507410 10.52051       4.438450      10.81806       5.360855      10.22296       7.074599      31.87338 8.320939 31.50508 10.00737 0.3683090      13.01482 
1 1 1 30 7  7  o 147.9970 2.665623 220.2577       7.870899      224.2959       9.535762      216.2903       12.51834      149.4606 3.190058 146.5334 4.271500 2.927277       5.331245 
1 1 1 30 7  8  o 102.4227 2.982952 105.7010       6.100478      106.9054       7.502505      104.4966       9.620775      103.1049 3.638288 101.7405 4.728094 1.364365       5.965904 
1 1 1 30 7  9  o 57.77414 4.505233 34.01986       5.193660      34.39534       6.259880      33.65146       8.288886      58.24820 5.373454 57.30008 7.232875 0.9481201      9.010466 
1 1 1 30 7  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 7  11 o 34.08896 7.107324 12.63170       5.217039      10.74013       6.432742      14.53035       8.218040      31.68773 9.446718 36.49018 10.62148 -4.802446      14.21465 
1 1 1 30 7  12 o 20.36526 6.179707 -0.2347809     4.637525      1.344641       5.344560      -1.814345      7.580434      19.88517 8.232863 20.84536 9.218192 -0.9601841     12.35941 
1 1 1 30 7  13 o 40.16912 5.928457 17.76089       4.721123      12.04368       5.539385      23.48518       7.644195      33.43465 8.309667 46.90358 8.457888 -13.46893      11.85691 
1 1 1 30 7  14 o 40.05787 6.004706 17.43500       4.983250      28.03344       6.614814      6.842227       7.452912      52.34958 6.317926 27.76616 10.21322 24.58341       12.00941 
1 1 1 30 7  15 o 42.93738 5.444091 19.45408       4.601394      17.88132       5.543635      21.02685       7.346645      41.71035 6.645396 44.16441 8.625035 -2.454067      10.88818 
1 1 1 30 7  16 o 20.12362 6.012809 -1.198700      4.537633      4.403028       6.419281      -6.799720      6.415030      24.17264 9.337066 16.07459 7.578568 8.098055       12.02562 
1 1 1 30 7  17 o 62.53220 4.387631 40.49511       5.640693      34.01277       5.854646      46.98452       9.642029      57.77761 5.066535 67.28678 7.164876 -9.509174      8.775263 
1 1 1 30 7  18 o 78.41241 3.484342 62.96719       5.353062      71.19940       6.776341      54.74207       8.288886      83.81084 4.042640 73.01398 5.676232 10.79686       6.968683 
1 1 1 30 7  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 7  20 o 25.41957 6.364406 6.262714       4.093434      6.780592       5.214913      5.744836       6.311597      25.63884 8.609248 25.20030 9.375687 0.4385452      12.72881 
1 1 1 30 7  21 o 36.55006 6.109265 15.04043       4.417905      13.64478       5.739168      16.43608       6.717540      34.94254 8.320262 38.15759 8.947945 -3.215050      12.21853 
1 1 1 30 7  22 o 34.67014 6.034463 13.47475       4.253545      16.03935       5.368648      10.91016       6.598520      38.29918 7.271853 31.04110 9.632193 7.258080       12.06893 
1 1 1 30 7  23 f 55.25404 4.457304 32.70213       4.704828      39.66621       5.914155      25.73097       7.318307      61.88738 4.778160 48.62070 7.525917 13.26668       8.914608 
1 1 1 30 7  24 o 21.77593 5.984601 2.264920       4.193326      6.926533       5.290718      -2.396692      6.506421      25.38237 8.671597 18.16949 8.250165 7.212885       11.96920 
1 1 1 30 7  25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 7  26 o 34.35169 6.903163 14.72871       5.195786      19.03610       7.084518      10.42841       7.601687      39.55760 9.132809 29.14578 10.35406 10.41181       13.80633 
1 1 1 30 7  27 o 54.26105 4.763448 33.33266       4.700578      41.93326       6.000587      24.73914       7.240376      62.96507 4.765013 45.55704 8.249631 17.40802       9.526896 
1 1 1 30 7  28 o 23.89749 6.628581 6.937160       4.712621      4.538342       5.012296      9.337394       7.984251      21.02439 8.223776 26.77059 10.39817 -5.746195      13.25716 
1 1 1 30 7  29 o 92.15392 3.531092 92.80718       6.501462      90.11507       7.091603      95.49931       10.89599      92.42500 3.836409 91.88283 5.929285 0.5421753      7.062184 
1 1 1 30 7  30 o 19.41877 6.070946 3.127815       4.648860      -0.2050968     5.051261      6.461080       7.807138      16.05583 7.284076 22.78171 9.714308 -6.725882      12.14189 
1 1 1 30 8  0  o 58.02437 5.733876 34.85583       6.535468      34.85583       6.535468      34.85583       6.535468      58.02437 5.733876 58.02437 5.733876 0.000000       0.000000 
1 1 1 30 8  1  o 68.16967 3.640266 47.32458       4.928699      38.97902       6.766423      55.66306       7.169532      62.07137 5.450519 74.26797 4.826799 -12.19661      7.280532 
1 1 1 30 8  2  o 80.71761 3.245713 65.70182       5.240418      64.45494       7.282885      66.94160       7.537927      79.95893 4.554141 81.47629 4.625841 -1.517357      6.491426 
1 1 1 30 8  3  o 70.55895 3.447091 50.30716       4.865647      46.97744       6.688493      53.62980       7.067515      68.22001 4.902149 72.89790 4.847544 -4.677887      6.894182 
1 1 1 30 8  4  o 107.3523 2.828952 115.9736       6.058680      117.9572       7.374983      113.9899       9.613690      108.3629 3.402911 106.3418 4.520186 2.021111       5.657905 
1 1 1 30 8  5  o 86.74377 3.209231 75.87518       5.587560      73.74983       6.637485      78.00054       8.990252      85.62354 3.875969 87.86400 5.116005 -2.240456      6.418461 
1 1 1 30 8  6  o 74.37646 3.573303 55.89685       5.295677      57.15081       6.402987      54.64997       8.437660      75.32072 4.250483 73.43221 5.745205 1.888512       7.146606 
1 1 1 30 8  7  o 117.5346 2.864650 139.2108       6.764297      134.3933       8.026759      143.9574       10.88890      115.6256 3.471014 119.4437 4.558173 -3.818169      5.729300 
1 1 1 30 8  8  o 110.3711 3.047442 123.1289       6.642444      133.8265       8.310139      112.4313       10.36465      115.3223 3.603006 105.4199 4.915888 9.902382       6.094883 
1 1 1 30 8  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 8  10 o 64.73080 12.62629 0.000000       0.000000      ?              ?             46.92785       15.76305      ?        ?        64.73080 12.62629 ?              ?        
1 1 1 30 8  11 o 81.93657 3.509906 68.18848       5.661947      74.38744       6.896070      61.97536       8.983169      85.86419 4.015685 78.00896 5.757781 7.855232       7.019812 
1 1 1 30 8  12 o 54.96121 4.415570 31.11520       4.937909      25.45467       5.769631      36.77573       8.012589      50.00260 5.769331 59.91982 6.686093 -9.917217      8.831140 
1 1 1 30 8  13 o 67.99452 3.859289 47.00578       5.234042      47.55837       6.115356      46.45318       8.494337      68.58047 4.458526 67.40858 6.300635 1.171890       7.718578 
1 1 1 30 8  14 o 21.60640 6.379233 1.345350       4.634692      2.058053       5.970123      0.6327183      7.091603      21.42375 8.762218 21.78905 9.273726 -0.3652992     12.75847 
1 1 1 30 8  15 o 93.44524 3.062112 88.41478       5.734209      86.85619       7.043427      89.97337       9.046929      92.75429 3.796820 94.13619 4.805234 -1.381905      6.124224 
1 1 1 30 8  16 o 43.56284 5.527422 20.49551       4.515672      26.61653       5.747669      14.37449       6.965498      51.01829 5.632950 36.10738 9.512070 14.91090       11.05484 
1 1 1 30 8  17 f 40.92822 5.574100 18.72438       4.511421      31.07978       5.661238      6.373940       7.026425      55.18803 5.129045 26.66840 9.898246 28.51963       11.14820 
1 1 1 30 8  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 8  19 o 25.99006 6.572246 4.268422       5.170281      9.464915       5.302053      -0.9245296     8.876901      29.32963 8.529595 22.65048 10.00118 6.679148       13.14449 
1 1 1 30 8  20 o 27.87112 6.431750 7.984251       4.294635      9.719957       5.211371      6.243586       6.826642      29.66857 8.401629 26.07367 9.740752 3.594896       12.86350 
1 1 1 30 8  21 o 37.45031 5.840859 15.39466       4.357687      17.29331       5.441618      13.48892       6.807514      40.54178 6.711123 34.35884 9.561557 6.182945       11.68172 
1 1 1 30 8  22 o 58.75493 4.187254 36.54903       4.727499      44.40576       6.099061      28.69230       7.226208      65.66257 4.644245 51.84728 6.968744 13.81530       8.374509 
1 1 1 30 8  23 o 56.89157 4.097364 34.09778       4.695619      31.11520       5.788759      37.08037       7.396237      54.62501 5.298635 59.15813 6.251243 -4.533119      8.194728 
1 1 1 30 8  24 o 24.85168 7.605542 2.880565       7.998421      6.166365       6.907404      -0.4058720     14.43116      24.35787 9.618555 25.34550 11.78391 -0.9876347     15.21108 
1 1 1 30 8  25 o 22.89197 7.301156 1.214995       8.048012      11.56193       9.875818      -9.131943      12.71671      26.50773 11.09618 19.27622 9.492223 7.231512       14.60231 
1 1 1 30 8  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 8  27 o 17.98900 5.773170 -0.6265547     4.494419      -2.369771      4.994585      1.116520       7.474166      15.27542 7.036658 20.70257 9.154419 -5.427151      11.54634 
1 1 1 30 8  28 o 36.14331 6.630046 17.41375       5.034966      16.06060       5.256712      18.76689       8.586436      36.51116 7.456663 35.77546 10.96486 0.7356987      13.26009 
1 1 1 30 8  29 o 22.56192 6.453458 5.955954       4.682866      6.112522       5.314096      5.800095       7.715039      22.31455 8.526777 22.80928 9.689301 -0.4947300     12.90692 
1 1 1 30 8  30 o 17.70733 5.733056 0.9280718      4.557470      -1.105185      5.173115      2.961328       7.502505      15.44640 7.132855 19.96826 8.977420 -4.521863      11.46611 
1 1 1 30 9  0  o 51.50341 6.498877 27.98384       6.521298      27.98384       6.521298      27.98384       6.521298      51.50341 6.498877 51.50341 6.498877 0.000000       0.000000 
1 1 1 30 9  1  o 59.16009 4.055634 35.48635       4.794801      37.56920       6.840102      33.39642       6.721082      60.91671 5.614307 57.40347 5.854248 3.513245       8.111268 
1 1 1 30 9  2  o 73.27882 3.491024 54.40201       5.100852      60.72849       7.339560      48.06845       7.084518      77.58552 4.729981 68.97211 5.135784 8.613403       6.982048 
1 1 1 30 9  3  f 41.24129 5.518593 17.94508       4.407987      22.06827       6.142985      13.81481       6.323640      46.57258 6.595067 35.91000 8.850117 10.66258       11.03719 
1 1 1 30 9  4  o 65.63273 3.848124 43.90276       5.009462      51.28483       7.190785      36.52777       6.975416      71.24187 5.046741 60.02359 5.810563 11.21828       7.696248 
1 1 1 30 9  5  o 75.60957 3.587229 57.85926       5.426741      54.20364       7.495420      61.50778       7.842561      73.21335 5.118889 78.00581 5.026909 -4.792458      7.174458 
1 1 1 30 9  6  o 46.72758 5.416274 22.79089       4.913821      25.15004       6.802555      20.43883       7.091603      49.61693 6.855074 43.83823 8.387611 5.778702       10.83255 
1 1 1 30 9  7  o 52.92453 7.491964 30.12337       7.821308      30.89558       12.57502      29.34407       9.294888      52.70017 12.16787 53.14890 8.744196 -0.4487228     14.98393 
1 1 1 30 9  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 9  9  o 87.10402 4.234773 77.57547       7.410406      84.37660       11.27855      70.80976       9.606606      90.85346 6.207002 83.35458 5.762495 7.498878       8.469546 
1 1 1 30 9  10 f 104.4939 3.053074 111.2978       6.524841      90.75267       7.311223      131.8429       10.81097      94.87380 3.853130 114.1139 4.736922 -19.24011      6.106148 
1 1 1 30 9  11 o 24.68654 6.708402 3.754086       4.979708      6.111814       5.445160      1.396359       8.338477      25.30779 8.785248 24.06530 10.14052 1.242483       13.41680 
1 1 1 30 9  12 o 20.30062 6.045635 0.6147236      4.308095      -2.964871      5.070390      4.194035       6.966206      15.89040 7.233305 24.71085 9.689073 -8.820455      12.09127 
1 1 1 30 9  13 o 132.4192 2.772590 176.9713       7.318307      180.0176       8.898154      173.9249       11.63278      133.7281 3.326956 131.1102 4.436259 2.617920       5.545181 
1 1 1 30 9  14 o 37.59936 6.426525 15.55760       4.815347      12.73796       6.206746      18.38432       7.367898      34.18029 8.967406 41.01842 9.207958 -6.838131      12.85305 
1 1 1 30 9  15 o 40.54474 5.777865 17.84590       4.549677      25.13587       5.553554      10.55593       7.204955      49.59681 5.598700 31.49267 10.10888 18.10414       11.55573 
1 1 1 30 9  16 o 25.32200 6.499173 5.044885       4.966955      -3.948202      4.995294      14.03443       8.586436      15.02479 6.965236 35.61921 10.97463 -20.59442      12.99835 
1 1 1 30 9  17 o 69.58484 3.797590 49.63413       5.264505      51.65322       6.868440      47.61504       7.977167      71.16252 4.825883 68.00715 5.864948 3.155373       7.595180 
1 1 1 30 9  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 9  19 o 35.88273 5.976504 13.92108       4.400194      17.05952       5.399819      10.78972       6.949912      40.45137 6.674458 31.31409 9.915947 9.137281       11.95301 
1 1 1 30 9  20 o 33.70098 5.919686 13.15595       4.333600      5.178074       5.380691      21.13312       6.794761      23.58150 8.677587 43.82045 8.054207 -20.23895      11.83937 
1 1 1 30 9  21 o 35.58057 6.208284 14.45242       4.447660      11.99409       5.373607      16.90366       7.091603      32.70913 8.217939 38.45201 9.307881 -5.742874      12.41657 
1 1 1 30 9  22 o 85.82634 3.160082 75.94603       5.446577      72.68716       6.727458      79.27575       8.565183      84.22382 3.993798 87.42886 4.898373 -3.205032      6.320164 
1 1 1 30 9  23 o 20.66693 6.127012 1.852602       4.311637      2.160778       5.271589      1.544425       6.823808      19.96207 8.210579 21.37180 9.096565 -1.409733      12.25402 
1 1 1 30 9  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 9  25 o 19.44917 6.248590 -0.4016922     5.252461      -2.963454      5.295677      2.160069       9.075267      15.59335 7.206867 23.30499 10.20983 -7.711639      12.49718 
1 1 1 30 9  26 o 30.78809 6.756612 11.82406       5.044885      13.28347       5.297094      10.37173       8.586436      33.13621 8.059090 28.43997 10.84704 4.696241       13.51322 
1 1 1 30 9  27 o 39.74389 6.238971 19.71621       5.020089      23.42141       5.627233      16.00393       8.317224      45.91606 6.127739 33.57171 10.86968 12.34435       12.47794 
1 1 1 30 9  28 o 32.07896 6.731832 14.11944       4.944993      14.23280       5.285050      14.00609       8.359732      33.66444 7.964179 30.49347 10.85551 3.170971       13.46366 
1 1 1 30 9  29 o 34.21749 5.846435 15.47967       4.373981      21.23938       5.564180      9.712874       6.749420      42.48563 6.548309 25.94936 9.687251 16.53627       11.69287 
1 1 1 30 10 0  o 30.06997 11.28539 12.40499       6.313722      12.40499       6.313722      12.40499       6.313722      30.06997 11.28539 30.06997 11.28539 0.000000       0.000000 
1 1 1 30 10 1  o 43.10170 5.705285 19.81540       4.742376      13.94233       6.677158      25.68138       6.735959      36.00790 9.229338 50.19550 6.709725 -14.18760      11.41057 
1 1 1 30 10 2  o 63.97242 3.965240 41.49402       5.072515      42.95343       7.226208      40.04170       7.119940      65.10383 5.549757 62.84102 5.665042 2.262810       7.930480 
1 1 1 30 10 3  o 30.85607 6.654320 9.925409       4.542593      7.601687       6.331434      12.25622       6.515631      27.90112 9.486220 33.81102 9.334427 -5.909895      13.30864 
1 1 1 30 10 4  o 81.20158 3.577217 66.82117       5.802928      72.04955       8.359732      61.62113       8.055097      84.39404 4.952797 78.00913 5.162919 6.384911       7.154434 
1 1 1 30 10 5  o 30.96965 8.445551 7.622942       7.481250      6.897486       8.919409      8.345562       12.02243      29.15703 11.07435 32.78226 12.75414 -3.625233      16.89110 
1 1 1 30 10 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 10 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 10 8  o 18.23888 5.860768 -3.564929      4.678616      -3.914904      6.533343      -3.214246      6.699120      17.89568 8.163416 18.58208 8.411484 -0.6864033     11.72154 
1 1 1 30 10 9  o 127.2649 2.773727 163.4398       7.061139      153.8757       9.755382      173.0748       10.20879      123.5178 3.948977 131.0119 3.896131 -7.494041      5.547455 
1 1 1 30 10 10 o 71.67912 3.672221 52.13497       5.260254      52.96386       7.353730      51.30608       7.530843      72.26980 5.087692 71.08844 5.296813 1.181358       7.344442 
1 1 1 30 10 11 o 148.0468 2.935248 221.4620       8.643111      234.3559       11.27147      208.5682       13.09927      152.5065 3.695406 143.5872 4.561436 8.919296       5.870496 
1 1 1 30 10 12 o 36.61903 6.173368 14.62245       4.538342      18.81648       6.412906      10.43549       6.424241      41.97542 7.928205 31.26263 9.464959 10.71279       12.34674 
1 1 1 30 10 13 o 49.09665 5.461589 25.36257       5.206412      24.55494       8.005506      26.16313       6.655904      47.74582 8.706160 50.44749 6.596864 -2.701668      10.92318 
1 1 1 30 10 14 o 52.66662 4.608572 28.68521       4.833058      24.71788       6.681408      32.64546       6.985334      48.93749 6.826473 56.39574 6.193140 -7.458256      9.217143 
1 1 1 30 10 15 o 39.31147 5.842448 16.79739       4.451911      18.76689       6.157863      14.83498       6.431325      41.84621 7.641452 36.77672 8.839966 5.069489       11.68490 
1 1 1 30 10 16 o 24.51036 6.742746 4.636108       4.775673      3.673322       5.997045      5.598186       7.431659      22.83873 8.980138 26.18200 10.06060 -3.343267      13.48549 
1 1 1 30 10 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 10 18 f 34.80718 6.282182 13.52434       4.395943      14.27530       6.198245      12.77339       6.235084      35.80627 8.723430 33.80810 9.042400 1.998165       12.56436 
1 1 1 30 10 19 o 31.16179 6.461383 10.76847       4.387442      7.927575       6.213122      13.60936       6.196119      27.50581 9.397163 34.81776 8.870807 -7.311951      12.92277 
1 1 1 30 10 20 o 20.62574 6.086471 1.485623       4.242918      -0.8359731     5.795135      3.807220       6.198953      18.36319 8.097992 22.88830 9.088621 -4.525118      12.17294 
1 1 1 30 10 21 o 36.07674 6.142388 14.89166       4.385316      15.16087       6.053012      14.62245       6.347020      36.51652 8.449078 35.63696 8.917894 0.8795662      12.28478 
1 1 1 30 10 22 o 37.43215 6.652746 16.66987       5.085975      11.65403       6.748003      21.68571       7.608772      31.54777 9.730867 43.31652 9.074490 -11.76875      13.30549 
1 1 1 30 10 23 o 19.55990 6.153514 -2.274839      5.217039      3.758337       6.957705      -8.310139      7.771716      22.50499 9.360142 16.61481 7.990664 5.890182       12.30703 
1 1 1 30 10 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 10 25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 10 26 o 23.67121 6.483566 5.358021       4.600686      8.869816       6.364022      1.846225       6.645986      26.89877 9.481992 20.44365 8.845245 6.455118       12.96713 
1 1 1 30 10 27 o 23.63997 6.342120 6.438409       4.219539      4.297468       5.958787      8.579351       5.975791      21.38015 8.750728 25.89979 9.182302 -4.519634      12.68424 
1 1 1 30 10 28 o 24.36537 6.350861 7.722124       4.131691      6.563805       6.040968      8.883986       5.637859      23.04882 9.025713 25.68192 8.937016 -2.633091      12.70172 
1 1 1 30 10 29 o 39.90096 6.022796 21.54402       4.768589      16.71238       7.219123      26.36857       6.231542      32.90351 10.04779 46.89840 6.643661 -13.99490      12.04559 
1 1 1 30 11 0  o 33.51467 18.59571 17.67587       18.07969      17.67587       18.07969      17.67587       18.07969      33.51467 18.59571 33.51467 18.59571 0.000000       0.000000 
1 1 1 30 11 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 11 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 11 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 11 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 11 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 11 6  o 60.23977 4.536184 37.24331       5.440909      41.19647       7.686701      33.29015       7.700871      63.52225 6.050401 56.95729 6.760215 6.564964       9.072368 
1 1 1 30 11 7  o 58.55629 4.386447 35.02586       5.138401      34.37408       7.105771      35.67764       7.424574      58.02727 6.122787 59.08532 6.282927 -1.058048      8.772895 
1 1 1 30 11 8  o 52.15488 4.692453 27.86341       4.893277      28.94025       6.977541      26.78656       6.862772      53.17688 6.560691 51.13289 6.710722 2.043995       9.384906 
1 1 1 30 11 9  o 78.21523 3.448574 62.13831       5.380691      55.69847       7.495420      68.57105       7.722124      74.11581 5.056560 82.31464 4.690614 -8.198830      6.897149 
1 1 1 30 11 10 o 18.76082 5.831424 -2.309553      4.408695      -6.303804      6.137318      1.684698       6.330016      15.88804 7.467811 21.63360 8.958450 -5.745566      11.66285 
1 1 1 30 11 11 o 97.11044 3.064653 95.35760       5.951704      92.59465       8.359732      98.19141       8.473083      95.67702 4.368725 98.54385 4.299143 -2.866837      6.129306 
1 1 1 30 11 12 o 102.2720 2.987463 105.8427       6.109688      107.1888       8.551013      104.4258       8.728126      102.9595 4.152612 101.5845 4.295994 1.374977       5.974927 
1 1 1 30 11 13 o 104.6103 3.350869 111.1561       6.987460      107.0471       10.54176      115.2651       9.174451      102.5355 5.140543 106.6851 4.299781 -4.149597      6.701738 
1 1 1 30 11 14 o 94.55867 3.154773 90.68183       5.966581      91.81535       8.529759      89.61916       8.345562      95.12431 4.483480 93.99304 4.439457 1.131264       6.309546 
1 1 1 30 11 15 o 28.03237 6.758112 7.722124       4.674365      9.762465       6.065056      5.683908       7.112856      30.05204 9.216359 26.01270 9.886711 4.039341       13.51622 
1 1 1 30 11 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 11 17 o 20.62740 6.165877 -0.6008379     4.735292      -5.432408      7.233293      4.230875       6.113939      17.89706 8.329309 23.35773 9.093666 -5.460663      12.33175 
1 1 1 30 11 18 o 32.58756 6.179513 11.87365       4.302428      16.72655       6.320098      7.021466       5.839768      38.90503 8.362683 26.27010 9.100057 12.63493       12.35903 
1 1 1 30 11 19 o 29.63650 6.930789 9.493254       4.860687      11.34940       6.576558      7.637110       7.162447      31.69126 9.572864 27.58174 10.02515 4.109516       13.86158 
1 1 1 30 11 20 o 32.10760 6.472768 11.72488       4.852186      3.753378       6.186910      19.68787       7.474166      22.71880 9.061353 41.49640 9.245473 -18.77759      12.94554 
1 1 1 30 11 21 o 35.00671 6.723906 14.67912       4.959870      9.882903       6.398736      19.47534       7.580434      29.32214 9.536492 40.69127 9.481505 -11.36913      13.44781 
1 1 1 30 11 22 o 31.25647 7.016613 10.93850       5.195786      14.32489       6.682117      7.552096       7.955913      35.00665 9.360026 27.50628 10.45568 7.500374       14.03323 
1 1 1 30 11 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 11 24 o 63.42304 4.297399 43.49894       5.438785      47.50169       7.785885      39.49619       7.594603      66.51633 5.852612 60.32976 6.294242 6.186565       8.594798 
1 1 1 30 11 25 o 23.50060 6.639863 5.651320       4.743084      7.481250       7.254546      3.822098       6.108980      25.51450 9.911346 21.48670 8.838346 4.027802       13.27973 
1 1 1 30 11 26 o 33.65302 6.798134 15.05460       4.835892      17.64754       7.396237      12.46167       6.235084      36.37668 9.902426 30.92937 9.316677 5.447309       13.59627 
1 1 1 30 11 27 o 42.05495 6.033116 22.32332       4.953495      19.96417       7.622942      24.68246       6.330725      38.01262 9.921812 46.09727 6.866702 -8.084660      12.06623 
1 1 1 30 11 28 o 37.29665 6.395189 19.22029       4.777090      23.25139       7.523758      15.18921       5.892902      41.04667 9.367852 33.54662 8.708449 7.500053       12.79038 
1 1 1 30 11 29 o 23.29623 6.572858 8.111773       4.629024      8.933578       7.080267      7.289969       5.964456      23.98051 9.642242 22.61196 8.935156 1.368549       13.14572 
1 1 1 30 12 0  o 18.59345 12.54988 -3.823514      13.08510      -3.823514      13.08510      -3.823514      13.08510      18.59345 12.54988 18.59345 12.54988 0.000000       0.000000 
1 1 1 30 12 1  o 34.89403 9.139438 8.579351       9.479085      22.01160       14.17612      -4.856437      12.58210      44.27673 14.17638 25.51134 11.53896 18.76539       18.27888 
1 1 1 30 12 2  o 25.18526 6.600031 1.862520       5.321181      11.27147       7.396237      -7.545012      7.651280      32.57066 10.21615 17.79986 8.358941 14.77080       13.20006 
1 1 1 30 12 3  o 45.17829 5.935707 22.04702       5.175241      28.80565       7.459997      15.28839       7.176617      52.92619 7.047549 37.43039 9.553142 15.49580       11.87141 
1 1 1 30 12 4  o 65.64734 4.153401 43.95235       5.451536      46.07062       7.771716      41.84116       7.644195      67.24750 5.778442 64.04719 5.967628 3.200310       8.306803 
1 1 1 30 12 5  f 120.2955 2.885921 146.0119       6.942828      143.7449       9.755382      148.3498       9.882903      119.3457 4.087028 121.2453 4.075581 -1.899673      5.771842 
1 1 1 30 12 6  o 41.52959 5.862906 18.56852       4.746627      24.54785       6.625441      12.58919       6.798304      48.93964 6.768992 34.11954 9.574728 14.82010       11.72581 
1 1 1 30 12 7  o 82.69524 3.372605 69.38577       5.573390      62.82551       7.679617      75.94603       8.076350      78.75444 4.875673 86.63604 4.661080 -7.881599      6.745210 
1 1 1 30 12 8  o 76.76996 3.484655 60.00587       5.317639      68.18848       7.580434      51.82325       7.459997      82.09107 4.617088 71.44885 5.220516 10.64222       6.969310 
1 1 1 30 12 9  o 27.37923 6.698787 7.233293       4.496543      8.154280       6.142277      6.314431       6.568057      28.29902 9.343431 26.45943 9.601837 1.839598       13.39757 
1 1 1 30 12 10 o 108.7502 3.079881 119.7283       6.718248      113.9190       8.643111      125.5377       10.29380      106.1903 4.069632 111.3100 4.623935 -5.119659      6.159763 
1 1 1 30 12 11 o 78.19939 3.398680 62.10288       5.316930      59.87834       7.410406      64.32034       7.622942      76.79607 4.824730 79.60269 4.788118 -2.806618      6.797359 
1 1 1 30 12 12 o 76.22800 3.525752 59.11322       5.377149      59.13447       7.622942      59.08488       7.580434      76.24059 4.999267 76.21542 4.973032 0.2516174E-01  7.051505 
1 1 1 30 12 13 o 88.35728 3.322555 79.34660       5.870231      77.43378       8.232210      81.25941       8.373900      87.28707 4.715595 89.42751 4.681949 -2.140434      6.645110 
1 1 1 30 12 14 o 23.73811 6.555581 4.142318       4.500794      4.098393       6.412197      4.186242       6.317973      23.74613 9.298876 23.73009 9.243022 0.1604462E-01  13.11116 
1 1 1 30 12 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 12 16 o 56.72194 9.362598 38.71689       10.86765      48.07554       14.23280      29.35824       16.42900      65.51632 10.86202 47.92756 15.25285 17.58876       18.72520 
1 1 1 30 12 17 o 77.39143 3.755082 61.57863       5.776716      65.31925       7.594603      57.83800       8.706873      79.95018 4.749585 74.83268 5.817561 5.117500       7.510164 
1 1 1 30 12 18 o 22.80890 6.532621 3.245418       4.653820      3.830599       6.115356      2.660236       7.016507      22.83235 9.039498 22.78544 9.433346 0.4690742E-01  13.06524 
1 1 1 30 12 19 o 20.28988 6.168647 0.4699161      4.546135      1.640774       6.120315      -0.7011548     6.723916      20.77271 8.717248 19.80706 8.730316 0.9656525      12.33729 
1 1 1 30 12 20 o 26.19519 6.030581 3.936867       4.831641      14.60119       6.403696      -6.730292      7.240376      35.42800 9.013350 16.96239 8.014434 18.46561       12.06116 
1 1 1 30 12 21 o 63.54008 4.825101 43.30058       6.044511      49.84667       8.324308      36.74739       8.763549      68.80103 6.049552 58.27913 7.518599 10.52190       9.650203 
1 1 1 30 12 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 12 23 o 33.61922 7.225014 16.12436       5.850394      24.25739       8.465999      7.984251       8.083434      41.92207 10.18373 25.31637 10.25158 16.60570       14.45003 
1 1 1 30 12 24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 12 25 o 25.34371 6.755988 7.459997       4.721831      9.946663       7.219123      4.981124       6.090560      28.06943 10.07825 22.61799 9.000134 5.451437       13.51198 
1 1 1 30 12 26 o 35.55799 5.917440 16.03935       4.718997      7.176617       6.981792      24.90916       6.349853      24.53107 9.675503 46.58491 6.815354 -22.05384      11.83488 
1 1 1 30 12 27 o 19.98432 6.057230 2.840183       4.451911      7.021466       6.918032      -1.341808      5.605271      23.68095 9.527261 16.28769 7.482742 7.393257       12.11446 
1 1 1 30 12 28 o 24.79381 6.462590 8.713958       4.304553      11.13686       6.210288      6.292469       5.960914      27.40718 9.394834 22.18043 8.876788 5.226746       12.92518 
1 1 1 30 13 0  f 12.08111 8.357316 -3.970164      6.438409      -3.970164      6.438409      -3.970164      6.438409      12.08111 8.357316 12.08111 8.357316 0.000000       0.000000 
1 1 1 30 13 1  o 29.36852 6.620719 8.721042       4.536926      5.298511       6.349853      12.14995       6.480917      25.19677 9.398149 33.54027 9.327941 -8.343504      13.24144 
1 1 1 30 13 2  o 60.36858 4.255765 37.16538       5.134858      36.40025       7.445828      37.93050       7.071766      59.70427 6.235591 61.03289 5.793406 -1.328621      8.511531 
1 1 1 30 13 3  o 44.61393 5.562422 21.03393       4.824557      17.56960       6.706913      24.49118       6.937160      40.40398 8.561048 48.82388 7.104270 -8.419899      11.12484 
1 1 1 30 13 4  o 86.65047 3.320528 76.01688       5.752628      72.82884       8.026759      79.20491       8.246379      84.82490 4.731369 88.47604 4.660233 -3.651138      6.641057 
1 1 1 30 13 5  o 25.21692 6.355441 4.311637       4.580849      -2.226664      6.266964      10.84640       6.683534      18.52458 8.269878 31.90926 9.652751 -13.38468      12.71088 
1 1 1 30 13 6  o 64.89388 3.926124 43.05970       5.061180      49.29408       7.233293      36.82533       7.083100      69.68578 5.189934 60.10197 5.892570 9.583817       7.852248 
1 1 1 30 13 7  o 88.44835 3.193178 79.20491       5.646361      77.22124       7.927575      81.11773       8.048012      87.35490 4.537568 89.54179 4.493998 -2.186897      6.386355 
1 1 1 30 13 8  o 24.51002 6.580400 4.748752       4.456870      3.802969       6.261296      5.695244       6.345603      23.47104 9.189285 25.54900 9.421450 -2.077961      13.16080 
1 1 1 30 13 9  o 54.74053 4.406311 30.81057       4.813221      27.21872       6.633943      34.40950       6.974707      51.49047 6.441913 57.99059 6.013655 -6.500114      8.812621 
1 1 1 30 13 10 o 88.97432 3.263709 80.48012       5.788051      87.35210       8.104689      73.53729       8.260548      92.86808 4.363549 85.08055 4.854546 7.787529       6.527417 
1 1 1 30 13 11 o 40.75087 5.876573 17.98050       4.624773      17.43500       6.437701      18.51893       6.641736      40.12043 8.303794 41.38131 8.317657 -1.260880      11.75315 
1 1 1 30 13 12 o 32.37423 6.579478 10.62678       5.057637      3.510378       7.481250      17.73963       6.805388      24.45605 9.879152 40.29242 8.692554 -15.83637      13.15896 
1 1 1 30 13 13 o 22.52020 6.359072 1.892275       4.653111      6.845770       6.641736      -3.061929      6.518465      26.82079 9.663154 18.21961 8.268897 8.601177       12.71814 
1 1 1 30 13 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 13 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 13 16 o 52.69139 5.432136 30.42092       5.221998      40.33924       7.003046      20.50259       7.750463      62.57469 5.595749 42.80808 9.312358 19.76661       10.86427 
1 1 1 30 13 17 o 62.92511 4.229779 41.22481       5.299928      43.22264       7.071766      39.21989       7.899237      64.65513 5.468836 61.19510 6.454143 3.460033       8.459558 
1 1 1 30 13 18 o 20.35501 6.291235 -0.4760088     4.904612      -2.544759      6.910239      1.592600       6.962664      18.88828 8.546916 21.82174 9.234110 -2.933464      12.58247 
1 1 1 30 13 19 o 21.01371 6.221355 1.226330       4.581558      -1.893692      6.937160      4.346352       5.986417      19.11134 8.610113 22.91609 8.982594 -3.804756      12.44271 
1 1 1 30 13 20 o 20.05319 5.982845 -1.462244      4.665863      -8.465999      6.924408      5.540093       6.256337      15.75752 7.569609 24.34886 9.267080 -8.591339      11.96569 
1 1 1 30 13 21 o 17.70280 5.807534 -5.657696      5.122815      1.372271       7.566265      -12.68837      6.906697      21.43367 9.356696 13.97194 6.882008 7.461724       11.61507 
1 1 1 30 13 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 13 23 o 41.47223 15.15778 28.92608       16.39357      28.92608       16.39357      ?              ?             41.47223 15.15778 ?        ?        ?              ?        
1 1 1 30 13 24 o 27.69783 6.879827 9.599521       4.747335      11.21479       7.155363      7.977167       6.237917      29.50760 10.08458 25.88805 9.361056 3.619556       13.75965 
1 1 1 30 13 25 o 28.30773 6.706134 10.49926       4.498669      9.790804       6.581517      11.21479       6.134484      27.37220 9.643288 29.24327 9.321799 -1.871069      13.41227 
1 1 1 30 13 26 o 32.74193 6.446008 14.41699       4.385316      13.33306       6.147944      15.50093       6.254921      31.37700 9.204123 34.10685 9.027081 -2.729849      12.89202 
1 1 1 30 13 27 o 27.24061 6.461089 10.32923       4.341393      7.127024       6.269798      13.53851       6.006963      23.37554 9.184976 31.10568 9.089495 -7.730139      12.92218 
1 1 1 30 14 0  o 91.43305 4.619792 84.73083       8.402238      84.73083       8.402238      84.73083       8.402238      91.43305 4.619792 91.43305 4.619792 0.000000       0.000000 
1 1 1 30 14 1  o 58.16415 4.329423 34.57953       5.034258      37.05911       7.261631      32.10704       6.973290      60.26799 6.024451 56.06030 6.219455 4.207691       8.658847 
1 1 1 30 14 2  o 52.91776 4.635119 28.79856       4.881233      32.61712       6.997378      24.98709       6.806805      56.50494 6.191829 49.33059 6.899173 7.174351       9.270239 
1 1 1 30 14 3  o 40.33001 6.015292 17.54127       4.704120      15.71346       6.723916      19.36907       6.580100      38.05442 8.970567 42.60559 8.016476 -4.551174      12.03058 
1 1 1 30 14 4  o 22.43776 6.372595 2.063012       4.551803      5.591810       6.424950      -1.465078      6.449745      25.54352 9.468227 19.33200 8.531855 6.211529       12.74519 
1 1 1 30 14 5  o 50.76056 4.710012 26.48901       4.777090      24.37783       6.627566      28.60728       6.881900      48.70287 6.804082 52.81825 6.514700 -4.115379      9.420025 
1 1 1 30 14 6  o 38.66081 5.848494 16.06769       4.495126      11.68237       6.245002      20.45300       6.467456      32.82021 9.166046 44.50141 7.266575 -11.68119      11.69699 
1 1 1 30 14 7  f 59.04359 4.224182 35.89725       4.957037      41.76323       7.176617      30.03127       6.837267      63.97862 5.608605 54.10857 6.318101 9.870052       8.448364 
1 1 1 30 14 8  o 75.17990 3.589881 57.49794       5.396986      57.15789       7.573349      57.83800       7.693786      74.96400 5.051325 75.39581 5.102264 -0.4318161     7.179762 
1 1 1 30 14 9  f 85.40628 3.378668 74.10406       5.771757      73.74983       8.196787      74.45828       8.125941      85.19301 4.810716 85.61956 4.745377 -0.4265518     6.757336 
1 1 1 30 14 10 o 58.60128 4.260330 35.35174       4.978999      31.44818       6.924408      39.25531       7.155363      55.29588 6.261232 61.90668 5.779153 -6.610794      8.520659 
1 1 1 30 14 11 o 74.18253 4.086577 57.81675       6.074974      40.11962       7.452912      75.52096       9.599521      62.48969 5.963314 85.87538 5.589216 -23.38569      8.173155 
1 1 1 30 14 12 o 62.80771 4.558411 40.84933       5.727833      40.50927       7.459997      41.18938       8.692703      62.70626 5.948368 62.90916 6.908934 -0.2028961     9.116822 
1 1 1 30 14 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 14 14 o 28.19795 7.244877 4.829516       6.213830      13.19846       7.736294      -3.540134      9.727042      34.16074 10.39547 22.23517 10.09392 11.92557       14.48975 
1 1 1 30 14 15 o 80.58650 4.057060 67.48711       6.487293      55.99603       8.969000      78.99238       9.379901      73.50942 6.100578 87.66358 5.349942 -14.15416      8.114120 
1 1 1 30 14 16 o 111.0124 3.344129 126.3878       7.424574      128.9382       10.53468      123.8374       10.46383      112.1516 4.696626 109.8732 4.761776 2.278358       6.688259 
1 1 1 30 14 17 o 62.86947 4.237584 41.34525       5.348811      46.31149       8.125941      36.37900       6.958413      66.61360 6.099312 59.12534 5.884459 7.488262       8.475167 
1 1 1 30 14 18 o 41.11571 7.007950 19.82957       5.840477      19.39032       9.670367      20.26880       6.553179      39.65676 11.51497 42.57466 7.990676 -2.917900      14.01590 
1 1 1 30 14 19 o 25.67076 6.872447 6.244294       4.923031      4.465372       7.183701      8.019674       6.735251      24.06708 9.697754 27.27444 9.740417 -3.207352      13.74489 
1 1 1 30 14 20 o 74.43643 4.188161 58.81566       6.252087      63.80317       9.394071      53.83525       8.253463      77.49735 6.060898 71.37551 5.781720 6.121841       8.376322 
1 1 1 30 14 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 14 22 o 20.64627 6.296270 1.472163       4.759379      0.4285425      6.993836      2.515004       6.457538      20.16956 8.895174 21.12297 8.913359 -0.9534187     12.59254 
1 1 1 30 14 23 o 32.03336 7.016607 13.42516       5.038509      12.64586       7.736294      14.21154       6.458955      30.73670 10.48597 33.33002 9.326071 -2.593315      14.03321 
1 1 1 30 14 24 o 50.54418 5.190874 30.07378       4.959163      38.72398       7.240376      21.43067       6.782009      59.18333 6.116906 41.90502 8.388333 17.27831       10.38175 
1 1 1 30 14 25 o 25.28473 6.448637 8.118857       4.242918      10.47092       6.211705      5.773882       5.781674      27.95961 9.396089 22.60984 8.834773 5.349770       12.89727 
1 1 1 30 14 26 o 42.22312 5.943117 23.13095       4.857145      25.44050       7.311223      20.81431       6.395194      44.19249 8.578147 40.25375 8.227875 3.938732       11.88623 
1 1 1 30 14 27 o 25.51338 6.712008 9.875818       4.691368      13.56685       7.127024      6.180533       6.102604      29.12227 10.05647 21.90449 8.892222 7.217785       13.42402 
1 1 1 30 15 0  o 56.43122 6.512816 33.50268       7.183701      33.50268       7.183701      33.50268       7.183701      56.43122 6.512816 56.43122 6.512816 0.000000       0.000000 
1 1 1 30 15 1  f 101.1622 3.084328 103.5757       6.235084      98.61649       8.756464      108.6057       8.883986      98.70222 4.435799 103.6221 4.286723 -4.919876      6.168655 
1 1 1 30 15 2  o 36.82166 6.291932 14.80664       4.636108      11.42733       6.586476      18.18596       6.526966      32.51740 9.522928 41.12593 8.226022 -8.608536      12.58386 
1 1 1 30 15 3  o 82.43538 3.409129 68.97487       5.622273      70.66807       8.048012      67.28167       7.849646      83.44709 4.822225 81.42366 4.820249 2.023430       6.818258 
1 1 1 30 15 4  o 75.44151 3.542434 57.84509       5.342435      58.34809       7.403321      57.34209       7.707955      75.79971 4.883476 75.08332 5.132935 0.7163925      7.084868 
1 1 1 30 15 5  o 48.21497 5.159372 24.72497       4.745210      30.71138       6.786260      18.73855       6.635359      54.72114 6.200766 41.70880 8.247847 13.01234       10.31874 
1 1 1 30 15 6  o 20.56639 6.067559 0.6805388      4.294635      -2.468246      6.027507      3.829182       6.119606      17.87274 8.040366 23.26004 9.089203 -5.387302      12.13512 
1 1 1 30 15 7  o 18.81025 5.909008 -1.776089      4.456870      -2.799093      6.257046      -0.7523757     6.347728      18.03022 8.147148 19.59027 8.560926 -1.560045      11.81802 
1 1 1 30 15 8  o 96.19090 3.154866 93.86986       6.070015      92.94887       8.600604      94.79085       8.565183      95.70930 4.493087 96.67251 4.429999 -0.9632034     6.309732 
1 1 1 30 15 9  f 56.89730 5.453016 33.83566       6.159988      34.92667       7.396237      32.74464       9.854564      58.21087 6.352969 55.58374 8.864611 2.627129       10.90603 
1 1 1 30 15 10 o 28.48087 7.179303 7.495420       5.384233      3.152610       7.459997      11.83823       7.764632      24.04458 9.807848 32.91716 10.48693 -8.872581      14.35861 
1 1 1 30 15 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 15 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 15 13 f 94.62209 3.697875 92.02789       6.998086      85.29759       9.606606      98.75818       10.18045      91.13835 5.270343 98.10581 5.188506 -6.967461      7.395750 
1 1 1 30 15 14 o 89.12926 4.118468 82.25125       7.282885      89.40662       9.734127      75.16674       10.83223      93.28315 5.217517 84.97536 6.373746 8.307785       8.236937 
1 1 1 30 15 15 o 27.34933 6.903316 7.403321       4.872023      5.208537       7.155363      9.592437       6.614814      25.15854 9.828895 29.54013 9.696181 -4.381594      13.80663 
1 1 1 30 15 16 o 29.67645 7.111081 9.642029       5.039926      10.28672       7.552096      8.997337       6.679283      30.54408 10.36038 28.80882 9.743321 1.735256       14.22216 
1 1 1 30 15 17 o 60.79028 4.672656 39.29782       5.658404      37.98010       8.565183      40.61554       7.396237      59.42789 7.206366 62.15268 5.950055 -2.724789      9.345312 
1 1 1 30 15 18 o 70.43737 4.461729 52.80091       6.150070      45.94310       9.472000      59.65873       7.842561      65.18388 7.265601 75.69086 5.180653 -10.50699      8.923458 
1 1 1 30 15 19 o 25.32421 6.697757 5.511755       4.934367      -0.4774965E-01 6.711164      11.07310       7.233293      19.92487 8.754062 30.72355 10.13934 -10.79868      13.39551 
1 1 1 30 15 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 15 21 o 20.63119 6.402779 0.3136316      5.199328      -3.828474      6.962664      4.455453       7.722124      17.54356 8.167578 23.71882 9.862705 -6.175259      12.80556 
1 1 1 30 15 22 o 78.21201 5.152200 70.08714       8.048012      64.95794       11.22896      75.23758       11.53359      75.07722 7.478275 81.34679 7.089151 -6.269577      10.30440 
1 1 1 30 15 23 o 86.72617 3.536843 80.26759       6.140152      81.96787       9.238212      78.49645       8.090520      87.34561 5.288309 86.10673 4.697960 1.238884       7.073686 
1 1 1 30 15 24 o 15.19115 5.128867 -5.515297      4.401611      -6.643153      6.709038      -4.387442      5.698786      15.39005 7.407162 14.99226 7.096131 0.3977900      10.25773 
1 1 1 30 15 25 o 34.88120 6.585150 16.74780       4.697035      17.20121       7.065390      16.30148       6.189743      34.83889 9.755948 34.92351 8.847503 -0.8461380E-01 13.17030 
1 1 1 30 15 26 o 18.37302 5.750016 0.6942119E-01  4.482375      6.635359       6.671490      -6.496503      5.987126      22.73253 9.274245 14.01351 6.799934 8.719026       11.50003 
1 1 1 30 16 0  o 26.55602 11.87328 10.58427       6.662281      10.58427       6.662281      10.58427       6.662281      26.55602 11.87328 26.55602 11.87328 0.000000       0.000000 
1 1 1 30 16 1  f 75.01968 3.619351 57.34209       5.428866      60.70723       7.800055      53.98402       7.552096      77.23828 5.049345 72.80109 5.186802 4.437195       7.238701 
1 1 1 30 16 2  o 80.13302 3.489734 65.31217       5.596061      67.08330       8.189702      63.54104       7.630026      81.19016 5.043531 79.07587 4.824497 2.114288       6.979469 
1 1 1 30 16 3  o 35.38428 6.343312 13.82190       4.668697      8.416408       6.367565      19.23446       6.828767      28.59240 9.513230 42.17617 8.393384 -13.58377      12.68662 
1 1 1 30 16 4  o 107.5669 2.985284 117.1779       6.422115      116.4695       9.096521      117.8864       9.068183      107.2354 4.241378 107.8983 4.202189 -0.6628876     5.970568 
1 1 1 30 16 5  o 29.73387 6.696988 9.181536       4.654528      5.356604       6.385275      13.00009       6.774924      25.09567 9.411627 34.37207 9.529945 -9.276403      13.39398 
1 1 1 30 16 6  o 41.04735 6.420285 18.51893       5.579766      29.43617       7.566265      7.601687       8.203872      53.25907 7.103264 28.83563 10.69691 24.42344       12.84057 
1 1 1 30 16 7  o 41.15919 7.012866 18.88733       5.721456      20.05627       7.764632      17.71838       8.402238      42.61029 9.365298 39.70810 10.44090 2.902199       14.02573 
1 1 1 30 16 8  o 22.12424 6.720451 0.5192243      5.356604      0.5725707      7.289969      0.4658070      7.849646      21.79942 9.344082 22.44906 9.661572 -0.6496353     13.44090 
1 1 1 30 16 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 16 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 16 11 o 30.42804 7.886839 9.436578       6.368981      10.91016       10.39299      7.955913       7.367898      32.60413 12.05077 28.25194 10.17781 4.352188       15.77368 
1 1 1 30 16 12 o 94.60304 3.502233 91.67366       6.644569      96.63282       10.03168      86.71449       8.713958      97.06766 5.167364 92.13844 4.728731 4.929222       7.004466 
1 1 1 30 16 13 o 41.13531 6.267154 19.21321       5.215622      26.56694       8.005506      11.85240       6.685660      49.83537 8.031952 32.43525 9.622714 17.40012       12.53431 
1 1 1 30 16 14 o 31.04536 6.661775 10.34340       4.866355      15.57885       6.648820      5.113605       7.105771      37.07290 9.036757 25.01783 9.790505 12.05507       13.32355 
1 1 1 30 16 15 o 78.28558 3.990901 64.83751       6.181242      82.32210       9.301972      47.35291       8.140111      89.25385 5.210964 67.31732 6.046075 21.93653       7.981802 
1 1 1 30 16 16 o 87.31803 3.393700 78.85069       5.927616      77.22124       8.331393      80.55096       8.430575      86.38254 4.822382 88.25352 4.776340 -1.870987      6.787400 
1 1 1 30 16 17 o 44.51471 5.903426 23.08844       5.088809      32.80132       7.559181      13.37557       6.816723      55.34610 6.829010 33.68332 9.631530 21.66278       11.80685 
1 1 1 30 16 18 o 83.62010 3.777270 73.25391       6.317973      73.18307       8.976085      73.32476       8.891070      83.55879 5.371119 83.68142 5.312452 -0.1226273     7.554539 
1 1 1 30 16 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 16 20 o 60.39826 4.724611 40.50219       5.649195      47.99761       8.189702      32.99968       7.785885      66.45343 6.161987 54.34309 7.163639 12.11034       9.449223 
1 1 1 30 16 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 16 22 o 24.76891 6.580367 6.201078       4.808971      12.10036       7.155363      0.3003835      6.427783      30.45893 10.08457 19.07888 8.456145 11.38004       13.16073 
1 1 1 30 16 23 o 23.65421 6.508943 6.030342       4.630441      9.918325       6.716832      2.143067       6.375357      27.36563 9.731678 19.94278 8.646374 7.422848       13.01789 
1 1 1 30 16 24 o 22.05742 6.406952 5.255295       4.548261      6.921574       6.855688      3.589017       5.978625      23.74223 9.512280 20.37260 8.585610 3.369631       12.81390 
1 1 1 30 16 25 o 32.75906 6.994902 15.94725       5.141234      14.13361       7.885069      17.76089       6.596395      29.82137 10.55019 35.69676 9.187388 -5.875389      13.98980 
1 1 1 30 17 0  o 14.87298 9.900681 -1.103059      7.580434      -1.103059      7.580434      -1.103059      7.580434      14.87298 9.900681 14.87298 9.900681 0.000000       0.000000 
1 1 1 30 17 1  o 21.20507 6.396605 0.2152985      4.885483      3.341767       7.275800      -2.911028      6.519882      24.05928 9.732786 18.35085 8.302958 5.708424       12.79321 
1 1 1 30 17 2  o 39.73246 7.084780 17.71129       5.731375      22.42250       8.218040      13.00009       7.991336      45.10787 9.416682 34.35704 10.58785 10.75082       14.16956 
1 1 1 30 17 3  o 91.51901 3.835334 85.72267       7.019340      85.58098       9.698705      85.79351       10.15211      91.50910 5.299312 91.52893 5.545850 -0.1982880E-01 7.670669 
1 1 1 30 17 4  o 67.46204 4.719472 47.33166       6.347728      41.25315       8.756464      53.41018       9.188620      63.01480 6.947943 71.90929 6.389035 -8.894497      9.438945 
1 1 1 30 17 5  o 26.85293 7.257894 6.101187       5.460746      5.919823       7.051930      6.282550       8.338477      26.14499 9.871387 27.56087 10.64255 -1.415874      14.51579 
1 1 1 30 17 6  o 34.73695 14.69542 7.467082       17.62628      7.467082       17.62628      ?              ?             34.73695 14.69542 ?        ?        ?              ?        
1 1 1 30 17 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 17 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 17 9  o 39.02426 6.663193 17.14453       5.292843      12.15703       7.948828      22.12495       6.989584      33.01134 10.62007 45.03717 8.050257 -12.02583      13.32639 
1 1 1 30 17 10 o 19.70353 6.051546 -0.9259465     4.568097      2.323722       6.436285      -4.175615      6.483750      21.98583 9.062615 17.42123 8.022084 4.564592       12.10309 
1 1 1 30 17 11 o 27.02516 6.906896 7.183701       4.807554      6.310889       6.754380      8.055097       6.844352      26.06419 9.698607 27.98613 9.836557 -1.921942      13.81379 
1 1 1 30 17 12 o 65.27768 4.089021 44.27115       5.334641      46.29024       7.580434      42.25206       7.509589      66.81245 5.672920 63.74291 5.890529 3.069546       8.178041 
1 1 1 30 17 13 o 89.70804 3.976800 84.09322       7.268716      69.73999       8.317224      98.47480       11.93033      82.29440 5.053335 97.12167 6.141950 -14.82727      7.953599 
1 1 1 30 17 14 o 46.01130 5.803069 23.72605       5.141943      17.53418       7.127024      29.92500       7.417490      39.01927 9.259684 53.00332 6.997193 -13.98405      11.60614 
1 1 1 30 17 15 o 21.09974 6.353734 1.496250       4.723957      0.3811471      6.709038      2.611353       6.652362      20.26322 8.828542 21.93627 9.139835 -1.673054      12.70747 
1 1 1 30 17 16 o 25.73681 7.104556 5.819223       5.443744      10.05293       8.522675      1.581973       6.776341      30.15278 10.93809 21.32084 9.069571 8.831942       14.20911 
1 1 1 30 17 17 o 20.88548 6.478551 -0.1989333     5.365814      4.249294       7.637110      -4.647444      7.537927      23.74072 9.836051 18.03023 8.434370 5.710497       12.95710 
1 1 1 30 17 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 17 19 o 45.45504 6.763094 25.16421       6.057971      23.18054       9.372816      27.15496       7.672533      42.02859 11.01659 48.88148 7.848097 -6.852898      13.52619 
1 1 1 30 17 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 17 21 o 37.07671 6.676158 17.49876       4.981124      19.22738       7.481250      15.77722       6.577267      38.76420 9.670794 35.38923 9.206523 3.374973       13.35232 
1 1 1 30 17 22 o 59.59120 4.862806 41.27440       5.854646      50.44176       9.259464      32.10704       7.162447      66.15884 6.997905 53.02355 6.754025 13.13529       9.725612 
1 1 1 30 17 23 o 19.23921 5.989542 -0.3918447     4.905321      -5.841893      7.573349      5.058346       6.240043      16.58351 7.954232 21.89491 8.957044 -5.311401      11.97908 
1 1 1 30 17 24 o 35.21824 6.988995 18.41975       5.220581      23.40725       8.133026      13.43225       6.544678      40.05326 10.13848 30.38322 9.622653 9.670038       13.97799 
1 1 1 30 17 25 o 38.47139 6.397035 21.55110       5.124232      16.18812       7.651280      26.91408       6.816014      30.96461 10.42819 45.97818 7.412228 -15.01357      12.79407 
1 1 1 30 18 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 18 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 18 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 18 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 18 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 18 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 18 6  o 59.29069 5.050842 37.04494       5.858896      41.69239       7.389152      32.39750       9.096521      63.50600 5.817680 55.07538 8.258246 8.430622       10.10168 
1 1 1 30 18 7  o 37.43621 6.695878 15.77722       5.020089      15.64262       7.098687      15.90474       7.098687      37.27388 9.493970 37.59855 9.444768 -0.3246689     13.39176 
1 1 1 30 18 8  o 57.53262 4.826308 34.60787       5.543635      36.04602       7.630026      33.17680       8.040927      58.84746 6.482885 56.21779 7.151586 2.629665       9.652616 
1 1 1 30 18 9  o 71.14536 3.999788 52.35459       5.690285      54.35950       8.168448      50.35676       7.927575      72.51568 5.632195 69.77505 5.680810 2.740631       7.999577 
1 1 1 30 18 10 o 24.33314 6.913918 3.908529       5.230500      2.305302       7.863815      5.511046       6.898903      23.44675 9.862224 25.21953 9.692554 -1.772778      13.82784 
1 1 1 30 18 11 o 54.37708 4.813149 31.17188       5.229083      29.92500       7.488335      32.41167       7.297054      53.19611 7.038424 55.55806 6.567053 -2.361946      9.626298 
1 1 1 30 18 12 o 28.09800 6.692251 7.849646       4.874148      13.74396       7.064682      1.955327       6.716832      34.46040 9.789694 21.73560 9.127255 12.72480       13.38450 
1 1 1 30 18 13 o 29.15614 7.213318 8.827310       5.502545      11.82406       6.733126      5.833392       8.706873      31.81084 9.701612 26.50144 10.67739 5.309401       14.42664 
1 1 1 30 18 14 o 32.78019 6.920600 12.63170       4.980416      9.939578       7.176617      15.32381       6.910239      29.51654 10.09954 36.04384 9.464575 -6.527298      13.84120 
1 1 1 30 18 15 f 44.40992 6.320408 22.57127       5.548594      27.66504       8.338477      17.48459       7.325392      50.15733 8.312323 38.66251 9.523419 11.49482       12.64082 
1 1 1 30 18 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 18 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 18 18 o 37.22568 7.289031 17.19412       6.249961      11.03059       10.00334      23.35765       7.495420      30.10643 11.65022 44.34492 8.763124 -14.23850      14.57806 
1 1 1 30 18 19 f 50.69596 8.435005 36.56320       8.558097      32.26289       13.14886      40.86350       10.95267      45.08069 13.51955 56.31123 10.09054 -11.23055      16.87001 
1 1 1 30 18 20 o 28.35113 6.946650 9.812057       5.044177      7.212039       7.785885      12.41208       6.412906      25.55274 10.17342 31.14952 9.461786 -5.596779      13.89330 
1 1 1 30 18 21 o 27.68896 6.852668 9.705790       4.998127      6.631108       7.729208      12.77339       6.335684      24.38582 9.971150 30.99210 9.402785 -6.606283      13.70534 
1 1 1 30 18 22 o 20.76096 6.353189 3.035716       4.925865      6.756505       7.615856      -0.6855687     6.247128      23.92435 9.859316 17.59757 8.015355 6.326777       12.70638 
1 1 1 30 18 23 o 44.80522 6.225610 26.49610       5.438076      25.38383       8.423491      27.60837       6.884026      41.83972 10.15465 47.77072 7.205277 -5.931000      12.45122 
1 1 1 30 18 24 o 43.94321 6.030270 26.97076       5.210663      36.13104       7.927575      17.81048       6.763589      53.39378 7.423688 34.49264 9.505023 18.90114       12.06054 
1 1 1 30 19 0  o 31.10646 13.42318 14.69329       8.529759      14.69329       8.529759      14.69329       8.529759      31.10646 13.42318 31.10646 13.42318 0.000000       0.000000 
1 1 1 30 19 1  o 28.44507 7.526448 7.389152       5.843310      9.394071       8.062181      5.391318       8.465999      30.15236 10.66794 26.73779 10.62001 3.414568       15.05290 
1 1 1 30 19 2  o 70.00787 4.837863 51.63196       6.726750      61.27399       9.861650      41.99702       9.153197      76.77660 6.422301 63.23915 7.236970 13.53745       9.675727 
1 1 1 30 19 3  o 29.47523 7.580483 8.621859       5.800803      9.585353       8.373900      7.651280       8.026759      30.51589 10.86458 28.43458 10.57430 2.081318       15.16097 
1 1 1 30 19 4  o 44.38975 7.223052 22.44375       6.294595      24.27156       8.954830      20.61595       8.848563      46.35419 9.946012 42.42531 10.47696 3.928875       14.44610 
1 1 1 30 19 5  o 91.19528 4.067269 86.14774       7.389152      95.00338       10.47800      77.29209       10.42133      96.04243 5.454882 86.34812 6.034483 9.694313       8.134539 
1 1 1 30 19 6  o 48.03423 5.862958 25.29881       5.545760      20.48843       7.077433      30.10920       8.536844      43.00695 8.531500 53.06151 8.044291 -10.05456      11.72592 
1 1 1 30 19 7  o 57.10842 5.193225 34.74247       5.817806      39.63079       7.679617      29.85416       8.742295      61.60567 6.232882 52.61118 8.308401 8.994492       10.38645 
1 1 1 30 19 8  o 28.44609 7.211122 8.203872       5.292843      9.330310       6.850020      7.072474       8.069265      29.29181 9.867061 27.60038 10.51866 1.691427       14.42224 
1 1 1 30 19 9  o 20.80722 6.359046 -0.1715162     4.975457      2.456202       6.444786      -2.799093      7.580434      21.91724 9.055357 19.69720 8.930308 2.220043       12.71809 
1 1 1 30 19 10 o 71.80642 4.673296 55.09629       6.659447      67.33834       9.911241      42.84716       8.898154      80.12083 6.185183 63.49201 7.007303 16.62883       9.346592 
1 1 1 30 19 11 o 34.56358 6.951515 13.99192       5.205703      17.67587       7.091603      10.30797       7.622942      38.99410 9.225747 30.13306 10.40095 8.861040       13.90303 
1 1 1 30 19 12 o 41.57823 7.005204 20.72930       5.823474      25.70263       8.324308      15.74888       8.147196      47.14858 9.154432 36.00788 10.60603 11.14070       14.01041 
1 1 1 30 19 13 o 25.27276 7.217274 4.699161       5.728541      2.043883       7.998421      7.353730       8.203872      23.05420 9.831609 27.49132 10.56861 -4.437126      14.43455 
1 1 1 30 19 14 o 22.56714 7.131612 -0.2213912     6.607729      -1.295050      10.02459      0.8522675      8.614774      22.66143 10.27215 22.47285 9.895579 0.1885853      14.26322 
1 1 1 30 19 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 19 16 f 32.27530 8.340447 16.68404       7.304138      12.39791       10.71179      20.97017       9.932493      28.48649 11.70822 36.06411 11.88149 -7.577621      16.68089 
1 1 1 30 19 17 o 40.05934 10.38415 26.94242       11.17937      15.38049       13.38265      38.50436       17.90966      33.20435 13.29561 46.91434 15.95460 -13.70999      20.76830 
1 1 1 30 19 18 o 32.02529 7.362888 13.63061       5.529466      12.10036       8.430575      15.16795       7.162447      30.05226 10.88107 33.99833 9.922241 -3.946074      14.72578 
1 1 1 30 19 19 o 22.64721 6.756318 4.022589       5.285758      6.733126       8.048012      1.312053       6.854271      25.12729 10.20793 20.16714 8.853785 4.960150       13.51264 
1 1 1 30 19 20 o 29.17147 6.933089 11.54068       4.782758      11.20771       6.752962      11.86657       6.774924      28.79397 9.796915 29.54898 9.812816 -0.7550106     13.86618 
1 1 1 30 19 21 o 41.60743 6.023751 22.24539       4.847227      19.85790       6.834435      24.63995       6.874816      38.77338 8.982247 44.44147 8.028794 -5.668087      12.04750 
1 1 1 30 19 22 o 36.35212 6.769556 19.58161       5.273715      11.27147       6.512797      27.88466       8.295970      27.84539 9.613572 44.85884 9.533456 -17.01345      13.53911 
1 1 1 30 19 23 o 32.77018 6.764533 16.45733       4.845102      20.01376       6.874816      12.90091       6.829475      37.08329 9.282163 28.45707 9.842615 8.626219       13.52907 
1 1 1 30 20 0  o 10.27986 7.402407 -8.671450      6.616940      -8.671450      6.616940      -8.671450      6.616940      10.27986 7.402407 10.27986 7.402407 0.000000       0.000000 
1 1 1 30 20 1  f 40.45347 6.161654 18.88024       5.195077      29.48576       7.686701      8.281801       6.988877      52.72614 7.289271 28.18081 9.936319 24.54533       12.32331 
1 1 1 30 20 2  o 33.72372 6.969413 12.93633       5.089518      10.09544       7.289969      15.77014       7.105771      30.31245 10.17898 37.13499 9.522560 -6.822542      13.93883 
1 1 1 30 20 3  o 46.53175 6.469328 24.37074       5.824182      25.00835       8.947746      23.73314       7.459997      46.74565 9.876196 46.31785 8.358802 0.4277992      12.93866 
1 1 1 30 20 4  o 83.40316 4.269101 73.11222       6.932909      58.67398       10.27255      87.56464       9.309056      74.57961 6.886970 92.22671 5.046834 -17.64709      8.538201 
1 1 1 30 20 5  o 71.72069 4.496005 53.84941       6.446911      53.92735       9.670367      53.77149       8.529759      71.56519 6.756334 71.87617 5.933649 -0.3109818     8.992010 
1 1 1 30 20 6  o 43.52511 6.584777 21.85574       5.788051      30.13754       8.891070      13.57394       7.410406      52.72382 8.431739 34.32640 10.11647 18.39742       13.16955 
1 1 1 30 20 7  o 42.58666 7.040145 21.07644       5.904237      19.67370       8.536844      22.47918       8.154280      40.89105 10.40902 44.28227 9.481920 -3.391224      14.08029 
1 1 1 30 20 8  o 33.65852 7.656884 13.14886       6.067889      8.798972       8.671450      17.49167       8.487252      29.15224 10.96093 38.16481 10.69437 -9.012568      15.31377 
1 1 1 30 20 9  o 20.68800 6.953905 -9.868733      8.246379      -15.47967      14.39574      -4.257087      8.040927      22.13011 10.69601 19.24589 8.889466 2.884214       13.90781 
1 1 1 30 20 10 o 42.07886 7.869064 22.30915       6.883317      29.11028       10.91724      15.50801       8.388069      48.49466 11.42976 35.66306 10.81893 12.83159       15.73813 
1 1 1 30 20 11 o 26.71953 7.658783 5.740584       6.428492      5.686742       10.13795      5.794427       7.906322      27.50449 11.36017 25.93456 10.27494 1.569929       15.31757 
1 1 1 30 20 12 o 52.35348 8.035027 35.25965       9.103605      55.84726       12.41916      14.67912       13.31181      70.23107 8.841641 34.47589 13.41909 35.75518       16.07005 
1 1 1 30 20 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 20 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 20 15 o 44.25237 7.326475 25.07211       6.794761      15.62136       9.592437      34.52285       9.620775      34.16736 11.67633 54.33738 8.852815 -20.17002      14.65295 
1 1 1 30 20 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 20 17 o 21.72762 6.595688 2.643234       5.179491      3.594684       6.920866      1.691783       7.707955      22.06632 9.265429 21.38893 9.389580 0.6773930      13.19138 
1 1 1 30 20 18 o 17.94738 5.825464 -1.815053      4.791968      -2.148026      6.378191      -1.482081      7.155363      17.28814 7.958994 18.60663 8.508732 -1.318489      11.65093 
1 1 1 30 20 19 o 22.17524 6.598023 4.432074       5.023631      1.501918       6.472415      7.360813       7.686701      19.50817 8.583799 24.84232 10.02268 -5.334150      13.19605 
1 1 1 30 20 20 o 28.73933 7.132590 12.12869       5.200744      7.792970       6.717540      16.46442       7.941744      24.46099 9.530182 33.01767 10.61466 -8.556675      14.26518 
1 1 1 30 20 21 o 31.41249 6.521085 13.72979       5.194368      21.96909       6.935743      5.487668       7.736294      40.44991 8.817900 22.37506 9.609517 18.07484       13.04217 
1 1 1 30 20 22 o 16.47840 5.603107 -5.228374      5.669031      -1.843392      6.444077      -8.614774      9.330310      16.38815 7.691517 16.56865 8.149835 -0.1804924     11.20621 
1 1 1 30 21 0  o 30.36929 12.25791 13.67312       7.233293      13.67312       7.233293      13.67312       7.233293      30.36929 12.25791 30.36929 12.25791 0.000000       0.000000 
1 1 1 30 21 1  o 96.82643 3.428410 96.98705       6.616231      110.0226       9.613690      84.02238       9.096521      103.4588 4.646143 90.19404 5.042751 13.26479       6.856820 
1 1 1 30 21 2  o 19.49022 6.132132 -1.807261      4.911696      -5.159654      6.827350      1.544425       7.062556      17.21082 8.041705 21.76961 9.259758 -4.558790      12.26426 
1 1 1 30 21 3  o 73.78651 4.967989 59.15573       6.876941      41.71364       10.42133      76.58364       8.976085      61.64760 8.452337 85.92542 5.223184 -24.27781      9.935978 
1 1 1 30 21 4  o 88.20915 3.759371 81.11773       6.623316      88.41478       9.564099      73.82067       9.167366      92.26991 5.182675 84.14838 5.447143 8.121529       7.518743 
1 1 1 30 21 5  o 18.91140 6.229226 -5.753337      5.874482      -8.855647      9.337394      -2.653152      7.134109      18.91463 9.014271 18.90816 8.599766 0.6469727E-02  12.45845 
1 1 1 30 21 6  o 24.15650 7.377045 2.041050       6.643153      1.230581       10.87473      2.851519       7.630026      25.16424 11.09570 23.14875 9.724643 2.015490       14.75409 
1 1 1 30 21 7  o 23.02761 7.712535 -3.255336      8.912323      3.365146       16.11019      -9.875818      7.615856      29.86205 13.29723 16.19317 7.817700 13.66888       15.42507 
1 1 1 30 21 8  o 27.90989 8.141663 3.737083       8.593520      -0.6556722     15.55760      8.133026       7.318307      28.07240 12.74959 27.74738 10.12890 0.3250179      16.28333 
1 1 1 30 21 9  o 43.03846 9.181473 27.59420       9.783719      47.70714       18.01593      7.474166       7.651280      58.79120 15.21026 27.28572 10.28814 31.50549       18.36295 
1 1 1 30 21 10 o 59.14206 8.928302 47.35291       10.69054      42.85425       19.31240      51.84450       9.167366      49.47351 16.56760 68.81062 6.661303 -19.33710      17.85660 
1 1 1 30 21 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 21 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 21 13 o 38.48184 6.457316 17.59086       6.115356      3.464329       9.146112      31.71739       8.118857      24.04489 10.38955 52.91879 7.671053 -28.87390      12.91463 
1 1 1 30 21 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 21 15 o 46.64277 6.162467 26.60237       5.565597      20.80014       7.835476      32.40458       7.906322      40.11433 9.829958 53.17120 7.434779 -13.05687      12.32493 
1 1 1 30 21 16 o 33.17836 6.996172 14.41699       5.001670      13.38974       7.039177      15.43716       7.105771      31.95480 9.955251 34.40193 9.832531 -2.447126      13.99234 
1 1 1 30 21 17 o 18.57082 6.019753 -1.362353      5.106521      -1.321263      6.723207      -1.404151      7.686701      18.07045 8.256977 19.07118 8.761963 -1.000731      12.03951 
1 1 1 30 21 18 o 37.41889 7.139743 19.51785       5.502545      20.21921       7.339560      18.82356       8.196787      38.81053 9.515863 36.02725 10.64669 2.783276       14.27949 
1 1 1 30 21 19 o 35.14543 6.997985 18.33473       5.443035      10.75430       7.028550      25.90808       8.310139      27.27231 9.929203 43.01855 9.863979 -15.74624      13.99597 
1 1 1 30 21 20 o 20.83135 6.325421 0.8791887      5.430283      -8.926493      7.679617      10.68345       7.679617      15.25451 7.469751 26.40818 10.21012 -11.15367      12.65084 
1 1 1 30 21 21 o 18.16215 5.961424 0.2986833      5.185159      -3.623731      6.650945      4.220956       7.955913      15.68572 7.506813 20.63859 9.262941 -4.952876      11.92285 
1 1 1 30 22 0  o 13.25389 9.290164 -6.417865      8.756464      -6.417865      8.756464      -6.417865      8.756464      13.25389 9.290164 13.25389 9.290164 0.000000       0.000000 
1 1 1 30 22 1  o 25.46183 7.527024 3.955286       6.471707      6.313014       9.216957      1.597559       9.082352      27.16393 10.96857 23.75973 10.31091 3.404203       15.05405 
1 1 1 30 22 2  o 38.94233 7.474593 17.82465       6.545386      11.34231       10.42841      24.31407       7.913406      31.81457 12.00650 46.07010 8.906298 -14.25553      14.94919 
1 1 1 30 22 3  o 28.24229 7.678162 7.495420       6.654488      17.02410       11.08019      -2.031840      7.367898      36.87979 12.54919 19.60480 8.850677 17.27498       15.35632 
1 1 1 30 22 4  o 25.63303 7.508681 4.086349       6.479500      2.666612       10.53468      5.506795       7.545012      25.86335 11.16250 25.40272 10.04588 0.4606285      15.01736 
1 1 1 30 22 5  o 58.98602 6.264866 38.94360       7.502505      43.91692       12.38374      33.97735       8.465999      61.94765 9.995325 56.02439 7.555637 5.923260       12.52973 
1 1 1 30 22 6  o 44.90285 7.761056 25.35549       7.084518      32.46126       11.70362      18.24972       7.998421      50.91656 11.72712 38.88914 10.16910 12.02742       15.52211 
1 1 1 30 22 7  o 50.70200 7.892736 35.52177       8.749379      16.55652       12.96467      54.49411       11.75322      33.53845 13.19847 67.86555 8.659190 -34.32710      15.78547 
1 1 1 30 22 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 22 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 22 10 o 34.52468 8.890691 21.82031       8.189702      18.82356       12.16412      24.80998       10.96683      31.56888 12.66124 37.48048 12.48481 -5.911592      17.78138 
1 1 1 30 22 11 o 40.59580 7.973374 21.84865       6.748711      24.72497       9.684536      18.96525       9.401155      43.53452 11.08947 37.65708 11.45960 5.877441       15.94675 
1 1 1 30 22 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 22 13 f 36.10510 7.551228 17.94508       5.902112      22.09661       9.110690      13.79356       7.509589      40.08527 11.02526 32.12493 10.32123 7.960342       15.10246 
1 1 1 30 22 14 o 37.82675 7.416654 19.04318       5.895736      17.98759       9.054014      20.09878       7.552096      35.91363 11.31090 39.73987 9.596386 -3.826241      14.83331 
1 1 1 30 22 15 o 23.24415 6.887101 5.028590       5.408321      4.893985       8.125941      5.163197       7.134109      23.42247 9.946708 23.06584 9.528465 0.3566284      13.77420 
1 1 1 30 22 16 o 36.00449 7.252772 18.09386       5.888652      13.43225       9.110690      22.74839       7.459997      30.10829 11.25194 41.90068 9.154493 -11.79239      14.50554 
1 1 1 30 22 17 o 21.29196 6.548715 3.366563       5.291427      7.403321       8.154280      -0.6684951     6.748711      24.47980 10.15426 18.10412 8.272468 6.375683       13.09743 
1 1 1 30 22 18 o 24.25689 6.928339 7.693786       5.404070      13.51017       8.458915      1.882357       6.727458      29.10660 10.84905 19.40717 8.620076 9.699430       13.85668 
1 1 1 30 22 19 o 27.38453 6.269903 10.04585       4.787009      0.6731001      6.577267      19.41866       6.957705      18.14281 8.253178 36.62625 9.440963 -18.48344      12.53981 
1 1 1 30 23 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 23 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 23 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 23 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 23 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 23 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 23 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 23 7  o 30.62251 7.526242 11.37774       6.648820      19.39741       8.345562      3.352394       10.35048      37.38381 10.64663 23.86121 10.64080 13.52260       15.05248 
1 1 1 30 23 8  o 18.73693 6.308393 -7.502505      6.470999      -11.20771      8.522675      -3.795884      9.741212      16.62239 8.080647 20.85147 9.689502 -4.229080      12.61679 
1 1 1 30 23 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 23 10 o 29.24732 12.87609 10.16628       14.57994      10.16628       14.57994      ?              ?             29.24732 12.87609 ?        ?        ?              ?        
1 1 1 30 23 11 o 26.88481 7.641408 8.182618       6.894653      -3.850435      7.105771      20.21921       11.81698      17.48500 8.182915 36.28462 12.90753 -18.79962      15.28282 
1 1 1 30 23 12 o 25.71429 7.003354 7.644195       5.094476      7.530843       7.389152      7.757547       7.016507      25.66270 9.995886 25.76588 9.811735 -0.1031780     14.00671 
1 1 1 30 23 13 o 52.90541 5.141836 32.53210       5.405487      27.73589       7.481250      37.32124       7.800055      48.54735 7.705107 57.26348 6.810671 -8.716125      10.28367 
1 1 1 30 23 14 o 28.34172 6.441598 9.479085       5.049136      19.38324       7.396237      -0.4221664     6.878358      38.00484 9.697296 18.67860 8.481698 19.32625       12.88320 
1 1 1 30 23 15 o 26.92723 6.436657 7.098687       5.345977      -3.641442      7.962997      17.83882       7.141194      17.93759 8.452991 35.91688 9.709232 -17.97930      12.87331 
1 1 1 30 23 16 o 19.98722 6.248505 0.2273422      5.299928      9.557014       8.246379      -9.096521      6.658739      25.84476 10.40014 14.12969 6.929094 11.71507       12.49701 
1 1 1 30 23 17 o 30.65554 6.397635 10.05293       6.258463      -4.125315      10.15920      24.22197       7.311223      19.07249 9.163692 42.23860 8.930041 -23.16611      12.79527 
1 1 1 30 23 18 o 21.61216 6.529212 4.424282       5.479875      -0.6352687     8.423491      9.486169       7.011548      18.58398 8.738994 24.64034 9.703218 -6.056362      13.05842 
1 1 1 30 24 0  o 27.55399 12.93636 12.92216       7.941744      12.92216       7.941744      12.92216       7.941744      27.55399 12.93636 27.55399 12.93636 0.000000       0.000000 
1 1 1 30 24 1  o 23.07442 7.011201 2.931573       5.858896      0.7119941      7.877984      5.150445       8.671450      21.23820 9.393941 24.91063 10.41065 -3.672438      14.02240 
1 1 1 30 24 2  o 48.16719 6.629441 27.91300       6.241460      30.10920       8.515590      25.71680       9.124859      51.17468 8.320122 45.15971 10.32344 6.014969       13.25888 
1 1 1 30 24 3  o 30.81263 6.469438 8.529759       5.877316      -7.679617      7.870899      24.73205       8.728126      17.06667 8.167370 44.55859 10.03537 -27.49193      12.93888 
1 1 1 30 24 4  o 30.60497 8.345784 11.11561       7.651280      2.979040       10.12378      19.25572       11.48400      24.53389 10.76560 36.67604 12.75580 -12.14215      16.69157 
1 1 1 30 24 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 24 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 24 7  o 31.20466 7.218170 11.90199       5.976499      17.93800       7.254546      5.867398       9.500339      37.22592 9.661736 25.18341 10.72655 12.04251       14.43634 
1 1 1 30 24 8  o 26.57032 7.484582 7.516674       6.189034      11.90199       8.742295      3.130648       8.763549      29.98713 11.05841 23.15352 10.08898 6.833616       14.96916 
1 1 1 30 24 9  o 25.45905 7.170476 6.482334       5.709413      9.323226       7.339560      3.644984       8.749379      27.45623 10.13118 23.46185 10.14998 3.994379       14.34095 
1 1 1 30 24 10 o 15.96585 5.486125 -9.301972      5.548594      -8.409323      7.066806      -10.20170      8.558097      15.33845 7.427330 16.59325 8.076202 -1.254800      10.97225 
1 1 1 30 24 11 o 30.56898 7.661074 13.26222       5.973666      14.05568       7.665448      12.46875       9.160281      31.64338 10.43783 29.49459 11.21694 2.148783       15.32215 
1 1 1 30 24 12 o 21.82851 6.292873 -0.7807139     5.489793      11.05185       7.190785      -12.61753      8.295970      28.32633 10.06959 15.33068 7.550127 12.99565       12.58575 
1 1 1 30 24 13 o 46.15679 6.631917 28.24597       5.977916      31.36316       7.771716      25.12878       9.089437      50.95047 7.626737 41.36311 10.85183 9.587357       13.26383 
1 1 1 30 24 14 o 21.65458 6.698370 4.076432       5.559221      3.846893       6.967623      4.306678       8.664365      21.03786 9.078933 22.27130 9.851173 -1.233440      13.39674 
1 1 1 30 24 15 o 33.60298 7.112321 17.03827       5.754754      23.18763       7.516674      10.88182       8.713958      40.75687 9.405626 26.44909 10.67121 14.30777       14.22464 
1 1 1 30 24 16 o 24.94258 7.079550 9.564099       5.547885      10.42133       6.918032      8.713958       8.678535      25.83956 9.770998 24.04561 10.24733 1.793951       14.15910 
1 1 1 30 25 0  o 11.22584 8.028892 -7.622942      7.424574      -7.622942      7.424574      -7.622942      7.424574      11.22584 8.028892 11.22584 8.028892 0.000000       0.000000 
1 1 1 30 25 1  f 19.87838 6.288277 -0.9826226E-01 5.174532      -2.043175      7.197870      1.846934       7.431659      18.56097 8.507076 21.19578 9.262794 -2.634813      12.57655 
1 1 1 30 25 2  f 35.40836 6.976205 16.31564       5.287884      12.01534       7.509589      20.61595       7.452912      30.31091 10.33119 40.50581 9.377439 -10.19490      13.95241 
1 1 1 30 25 3  o 34.78110 7.122568 15.81264       5.241126      16.47150       7.452912      15.15378       7.367898      35.53180 10.04262 34.03040 10.10295 1.501404       14.24514 
1 1 1 30 25 4  o 30.51052 7.020161 11.72488       5.281508      17.32873       7.495420      6.128108       7.438744      36.50309 9.982746 24.51795 9.872964 11.98514       14.04032 
1 1 1 30 25 5  o 29.10912 6.910094 9.967916       5.374315      17.11619       7.459997      2.823889       7.736294      36.14232 9.992375 22.07591 9.547252 14.06641       13.82019 
1 1 1 30 25 6  o 21.22977 6.517040 2.261378       5.179491      0.1267420      7.105771      4.395943       7.537927      19.56014 8.767083 22.89940 9.644973 -3.339266      13.03408 
1 1 1 30 25 7  o 18.39914 6.010903 -2.126064      5.200744      -2.388191      7.105771      -1.863937      7.601687      17.98657 8.326398 18.81170 8.671501 -0.8251286     12.02181 
1 1 1 30 25 8  o 17.56072 5.826148 -3.870981      5.231208      -1.852602      7.006588      -5.889359      7.771716      18.06306 8.325933 17.05837 8.151984 1.004692       11.65230 
1 1 1 30 25 9  o 20.52512 6.388681 2.061595       5.088101      1.563553       7.008713      2.559636       7.374983      20.03627 8.861648 21.01398 9.205009 -0.9777088     12.77736 
1 1 1 30 25 10 o 20.78209 6.483604 -0.2649610     5.869523      6.356938       7.233293      -6.886859      9.245295      23.56835 9.642942 17.99582 8.669612 5.572529       12.96721 
1 1 1 30 25 11 o 21.36802 6.084326 1.310636       4.874856      11.20062       6.794761      -8.579351      6.991711      27.96668 9.803617 14.76936 7.208691 13.19732       12.16865 
1 1 1 30 25 12 o 24.43457 6.891263 6.978250       5.586143      15.25297       8.480167      -1.298592      7.275800      30.80176 10.93662 18.06738 8.387392 12.73438       13.78253 
1 1 1 30 25 13 o 18.54888 5.875111 -3.533049      5.262380      -13.64478      8.012589      6.575140       6.820973      14.29494 7.113086 22.80281 9.352631 -8.507874      11.75022 
1 1 1 30 25 14 o 23.31807 6.985176 7.608772       5.697370      5.537259       8.125941      9.684536       7.984251      21.84588 9.615162 24.79026 10.13506 -2.944374      13.97035 
1 1 1 30 26 0  o 39.14207 11.35816 21.04102       7.707955      21.04102       7.707955      21.04102       7.707955      39.14207 11.35816 39.14207 11.35816 0.000000       0.000000 
1 1 1 30 26 1  o 21.05113 6.372007 1.977289       5.053387      7.424574       7.304138      -3.467163      6.984626      24.91265 9.874058 17.18962 8.056852 7.723024       12.74401 
1 1 1 30 26 2  o 24.38593 6.806314 6.710455       5.033550      10.09544       7.282885      3.327598       6.954163      27.45997 10.09649 21.31189 9.130424 6.148083       13.61263 
1 1 1 30 26 3  o 24.58868 6.913332 7.019340       5.158237      9.153197       7.289969      4.885483       7.297054      26.46932 10.02402 22.70803 9.523421 3.761292       13.82666 
1 1 1 30 26 4  o 14.65589 5.065719 -9.500339      4.925865      -10.11669      7.043427      -8.883986      6.886859      14.55565 7.134280 14.75613 7.193615 -0.2004738     10.13144 
1 1 1 30 26 5  f 26.45813 7.123835 9.266549       5.280799      7.105771       7.339560      11.42733       7.594603      24.40693 9.815758 28.50933 10.32700 -4.102400      14.24767 
1 1 1 30 26 6  o 25.60638 6.750197 7.849646       5.091643      14.25405       7.396237      1.439574       7.000920      31.45458 10.25291 19.75819 8.782853 11.69639       13.50039 
1 1 1 30 26 7  o 22.18862 6.361339 1.438866       5.337476      13.49601       7.892153      -10.61969      7.190785      29.97009 10.55976 14.40715 7.096334 15.56294       12.72268 
1 1 1 30 26 8  o 17.03345 5.729099 -4.093434      5.305595      -2.175656      8.033843      -6.010505      6.930075      18.44259 8.643536 15.62432 7.521940 2.818274       11.45820 
1 1 1 30 26 9  o 18.54886 6.026313 -0.2899693     5.106521      4.337850       8.062181      -4.917363      6.265547      21.90246 9.609041 15.19526 7.275445 6.707203       12.05263 
1 1 1 30 26 10 o 15.26249 5.290590 -10.53468      5.576932      -16.23063      8.026759      -4.847227      7.743378      13.71923 6.859580 16.80574 8.056521 -3.086508      10.58118 
1 1 1 30 26 11 o 26.70801 7.131450 11.20062       5.292843      10.75430       8.097604      11.65403       6.816723      25.96562 10.36335 27.45040 9.799562 -1.484783      14.26290 
1 1 1 30 26 12 o 24.74683 6.725778 8.721042       5.428158      19.92166       8.621859      -2.476039      6.592852      33.32953 11.06985 16.16413 7.642168 17.16539       13.45156 
1 1 1 30 27 0  o 13.81880 9.276055 0.8118857E-01  6.973290      0.8118857E-01  6.973290      0.8118857E-01  6.973290      13.81880 9.276055 13.81880 9.276055 0.000000       0.000000 
1 1 1 30 27 1  f 18.70234 6.023170 -0.7892153     5.110063      -5.737042      7.051221      4.158612       7.396237      15.86642 7.625982 21.53826 9.325166 -5.671838      12.04634 
1 1 1 30 27 2  f 53.48457 5.361077 35.01877       5.720748      37.00244       8.040927      33.02802       8.140111      55.41533 7.255147 51.55381 7.894773 3.861526       10.72215 
1 1 1 30 27 3  o 30.44301 7.199295 13.90691       5.212080      15.82681       7.332476      11.99409       7.403321      32.59790 10.16152 28.28812 10.20112 4.309786       14.39859 
1 1 1 30 27 4  o 27.56096 6.944932 11.02351       5.042760      6.422824       6.838685      15.62136       7.410406      22.94378 9.379945 32.17813 10.24426 -9.234346      13.88986 
1 1 1 30 27 5  o 19.98748 6.349373 2.083557       5.343143      2.230915       8.501422      1.936199       6.470290      20.79552 9.439363 19.17945 8.494504 1.616066       12.69875 
1 1 1 30 27 6  o 22.32961 6.690945 5.963747       5.260962      10.81806       8.501422      1.108019       6.196828      26.38425 10.58356 18.27497 8.189212 8.109280       13.38189 
1 1 1 30 27 7  o 21.45592 6.594536 5.060471       5.308429      9.344479       8.565183      0.7771716      6.271215      24.92342 10.37684 17.98842 8.140810 6.935001       13.18907 
1 1 1 30 27 8  o 18.86509 5.898462 -1.931948      5.253878      -10.72596      8.380984      6.864897       6.334267      15.22351 7.518170 22.50666 9.090903 -7.283150      11.79692 
1 1 1 30 27 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 30 28 0  o 12.75323 8.785865 -1.318429      6.998086      -1.318429      6.998086      -1.318429      6.998086      12.75323 8.785865 12.75323 8.785865 0.000000       0.000000 
1 1 1 30 28 1  o 19.28023 6.159264 2.109770       5.088101      4.331474       7.325392      -0.1127147     7.066806      20.67879 9.113762 17.88167 8.287669 2.797115       12.31853 
1 1 1 30 28 2  o 36.03613 7.110271 20.39633       5.330391      21.65737       7.530843      19.13528       7.545012      37.55220 9.889575 34.52006 10.21862 3.032135       14.22054 
1 1 1 30 28 3  o 16.93702 5.662935 -2.722580      5.292135      -5.325432      8.515590      -0.1196575     6.289635      16.78647 8.134273 17.08758 7.880922 -0.3011112     11.32587 
1 1 1 31 0  1  f 93.94112 3.940305 88.98154       7.374983      88.98154       7.374983      88.98154       7.374983      93.94112 3.940305 93.94112 3.940305 0.000000       0.000000 
1 1 1 31 0  2  o 68.54259 4.857903 47.89843       6.592144      47.89843       6.592144      47.89843       6.592144      68.54259 4.857903 68.54259 4.857903 0.000000       0.000000 
1 1 1 31 0  3  o 107.8670 3.786708 117.1071       8.147196      117.1071       8.147196      117.1071       8.147196      107.8670 3.786708 107.8670 3.786708 0.000000       0.000000 
1 1 1 31 0  4  o 70.09773 5.117970 50.16547       7.098687      50.16547       7.098687      50.16547       7.098687      70.09773 5.117970 70.09773 5.117970 0.000000       0.000000 
1 1 1 31 0  5  o 103.1105 3.783180 107.0471       7.778800      107.0471       7.778800      107.0471       7.778800      103.1105 3.783180 103.1105 3.783180 0.000000       0.000000 
1 1 1 31 0  6  o 43.77507 7.018085 20.46009       5.755462      20.46009       5.755462      20.46009       5.755462      43.77507 7.018085 43.77507 7.018085 0.000000       0.000000 
1 1 1 31 0  7  o 15.99591 9.679701 2.745251       5.575515      2.745251       5.575515      2.745251       5.575515      15.99591 9.679701 15.99591 9.679701 0.000000       0.000000 
1 1 1 31 0  8  o 23.41492 11.25308 8.310139       6.043094      8.310139       6.043094      8.310139       6.043094      23.41492 11.25308 23.41492 11.25308 0.000000       0.000000 
1 1 1 31 0  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 0  10 o 72.63090 5.934366 54.32409       8.508506      54.32409       8.508506      54.32409       8.508506      72.63090 5.934366 72.63090 5.934366 0.000000       0.000000 
1 1 1 31 0  11 o 108.1678 3.918037 117.9572       8.451830      117.9572       8.451830      117.9572       8.451830      108.1678 3.918037 108.1678 3.918037 0.000000       0.000000 
1 1 1 31 0  12 o 22.25710 10.86749 7.537927       5.659822      7.537927       5.659822      7.537927       5.659822      22.25710 10.86749 22.25710 10.86749 0.000000       0.000000 
1 1 1 31 0  13 o 26.15595 11.12452 9.960832       5.875899      9.960832       5.875899      9.960832       5.875899      26.15595 11.12452 26.15595 11.12452 0.000000       0.000000 
1 1 1 31 0  14 o 61.24192 6.108599 39.02861       7.346645      39.02861       7.346645      39.02861       7.346645      61.24192 6.108599 61.24192 6.108599 0.000000       0.000000 
1 1 1 31 0  15 f 23.42596 10.91461 8.310139       5.648486      8.310139       5.648486      8.310139       5.648486      23.42596 10.91461 23.42596 10.91461 0.000000       0.000000 
1 1 1 31 0  16 o 17.84602 10.65241 3.900027       6.575850      3.900027       6.575850      3.900027       6.575850      17.84602 10.65241 17.84602 10.65241 0.000000       0.000000 
1 1 1 31 0  17 o 90.87407 4.189940 83.66816       7.580434      83.66816       7.580434      83.66816       7.580434      90.87407 4.189940 90.87407 4.189940 0.000000       0.000000 
1 1 1 31 0  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 0  19 o 26.67023 11.25911 10.52759       6.028216      10.52759       6.028216      10.52759       6.028216      26.67023 11.25911 26.67023 11.25911 0.000000       0.000000 
1 1 1 31 0  20 o 82.85098 4.469606 69.93836       7.360813      69.93836       7.360813      69.93836       7.360813      82.85098 4.469606 82.85098 4.469606 0.000000       0.000000 
1 1 1 31 0  21 o 85.29744 4.338610 74.10406       7.360813      74.10406       7.360813      74.10406       7.360813      85.29744 4.338610 85.29744 4.338610 0.000000       0.000000 
1 1 1 31 0  22 o 16.54351 9.808415 3.662696       5.513172      3.662696       5.513172      3.662696       5.513172      16.54351 9.808415 16.54351 9.808415 0.000000       0.000000 
1 1 1 31 0  23 o 20.60888 10.82722 6.842227       5.839059      6.842227       5.839059      6.842227       5.839059      20.60888 10.82722 20.60888 10.82722 0.000000       0.000000 
1 1 1 31 0  24 o 33.72962 17.40095 24.24322       14.89166      24.24322       14.89166      24.24322       14.89166      33.72962 17.40095 33.72962 17.40095 0.000000       0.000000 
1 1 1 31 0  25 o 11.54652 8.007984 -2.392442      5.972248      -2.392442      5.972248      -2.392442      5.972248      11.54652 8.007984 11.54652 8.007984 0.000000       0.000000 
1 1 1 31 0  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 0  27 o 15.02429 9.339972 2.703452       5.486959      2.703452       5.486959      2.703452       5.486959      15.02429 9.339972 15.02429 9.339972 0.000000       0.000000 
1 1 1 31 0  28 o 10.15220 7.140849 -3.897902      5.263088      -3.897902      5.263088      -3.897902      5.263088      10.15220 7.140849 10.15220 7.140849 0.000000       0.000000 
1 1 1 31 0  29 o 12.45839 8.332699 -0.5050553E-01 5.523799      -0.5050553E-01 5.523799      -0.5050553E-01 5.523799      12.45839 8.332699 12.45839 8.332699 0.000000       0.000000 
1 1 1 31 0  30 o 21.42281 11.04668 8.926493       5.999878      8.926493       5.999878      8.926493       5.999878      21.42281 11.04668 21.42281 11.04668 0.000000       0.000000 
1 1 1 31 1  0  o 20.61903 10.58280 6.406529       5.491918      6.406529       5.491918      6.406529       5.491918      20.61903 10.58280 20.61903 10.58280 0.000000       0.000000 
1 1 1 31 1  1  o 71.51144 3.301883 51.93660       4.692785      60.65056       6.812472      43.22973       6.456121      77.58543 4.390304 65.43744 4.933049 12.14799       6.603766 
1 1 1 31 1  2  o 78.95715 3.054883 62.81842       4.819597      65.29092       6.741627      60.35301       6.888276      80.52683 4.185951 77.38747 4.450511 3.139359       6.109766 
1 1 1 31 1  3  o 130.3006 2.519135 170.6660       6.565223      168.6824       9.209873      172.5788       9.358648      129.5581 3.554340 131.0430 3.570832 -1.484833      5.038270 
1 1 1 31 1  4  o 106.6420 2.689797 114.4150       5.734209      109.8809       8.111773      118.9491       8.104689      104.5159 3.880642 108.7681 3.725674 -4.252220      5.379594 
1 1 1 31 1  5  o 51.77886 4.109296 27.43834       4.209620      22.02577       5.822765      32.84383       6.080641      46.57042 6.251570 56.98730 5.335085 -10.41687      8.218593 
1 1 1 31 1  6  o 31.30616 5.796383 10.36465       3.912071      15.53635       5.630066      5.189409       5.433825      38.33018 7.614704 24.28214 8.741196 14.04805       11.59277 
1 1 1 31 1  7  o 24.79007 6.331588 5.181617       4.124607      7.637110       5.909905      2.723289       5.754045      27.67250 9.164986 21.90763 8.738368 5.764868       12.66318 
1 1 1 31 1  8  o 49.36754 5.423192 26.70155       4.916656      15.06169       6.818849      38.34141       7.084518      37.31778 9.185841 61.41730 5.767526 -24.09953      10.84638 
1 1 1 31 1  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 1  10 o 48.75027 5.601782 25.70972       5.252461      34.45201       8.012589      16.97450       6.796178      57.90284 6.918996 39.59769 8.811774 18.30515       11.20356 
1 1 1 31 1  11 f 86.02695 3.077205 74.88335       5.288592      69.48495       7.403321      80.26759       7.552096      82.90237 4.465084 89.15152 4.235539 -6.249146      6.154411 
1 1 1 31 1  12 o 147.4312 2.500082 218.9116       7.367898      224.7209       10.53468      213.0314       10.31506      149.4029 3.525594 145.4596 3.545678 3.943253       5.000165 
1 1 1 31 1  13 o 145.2998 2.509040 212.6064       7.289969      208.9933       10.20879      216.2903       10.41424      144.0546 3.543374 146.5450 3.553257 -2.490387      5.018081 
1 1 1 31 1  14 o 59.47745 4.523997 36.98118       5.230500      47.42376       7.502505      26.54569       7.289969      68.23273 5.497732 50.72216 7.186177 17.51056       9.047994 
1 1 1 31 1  15 o 29.87222 5.872218 9.287803       3.969455      14.55868       5.533009      4.011962       5.694535      36.77524 7.763769 22.96919 8.812244 13.80605       11.74444 
1 1 1 31 1  16 o 83.03099 3.408786 70.12965       5.630774      66.64406       8.572267      73.60814       7.304138      80.82557 5.302942 85.23642 4.284635 -4.410851      6.817572 
1 1 1 31 1  17 o 23.54390 6.383194 4.330766       4.265588      2.347809       5.499003      6.313722       6.521298      20.90676 8.459749 26.18104 9.561030 -5.274277      12.76639 
1 1 1 31 1  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 1  19 o 24.92990 6.312506 4.855729       4.397360      9.677451       5.929741      0.3533049E-01  6.495085      29.68934 9.114568 20.17047 8.735879 9.518877       12.62501 
1 1 1 31 1  20 o 63.03367 3.726202 40.87767       4.698452      40.63680       5.819223      41.11854       7.374983      63.05389 4.614484 63.01345 5.851912 0.4044342E-01  7.452404 
1 1 1 31 1  21 o 21.35343 5.649405 1.320554       3.926948      7.637110       4.972623      -4.994585      6.079224      26.52432 8.386401 16.18253 7.571748 10.34179       11.29881 
1 1 1 31 1  22 o 54.92083 4.088817 31.61820       4.480958      29.74789       6.410071      33.48143       6.264131      53.19151 6.025465 56.65014 5.528786 -3.458630      8.177634 
1 1 1 31 1  23 o 59.24260 3.852398 36.71197       4.555345      39.57412       6.475249      33.85691       6.408655      61.64161 5.252337 56.84359 5.637095 4.798012       7.704796 
1 1 1 31 1  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 1  25 o 18.83386 5.967999 0.8118857      4.660904      3.467872       7.233293      -1.844100      5.878025      21.22052 9.205207 16.44719 7.598170 4.773331       11.93600 
1 1 1 31 1  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 1  27 o 24.33636 6.282937 6.824516       4.010545      5.813555       5.712247      7.835476       5.630774      23.17527 8.844867 25.49744 8.925777 -2.322178      12.56587 
1 1 1 31 1  28 o 15.20801 5.013525 -3.081057      3.771798      -1.200117      5.282925      -4.961997      5.384233      16.20911 7.379711 14.20691 6.788342 2.002198       10.02705 
1 1 1 31 1  29 o 35.12810 6.036282 16.59194       4.314471      21.45900       6.231542      11.73196       5.968707      41.30799 7.826892 28.94820 9.191657 12.35978       12.07256 
1 1 1 31 1  30 o 39.46437 5.738360 20.89224       4.461121      17.02410       6.193994      24.76748       6.422115      34.49492 8.915786 44.43382 7.226607 -9.938908      11.47672 
1 1 1 31 2  0  o 16.51348 9.722543 3.365855       5.354478      3.365855       5.354478      3.365855       5.354478      16.51348 9.722543 16.51348 9.722543 0.000000       0.000000 
1 1 1 31 2  1  o 107.4551 2.674784 116.1152       5.749086      115.1234       8.083434      117.1071       8.175533      106.9970 3.777411 107.9132 3.788013 -0.9161911     5.349568 
1 1 1 31 2  2  o 81.62371 2.995463 67.09747       4.890443      66.36776       6.873399      67.82008       6.957705      81.18238 4.233307 82.06504 4.239141 -0.8826599     5.990927 
1 1 1 31 2  3  o 116.6600 2.571094 136.8020       5.997753      135.6685       8.444746      137.9356       8.522675      116.1770 3.634431 117.1431 3.637720 -0.9661102     5.142188 
1 1 1 31 2  4  o 108.4578 2.651522 118.3115       5.751920      114.6275       8.055097      121.9954       8.210957      106.7652 3.772342 110.1503 3.727159 -3.385139      5.303044 
1 1 1 31 2  5  o 50.76389 4.153481 26.12770       4.216705      26.12062       6.044511      26.13479       5.881567      50.74728 5.955503 50.78050 5.791167 -0.3322220E-01 8.306963 
1 1 1 31 2  6  o 73.08037 3.262556 54.28157       4.717580      45.00086       6.650237      63.55521       6.692744      66.73517 4.982558 79.42558 4.213217 -12.69041      6.525112 
1 1 1 31 2  7  o 45.74583 4.817504 21.41650       4.390984      19.41158       6.230125      23.41433       6.189743      43.55522 7.151985 47.93644 6.456199 -4.381222      9.635009 
1 1 1 31 2  8  o 101.6188 9.945069 108.4640       20.21213      108.4640       20.21213      ?              ?             101.6188 9.945069 ?        ?        ?              ?        
1 1 1 31 2  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 2  10 o 29.17194 6.653482 8.735210       4.467497      6.970457       6.327183      10.49217       6.309471      26.99761 9.460635 31.34626 9.357975 -4.348648      13.30696 
1 1 1 31 2  11 o 34.11744 5.705502 12.36248       4.293218      4.373273       5.901403      20.35382       6.237210      23.71517 9.007831 44.51971 7.004998 -20.80454      11.41100 
1 1 1 31 2  12 o 26.04345 5.934221 5.853229       3.989292      11.42024       5.560638      0.2858603      5.721456      32.55907 8.462787 19.52784 8.321127 13.03123       11.86844 
1 1 1 31 2  13 o 34.26722 6.042974 12.95758       4.339267      6.876233       5.571265      19.03610       6.653780      26.34991 8.898544 42.18453 8.178391 -15.83462      12.08595 
1 1 1 31 2  14 o 31.36035 6.130187 10.62678       4.014087      8.614774       5.589684      12.63170       5.761838      28.59117 8.864008 34.12952 8.470308 -5.538353      12.26037 
1 1 1 31 2  15 o 44.17975 4.663086 20.09169       4.119648      19.84373       5.822057      20.33965       5.831267      43.90015 6.631021 44.45935 6.557975 -0.5592003     9.326172 
1 1 1 31 2  16 o 39.06592 6.216839 17.01701       4.831641      11.32814       6.308055      22.69880       7.318307      32.22855 9.281414 45.90329 8.273556 -13.67474      12.43368 
1 1 1 31 2  17 o 55.62201 5.094941 32.21330       5.654862      31.92992       5.801512      32.49669       9.705790      55.90974 5.188284 55.33428 8.770142 0.5754585      10.18988 
1 1 1 31 2  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 2  19 o 23.42233 6.304496 4.505753       4.140901      4.940743       5.127066      4.071473       6.503587      23.20247 8.477164 23.64219 9.334043 -0.4397125     12.60899 
1 1 1 31 2  20 o 31.16671 5.962728 10.31506       4.203244      15.58594       5.364397      5.044177       6.472415      37.85819 7.347054 24.47523 9.393471 13.38296       11.92546 
1 1 1 31 2  21 o 73.27818 3.334830 55.08213       4.879816      55.64889       6.135192      54.51536       7.587519      73.86225 4.153131 72.69410 5.218800 1.168152       6.669660 
1 1 1 31 2  22 o 70.73901 3.407396 51.83033       4.854311      47.41668       5.997753      56.24399       7.637110      67.90584 4.416227 73.57220 5.190215 -5.666359      6.814793 
1 1 1 31 2  23 o 56.04775 4.313566 33.14846       4.838726      32.44001       6.553179      33.85691       7.119940      55.54364 5.899126 56.55185 6.295055 -1.008209      8.627131 
1 1 1 31 2  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 2  25 o 71.46318 3.842929 55.59929       5.490501      58.84400       7.913406      52.35459       7.615856      73.61322 5.374990 69.31315 5.493804 4.300072       7.685857 
1 1 1 31 2  26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 2  27 o 50.85783 4.343418 28.59312       4.400903      25.58219       6.167073      31.60404       6.279717      47.94473 6.431440 53.77094 5.839323 -5.826210      8.686835 
1 1 1 31 2  28 o 32.28133 5.955646 13.43933       4.006295      17.34290       5.746252      9.542846       5.584017      37.51182 7.906557 27.05083 8.908715 10.46099       11.91129 
1 1 1 31 2  29 o 24.01659 5.543655 5.135567       4.077848      -4.763630      5.706579      15.03335       5.825599      14.51921 6.949732 33.51397 8.638847 -18.99476      11.08731 
1 1 1 31 2  30 o 46.19195 4.805364 26.22688       4.439159      25.91516       6.208871      26.53860       6.347728      45.97157 6.752947 46.41233 6.838407 -0.4407578     9.610728 
1 1 1 31 3  0  o 49.96244 6.111503 26.24105       5.955954      26.24105       5.955954      26.24105       5.955954      49.96244 6.111503 49.96244 6.111503 0.000000       0.000000 
1 1 1 31 3  1  o 61.34014 3.572934 38.02969       4.380357      40.23298       6.257046      35.83349       6.131650      63.12702 4.955918 59.55326 5.148039 3.573757       7.145867 
1 1 1 31 3  2  o 51.00714 4.275211 27.11245       4.215288      35.92559       6.121732      18.29222       5.796553      59.63114 5.132999 42.38314 6.838277 17.24800       8.550422 
1 1 1 31 3  3  o 65.74322 3.504283 43.69022       4.602811      40.70055       6.429908      46.67989       6.589310      63.47724 5.064735 68.00919 4.844426 -4.531952      7.008566 
1 1 1 31 3  4  o 94.44321 2.791034 89.83168       5.269464      93.86986       7.530843      85.72267       7.374983      96.59370 3.898206 92.29272 3.995431 4.300987       5.582067 
1 1 1 31 3  5  o 53.36134 4.046519 29.35116       4.242918      21.75655       5.793010      36.93867       6.201787      46.27211 6.259721 60.45058 5.129634 -14.17847      8.093038 
1 1 1 31 3  6  o 56.52470 3.932212 32.41875       4.435616      34.68580       6.248545      30.15171       6.297428      58.53302 5.337624 54.51640 5.775720 4.016621       7.864424 
1 1 1 31 3  7  o 41.10455 5.621272 17.94508       4.456870      17.52710       6.217373      18.36307       6.387401      40.61792 7.936561 41.59116 7.962776 -0.9732399     11.24254 
1 1 1 31 3  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 3  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 3  10 f 32.06691 6.352933 11.03059       4.413655      6.691327       6.018298      15.36632       6.457538      26.44559 9.230666 37.68823 8.731198 -11.24264      12.70587 
1 1 1 31 3  11 o 75.70549 3.292672 57.98678       4.985375      58.00803       7.059722      57.97261       7.041303      75.71602 4.661974 75.69496 4.651104 0.2105713E-01  6.585345 
1 1 1 31 3  12 o 32.48104 6.138021 11.34231       4.098393      12.96467       5.661238      9.719957       5.926908      34.69262 8.265379 30.26946 9.076601 4.423153       12.27604 
1 1 1 31 3  13 o 55.64117 5.373983 32.71630       5.466414      39.72289       6.344185      25.70972       8.905238      62.55886 5.070574 48.72347 9.476712 13.83538       10.74797 
1 1 1 31 3  14 o 30.98463 5.635038 9.061099       4.237250      16.47859       5.298511      1.645733       6.614106      40.04112 6.616337 21.92813 9.123526 18.11298       11.27008 
1 1 1 31 3  15 o 60.85694 4.500064 38.15013       5.459329      34.38825       7.693786      41.91201       7.743378      57.77156 6.658801 63.94231 6.054972 -6.170750      9.000128 
1 1 1 31 3  16 o 53.42499 4.404450 29.38658       4.739542      27.50210       5.628649      31.27814       7.630026      51.88567 5.424089 54.96431 6.940892 -3.078640      8.808900 
1 1 1 31 3  17 o 67.88297 3.845582 47.40959       5.088101      54.18239       6.306637      40.63680       7.984251      73.05260 4.316505 62.71334 6.365673 10.33927       7.691164 
1 1 1 31 3  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 3  19 o 49.46298 5.083344 26.55986       4.536926      34.76373       5.732083      18.36307       7.034218      58.28715 4.917107 40.63881 8.898517 17.64834       10.16669 
1 1 1 31 3  20 f 21.48856 6.172172 2.711953       4.162862      1.465787       5.466414      3.958828       6.279008      19.80144 8.269968 23.17568 9.164631 -3.374243      12.34434 
1 1 1 31 3  21 o 30.21545 5.746783 9.656199       3.983624      15.38049       5.165322      3.921989       6.065056      37.58822 7.129274 22.84269 9.015292 14.74553       11.49357 
1 1 1 31 3  22 o 47.02819 4.844891 24.81706       4.444118      15.33798       5.291427      34.29615       7.141194      37.15069 7.383864 56.90570 6.274586 -19.75501      9.689782 
1 1 1 31 3  23 o 21.47841 6.079293 3.097352       4.080682      -0.1693908     5.067555      6.364731       6.397319      17.55868 7.661313 25.39815 9.441160 -7.839472      12.15859 
1 1 1 31 3  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 3  25 o 37.90382 6.718876 18.05135       5.102978      18.49059       6.802555      17.61211       7.608772      38.84232 8.936838 36.96532 10.03524 1.877003       13.43775 
1 1 1 31 3  26 f 22.21726 6.306676 4.448369       4.371148      1.864645       6.079933      7.032093       6.282550      19.74578 8.500624 24.68873 9.318586 -4.942955      12.61335 
1 1 1 31 3  27 o 25.84922 6.391510 8.232210       4.082807      7.736294       5.708704      8.735210       5.838351      25.24062 8.972121 26.45782 9.105309 -1.217209      12.78302 
1 1 1 31 3  28 o 39.51897 5.332536 18.85190       4.120355      21.19688       5.891485      16.51401       5.761838      42.73601 6.892881 36.30194 8.138300 6.434074       10.66507 
1 1 1 31 3  29 o 40.58879 5.781809 21.11895       4.588642      18.96525       6.865606      23.27264       6.089143      36.97800 9.288136 44.19958 6.888237 -7.221581      11.56362 
1 1 1 31 3  30 o 21.87270 6.316580 6.322224       4.483083      7.835476       5.914864      4.812513       6.738085      23.15823 8.959095 20.58717 8.906816 2.571066       12.63316 
1 1 1 31 4  0  o 119.8420 3.619228 144.3825       8.657280      144.3825       8.657280      144.3825       8.657280      119.8420 3.619228 119.8420 3.619228 0.000000       0.000000 
1 1 1 31 4  1  o 21.79181 5.940988 2.050968       4.000627      -2.649610      5.543635      6.751545       5.770339      17.06500 7.692067 26.51863 9.056129 -9.453630      11.88198 
1 1 1 31 4  2  o 50.26545 4.300291 25.75222       4.304553      29.28740       6.217373      22.22413       5.955245      53.76271 5.782236 46.76819 6.366769 6.994514       8.600581 
1 1 1 31 4  3  o 23.61101 6.089429 4.721831       3.752669      5.430991       5.259546      4.013380       5.354478      24.40936 8.618435 22.81265 8.605067 1.596714       12.17886 
1 1 1 31 4  4  o 50.92904 4.264413 26.63779       4.293218      20.81431       5.875899      32.46835       6.259880      45.23185 6.495312 56.62624 5.527367 -11.39439      8.528826 
1 1 1 31 4  5  o 53.00270 4.243822 28.54352       4.496543      27.33207       6.334267      29.74789       6.383151      51.86636 6.106335 54.13903 5.895147 -2.272667      8.487643 
1 1 1 31 4  6  o 122.3380 2.643384 150.6877       6.468165      144.8075       8.997337      156.5679       9.294888      119.9476 3.750529 124.7284 3.726051 -4.780838      5.286769 
1 1 1 31 4  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 4  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 4  9  o 77.21921 3.755777 60.93393       5.834100      51.94368       7.424574      69.92419       9.004422      71.51899 5.190632 82.91942 5.429622 -11.40043      7.511555 
1 1 1 31 4  10 o 97.30655 2.885585 95.57014       5.616605      97.48296       8.012589      93.65733       7.870899      98.28141 4.076351 96.33169 4.085312 1.949722       5.771171 
1 1 1 31 4  11 o 113.6461 2.828020 130.2843       6.453288      125.8210       7.743378      134.8184       10.32923      111.8065 3.462849 115.4858 4.472077 -3.679321      5.656040 
1 1 1 31 4  12 o 97.16589 3.023696 95.42845       5.893611      93.01972       6.914490      97.76635       9.549930      96.10036 3.597536 98.23142 4.860935 -2.131065      6.047392 
1 1 1 31 4  13 o 87.77147 3.162805 77.92970       5.533717      79.27575       6.594269      76.65448       8.891070      88.66999 3.718434 86.87294 5.117284 1.797050       6.325610 
1 1 1 31 4  14 o 40.23504 5.630439 17.15162       4.451911      17.31456       5.260962      16.99576       7.183701      41.06605 6.405490 39.40403 9.261591 1.662014       11.26088 
1 1 1 31 4  15 o 70.94128 4.550159 51.90826       6.508547      56.75408       10.30089      47.05537       7.962997      74.09666 6.950980 67.78589 5.873640 6.310776       9.100317 
1 1 1 31 4  16 o 69.20538 3.664649 48.86900       5.042051      50.83850       6.269090      46.90659       7.899237      70.78226 4.428433 67.62849 5.840169 3.153763       7.329297 
1 1 1 31 4  17 o 33.43323 6.246199 12.00117       4.516380      16.14561       5.576224      7.863815       7.105771      38.68895 7.473188 28.17751 10.01057 10.51143       12.49240 
1 1 1 31 4  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 4  19 o 62.53909 3.922604 40.32507       4.828807      44.00194       5.926908      36.64821       7.622942      65.69824 4.510705 59.37992 6.418787 6.318317       7.845207 
1 1 1 31 4  20 o 79.82418 3.423675 65.45387       5.440909      68.78358       7.169532      62.12413       8.182618      82.04857 4.369078 77.59979 5.272319 4.448776       6.847349 
1 1 1 31 4  21 o 77.66550 3.330260 62.07454       5.207829      56.48486       6.500045      67.66422       8.140111      74.30085 4.374139 81.03015 5.022890 -6.729301      6.660520 
1 1 1 31 4  22 o 19.32784 5.827196 1.012378       4.024714      -1.334015      4.964830      3.358770       6.335684      16.41359 7.343222 22.24209 9.049969 -5.828501      11.65439 
1 1 1 31 4  23 o 44.43176 5.312471 22.47918       4.630441      13.63061       5.544343      31.32774       7.417490      34.69245 8.125073 54.17108 6.846356 -19.47863      10.62494 
1 1 1 31 4  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 4  25 o 21.40413 6.266515 3.272339       4.409404      1.689657       5.472790      4.854311       6.915198      19.29782 8.177450 23.51044 9.497691 -4.212610      12.53303 
1 1 1 31 4  26 o 24.30217 6.347316 6.595686       4.172781      7.615856       5.280799      5.574807       6.462497      25.22980 8.661859 23.37454 9.280404 1.855267       12.69463 
1 1 1 31 4  27 o 19.96961 5.867530 3.006670       3.879482      2.140941       5.423198      3.872397       5.548594      19.11171 8.121266 20.82750 8.470932 -1.715790      11.73506 
1 1 1 31 4  28 o 24.05655 6.435759 7.105771       4.327223      8.579351       5.864564      5.628649       6.364731      25.57037 9.093329 22.54272 9.109738 3.027653       12.87152 
1 1 1 31 4  29 o 23.55108 6.394518 6.825933       4.485917      10.08835       6.011213      3.560679       6.660155      26.66177 9.232966 20.44038 8.849395 6.221390       12.78904 
1 1 1 31 5  0  o 33.21967 10.37549 14.00609       6.027507      14.00609       6.027507      14.00609       6.027507      33.21967 10.37549 33.21967 10.37549 0.000000       0.000000 
1 1 1 31 5  1  o 27.48333 6.237176 7.459997       3.999210      10.13086       5.656987      4.789842       5.654153      30.92087 8.752572 24.04579 8.888304 6.875084       12.47435 
1 1 1 31 5  2  o 35.36232 6.054700 13.41099       4.254253      11.54776       5.937534      15.26714       6.093394      32.88855 8.836493 37.83609 8.279733 -4.947548      12.10940 
1 1 1 31 5  3  o 33.70106 5.883948 12.17120       4.118939      7.001628       5.814264      17.34290       5.835517      26.83710 9.090536 40.56503 7.472986 -13.72793      11.76790 
1 1 1 31 5  4  o 58.84017 3.928119 35.18880       4.597852      38.96485       6.449745      31.40567       6.554596      62.05821 5.196528 55.62212 5.892076 6.436089       7.856238 
1 1 1 31 5  5  o 136.0051 2.587610 186.1103       7.037760      181.6470       9.854564      190.6444       10.05293      134.3596 3.667235 137.6506 3.651613 -3.290970      5.175219 
1 1 1 31 5  6  o 42.82530 6.994407 19.36907       6.204620      25.19963       7.051930      13.53143       10.20879      49.57285 7.112694 36.07775 12.04560 13.49509       13.98881 
1 1 1 31 5  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 5  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 5  9  o 22.67779 6.115095 1.048509       4.547552      7.587519       5.608813      -5.487668      7.162447      27.30202 8.928476 18.05356 8.358221 9.248459       12.23019 
1 1 1 31 5  10 o 90.83434 3.179346 83.45561       5.724290      88.69817       7.155363      78.28393       8.940661      93.80843 3.813817 87.86024 5.088002 5.948181       6.358692 
1 1 1 31 5  11 f 22.22074 6.304837 2.299635       4.421447      4.070055       5.288592      0.5286467      7.084518      22.68103 8.552980 21.76045 9.265550 0.9205799      12.60967 
1 1 1 31 5  12 o 82.32841 3.757135 68.87569       6.168490      69.19449       6.529800      68.55688       10.47092      82.81428 3.942436 81.84256 6.396988 0.9717178      7.514271 
1 1 1 31 5  13 f 54.94148 4.448136 31.00185       4.779924      34.43076       5.725707      27.58003       7.658363      58.24177 4.915465 51.64119 7.414976 6.600578       8.896273 
1 1 1 31 5  14 o 32.53061 6.272271 11.20062       4.393818      13.75105       5.237584      8.657280       7.056180      35.77204 7.554905 29.28917 10.01444 6.482864       12.54454 
1 1 1 31 5  15 o 17.05258 5.547155 -5.413280      4.493710      -10.15211      6.167073      -0.6757922     6.537593      14.17804 6.886538 19.92711 8.698236 -5.749072      11.09431 
1 1 1 31 5  16 o 136.7165 2.733271 189.2275       7.410406      200.2793       9.273635      178.1756       11.56902      140.9284 3.290194 132.5046 4.365515 8.423767       5.466543 
1 1 1 31 5  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 5  18 o 24.97023 10.14459 3.939700       7.948828      3.939700       7.948828      ?              ?             24.97023 10.14459 ?        ?        ?              ?        
1 1 1 31 5  19 o 65.07524 3.848910 43.58395       5.004504      43.59812       6.203204      43.57687       7.856731      65.30428 4.749462 64.84620 6.057973 0.4580841      7.697820 
1 1 1 31 5  20 o 24.55091 6.442493 5.584017       4.264171      5.593935       5.273715      5.574807       6.702662      23.98236 8.613614 25.11946 9.582721 -1.137108      12.88499 
1 1 1 31 5  21 o 20.61725 5.981974 1.010252       4.275506      4.619813       5.150445      -2.598601      6.826642      22.58531 8.456183 18.64919 8.463392 3.936123       11.96395 
1 1 1 31 5  22 o 35.27068 5.735255 13.99901       4.338559      21.26772       5.635734      6.740918       6.597104      44.74910 6.297036 25.79225 9.587489 18.95686       11.47051 
1 1 1 31 5  23 o 53.16830 4.612945 30.22964       4.814638      33.58770       6.143694      26.87158       7.417490      56.64845 5.422650 49.68816 7.464042 6.960285       9.225890 
1 1 1 31 5  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 5  25 o 44.33892 7.561024 25.39091       6.645278      22.59961       9.146112      28.17513       9.642029      41.62494 10.86948 47.05291 10.51336 -5.427967      15.12205 
1 1 1 31 5  26 o 23.53078 6.604484 5.584017       4.818889      5.256712       5.032842      5.911322       8.218040      22.28846 8.356300 24.77310 10.22981 -2.484640      13.20897 
1 1 1 31 5  27 o 49.91249 5.076502 29.25906       5.205703      23.29390       5.541510      35.22422       8.813140      45.74832 6.056518 54.07666 8.148747 -8.328339      10.15300 
1 1 1 31 5  28 o 19.61758 6.090849 1.509002       4.822432      3.419697       5.649903      -0.4011962     7.814223      19.97664 8.379009 19.25852 8.842284 0.7181244      12.18170 
1 1 1 31 5  29 o 24.95114 6.473435 8.465999       4.432074      11.20771       5.941785      5.720748       6.577975      27.91721 9.189676 21.98507 9.119831 5.932144       12.94687 
1 1 1 31 6  0  o 41.28797 8.716531 19.36199       6.332142      19.36199       6.332142      19.36199       6.332142      41.28797 8.716531 41.28797 8.716531 0.000000       0.000000 
1 1 1 31 6  1  o 38.72659 5.716668 15.84098       4.366188      19.34073       6.148653      12.34832       6.199661      43.51121 7.065597 33.94198 8.988798 9.569233       11.43334 
1 1 1 31 6  2  o 91.89429 3.038383 85.15590       5.580475      88.06055       7.849646      82.25125       7.934660      93.47874 4.198627 90.30985 4.393020 3.168884       6.076766 
1 1 1 31 6  3  o 67.01736 3.611668 45.54636       4.828807      41.23898       6.767839      49.85375       6.888276      63.81071 5.303060 70.22403 4.904501 -6.413322      7.223335 
1 1 1 31 6  4  o 51.82542 4.355541 27.39583       4.495126      25.02252       6.456830      29.76914       6.254921      49.52087 6.519301 54.12997 5.777687 -4.609100      8.711082 
1 1 1 31 6  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 6  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 6  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 6  8  o 189.3436 2.700052 361.6646       10.27963      344.6618       12.27038      378.7383       16.50693      185.0732 3.315009 193.6140 4.262844 -8.540833      5.400104 
1 1 1 31 6  9  o 96.56433 3.070094 94.57832       5.999169      83.52647       7.176617      105.5593       9.613690      91.00546 3.942959 102.1232 4.706909 -11.11773      6.140189 
1 1 1 31 6  10 o 97.21188 2.995455 95.49931       5.862438      90.32761       6.995253      100.6710       9.408240      94.69024 3.693756 99.73351 4.716689 -5.043274      5.990909 
1 1 1 31 6  11 o 105.6557 2.922478 112.7855       6.216664      106.8345       7.346645      118.7365       10.03168      102.9942 3.566534 108.3171 4.630698 -5.322929      5.844957 
1 1 1 31 6  12 o 116.2751 3.239640 136.9437       7.481250      140.1318       7.962997      133.6848       12.67420      117.9748 3.374871 114.5755 5.530941 3.399391       6.479280 
1 1 1 31 6  13 o 80.49899 3.378619 65.91436       5.343852      72.82884       6.556721      59.01403       8.437660      84.93113 3.860023 76.06684 5.546215 8.864288       6.757239 
1 1 1 31 6  14 o 71.77699 3.830525 52.59546       5.467123      55.50011       7.169532      49.69790       8.260548      73.89932 4.850878 69.65467 5.929644 4.244652       7.661050 
1 1 1 31 6  15 o 21.48622 6.226326 2.101976       4.342101      -0.4624065     5.324015      4.666572       6.860647      18.13183 7.881863 24.84061 9.640788 -6.708786      12.45265 
1 1 1 31 6  16 o 76.11749 3.573263 59.16280       5.422490      60.92685       7.027842      57.40585       8.260548      77.40140 4.539867 74.83359 5.519279 2.567810       7.146526 
1 1 1 31 6  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 6  18 o 75.21801 3.670934 58.29850       5.392735      66.45277       6.781301      50.15130       8.388069      80.83234 4.194670 69.60368 6.025594 11.22867       7.341869 
1 1 1 31 6  19 o 36.96738 5.916545 14.93416       4.415780      18.06552       5.429574      11.79572       6.966206      41.56668 6.531163 32.36809 9.867418 9.198589       11.83309 
1 1 1 31 6  20 o 24.83558 6.118133 5.124940       4.159320      9.181536       5.123523      1.069762       6.552470      28.76698 8.390823 20.90417 8.906194 7.862818       12.23627 
1 1 1 31 6  21 o 97.30789 2.994845 97.19958       5.867398      90.61098       7.162447      103.8590       9.294888      94.22533 3.800702 100.3904 4.629369 -6.165123      5.989690 
1 1 1 31 6  22 o 71.53152 3.622675 53.47394       5.247502      46.05645       6.281133      60.89851       8.409323      66.75726 4.704457 76.30579 5.510278 -9.548531      7.245349 
1 1 1 31 6  23 o 29.74688 7.258735 11.29272       5.805762      2.094184       6.851437      20.48843       9.372816      20.91523 9.014185 38.57853 11.37987 -17.66330      14.51747 
1 1 1 31 6  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 6  25 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 6  26 o 34.54360 5.990463 13.92816       4.857854      21.14020       5.482708      6.708330       8.019674      43.82640 6.255029 25.26080 10.21847 18.56560       11.98093 
1 1 1 31 6  27 o 51.59589 5.458431 31.67488       5.135567      36.83949       5.844018      26.51026       8.444746      58.41671 5.002010 44.77507 9.703493 13.64163       10.91686 
1 1 1 31 6  28 o 42.42228 6.239593 23.60561       5.196494      27.74297       5.737751      19.46825       8.664365      49.59063 5.785117 35.25393 11.05724 14.33670       12.47919 
1 1 1 31 6  29 o 41.20144 6.172611 23.40725       5.173823      30.43509       5.814972      16.37940       8.558097      51.57213 5.637708 30.83076 10.98275 20.74137       12.34522 
1 1 1 31 7  0  o 40.89514 8.862655 19.13528       6.349853      19.13528       6.349853      19.13528       6.349853      40.89514 8.862655 40.89514 8.862655 0.000000       0.000000 
1 1 1 31 7  1  o 123.4940 3.020700 154.2299       7.389152      169.7450       9.762465      138.7149       11.08019      129.8430 3.759335 117.1450 4.729261 12.69798       6.041400 
1 1 1 31 7  2  f 29.54488 6.110703 6.625441       4.886900      15.91183       6.048761      -2.659528      7.679617      38.58392 8.096800 20.50583 9.154487 18.07809       12.22141 
1 1 1 31 7  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 7  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 7  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 7  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 7  7  o 24.49347 6.701760 4.243626       4.738834      5.064013       5.914155      3.422530       7.403321      24.47822 9.081927 24.50871 9.857634 -0.3048706E-01 13.40352 
1 1 1 31 7  8  o 103.4226 3.014295 108.0389       6.246420      106.2678       7.630026      109.8100       9.889987      102.6978 3.714797 104.1474 4.748072 -1.449654      6.028590 
1 1 1 31 7  9  o 47.20259 5.116567 23.62687       4.785592      17.30748       5.746252      29.93917       7.651280      40.41989 7.382361 53.98529 7.086449 -13.56540      10.23313 
1 1 1 31 7  10 o 93.72229 3.068658 88.76900       5.728541      91.17775       7.011548      86.36028       9.061099      95.12923 3.685275 92.31535 4.907688 2.813889       6.137317 
1 1 1 31 7  11 o 21.05186 6.198295 1.257502       4.401611      2.202577       5.283633      0.3125689      7.040594      20.60554 8.311146 21.49817 9.197841 -0.8926239     12.39659 
1 1 1 31 7  12 o 27.68959 6.407581 7.877984       4.339975      2.978331       5.105103      12.78047       7.020757      21.14161 8.293437 34.23756 9.769713 -13.09594      12.81516 
1 1 1 31 7  13 o 60.59196 4.025743 37.59754       4.932950      34.22531       5.763256      40.97685       8.005506      58.02129 4.966500 63.16263 6.337216 -5.141342      8.051487 
1 1 1 31 7  14 o 52.26360 4.837266 28.77731       5.027174      20.80014       6.457538      36.76156       7.707955      44.78039 7.210230 59.74681 6.450516 -14.96642      9.674533 
1 1 1 31 7  15 o 67.27468 3.847789 46.39651       5.092351      51.07937       6.320098      41.71364       7.984251      70.92645 4.455389 63.62291 6.274667 7.303539       7.695579 
1 1 1 31 7  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 7  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 7  18 o 98.62236 3.049395 98.97072       6.011921      98.82903       7.382068      99.18325       9.493254      98.75018 3.737749 98.49454 4.819178 0.2556305      6.098790 
1 1 1 31 7  19 o 24.99873 6.135404 5.277257       4.164988      9.542846       5.302053      1.012378       6.423533      29.29767 8.532593 20.69979 8.818594 8.597879       12.27081 
1 1 1 31 7  20 o 58.02573 4.268870 35.36591       4.794801      41.40192       6.028925      29.32282       7.459997      63.48211 4.748523 52.56934 7.095388 10.91277       8.537740 
1 1 1 31 7  21 o 49.58516 5.145245 27.09119       4.764338      32.90759       6.233667      21.26772       7.204955      56.04385 5.561420 43.12646 8.658220 12.91739       10.29049 
1 1 1 31 7  22 o 30.23154 7.212936 10.43549       5.355896      9.280719       5.685325      11.59027       9.075267      28.63851 8.951787 31.82456 11.31244 -3.186056      14.42587 
1 1 1 31 7  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 7  24 o 24.64557 6.965784 6.246420       5.348811      5.239709       5.679658      7.254546       9.068183      22.80703 8.788274 26.48411 10.80994 -3.677084      13.93157 
1 1 1 31 7  25 o 47.39304 6.303165 27.48793       5.734918      29.70539       6.638193      25.26339       9.351563      51.67999 6.422402 43.10608 10.84769 8.573917       12.60633 
1 1 1 31 7  26 o 18.93967 5.963765 -0.2041758     4.785592      1.625897       5.236167      -2.034673      8.012589      18.56316 7.936781 19.31618 8.903565 -0.7530212     11.92753 
1 1 1 31 7  27 o 15.38954 5.118792 -5.406904      4.393818      -0.7962998     4.880525      -10.01751      7.311223      15.88527 7.185726 14.89382 7.292013 0.9914589      10.23758 
1 1 1 31 7  28 o 19.72815 5.898941 3.371522       4.071473      0.4313762      5.034258      6.312305       6.400154      16.70703 7.436528 22.74926 9.159042 -6.042231      11.79788 
1 1 1 31 7  29 o 34.26437 5.962891 16.40066       4.418614      21.04102       5.658404      11.76030       6.788385      41.37445 6.838041 27.15429 9.770644 14.22017       11.92578 
1 1 1 31 8  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 8  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 8  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 8  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 8  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 8  5  o 34.02185 6.885932 12.80881       5.115022      7.573349       6.040968      18.03718       8.253463      27.53119 9.266059 40.51252 10.18844 -12.98134      13.77186 
1 1 1 31 8  6  o 32.25872 6.466231 10.46383       4.787717      15.30256       5.812847      5.627941       7.608772      37.78949 7.942724 26.72796 10.20596 11.06154       12.93246 
1 1 1 31 8  7  o 67.01973 3.919924 45.72348       5.292135      42.66296       6.398028      48.79107       8.430575      64.88738 4.930101 69.15207 6.095679 -4.264687      7.839848 
1 1 1 31 8  8  o 80.18945 3.673623 65.27675       5.871648      68.23808       7.814223      62.31542       8.763549      82.10258 4.758817 78.27631 5.597829 3.826263       7.347247 
1 1 1 31 8  9  o 40.44457 5.811490 17.60503       4.587225      15.30964       5.567723      19.90041       7.289969      37.89994 7.613279 42.98920 8.782462 -5.089260      11.62298 
1 1 1 31 8  10 o 106.1611 2.891186 113.7774       6.150779      111.6520       7.495420      115.9736       9.755382      105.2772 3.559848 107.0449 4.556676 -1.767693      5.782371 
1 1 1 31 8  11 o 58.27628 4.341388 34.96209       4.883358      40.65805       5.843310      29.26614       7.828392      63.34483 4.612302 53.20773 7.356443 10.13711       8.682775 
1 1 1 31 8  12 o 97.36348 3.047327 96.49113       5.795844      111.0852       7.374983      81.89703       8.940661      104.9672 3.512995 89.75979 4.980327 15.20738       6.094653 
1 1 1 31 8  13 o 34.58545 6.051121 12.41916       4.558179      17.56252       5.493335      7.282885       7.275800      41.26901 6.655521 27.90188 10.10783 13.36713       12.10224 
1 1 1 31 8  14 o 26.32100 6.536094 6.199661       4.477415      9.521592       6.068598      2.877731       6.584351      29.79862 9.235443 22.84339 9.251416 6.955238       13.07219 
1 1 1 31 8  15 o 54.20640 4.959547 31.27814       4.944285      38.45476       6.111105      24.10153       7.771716      61.37493 4.978503 47.03787 8.579216 14.33706       9.919094 
1 1 1 31 8  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 8  17 o 44.09786 5.249587 20.77889       4.550386      19.26280       5.664072      22.30206       7.119940      42.99514 6.586874 45.20058 8.175924 -2.205441      10.49917 
1 1 1 31 8  18 o 42.76916 5.529254 19.77289       4.599977      20.35382       5.685325      19.18487       7.233293      44.15857 6.437397 41.37975 8.991692 2.778816       11.05851 
1 1 1 31 8  19 o 43.21817 5.930931 21.21813       4.991043      32.97843       5.905654      9.457831       8.048012      56.54087 5.222465 29.89548 10.65034 26.64538       11.86186 
1 1 1 31 8  20 o 20.70745 5.965389 -1.092433      4.707662      5.849687       5.290009      -8.033843      7.792970      24.12630 8.630727 17.28859 8.237355 6.837706       11.93078 
1 1 1 31 8  21 o 38.10210 5.958691 16.06769       5.162488      27.70046       6.157863      4.435616       8.288886      51.21461 6.011822 24.98958 10.28990 26.22504       11.91738 
1 1 1 31 8  22 o 66.24535 4.656092 47.10496       6.099770      48.01178       6.626149      46.19814       10.24421      67.91789 4.878059 64.57281 7.932296 3.345078       9.312184 
1 1 1 31 8  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 8  24 o 61.38689 6.107176 43.84608       7.410406      46.39651       9.535762      41.29565       11.34940      64.31741 7.413048 58.45637 9.707581 5.861038       12.21435 
1 1 1 31 8  25 o 27.89409 6.994750 10.24421       5.071097      5.189409       5.377149      15.29548       8.600604      22.39295 8.571259 33.39522 11.05620 -11.00227      13.98950 
1 1 1 31 8  26 o 22.28473 6.045854 5.096602       4.010545      0.5865272      5.071806      9.606606       6.214540      17.34913 7.616337 27.22034 9.391528 -9.871208      12.09171 
1 1 1 31 8  27 o 20.75190 6.049760 4.130982       4.103353      4.035341       5.093768      4.227332       6.434159      20.21807 8.158139 21.28574 8.935499 -1.067677      12.09952 
1 1 1 31 8  28 f 28.88465 6.691654 12.20662       4.486625      9.925409       5.835517      14.48784       6.816014      26.52066 9.105400 31.24865 9.808394 -4.727983      13.38331 
1 1 1 31 9  0  o 24.89499 12.33401 9.549930       7.332476      9.549930       7.332476      9.549930       7.332476      24.89499 12.33401 24.89499 12.33401 0.000000       0.000000 
1 1 1 31 9  1  o 45.71069 6.115143 22.42250       5.408321      27.66504       7.523758      17.17996       7.771716      51.81795 7.259799 39.60342 9.842520 12.21453       12.23029 
1 1 1 31 9  2  o 62.58082 4.368280 40.39592       5.418239      48.28099       7.885069      32.51085       7.431659      68.84100 5.727015 56.32063 6.597635 12.52037       8.736560 
1 1 1 31 9  3  o 48.29857 5.509389 24.70371       5.124232      29.71955       7.360813      19.69496       7.134109      53.80662 6.840064 42.79052 8.638691 11.01610       11.01878 
1 1 1 31 9  4  o 89.46659 3.352596 81.04688       5.998462      81.33026       8.536844      80.76351       8.430575      89.61794 4.762911 89.31525 4.719562 0.3026886      6.705191 
1 1 1 31 9  5  o 36.99899 6.385333 14.85623       4.754420      18.46225       6.599228      11.25021       6.847187      41.54478 8.235102 32.45320 9.760790 9.091579       12.77067 
1 1 1 31 9  6  o 62.31496 4.113361 39.57412       5.116439      41.89075       7.183701      37.26456       7.289969      64.17931 5.596587 60.45060 6.029691 3.728703       8.226722 
1 1 1 31 9  7  o 67.93246 3.730395 46.97744       5.045594      51.95077       7.148279      42.00410       7.127024      71.59144 4.992412 64.27349 5.544296 7.317947       7.460791 
1 1 1 31 9  8  o 46.69131 5.121519 22.45084       4.779216      23.22305       6.723207      21.67154       6.794761      47.52929 7.072701 45.85333 7.409233 1.675953       10.24304 
1 1 1 31 9  9  o 26.98243 5.968426 5.751212       4.369730      -2.530590      6.092685      14.03443       6.265547      17.99981 8.091388 35.96504 8.775984 -17.96523      11.93685 
1 1 1 31 9  10 o 44.01805 4.968240 20.29714       4.215288      22.33040       5.555679      18.25680       6.342061      46.74257 5.942847 41.29354 7.963428 5.449028       9.936480 
1 1 1 31 9  11 o 27.30244 6.299010 6.183367       4.563138      10.52051       4.968372      1.846225       7.651280      31.19762 7.940495 23.40727 9.780523 7.790342       12.59802 
1 1 1 31 9  12 o 17.73511 5.610507 -3.329723      4.372564      0.2903944      4.964122      -6.949912      7.197870      18.18877 7.750704 17.28144 8.114044 0.9073219      11.22101 
1 1 1 31 9  13 f 68.60769 4.081005 48.47227       5.500420      55.65597       7.289969      41.28857       8.232210      73.94156 4.929548 63.27382 6.505226 10.66774       8.162010 
1 1 1 31 9  14 o 52.50845 4.646500 28.53644       4.847227      29.50702       5.870940      27.56586       7.715039      53.67418 5.469055 51.34274 7.513273 2.331440       9.292999 
1 1 1 31 9  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 9  16 o 70.13701 4.777885 52.02869       6.209579      64.53996       6.859938      39.51744       10.35048      79.59557 4.309247 60.67846 8.528958 18.91711       9.555770 
1 1 1 31 9  17 o 36.73623 6.113362 15.61428       4.641068      8.097604       5.577641      23.13095       7.417490      27.52878 8.900111 45.94368 8.383364 -18.41490      12.22672 
1 1 1 31 9  18 o 30.67308 6.767954 9.549930       5.127774      13.44641       5.758296      5.659113       8.487252      34.64864 8.387458 26.69751 10.62409 7.951132       13.53591 
1 1 1 31 9  19 o 65.89027 4.633777 46.27607       5.637859      58.21348       6.418573      34.33157       9.273635      75.46992 4.252405 56.31063 8.234355 19.15929       9.267553 
1 1 1 31 9  20 o 54.71268 4.820810 32.05036       5.226249      32.53210       5.751920      31.56861       8.728126      55.91031 5.143882 53.51505 8.154834 2.395260       9.641620 
1 1 1 31 9  21 o 22.31154 6.596406 2.817513       5.030716      2.199034       5.258129      3.435991       8.579351      19.98145 8.206209 24.64162 10.32998 -4.660175      13.19281 
1 1 1 31 9  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 9  23 f 22.29268 6.486194 4.613438       4.692076      2.201160       5.991377      7.025717       7.219123      19.79028 8.476571 24.79509 9.819909 -5.004812      12.97239 
1 1 1 31 9  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 9  25 o 22.98418 6.099839 4.264880       4.407987      -3.773214      5.489793      12.30581       6.898903      15.22443 7.137029 30.74394 9.894187 -15.51952      12.19968 
1 1 1 31 9  26 o 26.93419 6.392198 9.457831       4.274798      4.692076       5.411155      14.21863       6.619773      21.38036 8.490969 32.48801 9.557417 -11.10765      12.78440 
1 1 1 31 9  27 o 32.02806 6.321705 13.95650       4.347769      16.57777       5.759713      11.32814       6.514214      35.87911 8.201810 28.17700 9.622169 7.702110       12.64341 
1 1 1 31 9  28 o 17.53059 5.618683 0.4423573      4.307387      0.8373900      5.474916      0.4704120E-01  6.650945      17.21233 7.705619 17.84886 8.179354 -0.6365318     11.23737 
1 1 1 31 10 0  o 35.91872 10.62870 16.16687       6.631108      16.16687       6.631108      16.16687       6.631108      35.91872 10.62870 35.91872 10.62870 0.000000       0.000000 
1 1 1 31 10 1  o 27.30549 6.672427 6.882609       4.602811      10.39299       6.611272      3.372230       6.406529      31.31852 9.626025 23.29246 9.242553 8.026056       13.34485 
1 1 1 31 10 2  o 42.42072 5.726866 19.88624       4.699161      29.66288       6.736668      10.10961       6.553179      53.89154 6.250209 30.94990 9.598065 22.94164       11.45373 
1 1 1 31 10 3  o 54.68727 4.671838 30.92392       5.044177      24.66829       7.012255      37.17955       7.254546      48.98930 7.156926 60.38523 6.006888 -11.39593      9.343677 
1 1 1 31 10 4  o 79.84062 3.456093 64.78083       5.496878      72.26208       7.870899      57.30666       7.679617      84.51087 4.656738 75.17037 5.108141 9.340500       6.912186 
1 1 1 31 10 5  o 52.24895 4.561149 28.22472       4.701995      22.27372       6.522007      34.17571       6.774216      46.57601 7.001467 57.92190 5.847716 -11.34589      9.122298 
1 1 1 31 10 6  o 69.25866 3.708801 48.90443       5.110771      55.30175       7.297054      42.50711       7.155363      73.86683 4.939330 64.65049 5.533882 9.216339       7.417603 
1 1 1 31 10 7  o 39.82198 5.893024 17.08786       4.548261      18.99359       6.497211      15.17504       6.366147      42.18745 7.990642 37.45652 8.663752 4.730930       11.78605 
1 1 1 31 10 8  o 100.2707 2.977619 101.5920       5.971540      99.18325       8.345562      104.0716       8.543928      99.06443 4.212189 101.4769 4.209789 -2.412483      5.955239 
1 1 1 31 10 9  f 25.40807 6.477079 5.720748       4.283299      7.566265       5.929741      3.878065       6.181951      27.38585 9.180355 23.43029 9.139547 3.955559       12.95416 
1 1 1 31 10 10 o 50.73725 4.469525 26.42525       4.536217      26.29773       6.220206      26.55986       6.603478      50.64847 6.140567 50.82603 6.496158 -0.1775627     8.939051 
1 1 1 31 10 11 o 23.24169 6.082785 3.003835       4.225206      8.579351       5.845435      -2.570263      6.102604      28.56031 9.099072 17.92306 8.075145 10.63726       12.16557 
1 1 1 31 10 12 o 81.13205 3.380906 67.12581       5.470665      74.38744       7.863815      59.86417       7.608772      85.58483 4.594164 76.67927 4.961427 8.905563       6.761812 
1 1 1 31 10 13 o 39.34150 6.620100 17.13745       5.157529      16.30856       7.792970      17.96634       6.760755      38.16797 10.06412 40.51503 8.603284 -2.347057      13.24020 
1 1 1 31 10 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 10 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 10 16 f 49.05260 6.086324 26.25522       5.922657      22.58544       6.672198      29.92500       9.790804      46.39107 7.191254 51.71413 9.821365 -5.323059      12.17265 
1 1 1 31 10 17 o 16.03034 5.442591 -9.549930      5.057637      -13.38974      7.073891      -5.710830      7.233293      14.38547 7.082494 17.67521 8.265922 -3.289747      10.88518 
1 1 1 31 10 18 o 24.48171 6.724883 4.978999       4.731040      3.832724       6.291760      6.125983       7.066806      23.00621 9.149796 25.95721 9.857862 -2.951006      13.44977 
1 1 1 31 10 19 o 22.05693 6.409702 2.697076       4.626898      -0.2247917     6.048761      5.618731       7.003754      19.02288 8.334571 25.09098 9.740230 -6.068106      12.81940 
1 1 1 31 10 20 o 31.49452 7.112358 11.74613       5.122107      8.671450       6.475249      14.82081       7.941744      27.92165 9.591029 35.06738 10.50499 -7.145731      14.22472 
1 1 1 31 10 21 o 24.98585 6.789314 1.142733       6.074266      -8.954830      9.953747      11.24313       6.963373      19.34922 9.241720 30.62248 9.948355 -11.27326      13.57863 
1 1 1 31 10 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 10 23 o 17.31766 5.659039 -3.458662      4.672948      -5.090934      6.952746      -1.825680      6.245002      16.91728 7.950675 17.71804 8.055165 -0.8007622     11.31808 
1 1 1 31 10 24 o 20.84544 6.226773 2.612062       4.536217      5.314805       6.781301      -0.9061097E-01 6.026091      23.37604 9.421016 18.31484 8.144647 5.061205       12.45355 
1 1 1 31 10 25 o 71.77151 3.862523 56.09521       5.547885      57.41294       8.324308      54.78458       7.339560      72.28705 5.757815 71.25599 5.150136 1.031059       7.725046 
1 1 1 31 10 26 f 20.35492 6.028029 3.120022       4.245043      1.091724       6.383859      5.148319       5.597477      18.95709 8.411508 21.75275 8.636844 -2.795664      12.05606 
1 1 1 31 10 27 o 25.89696 5.890479 7.082392       4.510004      -2.162903      6.686368      16.32981       6.054429      16.96017 7.937379 34.83375 8.705688 -17.87358      11.78096 
1 1 1 31 10 28 o 24.97554 6.777536 9.606606       4.956328      6.106146       7.071057      13.11344       6.946370      21.68736 9.246264 28.26373 9.911942 -6.576370      13.55507 
1 1 1 31 11 0  o 30.05688 11.50411 12.57502       6.496503      12.57502       6.496503      12.57502       6.496503      30.05688 11.50411 30.05688 11.50411 0.000000       0.000000 
1 1 1 31 11 1  o 48.09767 4.867734 23.83232       4.656654      20.65137       6.514922      27.02035       6.654488      44.80030 7.271070 51.39504 6.473862 -6.594746      9.735469 
1 1 1 31 11 2  o 69.55450 3.930147 49.32950       5.483417      54.36659       8.232210      44.29241       7.240376      73.09970 5.630810 66.00931 5.484361 7.090393       7.860295 
1 1 1 31 11 3  f 39.59015 6.071760 16.96033       4.685700      19.61703       6.750128      14.30364       6.500045      42.86337 8.167574 36.31693 8.986423 6.546444       12.14352 
1 1 1 31 11 4  o 99.43298 3.000281 100.2459       5.958787      87.42295       8.104689      113.1397       8.735210      93.00468 4.357141 105.8613 4.125782 -12.85660      6.000563 
1 1 1 31 11 5  o 34.69491 6.384199 13.10636       4.518506      10.32923       6.130942      15.89057       6.638901      31.09437 9.212811 38.29544 8.840592 -7.201075      12.76840 
1 1 1 31 11 6  o 27.75885 6.613601 7.630026       4.415071      5.332517       6.070015      9.932493       6.413614      24.90159 9.208426 30.61612 9.495461 -5.714529      13.22720 
1 1 1 31 11 7  o 28.59813 6.163973 7.920490       4.339975      1.428239       5.936826      14.40991       6.332142      20.79831 8.648011 36.39794 8.785793 -15.59962      12.32795 
1 1 1 31 11 8  o 72.54587 3.578740 53.51645       5.193660      54.75624       7.417490      52.26957       7.268716      73.39056 5.053437 71.70118 5.068756 1.689377       7.157479 
1 1 1 31 11 9  o 56.79475 4.184010 33.10595       4.748752      29.83290       6.514214      36.37191       6.911656      53.95626 6.036569 59.63325 5.795135 -5.676991      8.368020 
1 1 1 31 11 10 o 22.65930 6.507784 2.432115       4.721831      -0.6662281     6.094102      5.530883       7.212039      19.25297 8.401051 26.06562 9.941195 -6.812651      13.01557 
1 1 1 31 11 11 o 83.37744 3.317794 70.72474       5.536551      66.55196       7.573349      74.88335       8.076350      80.92323 4.679342 85.83167 4.704762 -4.908440      6.635588 
1 1 1 31 11 12 o 84.58725 3.360520 72.89968       5.669031      76.93786       7.771716      68.86151       8.253463      87.02007 4.465474 82.15444 5.023139 4.865623       6.721040 
1 1 1 31 11 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 11 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 11 15 o 33.09261 7.165347 12.58919       5.479167      6.065764       6.200370      19.11403       9.039845      25.45983 9.320342 40.72538 10.88577 -15.26556      14.33069 
1 1 1 31 11 16 o 62.11819 4.420243 40.25423       5.508921      37.81715       7.190785      42.69130       8.345562      60.35126 5.957445 63.88511 6.531696 -3.533848      8.840487 
1 1 1 31 11 17 o 66.67119 4.955704 47.87717       6.722499      60.72141       10.93141      35.03294       7.828392      75.67183 7.222907 57.67054 6.787168 18.00129       9.911408 
1 1 1 31 11 18 o 38.88480 6.666164 17.48459       5.140526      18.92275       7.233293      16.05352       7.304138      40.65052 9.122129 37.11908 9.723051 3.531441       13.33233 
1 1 1 31 11 19 o 65.05162 4.214368 44.67497       5.486251      45.34092       8.274716      44.00903       7.204955      65.31426 6.334541 64.78899 5.560324 0.5252762      8.428737 
1 1 1 31 11 20 o 24.50637 6.919183 3.812888       5.401237      8.267632       7.467082      -0.6412197     7.800055      27.97967 10.22961 21.03307 9.319626 6.946600       13.83837 
1 1 1 31 11 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 11 22 o 26.78597 7.052022 8.048012       5.298511      5.829141       8.345562      10.26547       6.533343      24.90931 10.29884 28.66264 9.636281 -3.753332      14.10404 
1 1 1 31 11 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 11 24 o 50.09536 5.103538 28.84107       5.121398      34.71414       7.842561      22.96092       6.589310      55.36472 7.082634 44.82599 7.349876 10.53873       10.20708 
1 1 1 31 11 25 o 17.08783 5.509647 -1.219954      4.188367      -1.885190      6.186910      -0.5541510     5.647069      17.01643 7.835942 17.15922 7.747444 -0.1427898     11.01929 
1 1 1 31 11 26 o 17.32049 5.551799 -0.2362686     4.170656      0.5278674      6.156446      -1.000334      5.629357      18.10781 8.137126 16.53318 7.554936 1.574627       11.10360 
1 1 1 31 11 27 o 20.55850 6.121989 4.421447       4.298177      3.820680       6.117482      5.022215       6.039551      20.06514 8.578849 21.05187 8.736037 -0.9867306     12.24398 
1 1 1 31 12 0  o 32.35124 11.12205 13.91399       6.461080      13.91399       6.461080      13.91399       6.461080      32.35124 11.12205 32.35124 11.12205 0.000000       0.000000 
1 1 1 31 12 1  o 61.98754 3.947198 39.15613       4.893277      41.35233       7.049096      36.95993       6.787676      63.73767 5.529772 60.23741 5.634103 3.500256       7.894396 
1 1 1 31 12 2  o 42.87000 5.593165 20.09169       4.588642      11.97283       6.368981      28.20346       6.608438      33.24428 9.247499 52.49572 6.294264 -19.25143      11.18633 
1 1 1 31 12 3  o 86.69084 3.270828 76.08772       5.671865      75.02505       7.998421      77.22124       8.040927      86.06046 4.646978 87.32123 4.604223 -1.260773      6.541657 
1 1 1 31 12 4  o 61.20923 4.103438 38.75231       4.966247      47.74965       7.311223      29.76206       6.723207      68.50420 5.336332 53.91426 6.235092 14.58995       8.206876 
1 1 1 31 12 5  f 29.02530 6.648686 8.671450       4.461121      10.42133       6.273340      6.915907       6.344894      31.17047 9.336349 26.88012 9.468510 4.290350       13.29737 
1 1 1 31 12 6  o 28.40483 6.474361 7.821308       4.496543      12.56793       6.351271      3.081765       6.366147      33.94302 9.147919 22.86663 9.164334 11.07639       12.94872 
1 1 1 31 12 7  o 57.75921 4.465477 34.46618       5.163197      29.13862       6.816014      39.78665       7.757547      53.25045 6.399960 62.26797 6.229163 -9.017525      8.930955 
1 1 1 31 12 8  o 29.92996 6.610151 9.330310       4.522757      12.20662       6.254921      6.451162       6.534760      33.41398 9.111080 26.44594 9.579383 6.968042       13.22030 
1 1 1 31 12 9  o 38.97943 5.845386 16.81865       4.745210      27.21872       6.660155      6.418573       6.760046      51.39678 6.479156 26.56207 9.731118 24.83470       11.69077 
1 1 1 31 12 10 o 52.82121 5.439096 30.33591       5.220581      40.61554       6.968331      20.05627       7.771716      63.00206 5.530241 42.64036 9.367577 20.36170       10.87819 
1 1 1 31 12 11 o 37.23517 6.669930 15.23171       5.165322      19.31948       6.512797      11.15103       8.019674      42.25096 7.998063 32.21938 10.67628 10.03157       13.33986 
1 1 1 31 12 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 12 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 12 14 o 73.66917 4.180137 56.08813       6.154321      56.82492       8.409323      55.34425       8.990252      74.25357 5.662571 73.08478 6.150565 1.168793       8.360273 
1 1 1 31 12 15 o 78.62869 4.874323 65.00753       7.707955      61.78408       8.657280      68.23100       12.75922      77.32275 5.598145 79.93463 7.981032 -2.611877      9.748646 
1 1 1 31 12 16 o 32.77240 6.507004 12.20662       4.780632      18.85899       7.247461      5.554970       6.235084      40.82828 9.109488 24.71652 9.294172 16.11176       13.01401 
1 1 1 31 12 17 o 31.54633 7.387282 11.61152       5.554970      15.54343       9.202788      7.679617       6.223749      36.12833 11.40742 26.96433 9.389276 9.164000       14.77456 
1 1 1 31 12 18 o 33.02942 6.460290 12.48292       4.739542      7.275800       7.056180      17.69713       6.328599      26.63053 9.912206 39.42831 8.287918 -12.79778      12.92058 
1 1 1 31 12 19 o 21.39869 6.455101 1.516795       4.883358      1.980831       7.396237      1.053468       6.380316      22.36202 9.492723 20.43536 8.749945 1.926662       12.91020 
1 1 1 31 12 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 12 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 12 22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 12 23 f 53.40403 4.712149 32.09286       4.997419      39.26240       7.488335      24.92334       6.624732      59.75474 6.265893 47.05332 7.039602 12.70142       9.424298 
1 1 1 31 12 24 o 30.23868 6.029775 11.27147       4.442701      3.596101       6.374650      18.95109       6.189743      21.17087 8.890994 39.30648 8.147573 -18.13561      12.05955 
1 1 1 31 12 25 o 41.68159 5.744784 21.74238       4.614146      20.89224       6.638901      22.59253       6.410780      40.47588 8.474221 42.88731 7.758720 -2.411438      11.48957 
1 1 1 31 12 26 o 46.66193 5.497099 27.50210       5.070390      32.53919       7.920490      22.46501       6.336393      51.13580 7.744565 42.18806 7.803468 8.947742       10.99420 
1 1 1 31 12 27 o 14.60603 4.968923 -6.235084      4.450494      -11.39899      6.643153      -1.071888      5.923365      13.01432 6.475983 16.19774 7.538065 -3.183422      9.937846 
1 1 1 31 13 0  o 74.34942 5.079213 56.49903       7.481250      56.49903       7.481250      56.49903       7.481250      74.34942 5.079213 74.34942 5.079213 0.000000       0.000000 
1 1 1 31 13 1  o 45.77182 5.087318 21.65737       4.656654      22.20288       6.643860      21.10478       6.527675      46.35810 7.165804 45.18554 7.223191 1.172562       10.17464 
1 1 1 31 13 2  o 29.86695 6.669466 9.415324       4.458287      9.989170       6.281133      8.834394       6.329308      30.58123 9.379189 29.15268 9.484615 1.428553       13.33893 
1 1 1 31 13 3  o 25.58256 6.573112 5.767506       4.416489      3.705911       6.223041      7.828392       6.269090      23.28223 9.149917 27.88290 9.439400 -4.600668      13.14622 
1 1 1 31 13 4  o 74.42726 3.567807 56.34317       5.307721      57.17206       7.353730      55.51429       7.658363      75.00988 4.901841 73.84465 5.185456 1.165230       7.135614 
1 1 1 31 13 5  o 27.79550 6.357213 7.247461       4.424990      12.50417       6.203912      1.983665       6.311597      33.82574 9.007376 21.76526 8.973508 12.06048       12.71443 
1 1 1 31 13 6  f 78.49004 3.502362 62.82551       5.496169      56.57696       7.502505      69.06696       8.033843      74.55798 5.031322 82.42210 4.873598 -7.864120      7.004725 
1 1 1 31 13 7  o 33.20607 6.601481 12.05077       4.580141      12.85840       6.286801      11.25021       6.662281      34.23721 9.044778 32.17493 9.618224 2.062283       13.20296 
1 1 1 31 13 8  o 83.63097 3.774069 71.48279       6.339226      67.40919       7.991336      75.59180       9.847479      81.37054 4.910460 85.89141 5.732517 -4.520874      7.548137 
1 1 1 31 13 9  o 17.03405 5.663691 -7.105771      4.941452      -12.05077      6.176991      -2.167154      7.715039      13.48016 6.630823 20.58793 9.183778 -7.107763      11.32738 
1 1 1 31 13 10 o 60.26521 5.341555 38.51852       6.305221      46.63738       8.834394      30.39967       8.997337      67.02757 6.590120 53.50285 8.408279 13.52472       10.68311 
1 1 1 31 13 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 13 12 o 34.12470 8.354928 13.36848       7.630026      24.61870       13.12053      2.122522       7.792970      44.86287 13.51522 23.38654 9.826393 21.47633       16.70986 
1 1 1 31 13 13 o 15.61336 5.338135 -10.57718      5.073932      -12.01534      7.226208      -9.131943      7.127024      15.14673 7.381286 16.07999 7.713583 -0.9332609     10.67627 
1 1 1 31 13 14 f 31.72315 6.323566 10.52759       5.022215      20.85682       7.587519      0.1963120      6.577267      43.11067 9.084503 20.33563 8.798964 22.77504       12.64713 
1 1 1 31 13 15 o 28.25277 6.922724 8.465999       4.794094      9.712874       7.091603      7.219123       6.453288      29.80795 10.03955 26.69759 9.534357 3.110365       13.84545 
1 1 1 31 13 16 o 68.39236 4.043300 48.75565       5.546469      51.93660       8.388069      45.57470       7.261631      70.51524 5.947700 66.26949 5.478864 4.245743       8.086599 
1 1 1 31 13 17 o 40.93060 6.176792 19.22029       5.015130      13.63061       7.516674      24.80998       6.644569      33.78280 10.24016 48.07838 6.910142 -14.29558      12.35358 
1 1 1 31 13 18 o 22.14354 6.515788 2.414403       4.841560      1.040716       7.382068      3.787383       6.266964      21.63553 9.341054 22.65156 9.086620 -1.016024      13.03158 
1 1 1 31 13 19 o 52.58269 5.290888 31.40567       5.535134      36.35775       8.069265      26.45359       7.573349      57.07746 7.068697 48.08791 7.874484 8.989544       10.58178 
1 1 1 31 13 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 13 21 o 20.88665 6.326300 1.961703       4.720414      2.105519       6.761464      1.817887       6.587893      21.08976 9.018081 20.68355 8.874824 0.4062099      12.65260 
1 1 1 31 13 22 o 25.98912 6.526457 7.693786       4.585100      12.78047       6.696995      2.614187       6.264839      31.38875 9.696492 20.58948 8.738228 10.79927       13.05291 
1 1 1 31 13 23 o 20.34327 5.979730 -0.8912323E-01 4.666572      9.719957       7.197870      -9.897071      5.938951      27.50059 10.04458 13.18595 6.491150 14.31464       11.95946 
1 1 1 31 13 24 o 48.44317 5.227293 27.84924       5.082433      31.92992       7.729208      23.76147       6.601354      51.97182 7.435962 44.91452 7.348797 7.057297       10.45459 
1 1 1 31 13 25 o 28.78848 6.831427 11.88074       4.718997      10.98100       7.155363      12.78047       6.159280      27.40196 10.01426 30.17500 9.294524 -2.773043      13.66285 
1 1 1 31 13 26 o 14.50037 4.946778 -6.777758      4.473873      -11.12978      6.736668      -2.425739      5.890069      13.35094 6.626557 15.64979 7.346509 -2.298858      9.893557 
1 1 1 31 14 0  o 87.21247 4.683107 77.29209       8.118857      77.29209       8.118857      77.29209       8.118857      87.21247 4.683107 87.21247 4.683107 0.000000       0.000000 
1 1 1 31 14 1  o 55.67885 4.497263 31.88741       5.007337      33.10595       7.155363      30.67596       7.006588      56.75336 6.303911 54.60434 6.415780 2.149025       8.994527 
1 1 1 31 14 2  o 75.98305 3.585158 58.92194       5.446577      64.72416       7.948828      53.11971       7.445828      79.75624 4.983202 72.20985 5.155688 7.546394       7.170315 
1 1 1 31 14 3  o 70.86615 3.659874 51.17855       5.185867      51.97910       7.424574      50.38509       7.247461      71.41215 5.198398 70.32014 5.153190 1.092003       7.319748 
1 1 1 31 14 4  o 50.94961 4.774301 26.82907       4.861396      25.73805       6.891819      27.91300       6.857813      49.87825 6.908641 52.02097 6.591394 -2.142715      9.548602 
1 1 1 31 14 5  o 17.96822 5.897123 -5.907779      5.131316      -3.246126      6.950621      -8.572267      7.552096      18.84249 8.546598 17.09394 8.127724 1.748550       11.79425 
1 1 1 31 14 6  o 22.35804 6.653179 0.9075267      5.190118      -2.937241      6.861355      4.753003       7.792970      18.87449 8.529921 25.84160 10.21272 -6.967112      13.30636 
1 1 1 31 14 7  f 23.40729 6.782380 1.875272       5.293552      -2.777131      7.155363      6.527675       7.800055      19.39341 8.740440 27.42117 10.37340 -8.027761      13.56476 
1 1 1 31 14 8  o 74.17090 4.418889 56.90285       6.539719      59.77916       9.068183      54.02653       9.429493      76.15858 5.953488 72.18321 6.531639 3.975365       8.837778 
1 1 1 31 14 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 14 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 14 11 o 56.74125 5.037264 34.43784       5.646361      44.05153       8.508506      24.82415       7.424574      65.02712 6.542275 48.45538 7.661249 16.57174       10.07453 
1 1 1 31 14 12 o 82.57249 3.757193 70.08714       6.181242      66.59447       9.160281      73.60814       8.303054      80.33816 5.701078 84.80684 4.895274 -4.468681      7.514386 
1 1 1 31 14 13 o 27.51404 6.338416 6.053012       4.850060      -2.216746      7.148279      14.32489       6.556013      19.47466 8.758803 35.55343 9.164356 -16.07877      12.67683 
1 1 1 31 14 14 o 88.63268 3.652578 81.25941       6.408655      91.17775       8.784801      71.34109       9.337394      94.30965 4.657424 82.95570 5.627940 11.35396       7.305156 
1 1 1 31 14 15 o 35.04729 6.470311 14.13361       4.682158      17.91675       6.684242      10.35048       6.558846      39.82106 8.635673 30.27353 9.637680 9.547531       12.94062 
1 1 1 31 14 16 o 37.98901 6.367702 16.76905       4.770715      17.13745       6.735959      16.40066       6.756505      38.46398 8.921703 37.51403 9.088111 0.9499435      12.73540 
1 1 1 31 14 17 o 30.14249 6.789398 10.02459       4.942868      4.857854       7.000920      15.18212       6.978250      24.33122 9.659575 35.95375 9.543391 -11.62253      13.57880 
1 1 1 31 14 18 o 55.98495 5.957751 36.52777       6.850729      45.58179       11.42733      27.48084       7.559181      62.39889 9.156675 49.57101 7.624597 12.82787       11.91550 
1 1 1 31 14 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 14 20 o 18.68046 5.890880 -3.295718      4.856437      4.305262       7.059014      -10.89599      6.672907      23.16128 9.509518 14.19963 6.955495 8.961650       11.78176 
1 1 1 31 14 21 o 48.38803 5.982002 28.40183       5.637859      23.00343       7.587519      33.80024       8.345562      42.86358 9.123108 53.91249 7.739915 -11.04891      11.96400 
1 1 1 31 14 22 f 61.18145 4.886640 42.51419       5.931159      34.52994       8.076350      50.49844       8.685618      54.93480 7.350851 67.42811 6.440652 -12.49331      9.773280 
1 1 1 31 14 23 o 16.38552 5.388379 -4.684991      4.458995      2.213203       6.619773      -11.58319      5.975082      20.18217 8.781229 12.58887 6.247283 7.593295       10.77676 
1 1 1 31 14 24 o 39.21554 6.539366 20.85682       5.072515      23.15220       7.743378      18.56852       6.556721      41.05122 9.594241 37.37986 8.888407 3.671364       13.07873 
1 1 1 31 14 25 o 49.71724 6.545337 35.28798       6.330725      52.64505       7.757547      17.93091       10.00334      67.99320 5.704648 31.44129 11.78231 36.55192       13.09067 
1 1 1 31 15 0  o 20.75671 11.92666 6.142277       7.764632      6.142277       7.764632      6.142277       7.764632      20.75671 11.92666 20.75671 11.92666 0.000000       0.000000 
1 1 1 31 15 1  o 46.85603 6.339131 23.95275       5.723582      24.48409       8.097604      23.42141       8.090520      47.42347 8.866338 46.28860 9.062360 1.134876       12.67826 
1 1 1 31 15 2  o 44.17077 6.476695 21.37399       5.652737      16.23063       7.757547      26.52443       8.225125      38.12691 10.03567 50.21463 8.189968 -12.08773      12.95339 
1 1 1 31 15 3  o 38.29176 6.727000 16.37232       5.355187      22.93967       7.594603      9.804973       7.552096      45.94659 8.583273 30.63693 10.36038 15.30965       13.45400 
1 1 1 31 15 4  o 41.32340 6.890858 19.19904       5.650611      14.99793       7.566265      23.40016       8.395153      36.62364 10.03606 46.02316 9.445271 -9.399525      13.78172 
1 1 1 31 15 5  o 41.40057 7.293013 19.34782       6.089851      15.81973       8.912323      22.87591       8.295970      37.38203 11.11424 45.41909 9.445938 -8.037060      14.58603 
1 1 1 31 15 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 15 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 15 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 15 9  o 62.14888 4.852111 40.43134       6.032466      41.39484       8.706873      39.46076       8.352647      62.86684 6.924853 61.43092 6.798406 1.435921       9.704222 
1 1 1 31 15 10 o 22.45641 6.462892 2.685032       4.602811      4.349185       6.500753      1.020171       6.517048      23.92517 9.364118 20.98764 8.910060 2.937532       12.92578 
1 1 1 31 15 11 o 28.34163 7.157722 8.232210       5.222707      11.36357       8.161365      5.100144       6.519882      32.09422 10.77018 24.58904 9.430542 7.505184       14.31544 
1 1 1 31 15 12 o 25.84822 6.550713 5.831975       4.653111      0.7162447      6.456121      10.94558       6.702662      20.50497 8.791485 31.19147 9.713761 -10.68650      13.10143 
1 1 1 31 15 13 o 58.59925 4.360403 36.21606       5.047719      43.57687       7.289969      28.85524       6.982501      64.82515 5.622794 52.37335 6.666082 12.45180       8.720806 
1 1 1 31 15 14 o 29.37844 6.509633 7.119940       5.356604      16.58486       6.774924      -2.339308      8.295970      38.01460 9.032393 20.74228 9.376414 17.27232       13.01927 
1 1 1 31 15 15 o 64.97591 4.230464 44.58995       5.494752      46.11312       7.792970      43.05970       7.750463      66.14083 5.891195 63.81099 6.072985 2.329845       8.460929 
1 1 1 31 15 16 o 17.49881 5.738433 -4.844393      4.854311      -7.792970      6.953454      -1.898651      6.774924      16.10850 7.701115 18.88912 8.509481 -2.780621      11.47687 
1 1 1 31 15 17 o 98.46593 3.584860 102.5130       7.059722      110.8727       10.27963      94.08241       9.677451      102.5650 5.011280 94.36687 5.127568 8.198105       7.169719 
1 1 1 31 15 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 15 19 o 40.77054 6.834431 20.65845       5.562763      16.66279       8.154280      24.65412       7.566265      35.88499 10.62330 45.65609 8.601355 -9.771095      13.66886 
1 1 1 31 15 20 o 45.52479 14.34809 34.87708       14.56577      34.87708       14.56577      ?              ?             45.52479 14.34809 ?        ?        ?              ?        
1 1 1 31 15 21 o 28.71574 7.070041 10.22296       5.207829      14.07694       7.233293      6.365439       7.495420      32.72765 10.07062 24.70382 9.925952 8.023836       14.14008 
1 1 1 31 15 22 o 36.52981 6.556478 17.64045       5.000961      12.52543       7.275800      22.75547       6.859231      30.10028 10.16910 42.95934 8.278831 -12.85906      13.11296 
1 1 1 31 15 23 o 20.87350 6.415229 3.142692       5.068973      2.906778       8.048012      3.379315       6.163530      21.37515 9.469485 20.37185 8.657337 1.003300       12.83046 
1 1 1 31 15 24 o 30.02646 6.252991 11.87365       4.896110      3.751961       7.417490      19.98542       6.394486      21.06512 9.229425 38.98779 8.439034 -17.92267      12.50598 
1 1 1 31 15 25 o 24.25414 6.874495 9.110690       5.170990      8.869816       8.026759      9.351563       6.521298      23.87782 9.999952 24.63047 9.435870 -0.7526455     13.74899 
1 1 1 31 16 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 16 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 16 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 16 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 16 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 16 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 16 6  o 30.34537 7.473848 8.990252       5.895736      13.59519       7.920490      4.376107       8.735210      34.60160 10.51628 26.08914 10.62268 8.512463       14.94770 
1 1 1 31 16 7  o 41.87149 6.315038 19.48951       5.134858      21.18271       6.957705      17.79631       7.552096      44.02156 8.208202 39.72143 9.599178 4.300129       12.63008 
1 1 1 31 16 8  o 50.45963 5.519224 26.97076       5.579766      25.76639       7.445828      28.17513       8.310139      49.42864 7.531897 51.49063 8.069566 -2.061989      11.03845 
1 1 1 31 16 9  o 54.97252 5.168167 32.03619       5.549303      36.81115       7.197870      27.26122       8.451830      59.54831 6.043724 50.39672 8.385297 9.151581       10.33633 
1 1 1 31 16 10 o 39.23682 6.631816 18.16470       5.387067      9.670367       6.647403      26.65904       8.480167      29.65354 9.720037 48.82009 9.024677 -19.16655      13.26363 
1 1 1 31 16 11 o 42.70383 6.259762 20.48134       5.173823      21.45900       7.325392      19.49659       7.304138      43.85561 8.659959 41.55206 9.041216 2.303555       12.51952 
1 1 1 31 16 12 o 45.93042 5.611654 23.04594       5.037800      25.01543       7.197870      21.07644       7.046970      48.38793 7.437672 43.47292 8.404979 4.915012       11.22331 
1 1 1 31 16 13 o 53.75753 4.966903 30.98060       5.338184      31.13646       7.559181      30.82474       7.545012      53.89886 7.012374 53.61620 7.036130 0.2826614      9.933806 
1 1 1 31 16 14 o 23.89783 6.571754 4.277632       4.766464      8.501422       6.784843      0.5488376E-01  6.696286      27.78278 9.790790 20.01287 8.768823 7.769911       13.14351 
1 1 1 31 16 15 o 37.97604 6.706189 17.03118       5.351645      9.882903       7.509589      24.17237       7.630026      29.70448 10.31654 46.24760 8.570930 -16.54312      13.41238 
1 1 1 31 16 16 o 31.03950 9.440291 12.03660       11.82406      3.997793       19.13528      20.07044       13.88566      27.74717 13.08387 34.33183 13.61208 -6.584656      18.88058 
1 1 1 31 16 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 16 18 o 19.22734 6.207466 -2.052385      5.324015      -1.528130      7.991336      -2.576639      7.037760      20.09148 9.128303 18.36320 8.414549 1.728279       12.41493 
1 1 1 31 16 19 o 27.98105 12.22455 0.000000       0.000000      ?              ?             8.444746       12.93633      ?        ?        27.98105 12.22455 ?              ?        
1 1 1 31 16 20 o 23.08371 6.792759 4.512129       5.249628      4.559595       8.281801      4.465372       6.449036      23.76571 10.06454 22.40171 9.125319 1.364000       13.58552 
1 1 1 31 16 21 o 34.45579 7.254230 16.49984       5.487668      13.34015       7.856731      19.65245       7.665448      30.74977 10.56450 38.16180 9.944181 -7.412035      14.50846 
1 1 1 31 16 22 o 26.05200 6.913926 9.252379       4.953495      12.57502       7.715039      5.931159       6.210997      29.34593 10.43038 22.75807 9.078360 6.587858       13.82785 
1 1 1 31 16 23 o 25.41047 6.810956 8.501422       5.122815      5.837643       8.118857      11.15812       6.248545      22.88022 9.835968 27.94071 9.423916 -5.060486      13.62191 
1 1 1 31 16 24 f 29.70589 6.705385 13.26930       5.033550      8.657280       7.778800      17.88132       6.388818      24.02803 9.939247 35.38375 9.003340 -11.35572      13.41077 
1 1 1 31 17 0  o 39.77659 12.42503 20.74347       8.643111      20.74347       8.643111      20.74347       8.643111      39.77659 12.42503 39.77659 12.42503 0.000000       0.000000 
1 1 1 31 17 1  o 53.05305 6.779405 31.12229       6.988169      32.95718       9.181536      29.28031       10.54176      55.56706 8.261672 50.53904 10.75110 5.028023       13.55881 
1 1 1 31 17 2  o 23.82196 6.952403 1.891566       5.628649      7.034926       8.295970      -3.251085      7.608772      28.00330 10.66738 19.64063 8.919110 8.362671       13.90481 
1 1 1 31 17 3  o 68.55080 4.672564 48.97527       6.402279      47.68589       9.216957      50.26465       8.883986      67.55741 6.821574 69.54420 6.387295 -1.986786      9.345127 
1 1 1 31 17 4  o 24.37294 6.995760 2.895442       5.520965      -1.288674      7.644195      7.078850       7.970083      20.89697 9.246913 27.84890 10.50034 -6.951933      13.99152 
1 1 1 31 17 5  o 110.5289 3.658495 125.3960       8.083434      132.3388       11.66112      118.5240       11.20771      113.5967 5.132683 107.4610 5.214779 6.135704       7.316991 
1 1 1 31 17 6  o 23.67873 6.873034 2.705577       5.315514      4.989626       7.091603      0.4212454      7.920490      25.04891 9.785222 22.30855 9.654214 2.740366       13.74607 
1 1 1 31 17 7  o 56.35514 5.030322 33.64437       5.694535      29.83999       7.382068      37.44168       8.671450      53.23561 6.933392 59.47467 7.290037 -6.239056      10.06064 
1 1 1 31 17 8  o 65.97263 4.790128 45.87934       6.359063      43.20139       7.580434      48.55020       10.20879      64.45615 5.880303 67.48910 7.563289 -3.032944      9.580256 
1 1 1 31 17 9  o 39.16209 6.877881 17.57669       5.421073      17.90258       6.713289      17.24372       8.515590      39.95606 8.645307 38.36811 10.69952 1.587952       13.75576 
1 1 1 31 17 10 o 19.16454 6.138147 -2.771463      5.119981      -1.916362      6.565931      -3.626565      7.856731      18.74054 8.412920 19.58854 8.940367 -0.8479919     12.27629 
1 1 1 31 17 11 o 26.58108 6.853854 5.727833       5.260962      11.28564       6.788385      0.1688949      8.040927      31.26623 9.783435 21.89594 9.601336 9.370296       13.70771 
1 1 1 31 17 12 o 82.72818 3.991830 71.83701       6.607021      71.27025       8.862731      72.40377       9.797889      82.59092 5.365440 82.86543 5.911927 -0.2745132     7.983660 
1 1 1 31 17 13 o 20.57061 6.409306 -3.281549      5.615897      4.571640       7.856731      -11.13686      8.026759      24.78777 10.08055 16.35345 7.918287 8.434313       12.81861 
1 1 1 31 17 14 o 27.34180 7.443142 7.275800       5.776716      8.650196       7.977167      5.905654       8.352647      28.46060 10.55001 26.22299 10.50232 2.237612       14.88628 
1 1 1 31 17 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 17 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 17 17 o 29.46588 7.697192 9.889987       6.481626      17.99467       9.840395      1.779631       8.437660      36.41247 11.82627 22.51929 9.855276 13.89317       15.39438 
1 1 1 31 17 18 o 36.91974 8.517461 19.92875       7.807138      17.40666       12.75213      22.45084       9.004422      33.36890 13.10312 40.47059 10.88563 -7.101692      17.03492 
1 1 1 31 17 19 o 20.83842 6.654380 0.4355561E-02  5.935409      1.648567       9.216957      -1.639357      7.474166      22.58257 10.05674 19.09427 8.716940 3.488302       13.30876 
1 1 1 31 17 20 o 20.52864 6.453734 1.405568       5.324015      0.7885069      7.665448      2.022630       7.389152      20.25480 9.091445 20.80247 9.162334 -0.5476799     12.90747 
1 1 1 31 17 21 o 20.11443 6.280471 1.460828       5.074640      -1.588349      7.289969      4.510004       7.060431      18.26249 8.446280 21.96638 9.297184 -3.703894      12.56094 
1 1 1 31 17 22 o 22.73375 6.177050 3.895777       4.780632      12.19245       6.441952      -4.400903      7.066098      29.08842 9.568645 16.37909 7.814397 12.70933       12.35410 
1 1 1 31 17 23 o 21.44356 6.438842 4.788426       5.042760      -1.481373      6.411489      11.05893       7.785885      16.69331 7.797199 26.19381 10.24883 -9.500504      12.87768 
1 1 1 31 18 0  o 46.37600 8.617870 24.18654       7.212039      24.18654       7.212039      24.18654       7.212039      46.37600 8.617870 46.37600 8.617870 0.000000       0.000000 
1 1 1 31 18 1  o 28.97996 5.612252 5.028590       4.910988      -10.32923      6.830184      20.38924       7.058305      15.06382 7.295669 42.89609 8.530105 -27.83226      11.22450 
1 1 1 31 18 2  o 33.09048 7.184193 12.43333       5.523799      18.90149       8.558097      5.963038       6.990294      40.35829 10.50292 25.82267 9.805058 14.53562       14.36839 
1 1 1 31 18 3  o 44.50246 6.425737 22.25247       5.576932      15.59302       8.501422      28.91191       7.219123      36.61103 10.84888 52.39390 6.889279 -15.78287      12.85147 
1 1 1 31 18 4  o 59.50395 4.987376 37.43459       5.943910      38.73814       8.876901      36.13813       7.906322      60.40038 7.348382 58.60752 6.745143 1.792854       9.974752 
1 1 1 31 18 5  o 69.96254 4.545237 51.50444       6.382442      58.14264       9.691620      44.86625       8.310139      74.44979 6.508830 65.47530 6.346011 8.974495       9.090474 
1 1 1 31 18 6  o 56.49938 5.269155 33.97026       5.938951      33.53102       9.110690      34.40950       7.622942      55.79163 8.164925 57.20713 6.662580 -1.415497      10.53831 
1 1 1 31 18 7  o 28.04772 6.233251 3.786674       5.418239      -9.691620      8.111773      17.26497       7.190785      17.20822 8.248616 38.88722 9.347405 -21.67900      12.46650 
1 1 1 31 18 8  o 72.38081 5.073220 56.06687       7.247461      64.03696       10.00334      48.08971       10.49926      78.00106 6.412310 66.76057 7.863366 11.24049       10.14644 
1 1 1 31 18 9  o 51.85812 6.170921 30.20130       6.256337      33.37516       9.061099      27.02743       8.621859      55.16185 8.213194 48.55439 9.212193 6.607456       12.34184 
1 1 1 31 18 10 o 29.51103 7.696001 9.372816       6.086309      7.736294       9.146112      11.00934       8.033843      28.20339 11.08986 30.81867 10.67374 -2.615276      15.39200 
1 1 1 31 18 11 o 24.98283 7.390482 3.735666       6.250670      7.367898       9.564099      0.1073304      8.055097      28.21984 11.26283 21.74582 9.572126 6.474014       14.78096 
1 1 1 31 18 12 o 34.81932 7.458725 12.73796       6.701954      3.117897       10.42133      22.35165       8.430575      26.03319 11.16592 43.60544 9.892049 -17.57225      14.91745 
1 1 1 31 18 13 o 40.73288 10.67612 31.42692       11.93033      41.01936       20.38924      21.83448       12.39791      44.28790 16.76640 37.17786 13.22143 7.110039       21.35224 
1 1 1 31 18 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 18 15 o 26.89385 7.675913 8.210957       6.583642      4.974040       9.861650      11.44858       8.728126      24.64975 10.72135 29.13796 10.98777 -4.488213      15.35183 
1 1 1 31 18 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 18 17 o 21.60655 6.686469 1.958869       5.547177      0.7771716      8.168448      3.140567       7.509589      21.12403 9.435615 22.08907 9.476531 -0.9650421     13.37294 
1 1 1 31 18 18 o 50.43906 5.524567 29.79040       5.600311      25.14295       7.183701      34.43076       8.593520      46.57313 7.712280 54.30500 7.912274 -7.731865      11.04913 
1 1 1 31 18 19 o 29.34643 7.479771 11.93741       5.987126      19.14237       9.160281      4.728208       7.707955      35.81552 11.38848 22.87734 9.700024 12.93818       14.95954 
1 1 1 31 18 20 o 24.00505 6.705310 6.555304       4.989626      9.386987       6.509255      3.723622       7.566265      26.34885 9.559051 21.66126 9.405811 4.687597       13.41062 
1 1 1 31 18 21 o 27.18725 7.057471 10.94558       5.055512      9.082352       6.541135      12.80881       7.707955      25.49557 9.532881 28.87893 10.40941 -3.383364      14.11494 
1 1 1 31 18 22 o 14.93726 5.166595 -9.273635      5.229791      -14.91999      7.566265      -3.622314      7.226208      13.34525 6.672593 16.52928 7.889951 -3.184031      10.33319 
1 1 1 31 19 0  o 24.84021 12.02789 9.812057       6.916615      9.812057       6.916615      9.812057       6.916615      24.84021 12.02789 24.84021 12.02789 0.000000       0.000000 
1 1 1 31 19 1  o 20.68268 6.262739 -0.9422409E-02 4.792676      3.649944       6.802555      -3.669072      6.754380      23.36239 9.427392 18.00296 8.246933 5.359436       12.52548 
1 1 1 31 19 2  o 31.50462 7.051164 11.20062       5.005212      12.73088       7.169532      9.670367       6.983918      33.32766 9.980673 29.68157 9.963024 3.646090       14.10233 
1 1 1 31 19 3  o 24.33355 6.797989 4.232999       5.013713      7.190785       7.127024      1.273088       7.052638      27.01624 9.980500 21.65085 9.232565 5.365383       13.59598 
1 1 1 31 19 4  o 107.4732 3.295693 118.6657       7.080976      122.2079       9.989170      115.1943       10.03876      109.1119 4.577487 105.8344 4.742676 3.277588       6.591386 
1 1 1 31 19 5  o 19.58985 6.171047 -1.344641      4.903194      -0.1012378E-01 6.927242      -2.679365      6.939993      20.44625 8.939013 18.73346 8.510072 1.712784       12.34209 
1 1 1 31 19 6  o 19.72308 6.637495 -6.419991      6.812472      -1.998543      11.68946      -10.83931      7.004463      24.44295 11.08537 15.00321 7.303410 9.439735       13.27499 
1 1 1 31 19 7  o 79.16347 7.483781 73.11222       10.44966      60.96936       18.22846      85.29759       10.23004      68.17691 13.85044 90.15002 5.673900 -21.97311      14.96756 
1 1 1 31 19 8  o 32.99749 8.108856 11.59027       7.559181      8.558097       13.32598      14.62245       7.141194      30.94499 12.91738 35.05000 9.805897 -4.105017      16.21771 
1 1 1 31 19 9  o 31.65338 8.900651 10.98100       9.181536      13.65895       16.82573      8.310139       7.339560      35.37798 14.62503 27.92878 10.14863 7.449196       17.80130 
1 1 1 31 19 10 o 31.61149 9.006748 11.74613       9.124859      18.34890       16.57069      5.142652       7.658363      38.07033 14.94024 25.15265 10.06356 12.91768       18.01350 
1 1 1 31 19 11 o 23.97212 8.087276 -1.929114      10.32214      5.652028       18.03718      -9.507423      10.03876      29.21199 13.42140 18.73225 9.026745 10.47974       16.17455 
1 1 1 31 19 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 19 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 19 14 o 23.77335 7.037361 3.807220       5.803638      9.365732       9.124859      -1.752710      7.176617      28.53244 11.10919 19.01427 8.641972 9.518179       14.07472 
1 1 1 31 19 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 19 16 o 34.49441 6.825015 15.31673       4.970498      18.39141       7.098687      12.24913       6.962664      38.21298 9.351652 30.77584 9.943335 7.437147       13.65003 
1 1 1 31 19 17 o 23.85183 6.393650 5.091643       4.731040      -1.577722      6.568765      11.76030       6.811764      17.88199 8.167004 29.82168 9.839464 -11.93969      12.78730 
1 1 1 31 19 18 o 22.16670 6.562294 3.749835       5.114314      6.950621       6.636068      0.5486959      7.785885      24.19553 9.462884 20.13787 9.094429 4.057663       13.12459 
1 1 1 31 19 19 o 19.76609 6.278236 0.1800884      5.395568      -3.934741      7.970083      4.294635       7.275800      17.74875 8.396631 21.78342 9.336036 -4.034670      12.55647 
1 1 1 31 19 20 o 39.71286 6.648612 21.97617       5.224832      19.24155       6.826642      24.70371       7.913406      37.38498 9.184134 42.04074 9.616019 -4.655758      13.29722 
1 1 1 31 19 21 f 17.27431 5.717787 -1.581264      5.000961      -0.5533008     6.563805      -2.608519      7.545012      17.32371 8.013044 17.22491 8.158643 0.9879875E-01  11.43557 
1 1 1 31 20 0  o 22.68830 11.96290 8.480167       7.148279      8.480167       7.148279      8.480167       7.148279      22.68830 11.96290 22.68830 11.96290 0.000000       0.000000 
1 1 1 31 20 1  o 66.24313 4.882187 47.29624       6.522716      52.85050       10.26547      41.74198       8.055097      69.84576 7.348669 62.64050 6.429624 7.205254       9.764374 
1 1 1 31 20 2  o 31.67489 7.546557 11.39899       5.899987      8.303054       8.997337      14.50201       7.637110      28.59411 11.05222 34.75567 10.27865 -6.161560      15.09311 
1 1 1 31 20 3  o 83.63476 4.700621 74.81251       7.856731      76.01688       12.85840      73.53729       9.025676      83.39486 7.709348 83.87466 5.380455 -0.4797974     9.401241 
1 1 1 31 20 4  o 26.03208 7.340982 3.866730       6.399445      -1.399901      10.44258      9.131943       7.403321      23.37386 10.54534 28.69031 10.21547 -5.316448      14.68196 
1 1 1 31 20 5  o 30.27014 7.499769 9.153197       6.198953      4.365480       9.960832      13.94233       7.382068      26.32767 11.08799 34.21261 10.10161 -7.884939      14.99954 
1 1 1 31 20 6  o 22.83260 7.032042 0.6376066      6.145820      -0.9054013     9.727042      2.180614       7.509589      23.04424 10.29484 22.62096 9.581996 0.4232864      14.06408 
1 1 1 31 20 7  o 20.99840 6.809453 -3.974414      6.512797      1.574888       10.22296      -9.521592      8.076350      24.94160 10.88214 17.05521 8.188624 7.886391       13.61891 
1 1 1 31 20 8  o 23.53153 7.093874 0.7452913E-01  6.580100      -6.256337      10.80389      6.405112       7.516674      21.30708 9.992749 25.75599 10.07160 -4.448917      14.18775 
1 1 1 31 20 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 20 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 20 11 o 35.32027 14.31786 32.97843       15.79139      32.97843       15.79139      ?              ?             35.32027 14.31786 ?        ?        ?              ?        
1 1 1 31 20 12 o 26.46196 7.949101 5.921948       7.353730      3.765421       9.309056      8.076350       11.39190      24.49485 10.53125 28.42908 11.90989 -3.934237      15.89820 
1 1 1 31 20 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 20 14 o 45.13888 6.468050 26.01435       5.836935      13.88566       8.798972      38.13596       7.672533      31.73897 11.15329 58.53878 6.553376 -26.79981      12.93610 
1 1 1 31 20 15 o 21.60923 6.505992 1.687532       5.278674      -2.600018      8.161365      5.975082       6.692744      19.32134 8.936316 23.89713 9.458014 -4.575792      13.01198 
1 1 1 31 20 16 o 16.29119 5.499842 -6.235084      5.119273      -8.196787      7.941744      -4.276924      6.463914      16.40424 7.931292 16.17815 7.621526 0.2260818      10.99968 
1 1 1 31 20 17 o 25.78791 6.969676 8.232210       5.460038      16.25188       8.678535      0.2172822      6.624024      32.86032 11.10619 18.71549 8.423654 14.14483       13.93935 
1 1 1 31 20 18 o 32.75056 7.464960 16.32273       5.575515      18.24263       8.579351      14.40991       7.127024      34.12419 11.03875 31.37693 10.05229 2.747253       14.92992 
1 1 1 31 20 19 o 19.78022 6.185744 2.486666       4.828807      2.683615       6.991711      2.289716       6.662281      20.03297 8.856732 19.52748 8.637824 0.5054893      12.37149 
1 1 1 31 20 20 o 32.41478 6.748655 16.22355       4.902486      11.61152       6.927950      20.83557       6.939286      26.91381 9.852081 37.91576 9.225719 -11.00196      13.49731 
1 1 1 31 21 0  o 18.02021 11.83255 0.9812057      10.31506      0.9812057      10.31506      0.9812057      10.31506      18.02021 11.83255 18.02021 11.83255 0.000000       0.000000 
1 1 1 31 21 1  o 41.07635 8.549909 21.33857       7.587519      25.58928       11.06602      17.08786       10.37882      45.11713 12.03704 37.03558 12.14551 8.081547       17.09982 
1 1 1 31 21 2  o 58.96057 7.200987 41.04770       8.062181      30.90266       11.63986      51.19273       11.15812      49.75420 11.85042 68.16695 8.184404 -18.41275      14.40197 
1 1 1 31 21 3  o 34.30975 12.20732 0.000000       0.000000      ?              ?             14.58702       10.57010      ?        ?        34.30975 12.20732 ?              ?        
1 1 1 31 21 4  o 30.42975 8.125976 11.16520       6.784843      9.146112       9.039845      13.18429       10.11669      28.59107 11.07266 32.26842 11.89631 -3.677353      16.25195 
1 1 1 31 21 5  o 21.88416 10.88325 -20.38216      18.62520      -20.38216      18.62520      ?              ?             21.88416 10.88325 ?        ?        ?              ?        
1 1 1 31 21 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 21 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 21 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 21 9  o 29.03688 7.536488 9.727042       6.300261      3.886566       9.564099      15.57177       8.203872      24.17809 10.53754 33.89568 10.77752 -9.717588      15.07298 
1 1 1 31 21 10 o 62.07373 4.908276 42.58503       6.089143      45.12838       8.728126      40.04878       8.494337      64.03165 6.815478 60.11580 7.064979 3.915855       9.816551 
1 1 1 31 21 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 21 12 o 25.63738 7.321089 7.212039       5.827016      6.633234       7.452912      7.785885       8.954830      24.86509 9.936337 26.40968 10.75466 -1.544592      14.64218 
1 1 1 31 21 13 o 42.43074 6.245561 22.14620       5.225540      27.49501       7.367898      16.79031       7.410406      48.98335 7.520819 35.87814 9.973235 13.10522       12.49112 
1 1 1 31 21 14 o 18.19859 5.874430 -1.820721      4.864230      -4.649569      6.999504      1.008127       6.757213      16.74995 7.902647 19.64722 8.693898 -2.897268      11.74886 
1 1 1 31 21 15 o 39.42461 7.056611 21.18979       5.681783      18.20721       8.586436      24.16529       7.445828      35.22974 10.99898 43.61948 8.843386 -8.389736      14.11322 
1 1 1 31 21 16 o 20.76485 6.490838 2.582307       5.313388      3.719372       8.090520      1.445950       6.889693      21.94794 9.627474 19.58176 8.708365 2.366182       12.98168 
1 1 1 31 21 17 o 23.27837 6.893316 5.873065       5.640693      3.182366       8.749379      8.565183       7.119940      21.59978 9.703638 24.95697 9.793396 -3.357199      13.78663 
1 1 1 31 21 18 o 20.05941 6.304833 1.275213       5.434533      -3.599643      8.338477      6.150070       6.969748      17.74004 8.469687 22.37878 9.341739 -4.638737      12.60967 
1 1 1 31 22 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 22 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 22 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 22 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 22 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 22 5  o 23.65437 7.102141 -2.397401      7.516674      9.861650       7.962997      -14.65787      12.74505      27.78954 10.49046 19.51920 9.576636 8.270336       14.20428 
1 1 1 31 22 6  f 25.36273 7.464389 5.698077       6.310180      2.299635       7.771716      9.096521       9.946663      22.20836 9.586340 28.51711 11.44424 -6.308754      14.92878 
1 1 1 31 22 7  o 23.12796 7.314021 0.8402238      6.962664      1.198700       9.719957      0.4812513      9.967916      23.21861 10.33411 23.03731 10.35306 0.1813011      14.62804 
1 1 1 31 22 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 22 9  o 19.88568 6.494820 -2.757294      6.105437      -10.57718      7.304138      5.064013       9.783719      14.95937 7.315763 24.81199 10.73361 -9.852618      12.98964 
1 1 1 31 22 10 o 48.00293 6.480174 30.10920       6.218081      14.67204       7.523758      45.54636       9.904156      33.31770 10.27462 62.68816 7.899543 -29.37045      12.96035 
1 1 1 31 22 11 o 22.46187 6.949371 0.7750462      6.584351      5.095893       6.955580      -3.545093      11.17937      23.23486 9.472833 21.68887 10.17057 1.545994       13.89874 
1 1 1 31 22 12 o 24.34627 6.979796 5.356604       5.685325      9.705790       7.275800      1.006001       8.742295      27.28539 10.08329 21.40714 9.653881 5.878242       13.95959 
1 1 1 31 22 13 o 24.82781 7.095376 7.318307       5.474207      6.763589       7.037052      7.870899       8.388069      24.16387 9.655550 25.49175 10.39942 -1.327885      14.19075 
1 1 1 31 22 14 o 16.92568 5.629568 -4.407279      5.060471      -0.9897071     6.680700      -7.828392      7.601687      17.94926 8.213764 15.90210 7.700795 2.047155       11.25914 
1 1 1 31 22 15 o 23.95871 6.894432 7.396237       5.224832      6.208871       6.483750      8.593520       8.196787      22.78524 9.199974 25.13218 10.27099 -2.346939      13.78886 
1 1 1 31 22 16 o 18.32670 6.013556 -0.7800054     5.299220      -0.8288885     6.650945      -0.7304138     8.253463      17.58627 8.108335 19.06712 8.882924 -1.480850      12.02711 
1 1 1 31 22 17 f 36.48595 6.938755 20.26880       5.234750      17.13745       7.268716      23.40725       7.530843      32.94888 10.08642 40.02303 9.531492 -7.074146      13.87751 
1 1 1 31 23 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 23 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 23 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 23 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 23 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 31 23 5  o 35.39320 7.743253 17.40666       6.036009      17.77505       8.543928      17.03827       8.529759      35.79128 10.93119 34.99512 10.97001 0.7961502      15.48651 
1 1 1 31 23 6  o 28.66737 7.165459 9.918325       5.508212      14.90582       7.523758      4.939326       8.048012      33.48776 10.26399 23.84697 10.00129 9.640787       14.33092 
1 1 1 31 23 7  o 39.01968 6.980062 19.64537       5.628649      24.04485       7.424574      15.23880       8.465999      44.58372 8.634720 33.45564 10.96935 11.12808       13.96012 
1 1 1 31 23 8  o 25.46497 7.233699 6.681408       5.795135      10.88890       8.451830      2.475331       7.927575      28.93730 10.83286 21.99264 9.589305 6.944660       14.46740 
1 1 1 31 23 9  o 20.07147 6.189927 -0.5187992     5.088809      -8.104689      6.903862      7.070349       7.474166      15.20393 7.358538 24.93902 9.955535 -9.735084      12.37985 
1 1 1 31 23 10 o 38.69865 7.353424 20.74347       5.902112      21.86282       7.580434      19.62411       9.046929      40.90120 9.449700 36.49611 11.26919 4.405098       14.70685 
1 1 1 31 23 11 o 19.65971 6.369975 -0.3461495     5.666906      -3.480623      6.944952      2.788466       8.954830      17.05820 8.002185 22.26121 9.913192 -5.203005      12.73995 
1 1 1 31 23 12 o 20.80567 6.417534 1.223496       5.442327      6.541135       7.098687      -4.094143      8.253463      23.58213 9.584714 18.02921 8.536523 5.552921       12.83507 
1 1 1 31 23 13 o 33.84234 7.568437 17.95217       5.854646      12.61753       7.219123      23.28681       9.216957      29.16191 10.11631 38.52278 11.25990 -9.360872      15.13687 
1 1 1 31 23 14 o 24.00399 6.956441 7.651280       5.452245      2.923780       6.851437      12.37665       8.480167      20.13373 8.845453 27.87425 10.73901 -7.740524      13.91288 
1 1 1 31 23 15 o 29.68501 7.280534 14.60119       5.651320      6.833726       7.091603      22.36582       8.798972      22.74330 9.453924 36.62672 11.07466 -13.88342      14.56107 
1 1 1 31 24 0  o 14.82199 9.766141 0.7537927      7.105771      0.7537927      7.105771      0.7537927      7.105771      14.82199 9.766141 14.82199 9.766141 0.000000       0.000000 
1 1 1 31 24 1  o 25.18174 6.400859 4.544010       5.116439      14.94125       7.297054      -5.856062      7.169532      33.72955 10.06257 16.63393 7.913830 17.09562       12.80172 
1 1 1 31 24 2  o 30.53205 7.079576 12.08619       5.186575      7.991336       7.219123      16.17395       7.445828      26.03453 9.941197 35.02957 10.08237 -8.995043      14.15915 
1 1 1 31 24 3  o 24.14210 6.733511 5.648486       5.024340      1.444533       7.033509      9.854564       7.176617      20.44216 8.971699 27.84203 10.04337 -7.399874      13.46702 
1 1 1 31 24 4  o 23.72430 6.566638 4.266296       5.119273      11.28564       7.127024      -2.750918      7.346645      29.24471 10.06055 18.20389 8.442057 11.04082       13.13328 
1 1 1 31 24 5  o 24.22724 6.872366 6.459663       5.071806      6.522716       7.318307      6.397319       7.021466      24.34428 9.796986 24.11020 9.640371 0.2340755      13.74473 
1 1 1 31 24 6  o 29.06645 6.013429 8.827310       5.032133      -4.359813      6.876233      22.01160       7.346645      16.67025 7.855549 41.46264 9.106901 -24.79239      12.02686 
1 1 1 31 24 7  o 16.63557 5.608969 -5.336059      5.129191      -5.330391      7.030676      -5.342435      7.467082      16.37297 7.807498 16.89816 8.055130 -0.5251923     11.21794 
1 1 1 31 24 8  o 19.15910 6.041035 -2.418654      5.183033      -11.49109      7.098687      6.650945       7.552096      14.17330 6.980196 24.14489 9.861708 -9.971594      12.08207 
1 1 1 31 24 9  o 24.53609 6.919923 7.078850       5.289301      10.03876       7.169532      4.120355       7.778800      26.96545 10.00052 22.10672 9.567179 4.858736       13.83985 
1 1 1 31 24 10 o 17.52672 5.809207 -2.624105      5.141943      -3.943242      6.862772      -1.304968      7.658363      16.47089 7.791836 18.58254 8.618285 -2.111650      11.61841 
1 1 1 31 24 11 o 32.32940 7.478649 16.13853       5.568431      15.83390       7.679617      16.44317       8.062181      32.19769 10.44670 32.46110 10.70454 -0.2634048     14.95730 
1 1 1 31 24 12 o 45.16111 6.625055 30.14462       6.242169      14.33906       8.253463      45.95018       9.365732      29.70418 10.76507 60.61805 7.725202 -30.91387      13.25011 
1 1 1 31 24 13 o 17.18013 5.726284 -2.101976      5.166739      -2.555386      6.560972      -1.648567      7.984251      16.30930 7.681913 18.05096 8.494087 -1.741669      11.45257 
1 1 1 31 25 0  o 20.97647 11.76974 8.189702       7.353730      8.189702       7.353730      8.189702       7.353730      20.97647 11.76974 20.97647 11.76974 0.000000       0.000000 
1 1 1 31 25 1  o 26.50822 7.015743 9.280719       5.029299      9.946663       7.091603      8.621859       7.134109      27.18302 9.966092 25.83342 9.877227 1.349600       14.03149 
1 1 1 31 25 2  o 19.94041 6.233113 1.165403       4.988917      -1.855435      6.998086      4.185533       7.112856      17.94180 8.289366 21.93902 9.310919 -3.997223      12.46623 
1 1 1 31 25 3  o 19.89028 6.042524 -0.8650196     4.952786      8.338477       7.105771      -10.06710      6.900320      25.44622 9.824759 14.33433 7.037221 11.11189       12.08505 
1 1 1 31 25 4  o 20.52049 6.282137 1.870313       4.976873      6.196828       6.914490      -2.456911      7.162447      23.33210 9.467693 17.70888 8.259768 5.623220       12.56427 
1 1 1 31 25 5  o 25.70982 6.892811 8.402238       5.134858      12.05785       6.980375      4.741668       7.530843      29.09612 9.960496 22.32352 9.530578 6.772602       13.78562 
1 1 1 31 25 6  f 17.93547 5.851378 -1.280172      4.917363      0.8175534      7.261631      -3.378607      6.629692      19.39784 8.770353 16.47309 7.748253 2.924744       11.70276 
1 1 1 31 25 7  o 27.60572 6.988056 10.70471       5.251753      16.22355       7.523758      5.188701       7.332476      32.95597 10.29724 22.25548 9.449796 10.70049       13.97611 
1 1 1 31 25 8  o 17.87118 5.829330 -0.9493253     4.861396      0.3494084      6.857813      -2.248626      6.893235      18.56693 8.441107 17.17542 8.041897 1.391510       11.65866 
1 1 1 31 25 9  o 17.94344 5.842868 -0.6474540     4.869189      0.8954831      6.783425      -2.190533      6.986042      18.69546 8.463449 17.19143 8.057695 1.504026       11.68574 
1 1 1 31 25 10 o 17.84603 6.088720 -3.474956      6.395903      -4.787009      6.911656      -2.162903      10.76138      15.78398 7.577533 19.90808 9.532630 -4.124094      12.17744 
1 1 1 31 25 11 o 29.60025 7.002319 13.99192       5.438785      20.00668       7.360813      7.977167       8.012589      35.91781 9.923722 23.28270 9.881782 12.63512       14.00464 
1 1 1 31 26 0  o 29.02562 12.17366 14.38866       7.056888      14.38866       7.056888      14.38866       7.056888      29.02562 12.17366 29.02562 12.17366 0.000000       0.000000 
1 1 1 31 26 1  o 27.07097 6.976428 10.65512       4.978999      13.08510       7.105771      8.218040       6.978959      29.56997 10.04958 24.57197 9.679266 4.997999       13.95286 
1 1 1 31 26 2  o 22.76256 6.732160 5.924782       5.192243      8.685618       7.537927      3.160403       7.141194      24.96828 9.986479 20.55684 9.030955 4.411448       13.46432 
1 1 1 31 26 3  o 19.65869 6.197852 2.019796       4.944993      1.284423       6.966915      2.755169       7.018632      19.15944 8.630348 20.15795 8.897784 -0.9985123     12.39570 
1 1 1 31 26 4  o 20.85794 6.391766 3.537299       5.029299      0.4494418      7.051221      6.626149       7.176617      18.68116 8.510701 23.03472 9.538692 -4.353559      12.78353 
1 1 1 31 26 5  o 17.18700 5.709566 -3.482749      5.132733      -9.004422      7.169532      2.038216       7.346645      14.63765 7.181966 19.73635 8.877834 -5.098697      11.41913 
1 1 1 31 26 6  o 18.85673 6.056018 0.9762466      5.015130      -1.127855      7.105771      3.080348       7.080976      17.64687 8.229363 20.06660 8.887013 -2.419731      12.11204 
1 1 1 31 26 7  o 23.52884 6.953132 7.877984       5.543635      6.677158       8.288886      9.075267       7.367898      22.63580 9.837093 24.42187 9.829331 -1.786070      13.90626 
1 1 1 31 26 8  o 18.70493 5.987381 1.856144       4.855729      2.793425       6.681408      0.9181535      7.048388      19.14207 8.542424 18.26779 8.391774 0.8742714      11.97476 
1 1 1 32 0  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 0  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 0  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 0  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 0  4  o 14.35322 9.564785 -1.285131      7.119940      -1.285131      7.119940      -1.285131      7.119940      14.35322 9.564785 14.35322 9.564785 0.000000       0.000000 
1 1 1 32 0  5  o 45.35082 7.536874 22.22413       6.340643      22.22413       6.340643      22.22413       6.340643      45.35082 7.536874 45.35082 7.536874 0.000000       0.000000 
1 1 1 32 0  6  o 89.22001 4.281127 80.55096       7.601687      80.55096       7.601687      80.55096       7.601687      89.22001 4.281127 89.22001 4.281127 0.000000       0.000000 
1 1 1 32 0  7  o 17.57995 10.09559 4.208911       5.559929      4.208911       5.559929      4.208911       5.559929      17.57995 10.09559 17.57995 10.09559 0.000000       0.000000 
1 1 1 32 0  8  o 21.71556 10.82813 7.190785       5.665489      7.190785       5.665489      7.190785       5.665489      21.71556 10.82813 21.71556 10.82813 0.000000       0.000000 
1 1 1 32 0  9  o 41.02829 8.213002 18.93692       5.986417      18.93692       5.986417      18.93692       5.986417      41.02829 8.213002 41.02829 8.213002 0.000000       0.000000 
1 1 1 32 0  10 o 63.00803 5.112924 40.77848       6.360480      40.77848       6.360480      40.77848       6.360480      63.00803 5.112924 63.00803 5.112924 0.000000       0.000000 
1 1 1 32 0  11 o 15.28395 9.475614 2.077181       5.618022      2.077181       5.618022      2.077181       5.618022      15.28395 9.475614 15.28395 9.475614 0.000000       0.000000 
1 1 1 32 0  12 o 72.72861 4.669903 53.92735       6.735251      53.92735       6.735251      53.92735       6.735251      72.72861 4.669903 72.72861 4.669903 0.000000       0.000000 
1 1 1 32 0  13 o 124.8551 3.715336 157.0638       9.259464      157.0638       9.259464      157.0638       9.259464      124.8551 3.715336 124.8551 3.715336 0.000000       0.000000 
1 1 1 32 0  14 o 23.22650 10.89665 8.225125       5.634317      8.225125       5.634317      8.225125       5.634317      23.22650 10.89665 23.22650 10.89665 0.000000       0.000000 
1 1 1 32 0  15 o 9.661641 6.881280 -5.943202      5.295677      -5.943202      5.295677      -5.943202      5.295677      9.661641 6.881280 9.661641 6.881280 0.000000       0.000000 
1 1 1 32 0  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 0  17 o 18.32718 10.49728 4.804011       5.993503      4.804011       5.993503      4.804011       5.993503      18.32718 10.49728 18.32718 10.49728 0.000000       0.000000 
1 1 1 32 0  18 o 86.59559 4.205818 76.22942       7.247461      76.22942       7.247461      76.22942       7.247461      86.59559 4.205818 86.59559 4.205818 0.000000       0.000000 
1 1 1 32 0  19 o 47.30561 7.592683 24.35657       6.726750      24.35657       6.726750      24.35657       6.726750      47.30561 7.592683 47.30561 7.592683 0.000000       0.000000 
1 1 1 32 0  20 o 21.46573 10.93197 7.396237       5.834100      7.396237       5.834100      7.396237       5.834100      21.46573 10.93197 21.46573 10.93197 0.000000       0.000000 
1 1 1 32 0  21 o 82.86288 4.577778 70.37760       7.537927      70.37760       7.537927      70.37760       7.537927      82.86288 4.577778 82.86288 4.577778 0.000000       0.000000 
1 1 1 32 0  22 o 41.53014 9.587051 20.93475       6.920866      20.93475       6.920866      20.93475       6.920866      41.53014 9.587051 41.53014 9.587051 0.000000       0.000000 
1 1 1 32 0  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 0  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 0  25 o 18.98963 10.45196 6.077100       5.648486      6.077100       5.648486      6.077100       5.648486      18.98963 10.45196 18.98963 10.45196 0.000000       0.000000 
1 1 1 32 0  26 o 56.51495 6.097509 34.79915       6.750837      34.79915       6.750837      34.79915       6.750837      56.51495 6.097509 56.51495 6.097509 0.000000       0.000000 
1 1 1 32 0  27 o 16.07427 10.19322 3.343892       6.905280      3.343892       6.905280      3.343892       6.905280      16.07427 10.19322 16.07427 10.19322 0.000000       0.000000 
1 1 1 32 0  28 o 16.22868 10.26448 3.858228       6.961956      3.858228       6.961956      3.858228       6.961956      16.22868 10.26448 16.22868 10.26448 0.000000       0.000000 
1 1 1 32 1  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 1  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 1  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 1  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 1  4  o 43.88953 5.514893 20.39633       4.690660      16.84698       6.616940      23.95275       6.650237      39.49212 8.616084 48.28694 6.886165 -8.794823      11.02979 
1 1 1 32 1  5  o 36.26736 5.748510 14.24696       4.369730      6.594269       6.053012      21.89116       6.304513      26.35227 9.251588 46.18246 6.825657 -19.83018      11.49702 
1 1 1 32 1  6  f 38.58805 5.570800 16.25897       4.262754      8.749379       5.897153      23.76856       6.157863      28.96348 9.129750 48.21263 6.386151 -19.24915      11.14160 
1 1 1 32 1  7  o 82.35055 3.122407 68.53563       5.144777      68.25224       7.155363      68.81901       7.389152      82.19253 4.352806 82.50857 4.477809 -0.3160400     6.244813 
1 1 1 32 1  8  o 28.84026 5.937273 8.522675       3.936158      3.555011       5.436659      13.48892       5.693118      22.26582 8.594378 35.41470 8.193990 -13.14888      11.87455 
1 1 1 32 1  9  o 45.46453 4.638034 21.20396       4.195451      23.06719       5.800095      19.34782       6.064347      47.53395 6.101003 43.39512 6.987361 4.138832       9.276068 
1 1 1 32 1  10 o 140.0372 2.542149 197.6581       7.119940      203.8924       10.13086      191.4237       10.00334      142.2564 3.560775 137.8181 3.629183 4.438324       5.084298 
1 1 1 32 1  11 o 56.94010 3.874499 33.19096       4.392401      37.67547       6.327891      28.69938       6.093394      60.86084 5.198657 53.01936 5.746386 7.841476       7.748998 
1 1 1 32 1  12 o 59.81207 3.803022 36.49235       4.546844      38.05095       6.456830      34.92667       6.403696      61.11312 5.282687 58.51101 5.472215 2.602116       7.606045 
1 1 1 32 1  13 o 66.55761 3.568935 45.19923       4.731040      49.44285       6.645986      40.95560       6.735959      69.75361 4.763902 63.36161 5.315490 6.391998       7.137870 
1 1 1 32 1  14 o 89.41734 3.383029 81.82619       6.155738      94.08241       10.06710      69.58414       7.084518      95.99377 5.243621 82.84091 4.275978 13.15285       6.766059 
1 1 1 32 1  15 o 99.90948 2.861276 101.3794       5.711539      94.86169       8.019674      107.8264       8.133026      96.67535 4.147735 103.1436 3.942574 -6.468254      5.722551 
1 1 1 32 1  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 1  17 o 110.7086 3.017848 124.7584       6.658030      130.4968       8.912323      119.0199       9.897071      113.4003 3.929584 108.0168 4.581265 5.383553       6.035696 
1 1 1 32 1  18 o 45.96656 5.227631 22.72005       4.591476      25.11462       5.780259      20.31840       7.134109      49.19601 5.874723 42.73711 8.648706 6.458897       10.45526 
1 1 1 32 1  19 o 22.30090 6.210588 2.783507       4.372564      -2.166445      5.683200      7.736294       6.647403      17.22613 7.775212 27.37567 9.686675 -10.14954      12.42118 
1 1 1 32 1  20 o 55.15591 4.426552 32.73047       4.571640      42.52128       5.924074      22.94675       6.963373      64.24418 4.610592 46.06764 7.557770 18.17654       8.853104 
1 1 1 32 1  21 o 21.70248 5.791895 2.022630       4.040300      7.736294       5.101561      -3.687491      6.267673      26.37661 8.510236 17.02835 7.858760 9.348261       11.58379 
1 1 1 32 1  22 o 43.29393 5.828360 22.15329       4.869189      14.40283       6.809639      29.91083       6.961247      34.21192 9.576897 52.37595 6.645463 -18.16403      11.65672 
1 1 1 32 1  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 1  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 1  25 o 20.62643 6.172752 2.358436       4.474581      3.675447       5.748378      1.040716       6.859231      21.13609 8.613486 20.11678 8.844169 1.019306       12.34550 
1 1 1 32 1  26 o 41.24823 5.928178 21.03393       4.787717      24.45576       6.580809      17.61211       6.956288      45.94183 7.162110 36.55464 9.448668 9.387192       11.85636 
1 1 1 32 1  27 o 26.34150 6.760112 9.500339       4.623356      9.783719       6.201078      9.209873       6.859231      26.72450 9.365789 25.95851 9.750819 0.7659893      13.52022 
1 1 1 32 1  28 o 32.02970 6.669762 15.03335       5.139817      7.403321       7.254546      22.67046       7.282885      23.59276 9.655710 40.46664 9.203813 -16.87388      13.33952 
1 1 1 32 2  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 2  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 2  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 2  3  o 91.27566 8.922043 87.13957       16.28731      87.13957       16.28731      ?              ?             91.27566 8.922043 ?        ?        ?              ?        
1 1 1 32 2  4  o 28.27614 6.680684 8.069265       4.441284      8.005506       6.242877      8.125941       6.317973      28.18129 9.419628 28.37099 9.476114 -0.1896973     13.36137 
1 1 1 32 2  5  o 29.27159 6.393242 8.784801       4.280466      5.374315       6.054429      12.19245       6.052303      24.96850 9.203206 33.57468 8.876664 -8.606176      12.78648 
1 1 1 32 2  6  o 37.67376 5.872546 15.26714       4.307387      15.57885       6.105437      14.96250       6.077100      38.06955 8.251135 37.27797 8.358587 0.7915840      11.74509 
1 1 1 32 2  7  o 27.43555 6.342692 7.644195       4.009837      7.098687       5.663363      8.189702       5.678241      26.72401 8.971785 28.14709 8.968058 -1.423080      12.68538 
1 1 1 32 2  8  f 29.81113 5.460818 8.232210       4.171364      -1.972330      5.793718      18.44100       6.004128      17.89940 7.972213 41.72285 7.464983 -23.82345      10.92164 
1 1 1 32 2  9  o 83.36906 3.111082 70.30676       5.184450      66.66531       7.247461      73.96236       7.417490      81.19149 4.463191 85.54665 4.335348 -4.355156      6.222163 
1 1 1 32 2  10 o 64.93398 3.642625 42.84008       4.731040      42.09620       6.604896      43.58395       6.775633      64.37440 5.130064 65.49355 5.172748 -1.119156      7.285251 
1 1 1 32 2  11 o 59.03798 3.829769 35.52885       4.520631      33.89942       6.316556      37.15829       6.469582      57.67126 5.476346 60.40469 5.355198 -2.733425      7.659538 
1 1 1 32 2  12 o 88.11460 2.980396 78.63815       5.255295      75.94603       7.289969      81.25941       7.566265      86.62688 4.207683 89.60232 4.222137 -2.975433      5.960792 
1 1 1 32 2  13 o 24.82238 6.087963 4.143734       4.301011      10.09544       5.591810      -1.807261      6.536176      30.51924 8.722268 19.12551 8.495601 11.39373       12.17593 
1 1 1 32 2  14 o 23.29165 5.879673 3.309887       4.022589      -3.010920      5.596769      9.627860       5.778841      16.72779 7.610476 29.85552 8.964536 -13.12773      11.75935 
1 1 1 32 2  15 o 23.33523 7.723331 -13.18429      9.486169      -2.624814      12.55377      -23.74022      14.21863      25.92965 11.63670 20.74081 10.15808 5.188845       15.44666 
1 1 1 32 2  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 2  17 o 18.45994 5.785656 -5.267339      4.961997      2.021213       5.368648      -12.55377      8.345562      20.28886 8.305429 16.63103 8.056991 3.657831       11.57131 
1 1 1 32 2  18 o 30.71183 6.021070 8.409323       4.860687      16.45733       5.304179      0.3585474      8.147196      38.98044 7.063413 22.44323 9.753016 16.53721       12.04214 
1 1 1 32 2  19 o 37.57455 5.842601 15.56469       4.415071      20.36090       5.426032      10.76847       6.966915      44.15978 6.143637 30.98932 9.939803 13.17046       11.68520 
1 1 1 32 2  20 o 34.13638 6.073608 13.26222       4.240792      15.28131       5.263797      11.24313       6.650945      37.13385 7.349016 31.13890 9.671962 5.994959       12.14722 
1 1 1 32 2  21 o 47.36270 4.822376 24.19363       4.609187      19.99959       5.722165      28.38058       7.226208      43.32478 6.603801 51.40062 7.029301 -8.075836      9.644753 
1 1 1 32 2  22 o 42.79298 7.010320 23.25139       5.899987      21.00560       8.536844      25.49718       8.147196      40.04256 10.52206 45.54340 9.266316 -5.500843      14.02064 
1 1 1 32 2  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 2  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 2  25 o 33.61533 6.582689 14.26822       4.716872      17.40666       6.381733      11.12978       6.947787      37.75045 8.635897 29.48022 9.937226 8.270224       13.16538 
1 1 1 32 2  26 o 18.41581 5.786105 -0.1222079     4.398777      2.615604       5.885818      -2.860020      6.539010      19.86960 8.452450 16.96202 7.903933 2.907579       11.57221 
1 1 1 32 2  27 o 25.55279 6.601237 8.628942       4.507170      10.42133       6.009089      6.830893       6.718957      27.53133 9.241573 23.57425 9.428606 3.957079       13.20247 
1 1 1 32 2  28 o 17.31854 5.489331 -3.269505      4.411529      -13.73688      5.732083      7.197870       6.707621      11.35198 5.711923 23.28510 9.375765 -11.93312      10.97866 
1 1 1 32 3  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 3  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 3  2  o 66.01727 6.422744 45.77307       8.586436      41.61446       9.634944      49.93168       14.21154      63.46346 7.590939 68.57108 10.36264 -5.107624      12.84549 
1 1 1 32 3  3  o 74.19796 3.566917 56.09521       5.268756      48.70606       7.339560      63.48437       7.559181      69.23441 5.300515 79.16151 4.774530 -9.927094      7.133835 
1 1 1 32 3  4  o 59.30519 4.051895 35.93976       4.794801      40.12671       6.945662      31.75989       6.611980      62.80526 5.529522 55.80513 5.924169 7.000134       8.103789 
1 1 1 32 3  5  o 49.93301 4.576339 25.79473       4.483791      20.28297       6.362606      31.30648       6.318681      44.41000 7.163482 55.45602 5.697021 -11.04602      9.152678 
1 1 1 32 3  6  o 34.36300 5.700194 12.60336       4.134524      6.509964       5.761130      18.68896       5.931159      26.05323 9.037265 42.67278 6.949581 -16.61955      11.40039 
1 1 1 32 3  7  o 29.12632 6.360256 8.876901       4.089892      7.856731       5.787343      9.897071       5.780259      27.77273 9.069461 30.47990 8.919434 -2.707163      12.72051 
1 1 1 32 3  8  o 57.63093 3.905801 33.80732       4.488750      36.10270       6.242877      31.51902       6.451162      59.63517 5.234224 55.62668 5.798622 4.008492       7.811602 
1 1 1 32 3  9  o 73.06322 3.325698 54.07613       4.858562      52.44669       6.836560      55.70557       6.905988      71.95284 4.750723 74.17358 4.655288 -2.220741      6.651396 
1 1 1 32 3  10 o 131.7533 2.585527 174.9876       6.814599      172.3663       9.578268      177.6797       9.691620      130.7514 3.662778 132.7551 3.650187 -2.003723      5.171055 
1 1 1 32 3  11 o 49.35165 4.436607 24.98709       4.377523      24.21488       6.195411      25.75931       6.185493      48.56828 6.378043 50.13503 6.168834 -1.566746      8.873215 
1 1 1 32 3  12 o 50.43743 4.374732 26.38274       4.378232      20.97017       5.929033      31.79531       6.443369      45.12621 6.569389 55.74865 5.778946 -10.62244      8.749463 
1 1 1 32 3  13 o 59.60209 4.419388 36.81824       5.092351      43.62646       6.426365      30.00293       7.899237      65.47782 4.907285 53.72635 7.351362 11.75147       8.838777 
1 1 1 32 3  14 o 70.19010 3.692086 50.32842       5.154695      51.72406       6.150779      48.93985       8.274716      71.39753 4.307417 68.98267 5.997678 2.414856       7.384171 
1 1 1 32 3  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 3  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 3  17 o 45.76264 5.544734 23.25139       4.629024      32.40458       5.905654      14.09111       7.127024      56.18298 5.255733 35.34230 9.764916 20.84068       11.08947 
1 1 1 32 3  18 o 34.54550 6.486159 13.17012       4.846519      16.11019       5.501128      10.23004       7.977167      38.40172 7.427695 30.68929 10.63534 7.712431       12.97232 
1 1 1 32 3  19 o 45.08439 5.158346 21.87699       4.540468      21.28189       5.591810      22.47209       7.155363      45.11331 6.197516 45.05547 8.247722 0.5784607E-01  10.31669 
1 1 1 32 3  20 o 58.63605 4.089718 36.10979       4.775673      36.99535       5.970123      35.22422       7.452912      59.71064 4.999212 57.56145 6.473875 2.149185       8.179436 
1 1 1 32 3  21 o 64.75209 3.884260 43.78941       4.993877      45.95727       6.305221      41.62154       7.743378      66.71123 4.725757 62.79295 6.165803 3.918282       7.768520 
1 1 1 32 3  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 3  23 o 22.29341 6.782906 0.8267632      7.318307      7.025008       5.760421      -5.371481      13.45350      23.45214 8.902023 21.13467 10.23647 2.317474       13.56581 
1 1 1 32 3  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 3  25 o 44.43109 6.303595 24.35657       5.469956      21.04102       6.514214      27.66504       8.791886      42.09819 8.025161 46.76398 9.723066 -4.665787      12.60719 
1 1 1 32 3  26 o 34.97497 6.128676 16.02518       4.444827      9.889987       5.822765      22.16037       6.717540      27.55031 9.097169 42.39962 8.214877 -14.84931      12.25735 
1 1 1 32 3  27 o 18.08820 5.740884 0.2173530      4.393109      -3.216371      5.734209      3.651361       6.657322      15.38748 7.228437 20.78892 8.920800 -5.401442      11.48177 
1 1 1 32 3  28 o 19.51810 5.935094 2.364812       4.415780      6.099061       5.951704      -1.368729      6.525549      22.03158 8.847973 17.00462 7.912948 5.026962       11.87019 
1 1 1 32 4  0  o 11.89392 8.257538 -4.172073      6.376774      -4.172073      6.376774      -4.172073      6.376774      11.89392 8.257538 11.89392 8.257538 0.000000       0.000000 
1 1 1 32 4  1  o 111.3881 2.846463 125.3251       6.337809      118.1698       8.862731      132.4805       9.061099      108.1876 4.096003 114.5886 3.953754 -6.400978      5.692926 
1 1 1 32 4  2  o 78.13901 3.396953 61.89743       5.304179      65.14922       7.559181      58.65273       7.445828      80.20977 4.712132 76.06824 4.894177 4.141533       6.793906 
1 1 1 32 4  3  o 61.97379 4.000287 39.76540       4.862104      50.08754       7.063973      29.43617       6.682117      70.27468 5.025973 53.67291 6.224851 16.60177       8.000573 
1 1 1 32 4  4  f 41.47260 5.381786 18.08677       4.367605      16.01810       6.009089      20.16254       6.339935      38.66679 8.037459 44.27841 7.159172 -5.611622      10.76357 
1 1 1 32 4  5  o 54.63366 4.187525 30.55552       4.555345      26.38983       6.308055      34.72831       6.574432      50.83946 6.203896 58.42785 5.626112 -7.588387      8.375051 
1 1 1 32 4  6  o 103.8647 2.789931 108.8182       5.794427      112.2896       8.203872      105.3468       8.182618      105.5347 3.886811 102.1948 4.003443 3.339966       5.579862 
1 1 1 32 4  7  o 53.16426 4.244819 28.92608       4.473165      32.48251       6.176991      25.36966       6.471707      56.53302 5.463171 49.79549 6.498287 6.737534       8.489638 
1 1 1 32 4  8  o 59.21251 3.937284 35.68472       4.665155      34.30323       6.407947      37.07328       6.782009      58.07236 5.517208 60.35266 5.618649 -2.280296      7.874567 
1 1 1 32 4  9  o 170.8112 2.503886 293.9366       8.551013      294.9993       12.07910      292.8740       12.11453      171.1242 3.529339 170.4983 3.552682 0.6258698      5.007772 
1 1 1 32 4  10 o 95.80980 2.872005 92.80718       5.498294      98.75818       7.849646      86.92703       7.700871      98.88744 3.968981 92.73217 4.152211 6.155266       5.744011 
1 1 1 32 4  11 o 51.44051 4.548553 27.83507       4.737417      19.47534       5.588976      36.19481       7.651280      43.53632 6.418751 59.34471 6.446471 -15.80839      9.097107 
1 1 1 32 4  12 f 74.89130 3.542341 57.10121       5.328265      55.13881       6.272632      59.05655       8.614774      73.78817 4.250432 75.99444 5.668029 -2.206268      7.084682 
1 1 1 32 4  13 o 50.17814 4.644448 26.00018       4.677198      25.19254       5.506087      26.80073       7.559181      49.62603 5.547580 50.73026 7.450366 -1.104233      9.288897 
1 1 1 32 4  14 o 26.20558 6.450439 6.811764       4.302428      2.965579       5.172406      10.65512       6.876941      21.08470 8.324203 31.32647 9.855977 -10.24177      12.90088 
1 1 1 32 4  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 4  16 o 32.74340 6.387142 11.68946       4.544718      14.84206       5.637859      8.529759       7.127024      36.76731 7.894293 28.71949 10.04303 8.047819       12.77428 
1 1 1 32 4  17 o 57.80412 4.202435 34.64329       4.776382      37.99427       5.882275      31.29940       7.523758      60.93661 4.826553 54.67164 6.880860 6.264969       8.404871 
1 1 1 32 4  18 o 23.58474 6.210801 3.901444       4.461121      -3.449452      5.199328      11.25021       7.254546      15.55340 7.170306 31.61609 10.14312 -16.06269      12.42160 
1 1 1 32 4  19 o 54.26613 4.326810 30.83182       4.709787      29.64871       5.800803      32.01493       7.424574      53.48307 5.423028 55.04919 6.743582 -1.566120      8.653620 
1 1 1 32 4  20 o 31.16325 6.717416 11.39190       4.583683      9.684536       6.030342      13.09219       6.904571      29.05877 9.240241 33.26774 9.752573 -4.208975      13.43483 
1 1 1 32 4  21 o 44.61112 6.597785 22.67754       5.800095      26.16313       6.077100      19.19196       9.882903      49.83762 6.096900 39.38463 11.70260 10.45299       13.19557 
1 1 1 32 4  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 4  23 o 36.53734 7.167353 18.61811       5.742710      10.14503       5.598895      27.09119       10.03168      28.57946 8.873512 44.49522 11.25809 -15.91576      14.33471 
1 1 1 32 4  24 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 4  25 o 40.50922 6.251317 21.09061       5.115022      13.21971       5.567014      28.96151       8.579351      32.77531 8.442884 48.24313 9.221363 -15.46782      12.50263 
1 1 1 32 4  26 o 24.79953 6.485501 6.801137       4.710496      9.748297       5.443035      3.855394       7.686701      27.46148 8.783471 22.13758 9.544504 5.323900       12.97100 
1 1 1 32 4  27 o 21.31676 6.011221 4.589351       4.050219      1.231998       5.729958      7.948828       5.724998      18.14154 8.019522 24.49199 8.956918 -6.350449      12.02244 
1 1 1 32 4  28 o 24.32199 6.084966 7.601687       4.211746      13.92816       6.127400      1.271671       5.779550      30.86461 9.223545 17.77936 7.939361 13.08524       12.16993 
1 1 1 32 5  0  o 69.67396 5.202762 49.71206       7.169532      49.71206       7.169532      49.71206       7.169532      69.67396 5.202762 69.67396 5.202762 0.000000       0.000000 
1 1 1 32 5  1  o 105.7019 2.900386 112.7855       6.130942      111.0852       8.579351      114.4858       8.763549      104.9082 4.088980 106.4957 4.114510 -1.587463      5.800771 
1 1 1 32 5  2  o 47.76646 4.735305 23.47809       4.485208      26.53860       6.259171      20.41758       6.425658      50.98542 6.138198 44.54751 7.212141 6.437908       9.470610 
1 1 1 32 5  3  f 90.12441 3.049878 82.39294       5.472082      93.01972       7.828392      71.76617       7.644195      96.00916 4.076899 84.23966 4.537171 11.76950       6.099756 
1 1 1 32 5  4  f 87.13727 3.046288 76.79617       5.308429      82.32210       7.729208      71.27025       7.282885      90.28189 4.280598 83.99265 4.335430 6.289246       6.092575 
1 1 1 32 5  5  o 54.17586 4.238996 29.93209       4.592185      31.17188       6.558846      28.69938       6.428492      55.30621 5.929575 53.04551 6.059412 2.260700       8.477991 
1 1 1 32 5  6  o 41.60313 5.492122 18.23555       4.465372      16.07477       6.277591      20.39633       6.351979      38.65879 8.356107 44.54746 7.129451 -5.888676      10.98424 
1 1 1 32 5  7  o 94.09512 2.885601 89.33577       5.430283      91.03606       7.736294      87.70633       7.622942      94.97331 4.072877 93.21692 4.088819 1.756393       5.771202 
1 1 1 32 5  8  o 19.36379 5.878448 -0.5897153E-01 4.150819      -2.614187      5.026465      2.495876       6.607729      16.03170 7.270014 22.69588 9.239670 -6.664177      11.75690 
1 1 1 32 5  9  o 35.20802 6.263617 13.63770       4.472456      10.54885       5.454370      16.72655       7.091603      31.26078 8.501008 39.15525 9.201328 -7.894478      12.52723 
1 1 1 32 5  10 f 22.81590 6.021108 2.118979       4.281174      7.658363       5.251753      -3.416863      6.762880      27.12345 8.622945 18.50835 8.405937 8.615103       12.04222 
1 1 1 32 5  11 o 87.09799 3.212368 77.07955       5.648486      70.76016       6.717540      83.38477       9.082352      83.65811 4.014876 90.53788 5.015774 -6.879768      6.424735 
1 1 1 32 5  12 o 62.61076 4.401589 40.72889       5.693827      32.68088       5.885818      48.77691       9.748297      56.61837 5.197798 68.60313 7.104848 -11.98476      8.803179 
1 1 1 32 5  13 o 130.3215 2.762291 171.8704       7.233293      165.4235       8.536844      178.3882       11.68237      128.0697 3.332890 132.5734 4.406002 -4.503662      5.524582 
1 1 1 32 5  14 o 32.71675 5.424051 10.81806       4.835892      -4.271964      5.597477      25.90100       7.885069      15.89808 7.371247 49.53541 7.959022 -33.63733      10.84810 
1 1 1 32 5  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 5  16 o 22.81062 6.391422 3.516755       4.395235      4.131691       5.516006      2.901819       6.843644      22.65055 8.677926 22.97068 9.385879 -0.3201294     12.78284 
1 1 1 32 5  17 o 28.46393 6.671554 8.685618       4.486625      8.430575       5.427449      8.933578       7.148279      27.83883 8.755324 29.08902 10.06890 -1.250195      13.34311 
1 1 1 32 5  18 o 92.65457 3.730643 88.62732       6.772799      94.93254       7.282885      82.39294       11.42024      96.64232 3.767958 88.66682 6.439975 7.975494       7.461286 
1 1 1 32 5  19 o 18.42980 5.884110 -2.515004      4.791259      -0.3115063     5.139110      -4.718997      8.090520      17.61802 7.700957 19.24157 8.898667 -1.623550      11.76822 
1 1 1 32 5  20 o 44.24770 6.088031 22.13912       5.272298      22.37999       5.505378      21.90533       8.990252      46.03753 5.979229 42.45788 10.60685 3.579647       12.17606 
1 1 1 32 5  21 f 57.63148 5.577322 36.58445       6.080641      38.51852       6.489419      34.64329       10.28672      60.76265 5.339973 54.50032 9.793404 6.262329       11.15464 
1 1 1 32 5  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 5  23 f 22.87580 6.586132 3.617355       5.074640      5.520965       5.413280      1.713036       8.586436      23.14102 8.668271 22.61059 9.918146 0.5304356      13.17226 
1 1 1 32 5  24 o 17.12159 5.660320 -3.461496      4.927282      -2.349935      5.279383      -4.573056      8.324308      15.71858 7.238358 18.52460 8.704198 -2.806020      11.32064 
1 1 1 32 5  25 o 22.26527 6.204556 5.091643       4.162154      1.785298       5.056221      8.395153       6.611980      18.45636 7.842196 26.07418 9.616966 -7.617819      12.40911 
1 1 1 32 5  26 o 20.53648 5.955355 3.745585       4.011962      0.4914530      5.045594      7.000212       6.239335      17.08703 7.542977 23.98592 9.217835 -6.898884      11.91071 
1 1 1 32 5  27 o 29.23826 6.457632 11.93741       4.224498      11.74613       5.425323      12.12869       6.476666      29.47956 8.645907 28.99696 9.594389 0.4826050      12.91526 
1 1 1 32 5  28 o 18.71950 5.905390 1.769004       4.587225      4.313055       6.339226      -0.7743379     6.632525      20.25620 8.699070 17.18281 7.988787 3.073395       11.81078 
1 1 1 32 6  0  o 26.42516 11.28067 10.18045       6.037426      10.18045       6.037426      10.18045       6.037426      26.42516 11.28067 26.42516 11.28067 0.000000       0.000000 
1 1 1 32 6  1  o 20.79841 6.096995 1.453743       4.160029      1.892983       5.999878      1.015211       5.764672      21.36930 8.769339 20.22752 8.473021 1.141783       12.19399 
1 1 1 32 6  2  o 39.16736 5.643620 16.42900       4.269130      14.89166       6.021840      17.96634       6.052303      37.20481 8.305372 41.12991 7.643466 -3.925091      11.28724 
1 1 1 32 6  3  o 28.48665 6.315056 8.246379       4.193326      12.14995       6.167781      4.335016       5.681783      33.53798 9.004034 23.43532 8.857036 10.10266       12.63011 
1 1 1 32 6  4  o 47.41097 4.598013 23.08844       4.354145      26.10645       6.397319      20.07752       5.908488      50.54691 6.328102 44.27503 6.672483 6.271881       9.196026 
1 1 1 32 6  5  o 25.85174 6.013072 5.168156       4.399486      -3.797301      5.233334      14.13361       7.073183      15.65645 7.208475 36.04704 9.626319 -20.39058      12.02614 
1 1 1 32 6  6  o 60.18186 4.169615 36.93159       4.986084      38.47602       6.131650      35.39425       7.863815      61.60310 4.976738 58.76062 6.691399 2.842484       8.339230 
1 1 1 32 6  7  o 56.09129 4.288005 32.15663       4.837308      30.58386       5.807179      33.72939       7.736294      54.85835 5.292886 57.32424 6.747838 -2.465893      8.576010 
1 1 1 32 6  8  o 68.13635 3.710732 47.21123       5.028590      48.89734       6.160697      45.53220       7.948828      69.51205 4.431387 66.76064 5.953230 2.751411       7.421465 
1 1 1 32 6  9  o 18.82271 5.832977 -1.076847      4.252128      -0.1219954     5.312680      -2.031840      6.641027      18.44971 7.944458 19.19571 8.542838 -0.7460022     11.66595 
1 1 1 32 6  10 o 28.24398 6.394863 7.622942       4.410112      10.84640       5.299220      4.397360       7.050512      31.62880 8.280339 24.85917 9.747465 6.769630       12.78973 
1 1 1 32 6  11 o 44.38459 5.439156 20.87807       4.626898      22.74130       5.516006      19.01485       7.431659      47.12098 5.853025 41.64821 9.169501 5.472767       10.87831 
1 1 1 32 6  12 o 36.08792 5.875828 13.09219       4.906737      23.15929       5.647778      3.021547       8.026759      47.50219 5.944756 24.67366 10.13712 22.82852       11.75166 
1 1 1 32 6  13 o 63.52805 3.938494 41.38067       5.001670      41.18938       5.873065      41.56487       8.097604      63.62936 4.615059 63.42675 6.383430 0.2026024      7.876988 
1 1 1 32 6  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 6  15 o 26.13599 6.815389 5.899987       5.100144      -0.7050512     6.000587      12.50417       8.246379      18.87186 8.284621 33.40011 10.82419 -14.52825      13.63078 
1 1 1 32 6  16 o 105.4840 2.996627 113.2814       6.348436      108.8890       7.707955      117.6030       10.08835      103.6609 3.717869 107.3070 4.700695 -3.646111      5.993253 
1 1 1 32 6  17 o 51.43181 7.581055 30.25797       7.849646      30.65471       6.072140      29.85416       14.48075      54.41346 5.579631 48.45016 14.09813 5.963299       15.16211 
1 1 1 32 6  18 o 83.61405 3.915124 72.47462       6.408655      77.92970       6.995253      67.02662       10.74013      87.45837 3.999190 79.76973 6.731958 7.688644       7.830248 
1 1 1 32 6  19 o 57.50999 5.601804 36.68364       5.695952      45.27715       6.048761      28.08303       9.656199      66.28402 4.562760 48.73595 10.23240 17.54807       11.20361 
1 1 1 32 6  20 o 24.88848 6.810645 5.601728       4.999545      5.466414       5.292843      5.737751       8.487252      23.54305 8.611997 26.23391 10.55334 -2.690866      13.62129 
1 1 1 32 6  21 o 29.15439 7.176114 9.627860       5.638568      11.56193       5.944619      7.693786       9.585353      30.88195 9.048005 27.42684 11.14092 3.455111       14.35223 
1 1 1 32 6  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 6  23 o 23.34530 10.66317 -0.8551012     11.20062      -0.8551012     11.20062      ?              ?             23.34530 10.66317 ?        ?        ?              ?        
1 1 1 32 6  24 o 22.78531 6.112690 4.208204       4.286133      8.480167       5.392026      -0.6505004E-01 6.663697      26.44301 8.754221 19.12762 8.533671 7.315392       12.22538 
1 1 1 32 6  25 o 39.37854 5.756444 18.85190       4.446952      20.65137       5.608813      17.05243       6.902445      42.74279 6.561121 36.01429 9.460353 6.728504       11.51289 
1 1 1 32 6  26 o 30.50361 6.409093 12.49000       4.352019      15.26714       5.887943      9.712874       6.410780      34.27095 8.597363 26.73627 9.507431 7.534681       12.81819 
1 1 1 32 6  27 o 23.29209 6.185183 6.371107       4.327223      0.1805844      5.717914      12.56085       6.495794      17.24746 7.791125 29.33672 9.608554 -12.08925      12.37037 
1 1 1 32 7  0  o 15.73789 9.582318 2.572388       5.539385      2.572388       5.539385      2.572388       5.539385      15.73789 9.582318 15.73789 9.582318 0.000000       0.000000 
1 1 1 32 7  1  f 39.38681 5.891475 16.38649       4.588642      17.90966       5.430283      14.86332       7.396237      41.84297 6.488884 36.93065 9.835258 4.912319       11.78295 
1 1 1 32 7  2  o 20.02601 6.042319 0.2743125      4.337142      -2.202577      5.202161      2.751626       6.941411      16.67184 7.486238 23.38017 9.486556 -6.708326      12.08464 
1 1 1 32 7  3  o 78.17487 3.432483 61.90452       5.368648      61.50070       6.650237      62.30834       8.430575      78.03443 4.261092 78.31529 5.382458 -0.2808609     6.864966 
1 1 1 32 7  4  o 34.84047 6.276754 13.20554       4.440576      11.46275       5.292843      14.95542       7.134109      32.63237 8.130185 37.04856 9.565075 -4.416191      12.55351 
1 1 1 32 7  5  o 55.33873 4.360122 31.29940       4.780632      32.92884       5.773882      29.66996       7.622942      56.96983 5.067492 53.70763 7.096703 3.262199       8.720244 
1 1 1 32 7  6  o 65.23654 3.767498 43.28640       4.939326      41.42318       5.977208      45.15672       7.863815      63.95252 4.673161 66.52056 5.910816 -2.568043      7.534997 
1 1 1 32 7  7  o 40.90758 5.745855 18.05844       4.530550      24.79581       5.613063      11.32814       7.112856      49.30914 5.691707 32.50602 9.983179 16.80312       11.49171 
1 1 1 32 7  8  o 52.94836 4.962083 29.76914       4.752295      37.85966       5.800803      21.67154       7.530843      61.09096 4.747677 44.80576 8.714850 16.28520       9.924166 
1 1 1 32 7  9  o 67.60280 3.710350 47.65047       5.097310      33.30432       5.910613      62.00370       8.310139      57.20085 5.166543 78.00475 5.326688 -20.80391      7.420700 
1 1 1 32 7  10 o 108.9765 2.894561 120.1534       6.294595      121.9245       7.686701      118.3823       9.967916      109.9506 3.495523 108.0023 4.614677 1.948334       5.789122 
1 1 1 32 7  11 o 68.02640 3.776904 47.24665       5.147611      46.29733       6.195411      48.20306       8.225125      67.52319 4.587617 68.52960 6.001147 -1.006416      7.553807 
1 1 1 32 7  12 o 71.90631 3.569246 53.10555       5.212788      44.47660       6.127400      61.73449       8.437660      66.13586 4.632434 77.67677 5.431264 -11.54092      7.138492 
1 1 1 32 7  13 o 85.71442 6.064773 80.76351       10.50634      53.01345       12.25622      108.4640       17.07369      70.46375 8.696824 100.9651 8.455244 -30.50134      12.12955 
1 1 1 32 7  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 7  15 o 38.72919 6.761623 17.08077       5.386359      13.88566       5.530175      20.27589       9.245295      35.55283 7.974863 41.90556 10.92153 -6.352722      13.52325 
1 1 1 32 7  16 o 62.39505 5.068118 41.18938       6.056554      47.91968       7.012255      34.46618       9.875818      68.29107 5.134095 56.49903 8.739813 11.79204       10.13624 
1 1 1 32 7  17 o 51.34485 5.911463 28.83399       5.728541      31.04436       5.988543      26.63070       9.769550      54.77858 5.466136 47.91113 10.48346 6.867455       11.82293 
1 1 1 32 7  18 o 56.75229 4.988895 34.23239       5.603145      34.96918       6.084892      33.48852       9.408240      58.12783 5.234061 55.37675 8.494757 2.751083       9.977790 
1 1 1 32 7  19 o 42.31830 6.312243 20.44592       5.278674      24.86666       5.747669      16.01810       8.855647      48.55835 5.918312 36.07825 11.15129 12.48011       12.62449 
1 1 1 32 7  20 o 26.13934 6.303189 3.914196       5.117856      11.85240       5.622982      -4.024006      8.551013      32.17825 8.578301 20.10044 9.237613 12.07781       12.60638 
1 1 1 32 7  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 7  22 o 33.50053 6.882623 15.02626       4.911696      13.23388       6.199661      16.82573       7.622942      31.90752 9.205353 35.09354 10.23443 -3.186014      13.76525 
1 1 1 32 7  23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 7  24 o 56.25723 4.667391 35.30215       5.155404      40.31799       6.932201      30.28631       7.630026      61.00649 5.681527 51.50796 7.406647 9.498531       9.334783 
1 1 1 32 7  25 o 44.67717 5.364750 23.72605       4.643193      24.68246       6.064347      22.77672       7.032093      46.66685 6.497488 42.68748 8.538433 3.979374       10.72950 
1 1 1 32 7  26 o 19.15872 5.877757 2.200451       4.198994      2.731790       5.559929      1.669112       6.293177      19.23985 8.200754 19.07759 8.422573 0.1622658      11.75551 
1 1 1 32 7  27 o 37.14165 6.225531 19.01485       4.637525      22.75547       6.302387      15.28131       6.805388      42.28360 7.740768 31.99969 9.752406 10.28390       12.45106 
1 1 1 32 8  0  f 134.1124 3.786312 181.0094       10.13795      181.0094       10.13795      181.0094       10.13795      134.1124 3.786312 134.1124 3.786312 0.000000       0.000000 
1 1 1 32 8  1  o 43.02284 5.487865 19.75164       4.569514      14.70037       6.277591      24.79581       6.641736      36.87476 8.651813 49.17091 6.753724 -12.29615      10.97573 
1 1 1 32 8  2  o 52.69294 4.497476 28.48685       4.707662      25.24214       6.748711      31.73155       6.565223      49.59770 6.803452 55.78819 5.884062 -6.190483      8.994951 
1 1 1 32 8  3  f 48.93187 4.802794 24.63287       4.680741      22.11786       6.617648      27.15496       6.621899      46.35876 7.137431 51.50498 6.428406 -5.146225      9.605588 
1 1 1 32 8  4  o 58.08079 4.077105 34.67871       4.788426      28.38058       5.858188      40.98394       7.573349      52.80074 5.547449 63.36084 5.976365 -10.56010      8.154209 
1 1 1 32 8  5  o 34.29192 6.074543 13.26930       4.602103      4.411529       5.418239      22.12495       7.438744      23.18008 8.674352 45.40375 8.506228 -22.22367      12.14909 
1 1 1 32 8  6  o 23.70368 6.487510 4.214580       4.407987      2.874189       5.393443      5.554970       6.973290      21.42937 8.487569 25.97800 9.813883 -4.548634      12.97502 
1 1 1 32 8  7  o 63.82035 3.910380 41.62154       5.031425      37.98718       6.168490      45.25590       7.948828      61.13231 5.045197 66.50840 5.975809 -5.376095      7.820761 
1 1 1 32 8  8  o 28.68713 5.972591 7.530843       4.267005      13.46767       5.251753      1.599684       6.727458      35.36847 7.641209 22.00579 9.181464 13.36268       11.94518 
1 1 1 32 8  9  o 45.55227 5.388794 22.01160       4.646027      25.17129       5.596769      18.85899       7.417490      49.62239 5.639359 41.48215 9.184446 8.140244       10.77759 
1 1 1 32 8  10 o 48.22552 5.057856 25.12878       4.794801      16.66987       5.740584      33.58770       7.679617      39.43140 7.548401 57.01965 6.734185 -17.58825      10.11571 
1 1 1 32 8  11 o 41.13813 6.635330 18.85190       5.554970      15.59302       5.484834      22.11078       9.663282      38.09052 7.465905 44.18573 10.97136 -6.095207      13.27066 
1 1 1 32 8  12 o 39.72741 5.938893 17.05243       4.653111      20.31840       5.469956      13.78647       7.530843      44.35641 6.165913 35.09841 10.15201 9.258003       11.87779 
1 1 1 32 8  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 8  14 o 39.39516 7.170454 17.48459       5.909196      18.63937       6.447619      16.33690       9.904156      41.24749 8.104581 37.54282 11.83120 3.704678       14.34091 
1 1 1 32 8  15 o 71.48582 4.478912 53.31808       6.126691      61.32359       6.706913      45.30549       10.25838      77.60332 4.321280 65.36831 7.846602 12.23502       8.957825 
1 1 1 32 8  16 o 78.21645 4.293776 63.73941       6.675741      64.92960       7.644195      62.54921       10.94558      79.53721 4.805421 76.89569 7.117161 2.641518       8.587552 
1 1 1 32 8  17 o 43.69893 6.393780 21.27481       5.559221      20.80014       5.766089      21.74947       9.507423      44.52123 6.475662 42.87663 11.02667 1.644604       12.78756 
1 1 1 32 8  18 o 44.16638 6.203716 21.98326       5.327558      24.15112       5.827016      19.82248       8.919409      47.87490 6.085669 40.45786 10.81245 7.417049       12.40743 
1 1 1 32 8  19 o 25.44299 6.601809 5.686034       5.024340      -2.964162      5.642110      14.33906       8.317224      16.45633 7.538001 34.42964 10.84039 -17.97331      13.20362 
1 1 1 32 8  20 o 58.04039 4.594669 36.22314       5.282216      39.73706       7.127024      32.71630       7.800055      61.25336 5.817660 54.82741 7.113280 6.425957       9.189338 
1 1 1 32 8  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 8  22 o 69.52821 4.148159 52.18456       5.807888      44.80249       7.332476      59.55954       9.011506      64.75005 5.662140 74.30639 6.063750 -9.556343      8.296318 
1 1 1 32 8  23 o 43.06851 5.707981 22.57836       4.838726      15.13253       6.099061      30.03127       7.516674      34.88684 8.749096 51.25018 7.333314 -16.36334      11.41596 
1 1 1 32 8  24 o 37.30740 6.210312 17.43500       4.571640      18.15053       6.113939      16.71946       6.798304      38.62494 8.166283 35.98987 9.358619 2.635071       12.42062 
1 1 1 32 8  25 o 24.95906 6.484850 7.913406       4.255670      7.190785       5.639277      8.636027       6.375357      24.13055 8.883264 25.78756 9.449908 -1.657011      12.96970 
1 1 1 32 8  26 o 15.57850 5.181064 -3.001002      4.141609      -3.666946      5.514588      -2.334348      6.180533      14.79761 6.992915 16.35938 7.646752 -1.561765      10.36213 
1 1 1 32 8  27 o 46.27941 6.206084 29.62745       5.608813      24.56911       6.627566      34.67871       9.054014      43.35802 7.938491 49.20079 9.541608 -5.842766      12.41217 
1 1 1 32 9  0  o 13.70175 8.967672 -0.1487040     5.868815      -0.1487040     5.868815      -0.1487040     5.868815      13.70175 8.967672 13.70175 8.967672 0.000000       0.000000 
1 1 1 32 9  1  o 22.86557 6.378965 3.112229       4.380357      5.322598       6.239335      0.9018591      6.150779      25.05891 9.322105 20.67224 8.709946 4.386667       12.75793 
1 1 1 32 9  2  o 22.60948 6.136089 2.764379       4.196160      -1.625188      5.879441      7.155363       5.988543      18.26595 8.092694 26.95301 9.225760 -8.687065      12.27218 
1 1 1 32 9  3  f 60.72010 4.078124 37.86674       4.909571      31.66071       6.864190      44.07278       7.021466      55.62349 6.170226 65.81670 5.334106 -10.19321      8.156248 
1 1 1 32 9  4  o 57.82867 4.154180 34.48035       4.748752      41.18230       6.823099      27.77839       6.605605      63.60359 5.363769 52.05376 6.344984 11.54984       8.308359 
1 1 1 32 9  5  o 82.89531 3.315731 69.74708       5.496878      73.60814       7.913406      65.87185       7.630026      85.20713 4.643630 80.58349 4.734237 4.623642       6.631463 
1 1 1 32 9  6  o 61.22829 4.041310 38.66730       4.906028      31.04436       6.711164      46.29024       7.155363      55.04487 6.096085 67.41171 5.307212 -12.36684      8.082620 
1 1 1 32 9  7  o 61.86037 4.069406 39.23406       5.022923      35.24548       6.998086      43.21556       7.204955      58.65964 5.964993 65.06110 5.537068 -6.401459      8.138812 
1 1 1 32 9  8  o 93.36711 3.122566 88.41478       5.832684      86.99788       8.111773      89.76084       8.380984      92.64827 4.377725 94.08595 4.453898 -1.437675      6.245133 
1 1 1 32 9  9  o 71.09725 3.602470 51.53278       5.117856      53.55895       7.169532      49.49952       7.304138      72.53723 4.941967 69.65727 5.242911 2.879959       7.204939 
1 1 1 32 9  10 o 39.03461 5.674281 16.55652       4.298885      14.83498       5.596061      18.28514       6.527675      37.01313 7.803360 41.05609 8.239990 -4.042957      11.34856 
1 1 1 32 9  11 o 39.19006 7.542268 18.61103       6.650945      10.02459       5.185159      27.19038       12.24913      30.27549 8.313295 48.10462 12.58699 -17.82913      15.08454 
1 1 1 32 9  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 9  13 o 34.15019 7.436702 13.23388       6.352687      2.036090       7.226208      24.43450       10.44966      22.65203 9.487461 45.64835 11.45453 -22.99631      14.87340 
1 1 1 32 9  14 o 26.04259 7.061924 5.527341       5.443744      5.967998       5.455787      5.085975       9.422408      24.75272 8.773891 27.33247 11.06806 -2.579752      14.12385 
1 1 1 32 9  15 o 69.92429 4.644935 51.53278       6.151486      61.21732       6.915907      41.84825       10.17337      77.39653 4.467840 62.45205 8.144942 14.94448       9.289870 
1 1 1 32 9  16 o 25.34800 7.220979 0.6936451      6.961247      7.417490       6.021840      -6.031758      12.55377      26.67949 9.240930 24.01651 11.09844 2.662985       14.44196 
1 1 1 32 9  17 o 19.61134 6.041418 -0.2675114     4.520631      1.300717       5.843310      -1.836307      6.899612      20.02072 8.465035 19.20197 8.621956 0.8187523      12.08284 
1 1 1 32 9  18 o 20.56047 6.183363 1.392816       4.475998      2.125355       5.907071      0.6605604      6.725333      20.64218 8.607407 20.47876 8.879665 0.1634197      12.36673 
1 1 1 32 9  19 o 36.19218 6.209481 13.92108       5.359438      23.83940       6.393777      4.002044       8.600604      47.29802 6.759034 25.08635 10.41855 22.21167       12.41896 
1 1 1 32 9  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 9  21 o 24.75030 6.813640 7.112856       5.227666      0.3988583      6.672907      13.82190       8.048012      18.83679 8.467756 30.66381 10.67707 -11.82702      13.62728 
1 1 1 32 9  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 9  23 o 51.16809 4.858603 29.62745       4.994585      23.59144       6.322932      35.66346       7.736294      45.88581 6.889856 56.45038 6.852296 -10.56457      9.717205 
1 1 1 32 9  24 o 35.81151 6.206588 16.54943       4.461830      12.92216       5.653445      20.17671       6.903862      31.81071 8.656625 39.81231 8.896617 -8.001604      12.41318 
1 1 1 32 9  25 o 36.76887 6.008310 17.47042       4.385316      19.24155       5.540801      15.69221       6.799012      39.96815 7.193692 33.56959 9.625484 6.398563       12.01662 
1 1 1 32 9  26 o 26.81074 6.057652 9.075267       4.319431      15.04752       5.648486      3.109395       6.535468      33.60865 8.414388 20.01283 8.716577 13.59583       12.11530 
1 1 1 32 10 0  o 52.44393 6.374191 29.04653       6.522007      29.04653       6.522007      29.04653       6.522007      52.44393 6.374191 52.44393 6.374191 0.000000       0.000000 
1 1 1 32 10 1  o 48.86170 4.769593 24.58328       4.655237      23.33640       6.611272      25.83724       6.555304      47.57610 6.948102 50.14730 6.536050 -2.571198      9.539186 
1 1 1 32 10 2  o 132.0890 2.706960 176.1920       7.155363      182.7806       10.29380      169.6034       9.932493      134.5606 3.824970 129.6174 3.831467 4.943237       5.413921 
1 1 1 32 10 3  o 53.18119 4.484661 29.03944       4.763630      30.37841       6.660155      27.70755       6.811764      54.45249 6.115566 51.90989 6.561143 2.542599       8.969322 
1 1 1 32 10 4  o 80.78831 3.346059 66.26150       5.404070      68.44353       7.693786      64.07946       7.594603      82.13094 4.683854 79.44569 4.779745 2.685249       6.692118 
1 1 1 32 10 5  o 32.76275 6.529832 11.63278       4.576599      14.89874       6.470290      8.359732       6.474541      36.91989 8.861868 28.60562 9.592815 8.314276       13.05966 
1 1 1 32 10 6  o 17.37383 5.591322 -4.364771      4.407279      -0.3636483     6.196828      -8.366816      6.268381      19.64748 8.521485 15.10018 7.241258 4.547299       11.18264 
1 1 1 32 10 7  o 70.39768 3.738602 50.55512       5.261672      50.64722       7.297054      50.46302       7.587519      70.49072 5.175897 70.30465 5.396171 0.1860657      7.477203 
1 1 1 32 10 8  o 22.35793 6.517684 1.966662       4.789134      3.326890       6.050887      0.6071431      7.424574      22.62725 8.981166 22.08860 9.447725 0.5386467      13.03537 
1 1 1 32 10 9  o 30.88278 6.415681 9.975000       4.932950      0.6132358      5.976499      19.34073       7.849646      20.02122 8.517143 41.74434 9.596985 -21.72312      12.83136 
1 1 1 32 10 10 o 57.43830 4.853951 34.89833       5.628649      26.17021       6.842936      43.61938       8.940661      50.15570 6.821693 64.72089 6.907090 -14.56519      9.707903 
1 1 1 32 10 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 10 12 o 33.68120 12.34566 11.99409       10.88182      11.99409       10.88182      ?              ?             33.68120 12.34566 ?        ?        ?              ?        
1 1 1 32 10 13 o 17.12510 5.657723 -8.529759      5.136983      -1.691074      6.828058      -15.36632      7.679617      19.47234 8.664228 14.77787 7.278082 4.694467       11.31545 
1 1 1 32 10 14 o 56.96446 4.994336 34.21822       5.691702      31.88033       7.828392      36.55611       8.260548      54.99391 7.117509 58.93502 7.008183 -3.941109      9.988672 
1 1 1 32 10 15 o 20.53048 6.221875 0.3035716      4.676490      3.524548       7.015798      -2.917404      6.186202      23.49091 9.534986 17.57005 7.995684 5.920858       12.44375 
1 1 1 32 10 16 o 22.94644 6.475680 2.533424       4.830225      7.899237       7.049096      -2.833099      6.604896      27.67550 9.956665 18.21737 8.282665 9.458128       12.95136 
1 1 1 32 10 17 o 81.17215 3.728598 68.74107       6.017590      64.15739       8.947746      73.32476       8.048012      78.16911 5.723326 84.17519 4.780513 -6.006081      7.457195 
1 1 1 32 10 18 o 26.75240 6.024723 4.510713       4.851478      -6.947787      6.952746      15.96850       6.769256      16.45963 7.813043 37.04517 9.173084 -20.58554      12.04945 
1 1 1 32 10 19 o 84.63396 3.955177 76.44194       6.707621      79.98421       10.02459      72.97054       8.912323      86.37250 5.803116 82.89541 5.375643 3.477089       7.910354 
1 1 1 32 10 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 10 21 o 47.16593 5.477568 25.54677       5.025757      30.48468       7.467082      20.60886       6.728875      52.42937 7.121087 41.90250 8.324969 10.52687       10.95514 
1 1 1 32 10 22 o 27.56816 6.096072 8.083434       4.556762      -0.1047092     6.590727      16.27314       6.293886      18.93773 8.466850 36.19858 8.772732 -17.26085      12.19214 
1 1 1 32 10 23 o 36.03574 6.244520 16.37940       4.517797      13.31181       6.461789      19.44700       6.315140      32.00296 9.451581 40.06851 8.163563 -8.065544      12.48904 
1 1 1 32 10 24 o 14.73596 4.972827 -6.677866      4.250002      -11.62569      6.180533      -1.727914      5.835517      12.85392 6.374021 16.61799 7.634651 -3.764066      9.945654 
1 1 1 32 10 25 o 29.63208 6.784541 12.69546       4.646027      15.62845       7.091603      9.762465       6.004838      32.72962 9.951501 26.53454 9.224295 6.195076       13.56908 
1 1 1 32 10 26 o 20.12438 6.097635 3.902152       4.412238      3.677573       6.700537      4.126731       5.742710      20.21408 8.814886 20.03469 8.427479 0.1793938      12.19527 
1 1 1 32 11 0  o 56.34669 6.400064 33.38933       7.052638      33.38933       7.052638      33.38933       7.052638      56.34669 6.400064 56.34669 6.400064 0.000000       0.000000 
1 1 1 32 11 1  o 39.55218 5.887173 16.96033       4.514963      15.21046       6.363315      18.71730       6.407947      37.35386 8.676113 41.75050 7.959917 -4.396648      11.77435 
1 1 1 32 11 2  o 55.02682 4.422624 31.27814       4.833058      26.38983       6.721082      36.17355       6.947078      50.60608 6.640587 59.44756 5.843030 -8.841480      8.845247 
1 1 1 32 11 3  o 82.87439 3.313183 69.91003       5.473498      77.29209       7.807138      62.55629       7.672533      87.30863 4.471001 78.44014 4.890693 8.868492       6.626366 
1 1 1 32 11 4  o 62.26524 4.077329 39.72997       5.070390      36.86074       7.119940      42.60629       7.219123      59.96848 5.936403 64.56200 5.590846 -4.593529      8.154657 
1 1 1 32 11 5  o 121.0013 2.830592 148.2789       6.853562      138.2898       9.344479      158.2681       10.03168      116.9234 3.995985 125.0793 4.010127 -8.155930      5.661185 
1 1 1 32 11 6  o 33.48173 6.830422 12.42624       5.080307      6.612689       6.387401      18.23555       7.899237      26.45239 9.481688 40.51107 9.834442 -14.05869      13.66084 
1 1 1 32 11 7  o 62.66593 4.747607 40.66513       5.953829      38.69564       8.140111      42.62754       8.692703      61.16897 6.653791 64.16290 6.773933 -2.993923      9.495214 
1 1 1 32 11 8  o 33.67662 7.032926 12.08619       5.411155      17.39958       7.304138      6.772090       7.984251      39.58374 9.361516 27.76950 10.49811 11.81424       14.06585 
1 1 1 32 11 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 11 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 11 11 o 43.09881 6.639996 20.88516       5.571265      20.01376       7.396237      21.74947       8.338477      42.35111 9.002489 43.84651 9.762856 -1.495399      13.27999 
1 1 1 32 11 12 o 27.87303 7.068898 7.240376       5.189409      10.36465       6.990294      4.113271       7.672533      30.82526 9.963414 24.92080 10.03034 5.904465       14.13780 
1 1 1 32 11 13 o 55.77163 4.819797 32.63837       5.367230      32.05745       8.083434      33.22639       7.058305      55.06250 7.340235 56.48076 6.248416 -1.418255      9.639593 
1 1 1 32 11 14 o 40.27588 6.224740 18.26389       4.883358      15.94725       7.148279      20.57344       6.655904      37.32375 9.539207 43.22800 7.999568 -5.904251      12.44948 
1 1 1 32 11 15 o 19.44228 6.102089 -2.131731      4.903194      1.824972       6.998086      -6.088435      6.868440      22.01497 9.283812 16.86960 7.921667 5.145369       12.20418 
1 1 1 32 11 16 o 29.64622 6.464590 9.528677       4.804720      17.37832       7.268716      1.674072       6.285384      38.50625 9.487479 20.78618 8.783587 17.72007       12.92918 
1 1 1 32 11 17 o 22.38601 6.876324 1.663445       5.777424      5.676824       9.755382      -2.349935      6.189743      27.07152 11.15783 17.70049 8.039785 9.371029       13.75265 
1 1 1 32 11 18 o 29.64290 6.923844 10.02459       4.871314      7.212039       6.840102      12.83715       6.937160      26.39684 9.772367 32.88895 9.811183 -6.492107      13.84769 
1 1 1 32 11 19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 11 20 o 32.90115 7.067257 13.94233       5.061180      13.09219       7.079559      14.79247       7.233293      31.91280 9.992110 33.88949 9.997111 -1.976696      14.13451 
1 1 1 32 11 21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 11 22 o 29.80133 6.957203 11.48400       4.849352      13.77939       7.382068      9.195704       6.290343      32.32769 10.21782 27.27498 9.444941 5.052710       13.91441 
1 1 1 32 11 23 o 20.61993 6.111553 1.911403       4.629024      -2.490916      7.112856      6.313722       5.922657      17.85016 8.289011 23.38970 8.983130 -5.539539      12.22311 
1 1 1 32 11 24 o 16.40987 5.372190 -3.878065      4.464664      -9.032760      6.811764      1.275922       5.772465      14.44755 7.065329 18.37219 8.094618 -3.924637      10.74438 
1 1 1 32 11 25 o 23.54749 6.451300 6.908113       4.655945      12.75213       7.134109      1.065511       5.986417      28.98558 10.05643 18.10940 8.083645 10.87618       12.90260 
1 1 1 32 11 26 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 12 0  o 79.19235 5.024487 64.03696       7.892153      64.03696       7.892153      64.03696       7.892153      79.19235 5.024487 79.19235 5.024487 0.000000       0.000000 
1 1 1 32 12 1  o 20.31829 6.182726 -1.148400      4.777090      3.834141       7.141194      -6.131650      6.343478      24.38498 9.732228 16.25160 7.628115 8.133381       12.36545 
1 1 1 32 12 2  o 22.53542 6.546942 2.203994       4.775673      1.032923       7.141194      3.375064       6.339226      22.03957 9.340286 23.03127 9.176538 -0.9916973     13.09388 
1 1 1 32 12 3  o 77.81956 3.998762 62.14539       6.237210      56.27941       8.281801      68.01138       9.330310      74.16134 5.583638 81.47778 5.725677 -7.316444      7.997524 
1 1 1 32 12 4  o 23.60136 6.689659 2.686449       5.027174      -1.759794      6.687785      7.134109       7.509589      19.36208 8.598015 27.84065 10.25087 -8.478575      13.37932 
1 1 1 32 12 5  o 31.19409 7.457751 10.23004       5.544343      9.011506       7.403321      11.44858       8.260548      29.69976 10.25016 32.68842 10.83542 -2.988663      14.91550 
1 1 1 32 12 6  o 28.18922 7.097287 6.525549       5.513880      12.42624       7.523758      0.6229417      8.062181      33.54335 10.26052 22.83509 9.808552 10.70825       14.19457 
1 1 1 32 12 7  o 23.12098 7.110254 -3.481332      6.907404      3.999918       7.644195      -10.96683      11.50526      24.87648 10.01209 21.36548 10.09856 3.510996       14.22051 
1 1 1 32 12 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 12 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 12 10 o 46.68049 6.391737 24.19363       5.749794      25.85140       8.310139      22.52877       7.948828      48.37566 8.924263 44.98533 9.152854 3.390327       12.78347 
1 1 1 32 12 11 o 63.29026 4.422169 41.78448       5.608104      47.82050       8.451830      35.75556       7.374983      67.89337 6.224341 58.68715 6.283303 9.206219       8.844337 
1 1 1 32 12 12 o 31.62221 7.522106 11.37065       5.787343      16.04643       9.592437      6.687785       6.478083      37.03590 11.63800 26.20853 9.533381 10.82737       15.04421 
1 1 1 32 12 13 o 51.60566 4.803660 28.05469       4.957746      27.67921       6.966206      28.43017       7.056888      51.25968 6.795016 51.95164 6.791786 -0.6919594     9.607320 
1 1 1 32 12 14 o 19.71968 5.945993 -0.8820225     4.456870      -6.244294      6.222332      4.480249       6.382442      15.76380 7.441397 23.67555 9.276042 -7.911744      11.89199 
1 1 1 32 12 15 o 21.33997 6.406515 1.600392       4.836601      -1.449492      5.963038      4.650278       7.615856      17.98792 8.047592 24.69202 9.970456 -6.704109      12.81303 
1 1 1 32 12 16 o 26.70790 6.287787 6.615522       4.575181      -0.7190785     6.324349      13.94941       6.613398      18.97116 8.400728 34.44463 9.358036 -15.47347      12.57557 
1 1 1 32 12 17 o 19.90702 6.283721 -2.225247      5.304887      -5.810721      8.260548      1.360227       6.657322      18.82098 8.810775 20.99306 8.961632 -2.172079      12.56744 
1 1 1 32 12 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 12 19 o 27.07775 7.552502 10.44966       6.072140      12.69546       8.827310      8.210957       8.338477      28.92281 11.00777 25.23270 10.34361 3.690109       15.10500 
1 1 1 32 12 20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 12 21 o 44.65690 6.090971 23.97401       5.305595      21.86282       7.785885      26.09228       7.212039      41.59223 9.555153 47.72157 7.556373 -6.129333      12.18194 
1 1 1 32 12 22 o 39.43690 6.049177 19.39741       4.763630      14.28947       7.070349      24.50535       6.385275      32.52240 9.946203 46.35139 6.887901 -13.82899      12.09835 
1 1 1 32 12 23 o 14.08549 4.866964 -8.288886      4.457579      -7.141194      6.740210      -9.436578      5.834808      15.14361 7.319191 13.02736 6.417071 2.116247       9.733929 
1 1 1 32 12 24 o 29.43045 6.740505 12.58919       4.691368      17.23663       7.197870      7.941744       6.016881      34.46590 9.910766 24.39499 9.138618 10.07091       13.48101 
1 1 1 32 12 25 o 32.97036 6.659096 16.07477       4.619813      17.28622       6.910948      14.86332       6.132358      33.90256 9.699028 32.03815 9.127053 1.864407       13.31819 
1 1 1 32 13 0  o 41.81174 13.65904 23.29390       10.08127      23.29390       10.08127      23.29390       10.08127      41.81174 13.65904 41.81174 13.65904 0.000000       0.000000 
1 1 1 32 13 1  o 33.15855 7.733974 11.85948       5.987834      11.81698       7.672533      11.90199       9.195704      32.88689 10.41919 33.43021 11.43232 -0.5433159     15.46795 
1 1 1 32 13 2  o 84.40426 4.397692 73.46645       7.417490      73.60814       9.238212      73.39561       11.60444      84.76730 5.449160 84.04122 6.904017 0.7260742      8.795384 
1 1 1 32 13 3  o 36.11449 6.813152 12.86548       6.136609      25.00126       8.012589      0.7339560      9.294888      47.87694 8.688012 24.35204 10.49736 23.52490       13.62630 
1 1 1 32 13 4  o 27.06822 7.371773 4.614855       6.074266      9.840395       7.814223      -0.6109688     9.301972      30.64248 10.53509 23.49396 10.31427 7.148521       14.74355 
1 1 1 32 13 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 13 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 13 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 13 8  o 25.34394 6.662837 3.863896       5.108645      -3.070430      7.382068      10.79680       7.061139      19.39974 8.803165 31.28814 10.00389 -11.88840      13.32567 
1 1 1 32 13 9  o 57.94958 4.602499 34.94793       5.332517      33.64437       7.488335      36.25856       7.594603      56.83829 6.587403 59.06086 6.429473 -2.222561      9.204999 
1 1 1 32 13 10 f 77.89603 3.703910 62.69090       5.747669      71.90786       8.380984      53.47394       7.870899      83.74496 5.003874 72.04709 5.462330 11.69788       7.407820 
1 1 1 32 13 11 o 21.34673 6.268392 1.457994       4.562429      -2.158653      6.162114      5.075349       6.729583      18.02376 8.117799 24.66969 9.553653 -6.645937      12.53678 
1 1 1 32 13 12 o 79.15765 3.597778 64.55412       5.695244      62.48544       7.927575      66.62281       8.182618      77.88853 5.089053 80.42677 5.086999 -2.538239      7.195556 
1 1 1 32 13 13 o 26.01853 6.623878 6.478083       4.570222      3.031465       6.328599      9.925409       6.594269      22.21836 9.043365 29.81870 9.680939 -7.600340      13.24776 
1 1 1 32 13 14 o 32.71522 6.318632 12.22079       4.721831      19.72330       6.830893      4.721831       6.520590      41.66101 8.492545 23.76944 9.358264 17.89157       12.63726 
1 1 1 32 13 15 f 28.35597 6.795996 9.011506       4.648152      6.667948       6.353395      11.34940       6.786968      25.58176 9.427845 31.13018 9.790709 -5.548416      13.59199 
1 1 1 32 13 16 o 29.98749 7.113200 10.25130       5.032842      9.953747       7.148279      10.54176       7.091603      29.65884 10.07959 30.31613 10.03954 -0.6572933     14.22640 
1 1 1 32 13 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 13 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 13 19 o 56.05093 9.245795 46.53820       10.76138      64.58955       19.00776      28.49393       10.10961      65.31521 14.87831 46.78664 10.98065 18.52857       18.49159 
1 1 1 32 13 20 o 18.44847 5.970366 -1.788132      4.957746      -0.1606769     7.247461      -3.415446      6.769256      19.65121 8.829824 17.24573 8.038362 2.405483       11.94073 
1 1 1 32 13 21 f 38.65606 6.585242 19.22029       5.068264      22.59961       7.594603      15.84098       6.713289      42.27269 9.237525 35.03942 9.387747 7.233261       13.17048 
1 1 1 32 13 22 o 32.64466 6.893701 14.64370       4.879816      17.30039       7.346645      11.97992       6.423533      35.49548 9.950966 29.79384 9.543098 5.701645       13.78740 
1 1 1 32 13 23 o 27.53014 6.823180 10.77555       4.675782      12.88674       6.950621      8.664365       6.256337      29.75282 9.939240 25.30746 9.350649 4.445364       13.64636 
1 1 1 32 13 24 o 15.24679 5.214105 -6.313722      4.875566      -7.679617      7.382068      -4.947119      6.368981      15.31691 7.463543 15.17668 7.283068 0.1402264      10.42821 
1 1 1 32 14 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 14 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 14 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 14 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 14 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 14 5  o 20.73065 6.853270 -6.565223      6.920157      -12.99301      7.743378      -0.1387148     11.46984      15.57102 7.597503 25.89028 11.40821 -10.31926      13.70654 
1 1 1 32 14 6  o 60.78257 4.705403 38.53978       5.719331      38.39100       7.686701      38.69564       8.473083      60.78491 6.322870 60.78022 6.970264 0.4692078E-02  9.410806 
1 1 1 32 14 7  o 31.13182 6.712852 10.15211       5.096602      2.572388       6.784843      17.72546       7.608772      22.62982 9.312486 39.63382 9.670943 -17.00400      13.42570 
1 1 1 32 14 8  o 31.01838 6.722528 9.960832       5.015839      15.86224       6.852854      4.053052       7.325392      37.57381 9.184005 24.46296 9.819551 13.11084       13.44506 
1 1 1 32 14 9  o 34.75216 7.221560 13.77230       5.438785      13.82190       6.574432      13.71563       8.664365      34.92408 9.259984 34.58025 11.08406 0.3438301      14.44312 
1 1 1 32 14 10 o 35.07148 6.679573 13.92816       4.964122      17.83173       6.657322      10.01751       7.367898      39.90424 8.587619 30.23871 10.23326 9.665533       13.35915 
1 1 1 32 14 11 o 27.25249 6.449995 6.922991       4.785592      -1.235540      5.992085      15.08294       7.467082      18.36704 8.149553 36.13795 9.999725 -17.77091      12.89999 
1 1 1 32 14 12 o 44.25970 6.068015 22.48626       5.281508      14.11236       6.854979      30.86724       8.033843      34.90268 9.547480 53.61672 7.491920 -18.71404      12.13603 
1 1 1 32 14 13 o 38.78223 6.775030 17.72546       5.235459      18.83773       7.289969      16.62028       7.516674      40.19759 9.253377 37.36687 9.898439 2.830715       13.55006 
1 1 1 32 14 14 o 42.15000 6.309469 20.92058       5.472082      32.07161       7.495420      9.776634       7.977167      54.70456 6.850818 29.59544 10.59735 25.10912       12.61894 
1 1 1 32 14 15 o 23.85210 6.794930 2.966288       5.332517      7.977167       7.254546      -2.042466      7.821308      27.52714 10.08114 20.17705 9.113450 7.350088       13.58986 
1 1 1 32 14 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 14 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 14 18 o 58.61766 6.099257 40.06295       7.148279      44.54745       10.54176      35.57845       9.663282      62.02930 8.497406 55.20601 8.752021 6.823296       12.19851 
1 1 1 32 14 19 o 24.16560 7.055840 5.625107       5.553554      4.622647       7.729208      6.627566       7.977167      23.31181 9.790136 25.01940 10.16330 -1.707590      14.11168 
1 1 1 32 14 20 f 21.37960 6.672587 1.318429       5.700912      -0.2834515     8.891070      2.920947       7.134109      21.16834 9.620465 21.59087 9.248802 -0.4225273     13.34517 
1 1 1 32 14 21 o 23.99303 6.805576 5.615189       5.306304      1.139191       7.807138      10.08835       7.183701      20.53413 9.196952 27.45193 10.03392 -6.917803      13.61115 
1 1 1 32 14 22 o 26.66227 7.092523 9.762465       5.282216      7.212039       7.693786      12.31998       7.240376      24.20616 9.931413 29.11839 10.12831 -4.912231      14.18505 
1 1 1 32 14 23 o 16.83634 5.646375 -4.146568      5.107938      1.336140       7.715039      -9.627860      6.695578      19.75258 8.972939 13.92011 6.856571 5.832477       11.29275 
1 1 1 32 14 24 o 17.83812 5.897053 -0.7934660     5.284342      -2.168571      7.835476      0.5812847      7.091603      17.47605 8.294893 18.20020 8.384253 -0.7241440     11.79411 
1 1 1 32 15 0  o 12.24990 8.667555 -7.651280      8.026759      -7.651280      8.026759      -7.651280      8.026759      12.24990 8.667555 12.24990 8.667555 0.000000       0.000000 
1 1 1 32 15 1  o 35.96919 7.298537 14.49492       5.712247      11.05185       8.593520      17.93800       7.523758      32.04480 11.04496 39.89359 9.543768 -7.848782      14.59707 
1 1 1 32 15 2  o 16.65377 5.629787 -8.706873      5.241835      -9.068183      7.906322      -8.352647      6.888276      17.28878 8.252584 16.01876 7.659821 1.270023       11.25957 
1 1 1 32 15 3  o 30.47557 7.473866 9.642029       5.627233      7.396237       8.012589      11.88782       7.899237      28.17989 10.54795 32.77125 10.59129 -4.591360      14.94773 
1 1 1 32 15 4  o 137.8779 3.332084 194.1866       9.188620      192.5572       13.07802      195.7452       12.90799      137.2807 4.763241 138.4752 4.660759 -1.194489      6.664168 
1 1 1 32 15 5  o 20.93069 6.377385 -2.592225      5.331808      -10.32923      7.516674      5.144068       7.566265      16.18771 7.803121 25.67367 10.08937 -9.485962      12.75477 
1 1 1 32 15 6  o 33.14410 7.130993 11.97992       5.605271      19.12111       8.182618      4.844393       7.665448      40.85915 10.06568 25.42906 10.10378 15.43010       14.26199 
1 1 1 32 15 7  f 52.66041 5.607949 29.69122       5.909905      30.27923       8.728126      29.11028       7.970083      53.04655 8.226855 52.27426 7.623334 0.7722969      11.21590 
1 1 1 32 15 8  o 25.38404 6.993311 4.306678       5.434533      -0.4966247     7.835476      9.110690       7.530843      21.46510 9.444689 29.30298 10.31618 -7.837883      13.98662 
1 1 1 32 15 9  o 36.79549 6.804616 15.77014       5.210663      10.31506       6.731709      21.22522       7.955913      30.41656 9.772031 43.17442 9.471990 -12.75786      13.60923 
1 1 1 32 15 10 o 45.86382 5.820711 23.61270       5.237584      16.64862       6.626858      30.57678       8.111773      38.32263 8.822985 53.40501 7.594581 -15.08238      11.64142 
1 1 1 32 15 11 o 29.70688 7.166883 9.379901       5.505378      15.68512       8.140111      3.073972       7.417490      36.17128 10.58464 23.24247 9.665519 12.92881       14.33377 
1 1 1 32 15 12 o 36.38972 6.993758 15.79139       5.265214      17.50584       7.212039      14.07694       7.672533      38.56059 9.419395 34.21884 10.34048 4.341755       13.98752 
1 1 1 32 15 13 o 31.85233 7.412285 11.82406       5.497586      13.16303       7.686701      10.49217       7.863815      33.31626 10.40781 30.38839 10.55677 2.927872       14.82457 
1 1 1 32 15 14 o 30.02641 8.029307 9.847479       6.779883      10.19462       7.948828      9.507423       10.98809      29.78832 10.58728 30.26451 12.07430 -0.4761829     16.05861 
1 1 1 32 15 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 15 16 o 25.63350 11.71073 10.66220       13.51726      10.66220       13.51726      ?              ?             25.63350 11.71073 ?        ?        ?              ?        
1 1 1 32 15 17 o 32.42940 8.195065 13.73688       6.863481      12.72379       10.59844      14.74997       8.721042      31.39376 12.02851 33.46503 11.13334 -2.071272      16.39013 
1 1 1 32 15 18 o 26.49556 7.582871 7.261631       6.539719      3.637192       10.02459      10.88182       8.395153      24.15165 10.65068 28.83946 10.79643 -4.687813      15.16574 
1 1 1 32 15 19 o 24.77289 6.983173 6.378191       5.290009      3.954578       7.488335      8.798972       7.474166      22.68507 9.586740 26.86071 10.15644 -4.175640      13.96635 
1 1 1 32 15 20 o 24.17568 6.896088 6.241460       5.282216      9.911241       7.630026      2.573805       7.311223      27.27748 10.27662 21.07387 9.198655 6.203615       13.79218 
1 1 1 32 15 21 o 18.80571 6.171525 -1.556469      5.576224      -2.767213      7.552096      -0.3460079     8.210957      17.89213 8.384621 19.71929 9.058091 -1.827160      12.34305 
1 1 1 32 15 22 o 23.82612 6.928050 7.346645       5.312680      8.019674       7.885069      6.670782       7.119940      24.44390 10.04575 23.20834 9.543285 1.235561       13.85610 
1 1 1 32 15 23 o 29.11992 7.066493 13.52434       5.302762      8.196787       7.438744      18.85899       7.559181      23.70417 9.752137 34.53567 10.22923 -10.83150      14.13299 
1 1 1 32 16 0  o 27.74979 11.81395 11.52651       6.625441      11.52651       6.625441      11.52651       6.625441      27.74979 11.81395 27.74979 11.81395 0.000000       0.000000 
1 1 1 32 16 1  o 28.52135 6.852163 8.473083       4.760796      10.86057       6.635359      6.089143       6.828767      31.18998 9.655146 25.85273 9.725570 5.337254       13.70433 
1 1 1 32 16 2  o 50.09706 5.408764 27.24706       5.235459      32.75881       7.630026      21.73530       7.169532      55.83101 6.833144 44.36312 8.386123 11.46789       10.81753 
1 1 1 32 16 3  o 20.21923 6.325092 -1.343225      5.120689      2.169988       7.885069      -4.856437      6.534050      23.40486 9.861534 17.03359 7.923213 6.371267       12.65018 
1 1 1 32 16 4  o 77.05057 4.222975 61.78408       6.501462      61.22440       9.840395      62.35084       8.494337      76.45610 6.435324 77.64504 5.469980 -1.188942      8.445951 
1 1 1 32 16 5  o 41.96868 6.632113 19.83665       5.586143      15.06877       8.303054      24.61161       7.474166      35.98188 10.73367 47.95549 7.792817 -11.97361      13.26423 
1 1 1 32 16 6  o 49.46461 5.948287 26.86449       5.659113      23.80398       8.515590      29.92500       7.452912      45.71584 9.617093 53.21337 7.002858 -7.497524      11.89657 
1 1 1 32 16 7  o 30.09407 7.295683 9.649114       5.408321      7.892153       8.260548      11.40607       6.983918      28.45788 10.69843 31.73027 9.922276 -3.272388      14.59137 
1 1 1 32 16 8  o 20.55580 6.344196 -0.9663283     5.130608      4.273381       7.941744      -6.206038      6.500045      24.90646 10.13289 16.20513 7.636741 8.701334       12.68839 
1 1 1 32 16 9  o 37.48743 7.030536 16.61319       5.381400      17.39249       8.253463      15.84098       6.910239      38.09501 10.50077 36.87984 9.351339 1.215168       14.06107 
1 1 1 32 16 10 o 34.16584 7.580523 14.01318       5.882275      13.75813       9.344479      14.26822       7.148279      33.70861 11.52443 34.62306 9.851137 -0.9144478     15.16105 
1 1 1 32 16 11 o 30.99535 7.682182 11.27147       5.964456      14.23988       9.592437      8.303054       7.091603      34.24044 11.67633 27.75027 9.986336 6.490168       15.36436 
1 1 1 32 16 12 o 74.35661 7.064935 64.09364       10.88890      76.65448       19.58869      51.52570       9.514507      79.24596 12.35943 69.46725 6.848197 9.778702       14.12987 
1 1 1 32 16 13 o 50.59653 10.20588 42.91093       13.40391      46.12021       12.34123      39.70872       23.80398      59.44609 10.77676 41.74699 17.33497 17.69910       20.41176 
1 1 1 32 16 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 16 15 o 36.43515 7.296731 17.07369       7.559181      -4.677907      9.790804      38.81607       11.52651      19.80785 9.345694 53.06246 11.20835 -33.25461      14.59346 
1 1 1 32 16 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 16 17 o 22.73679 6.924348 3.405528       5.721456      2.838058       8.359732      3.972997       7.814223      22.55583 9.840923 22.91776 9.743851 -0.3619213     13.84870 
1 1 1 32 16 18 o 29.36643 7.427465 11.21479       5.627233      8.834394       8.118857      13.59519       7.792970      26.97356 10.48371 31.75930 10.52429 -4.785740      14.85493 
1 1 1 32 16 19 o 36.01084 6.344643 16.96742       5.533717      5.025048       7.679617      28.91191       7.970083      23.09081 9.730854 48.93086 8.144229 -25.84005      12.68929 
1 1 1 32 16 20 o 17.88155 5.809398 -1.137065      4.757254      -3.042092      6.347728      0.7686701      7.084518      16.40078 7.685977 19.36231 8.713334 -2.961527      11.61880 
1 1 1 32 16 21 o 26.35224 7.031751 9.209873       5.635734      12.35540       6.475958      6.065764       9.224042      29.25511 9.593871 23.44938 10.28298 5.805735       14.06350 
1 1 1 32 16 22 o 15.89874 5.350869 -3.689617      4.714746      -2.979040      6.138735      -4.399486      7.155363      15.65292 7.389697 16.14456 7.740772 -0.4916439     10.70174 
1 1 1 32 17 0  f 10.36063 7.435125 -8.083434      6.517048      -8.083434      6.517048      -8.083434      6.517048      10.36063 7.435125 10.36063 7.435125 0.000000       0.000000 
1 1 1 32 17 1  f 29.59313 6.874394 9.627860       4.722539      10.80389       6.700537      8.444746       6.655904      30.99991 9.723883 28.18634 9.719840 2.813572       13.74879 
1 1 1 32 17 2  o 46.48446 5.613379 23.55602       5.051970      20.76472       7.289969      26.35441       6.995961      43.04554 8.771900 49.92337 7.006700 -6.877831      11.22676 
1 1 1 32 17 3  o 44.98697 5.977660 22.35165       5.241126      19.35490       7.424574      25.34132       7.403321      41.27440 9.227903 48.69954 7.601017 -7.425140      11.95532 
1 1 1 32 17 4  f 49.89460 5.622056 27.39583       5.387067      21.56527       7.488335      33.22639       7.750463      43.76333 8.864934 56.02586 6.916861 -12.26254      11.24411 
1 1 1 32 17 5  o 108.1560 3.241268 120.2243       7.009422      127.4505       10.09544      113.0689       9.727042      111.4257 4.530121 104.8863 4.636948 6.539429       6.482536 
1 1 1 32 17 6  o 38.58560 6.227746 17.29331       5.176658      7.268716       7.091603      27.31790       7.545012      26.84104 9.947690 50.33017 7.495516 -23.48913      12.45549 
1 1 1 32 17 7  o 30.02144 7.479110 1.013795       8.636027      -13.26930      15.79139      15.29548       7.000920      24.00700 11.50788 36.03587 9.556001 -12.02887      14.95822 
1 1 1 32 17 8  o 21.94499 7.086833 -7.019340      8.055097      -15.71346      14.38157      1.674780       7.275800      22.01222 10.64794 21.87776 9.354907 0.1344604      14.17367 
1 1 1 32 17 9  o 39.26443 8.556722 17.96634       9.025676      14.87749       16.45025      21.04810       7.417490      35.79808 14.57697 42.73080 8.965601 -6.932720      17.11344 
1 1 1 32 17 10 o 24.54564 7.554983 -2.048842      8.203872      -9.054014      14.76414      4.955620       7.141194      24.50622 11.53718 24.58506 9.757277 -0.7883835E-01 15.10997 
1 1 1 32 17 11 o 41.82600 9.121138 23.58436       10.21588      22.88299       18.71021      24.28573       8.218040      38.63066 15.61576 45.02133 9.430201 -6.390667      18.24228 
1 1 1 32 17 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 17 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 17 14 o 32.11937 8.509613 14.43825       7.622942      20.41050       13.30472      8.465999       7.452912      37.07538 13.64508 27.16337 10.17182 9.912012       17.01923 
1 1 1 32 17 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 17 16 o 21.13354 6.399561 0.2730373E-01  5.360855      -6.424950      8.274716      6.480209       6.821682      17.77667 8.475252 24.49041 9.591019 -6.713736      12.79912 
1 1 1 32 17 17 o 16.99238 5.571005 -3.990001      4.658071      0.6509963      6.655904      -8.628942      6.518465      19.44874 8.614409 14.53601 7.066566 4.912727       11.14201 
1 1 1 32 17 18 o 17.72084 5.682505 -2.855061      4.670114      -9.117774      6.663697      3.407653       6.544678      14.39249 7.027053 21.04920 8.932188 -6.656709      11.36501 
1 1 1 32 17 19 o 20.99297 6.274021 3.656320       4.598560      1.755544       6.594978      5.557096       6.409364      19.54940 8.627645 22.43653 9.111372 -2.887129      12.54804 
1 1 1 32 17 20 o 18.62517 5.740094 -2.028297      4.663030      7.736294       6.619773      -11.79572      6.568765      24.11546 9.447231 13.13488 6.522618 10.98058       11.48019 
1 1 1 32 17 21 o 18.33669 5.772808 0.1103059      4.571640      5.720040       6.393069      -5.499711      6.537593      21.66221 8.988621 15.01117 7.246098 6.651042       11.54562 
1 1 1 32 18 0  o 10.56981 7.551503 -7.332476      6.518465      -7.332476      6.518465      -7.332476      6.518465      10.56981 7.551503 10.56981 7.551503 0.000000       0.000000 
1 1 1 32 18 1  o 26.09043 6.788221 6.643860       4.813930      10.13086       7.056888      3.155444       6.548220      29.81986 10.01494 22.36100 9.166285 7.458858       13.57644 
1 1 1 32 18 2  o 17.38893 5.779409 -5.932575      5.178074      -6.794761      8.012589      -5.069681      6.560972      18.03687 8.493774 16.74100 7.839776 1.295870       11.55882 
1 1 1 32 18 3  o 18.25146 5.919865 -7.764632      5.528049      -16.56360      8.721042      1.031506       6.799012      15.63277 7.707966 20.87014 8.987017 -5.237370      11.83973 
1 1 1 32 18 4  o 37.05904 7.551538 16.49984       6.157155      14.79956       9.982086      18.20012       7.212039      34.69355 11.90910 39.42454 9.288497 -4.730995      15.10308 
1 1 1 32 18 5  o 42.00091 7.580379 21.89824       6.549637      27.13370       10.92433      16.65570       7.226208      46.49257 11.73923 37.50924 9.593701 8.983334       15.16076 
1 1 1 32 18 6  o 27.29688 7.502250 7.162447       5.931867      7.282885       9.365732      7.046261       7.282885      28.03126 11.15865 26.56250 10.03094 1.468767       15.00450 
1 1 1 32 18 7  o 122.7643 3.819124 157.4888       9.479085      171.5870       15.47259      143.3198       10.95975      127.6417 6.060945 117.8869 4.648416 9.754776       7.638247 
1 1 1 32 18 8  o 21.81373 6.942396 -1.236957      6.393777      -0.7842561     10.41424      -1.689657      7.417490      23.76221 10.63297 19.86526 8.929022 3.896957       13.88479 
1 1 1 32 18 9  o 20.69255 6.506234 -6.239335      6.469582      -17.96634      10.36465      5.489793       7.743378      16.84113 8.327567 24.54397 9.998797 -7.702841      13.01247 
1 1 1 32 18 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 18 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 18 12 o 24.74557 7.278184 5.728541       6.010505      9.620775       9.436578      1.833473       7.445828      28.21413 11.21041 21.27702 9.285175 6.937111       14.55637 
1 1 1 32 18 13 o 26.68731 9.012356 -8.699788      13.60227      11.10144       20.35382      -28.50101      18.04427      32.08496 14.57491 21.28965 10.60481 10.79531       18.02471 
1 1 1 32 18 14 o 26.48896 7.226622 4.768589       6.628983      -4.981833      10.47092      14.51618       8.133026      20.46765 9.659307 32.51027 10.75147 -12.04262      14.45324 
1 1 1 32 18 15 o 31.18764 7.499254 12.92925       5.629357      13.58102       8.636027      12.28455       7.226208      31.65689 11.05666 30.71839 10.13437 0.9384918      14.99851 
1 1 1 32 18 16 o 22.49197 6.755125 4.219539       5.311971      5.608104       8.239295      2.830973       6.708330      24.05586 10.10557 20.92808 8.966846 3.127781       13.51025 
1 1 1 32 18 17 o 24.72986 6.964910 7.410406       5.245378      10.83223       8.168448      3.984333       6.584351      27.96393 10.60472 21.49578 9.032149 6.468151       13.92982 
1 1 1 32 18 18 o 24.16059 6.531684 5.081016       5.260254      -2.607102      8.048012      12.76630       6.774216      18.38778 8.623812 29.93341 9.812312 -11.54563      13.06337 
1 1 1 32 18 19 o 28.10934 7.652651 11.94450       6.551762      8.721042       10.36465      15.17504       8.012589      25.19328 10.97494 31.02541 10.66785 -5.832127      15.30530 
1 1 1 32 18 20 o 25.63759 7.074748 10.43549       5.273715      13.26222       8.253463      7.601687       6.568765      27.95866 10.64304 23.31652 9.323834 4.642141       14.14950 
1 1 1 32 19 0  o 33.69287 14.89015 18.35599       10.47800      18.35599       10.47800      18.35599       10.47800      33.69287 14.89015 33.69287 14.89015 0.000000       0.000000 
1 1 1 32 19 1  o 23.51879 7.265999 0.6381734      6.563097      4.493001       9.939578      -3.217079      8.572267      26.51494 11.11718 20.52263 9.358811 5.992313       14.53200 
1 1 1 32 19 2  o 37.75558 8.233569 17.69713       6.930784      22.03993       10.52051      13.35432       9.025676      41.97613 11.95346 33.53503 11.32614 8.441097       16.46714 
1 1 1 32 19 3  o 24.68956 7.225502 -0.8373900     6.763589      12.80881       10.42841      -14.48075      8.621859      33.23299 12.09504 16.14612 7.908321 17.08687       14.45100 
1 1 1 32 19 4  o 35.13430 7.728351 13.59519       7.261631      28.27431       11.12978      -1.085348      9.337394      47.75128 11.72429 22.51732 10.07227 25.23396       15.45670 
1 1 1 32 19 5  f 23.81120 7.513526 -0.8990253E-01 7.304138      -0.6711872     10.91724      0.4914530      9.712874      24.05969 10.82244 23.56272 10.42531 0.4969788      15.02705 
1 1 1 32 19 6  o 27.98358 7.625414 4.288967       7.488335      -9.606606      11.24313      18.18596       9.889987      19.93392 9.592815 36.03325 11.85604 -16.09933      15.25083 
1 1 1 32 19 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 19 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 19 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 19 10 o 29.40391 7.073184 10.15211       5.522382      2.891901       7.615856      17.40666       7.998421      22.30468 9.555321 36.50315 10.43147 -14.19847      14.14637 
1 1 1 32 19 11 o 22.58815 7.585451 -7.204955      9.316141      -3.566346      12.80172      -10.83931      13.53143      23.47219 10.98454 21.70411 10.46403 1.768082       15.17090 
1 1 1 32 19 12 o 61.65017 12.42734 54.25324       14.78539      54.25324       14.78539      ?              ?             61.65017 12.42734 ?        ?        ?              ?        
1 1 1 32 19 13 o 21.49595 6.415927 2.695659       4.844393      -0.6053720     6.704788      5.996336       6.993836      18.82802 8.474545 24.16388 9.635278 -5.335861      12.83185 
1 1 1 32 19 14 o 40.38081 6.534102 20.69388       5.204995      17.08786       7.573349      24.29990       7.148279      35.84634 10.12084 44.91529 8.267200 -9.068951      13.06820 
1 1 1 32 19 15 o 24.79424 7.000136 7.304138       5.273715      9.734127       8.133026      4.870606       6.715415      27.14278 10.50450 22.44568 9.255431 4.697100       14.00027 
1 1 1 32 19 16 o 24.88359 7.004313 7.771716       5.241126      9.379901       8.062181      6.156446       6.695578      26.45823 10.40935 23.30896 9.374808 3.149279       14.00863 
1 1 1 32 19 17 o 38.57633 7.027225 21.19688       5.637151      18.59686       8.806056      23.78981       7.044137      34.22382 11.18749 42.92884 8.506919 -8.705025      14.05445 
1 1 1 32 19 18 o 25.81888 7.149141 9.960832       5.398402      12.33415       8.480167      7.594603       6.684951      27.80032 10.73309 23.83744 9.446783 3.962875       14.29828 
1 1 1 32 19 19 o 34.46042 7.294158 17.81756       9.394071      8.791886       17.30039      26.84324       7.325392      24.50572 11.81897 44.41512 8.551658 -19.90939      14.58832 
1 1 1 32 20 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 20 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 20 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 20 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 20 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 20 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 20 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 20 7  o 35.51112 7.872653 18.20012       6.993836      5.018672       7.785885      31.37733       11.61861      23.91037 9.920401 47.11187 12.22703 -23.20151      15.74531 
1 1 1 32 20 8  o 32.78613 7.824008 14.16904       6.250670      8.650196       7.679617      19.68787       9.861650      27.46073 10.31700 38.11153 11.76520 -10.65080      15.64802 
1 1 1 32 20 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 20 10 o 27.13528 6.979955 1.746334       6.810347      20.35382       9.287803      -16.86115      9.967916      37.90262 11.36164 16.36793 8.111241 21.53469       13.95991 
1 1 1 32 20 11 o 30.29380 7.402220 11.64695       5.717206      14.64370       7.346645      8.657280       8.763549      33.40539 10.12327 27.18222 10.80235 6.223167       14.80444 
1 1 1 32 20 12 o 21.28898 6.548448 1.484207       5.401945      4.284717       6.933618      -1.315595      8.288886      22.51086 9.352083 20.06710 9.168818 2.443762       13.09690 
1 1 1 32 20 13 o 24.05399 6.688972 5.107938       5.351645      -4.335725      6.566639      14.55160       8.451830      16.29772 7.679023 31.81025 10.95454 -15.51254      13.37794 
1 1 1 32 20 14 o 28.82567 7.253353 11.73196       5.447286      6.213122       6.728167      17.25080       8.572267      23.49583 9.419304 34.15551 11.03273 -10.65968      14.50671 
1 1 1 32 20 15 o 22.82222 6.531339 4.013380       5.230500      10.32214       6.834435      -2.293967      7.920490      27.19668 9.801960 18.44777 8.634530 8.748907       13.06268 
1 1 1 32 20 16 o 18.94191 6.033593 -0.4488042     5.119981      3.873106       6.480209      -4.770715      7.927575      20.71425 8.842083 17.16958 8.211853 3.544666       12.06719 
1 1 1 32 20 17 o 53.26682 6.081892 37.29998       6.141568      41.39484       7.955913      33.20514       9.358648      58.76207 6.769599 47.77156 10.10595 10.99051       12.16378 
1 1 1 32 20 18 o 18.93336 6.044637 2.230206       4.869189      1.582681       6.731000      2.877023       7.037052      18.44112 8.378249 19.42560 8.715244 -0.9844818     12.08927 
1 1 1 32 21 0  o 29.68441 13.18694 14.69329       8.218040      14.69329       8.218040      14.69329       8.218040      29.68441 13.18694 29.68441 13.18694 0.000000       0.000000 
1 1 1 32 21 1  o 26.22324 7.274914 6.726750       5.846144      10.71888       7.863815      2.738166       8.650196      29.30842 10.51908 23.13806 10.05219 6.170366       14.54983 
1 1 1 32 21 2  o 26.70880 6.289448 2.284049       5.637859      18.51893       7.842561      -13.94941      8.097604      38.20960 10.10574 15.20800 7.490175 23.00160       12.57890 
1 1 1 32 21 3  o 27.18801 7.357803 8.140111       5.677533      5.473498       7.856731      10.80389       8.196787      24.71270 10.07032 29.66332 10.73023 -4.950626      14.71561 
1 1 1 32 21 4  o 41.79138 6.631584 21.79906       6.023965      34.05528       8.274716      9.535762       8.756464      55.07356 7.512423 28.50920 10.93047 26.56436       13.26317 
1 1 1 32 21 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 21 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 32 21 7  o 25.78340 7.157500 5.756879       6.061513      13.54560       8.338477      -2.029006      8.798972      31.39675 10.87420 20.17004 9.309733 11.22671       14.31500 
1 1 1 32 21 8  o 17.67160 5.955149 -7.389152      5.756879      -16.18812      6.960539      1.415487       9.174451      12.91913 6.456417 22.42408 10.00849 -9.504952      11.91030 
1 1 1 32 21 9  o 19.81474 6.334192 -1.890858      5.554262      -8.480167      7.204955      4.697744       8.458915      15.62975 7.556420 23.99973 10.16801 -8.369972      12.66838 
1 1 1 32 21 10 o 28.40197 7.306675 10.30797       5.524507      12.39082       7.240376      8.225125       8.345562      30.46060 10.14430 26.34335 10.51871 4.117258       14.61335 
1 1 1 32 21 11 o 24.56947 7.039526 6.274758       5.768923      -1.813636      6.851437      14.36032       9.280719      17.94307 8.255657 31.19587 11.40455 -13.25280      14.07905 
1 1 1 32 21 12 o 19.73295 6.120499 -2.618438      5.394152      6.521298       6.835143      -11.76030      8.345562      23.82494 9.517414 15.64096 7.698107 8.183980       12.24100 
1 1 1 32 21 13 o 20.94349 6.517109 2.693534       5.349519      3.111520       6.794761      2.274839       8.260548      20.69001 8.947658 21.19698 9.477883 -0.5069714     13.03422 
1 1 1 32 21 14 o 31.57863 6.533905 14.06277       5.560638      -0.1089599     6.877649      28.23180       8.742295      18.40401 8.390034 44.75326 10.01873 -26.34925      13.06781 
1 1 1 32 21 15 o 19.28841 6.170207 1.047800       5.175949      2.152985       6.727458      -0.5720748E-01 7.870899      19.47954 8.640180 19.09728 8.810966 0.3822632      12.34041 
1 1 1 32 21 16 o 25.51163 7.142995 10.40716       5.431700      8.175533       6.999504      12.63878       8.310139      23.75340 9.572097 27.26985 10.60493 -3.516445      14.28599 
1 1 1 32 22 0  f 16.31220 10.41747 2.733207       7.325392      2.733207       7.325392      2.733207       7.325392      16.31220 10.41747 16.31220 10.41747 0.000000       0.000000 
1 1 1 32 22 1  o 21.32966 6.565568 1.926989       5.304887      -0.7148278     7.403321      4.569514       7.601687      19.46156 8.824321 23.19776 9.724098 -3.736198      13.13114 
1 1 1 32 22 2  o 26.44184 6.836370 7.651280       5.151861      13.69437       7.353730      1.601101       7.219123      32.11734 10.20299 20.76634 9.101801 11.35100       13.67274 
1 1 1 32 22 3  o 20.93145 6.428758 1.793800       5.054096      0.5988543E-01  7.183701      3.526673       7.105771      19.75617 8.835973 22.10672 9.340304 -2.350542      12.85752 
1 1 1 32 22 4  o 22.40386 6.704708 3.596810       5.192952      3.554303       7.282885      3.639317       7.403321      22.32370 9.445170 22.48401 9.518466 -0.1603069     13.40942 
1 1 1 32 22 5  o 35.17714 6.802299 16.25188       5.618731      5.505378       7.304138      27.00618       8.536844      23.90876 9.720761 46.44551 9.517975 -22.53675      13.60460 
1 1 1 32 22 6  o 22.83989 6.794348 4.058721       5.313388      5.219164       7.240376      2.898985       7.778800      23.52857 9.640669 22.15120 9.576544 1.377367       13.58870 
1 1 1 32 22 7  o 29.95197 7.222006 11.97992       5.231208      12.61753       6.961247      11.34940       7.807138      30.78747 9.941848 29.11648 10.47803 1.670990       14.44401 
1 1 1 32 22 8  o 26.98166 6.931319 8.699788       5.255295      13.94233       7.176617      3.454411       7.679617      31.91401 10.07335 22.04932 9.523672 9.864691       13.86264 
1 1 1 32 22 9  o 24.09851 6.941953 6.386693       5.306304      7.474166       7.183701      5.296385       7.814223      24.87500 9.813379 23.32203 9.821426 1.552969       13.88391 
1 1 1 32 22 10 f 55.68478 5.578881 38.20681       6.036717      27.58711       7.679617      48.83358       9.316141      46.87556 8.504783 64.49401 7.222486 -17.61845      11.15776 
1 1 1 32 22 11 f 38.51866 6.893105 20.56635       6.347020      28.90483       7.424574      12.23496       10.29380      48.89465 7.592421 28.14266 11.50716 20.75199       13.78621 
1 1 1 32 22 12 o 21.49926 6.597600 3.832016       5.343143      5.693827       7.204955      1.969496       7.892153      22.57033 9.464287 20.42819 9.194596 2.142145       13.19520 
1 1 1 32 22 13 o 36.68361 6.985428 19.57452       5.239001      19.19196       7.261631      19.95709       7.559181      36.46568 9.760790 36.90154 9.995590 -0.4358673     13.97086 
1 1 1 32 22 14 o 23.40162 6.605862 6.648112       5.110063      0.3206453      7.105771      12.97175       7.346645      18.36428 8.431803 28.43895 10.17125 -10.07467      13.21172 
1 1 1 32 23 0  o 16.47403 10.38300 3.316263       7.060431      3.316263       7.060431      3.316263       7.060431      16.47403 10.38300 16.47403 10.38300 0.000000       0.000000 
1 1 1 32 23 1  o 27.92747 6.859909 9.712874       5.066138      4.361938       7.176617      15.06169       7.155363      22.45045 9.431283 33.40449 9.964150 -10.95404      13.71982 
1 1 1 32 23 2  o 25.17699 6.450375 5.623690       5.070390      -4.056595      6.944952      15.30256       7.389152      16.92997 7.953617 33.42402 10.15723 -16.49405      12.90075 
1 1 1 32 23 3  o 23.33683 6.711461 5.089518       5.131316      9.394071       7.382068      0.7828392      7.127024      26.88531 10.11232 19.78835 8.826992 7.096956       13.42292 
1 1 1 32 23 4  o 14.77664 5.079032 -10.08835      4.901069      -15.89766      6.986751      -4.274089      6.876233      12.86934 6.434665 16.68394 7.860112 -3.814601      10.15806 
1 1 1 32 23 5  o 21.91046 6.601593 3.914904       5.093060      3.703786       7.148279      4.126731       7.254546      21.71615 9.278755 22.10476 9.393021 -0.3886147     13.20319 
1 1 1 32 23 6  o 25.50299 6.929220 7.899237       5.243251      2.479581       6.901738      13.32598       7.892153      20.55826 8.955789 30.44772 10.57592 -9.889454      13.85844 
1 1 1 32 23 7  o 26.17752 6.756474 8.515590       4.981124      14.09111       7.148279      2.941492       6.941411      31.56109 10.06283 20.79394 9.018826 10.76715       13.51295 
1 1 1 32 23 8  o 32.04047 7.660738 15.65678       5.912030      15.68512       9.103605      15.62845       7.545012      31.43427 11.31438 32.64666 10.33113 -1.212383      15.32148 
1 1 1 32 23 9  o 27.08099 7.150874 10.44966       5.359438      12.67420       7.162447      8.225125       7.977167      29.31091 10.08530 24.85107 10.14035 4.459839       14.30175 
1 1 1 32 23 10 o 23.55842 6.435160 4.915947       5.148319      -5.873065      6.675741      15.70638       7.835476      15.29338 7.367514 31.82346 10.55295 -16.53008      12.87032 
1 1 1 32 23 11 o 21.23113 6.678727 2.015545       6.058680      -9.996255      6.932909      14.02734       9.939578      14.05752 6.923433 28.40474 11.42312 -14.34722      13.35745 
1 1 1 32 23 12 o 33.34444 7.146961 18.03010       5.482000      10.57010       6.956288      25.49718       8.473083      26.08813 9.815596 40.60077 10.39087 -14.51264      14.29392 
1 1 1 32 24 0  o 13.29454 9.008307 -0.8444744     6.841519      -0.8444744     6.841519      -0.8444744     6.841519      13.29454 9.008307 13.29454 9.008307 0.000000       0.000000 
1 1 1 32 24 1  o 45.16067 6.146730 26.13479       5.418239      29.52119       7.615856      22.74839       7.707955      49.35520 7.715355 40.96614 9.570918 8.389061       12.29346 
1 1 1 32 24 2  o 17.42276 5.723629 -2.617729      4.881941      -5.872357      6.988169      0.6373232      6.819557      15.86941 7.618744 18.97610 8.543678 -3.106690      11.44726 
1 1 1 32 24 3  o 33.33979 7.151430 16.14561       5.243960      13.56685       7.332476      18.72438       7.502505      30.40948 10.20862 36.27010 10.01778 -5.860619      14.30286 
1 1 1 32 24 4  o 22.99908 6.647507 5.561347       5.094476      0.6261297      6.967623      10.49926       7.431659      18.99175 8.588636 27.00642 10.14853 -8.014666      13.29501 
1 1 1 32 24 5  o 51.45980 5.592571 33.15554       5.562763      26.86449       7.580434      39.45368       8.147196      45.42677 8.654737 57.49283 7.085402 -12.06606      11.18514 
1 1 1 32 24 6  o 23.62598 6.598779 6.175574       5.052678      -0.4817472E-01 7.004463      12.39791       7.282885      18.50472 8.444311 28.74724 10.14244 -10.24252      13.19756 
1 1 1 32 24 7  o 16.92122 5.609746 -3.070430      4.872023      -6.645986      6.888985      0.5054095      6.891110      15.20849 7.358983 18.63395 8.468907 -3.425464      11.21949 
1 1 1 32 24 8  o 18.67460 5.982076 -0.3211412     5.024340      -5.613772      7.071766      4.971914       7.141194      15.73431 7.580658 21.61490 9.256056 -5.880589      11.96415 
1 1 1 32 24 9  o 46.14124 6.061179 28.69230       5.431700      23.71188       7.601687      33.67271       7.757547      40.53209 9.527546 51.75038 7.495160 -11.21829      12.12236 
1 1 1 32 24 10 o 16.33712 5.582379 -4.646027      5.499711      -5.499003      6.951329      -3.793051      8.522675      15.28673 7.396039 17.38751 8.363637 -2.100780      11.16476 
1 1 1 32 25 0  o 15.93185 10.19929 3.428906       7.059014      3.428906       7.059014      3.428906       7.059014      15.93185 10.19929 15.93185 10.19929 0.000000       0.000000 
1 1 1 32 25 1  o 27.47720 7.064411 11.37065       5.205703      7.431659       7.219123      15.31673       7.502505      23.61640 9.643188 31.33801 10.32630 -7.721617      14.12882 
1 1 1 32 25 2  o 18.89976 6.003721 0.4033924      4.933658      4.861396       6.813890      -4.054470      7.134109      21.36524 9.091746 16.43428 7.843392 4.930960       12.00744 
1 1 1 32 25 3  o 18.92244 6.091815 0.8005505      5.110063      2.644650       7.233293      -1.042841      7.219123      19.97227 8.901248 17.87260 8.319172 2.099667       12.18363 
1 1 1 32 25 4  o 18.01004 5.868160 -0.8848563     5.009462      -5.108645      7.003754      3.339642       7.162447      15.74443 7.575372 20.27564 8.964093 -4.531211      11.73632 
1 1 1 32 25 5  o 14.18315 4.942178 -11.33523      5.078182      -4.100519      6.934327      -18.56852      7.417490      15.99401 7.656927 12.37229 6.250758 3.621724       9.884356 
1 1 1 32 25 6  o 24.03759 6.871874 8.862731       5.126357      8.558097       7.005879      9.160281       7.488335      23.82374 9.586379 24.25145 9.848449 -0.4277039     13.74375 
1 1 1 33 0  1  o 50.33672 6.289621 26.77948       6.170615      26.77948       6.170615      26.77948       6.170615      50.33672 6.289621 50.33672 6.289621 0.000000       0.000000 
1 1 1 33 0  2  o 10.91624 7.568715 -3.448743      5.328974      -3.448743      5.328974      -3.448743      5.328974      10.91624 7.568715 10.91624 7.568715 0.000000       0.000000 
1 1 1 33 0  3  o 34.93642 9.682773 14.94833       5.844728      14.94833       5.844728      14.94833       5.844728      34.93642 9.682773 34.93642 9.682773 0.000000       0.000000 
1 1 1 33 0  4  o 17.79414 10.09364 4.440576       5.480583      4.440576       5.480583      4.440576       5.480583      17.79414 10.09364 17.79414 10.09364 0.000000       0.000000 
1 1 1 33 0  5  o 30.86572 10.45170 12.56793       5.761838      12.56793       5.761838      12.56793       5.761838      30.86572 10.45170 30.86572 10.45170 0.000000       0.000000 
1 1 1 33 0  6  o 105.8372 3.877015 112.9981       8.182618      112.9981       8.182618      112.9981       8.182618      105.8372 3.877015 105.8372 3.877015 0.000000       0.000000 
1 1 1 33 0  7  o 41.72288 7.375471 19.07152       5.618731      19.07152       5.618731      19.07152       5.618731      41.72288 7.375471 41.72288 7.375471 0.000000       0.000000 
1 1 1 33 0  8  o 8.571415 6.217188 -8.912323      5.251045      -8.912323      5.251045      -8.912323      5.251045      8.571415 6.217188 8.571415 6.217188 0.000000       0.000000 
1 1 1 33 0  9  f 63.24090 5.479867 41.30274       6.831601      41.30274       6.831601      41.30274       6.831601      63.24090 5.479867 63.24090 5.479867 0.000000       0.000000 
1 1 1 33 0  10 o 68.71652 5.134577 48.45811       6.978250      48.45811       6.978250      48.45811       6.978250      68.71652 5.134577 68.71652 5.134577 0.000000       0.000000 
1 1 1 33 0  11 o 15.25725 9.472042 2.103393       5.628649      2.103393       5.628649      2.103393       5.628649      15.25725 9.472042 15.25725 9.472042 0.000000       0.000000 
1 1 1 33 0  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 0  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 0  14 o 25.66634 11.31472 9.925409       6.050178      9.925409       6.050178      9.925409       6.050178      25.66634 11.31472 25.66634 11.31472 0.000000       0.000000 
1 1 1 33 0  15 o 134.2149 3.695859 181.7887       9.904156      181.7887       9.904156      181.7887       9.904156      134.2149 3.695859 134.2149 3.695859 0.000000       0.000000 
1 1 1 33 0  16 o 25.71388 11.50196 10.13086       6.252087      10.13086       6.252087      10.13086       6.252087      25.71388 11.50196 25.71388 11.50196 0.000000       0.000000 
1 1 1 33 0  17 o 69.97262 5.960453 51.04395       8.225125      51.04395       8.225125      51.04395       8.225125      69.97262 5.960453 69.97262 5.960453 0.000000       0.000000 
1 1 1 33 0  18 o 25.47206 11.97486 10.40716       6.806097      10.40716       6.806097      10.40716       6.806097      25.47206 11.97486 25.47206 11.97486 0.000000       0.000000 
1 1 1 33 0  19 o 15.18529 9.747780 1.397067       6.492253      1.397067       6.492253      1.397067       6.492253      15.18529 9.747780 15.18529 9.747780 0.000000       0.000000 
1 1 1 33 0  20 o 31.66904 13.43912 16.28731       8.579351      16.28731       8.579351      16.28731       8.579351      31.66904 13.43912 31.66904 13.43912 0.000000       0.000000 
1 1 1 33 0  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 0  22 o 11.26933 8.110295 -9.273635      7.906322      -9.273635      7.906322      -9.273635      7.906322      11.26933 8.110295 11.26933 8.110295 0.000000       0.000000 
1 1 1 33 0  23 o 80.24498 6.054175 68.47895       9.606606      68.47895       9.606606      68.47895       9.606606      80.24498 6.054175 80.24498 6.054175 0.000000       0.000000 
1 1 1 33 0  24 o 55.29287 7.477405 34.60078       8.033843      34.60078       8.033843      34.60078       8.033843      55.29287 7.477405 55.29287 7.477405 0.000000       0.000000 
1 1 1 33 0  25 o 16.79718 10.56015 3.889400       7.247461      3.889400       7.247461      3.889400       7.247461      16.79718 10.56015 16.79718 10.56015 0.000000       0.000000 
1 1 1 33 0  26 o 19.17232 10.72727 6.877649       6.085601      6.877649       6.085601      6.877649       6.085601      19.17232 10.72727 19.17232 10.72727 0.000000       0.000000 
1 1 1 33 0  27 o 13.04360 8.988351 -1.257502      7.332476      -1.257502      7.332476      -1.257502      7.332476      13.04360 8.988351 13.04360 8.988351 0.000000       0.000000 
1 1 1 33 1  0  o 13.64041 8.880883 0.7081684E-01  5.667614      0.7081684E-01  5.667614      0.7081684E-01  5.667614      13.64041 8.880883 13.64041 8.880883 0.000000       0.000000 
1 1 1 33 1  1  o 105.6723 2.714669 112.6438       5.736334      116.6112       8.168448      108.6765       8.055097      107.5433 3.797750 103.8014 3.880053 3.741913       5.429338 
1 1 1 33 1  2  o 40.85155 5.164204 17.51293       4.117522      19.40449       5.891485      15.62845       5.753337      43.47758 6.775314 38.22553 7.795584 5.252048       10.32841 
1 1 1 33 1  3  o 86.13683 2.983968 75.02505       5.139817      77.36294       7.325392      72.61631       7.212039      87.50745 4.185582 84.76620 4.254077 2.741249       5.967937 
1 1 1 33 1  4  o 30.94302 6.245401 10.30797       4.096268      12.47583       5.985001      8.133026       5.594644      33.91351 8.763410 27.97253 8.900718 5.940975       12.49080 
1 1 1 33 1  5  o 42.36547 5.153994 18.90149       4.233708      16.28022       6.003421      21.52276       5.971540      38.93597 7.984109 45.79498 6.519864 -6.859001      10.30799 
1 1 1 33 1  6  o 23.29415 6.159989 4.422156       3.893651      3.417571       5.575515      5.426741       5.435950      22.21889 8.677096 24.36940 8.745849 -2.150515      12.31998 
1 1 1 33 1  7  o 44.46828 4.655495 20.34674       4.137358      19.47534       5.859605      21.22522       5.841893      43.48257 6.737877 45.45398 6.426162 -1.971409      9.310990 
1 1 1 33 1  8  o 100.0996 2.788862 101.2378       5.582600      102.6547       7.920490      99.89171       7.870899      100.7863 3.929348 99.41293 3.958690 1.373398       5.577724 
1 1 1 33 1  9  o 37.74668 5.573078 15.60719       4.196160      8.713958       5.883692      22.50043       5.984292      28.73543 9.126152 46.75792 6.399229 -18.02249      11.14616 
1 1 1 33 1  10 o 24.78812 6.443184 5.443744       4.218830      6.381733       6.031050      4.505753       5.899987      25.90490 9.220575 23.67133 9.002192 2.233568       12.88637 
1 1 1 33 1  11 o 77.79318 3.227744 61.75574       5.012296      69.35743       7.318307      54.15405       6.853562      82.63676 4.427997 72.94960 4.697464 9.687164       6.455489 
1 1 1 33 1  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 1  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 1  14 o 39.31903 5.843291 17.02410       4.453328      17.90258       6.512797      16.14561       6.074974      40.32602 8.356421 38.31204 8.169848 2.013981       11.68658 
1 1 1 33 1  15 o 48.27580 4.665763 24.39199       4.497252      26.68029       6.474541      22.10369       6.242877      50.60690 6.396896 45.94471 6.793902 4.662189       9.331527 
1 1 1 33 1  16 o 34.82756 7.466834 14.37449       5.842602      8.728126       6.794053      20.01376       9.507423      28.58185 9.823668 41.07327 11.24766 -12.49141      14.93367 
1 1 1 33 1  17 o 25.54745 6.484982 5.825599       4.496543      9.897071       6.201787      1.751293       6.512089      29.74022 9.360216 21.35469 8.978105 8.385530       12.96996 
1 1 1 33 1  18 o 25.14139 6.715408 4.774257       5.086684      8.735210       5.982875      0.8104688      8.225125      27.89352 9.221394 22.38925 9.764873 5.504265       13.43082 
1 1 1 33 1  19 o 41.81731 7.182912 20.90641       6.006963      18.46934       7.389152      23.33640       9.472000      39.76166 9.423683 43.87296 10.84302 -4.111298      14.36582 
1 1 1 33 1  20 o 30.77365 7.442916 10.91016       6.284676      16.66279       7.523758      5.157529       10.06710      35.99067 10.06385 25.55664 10.96845 10.43402       14.88583 
1 1 1 33 1  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 1  22 o 33.35284 9.188732 16.55652       9.486169      1.389274       9.535762      31.72447       16.40774      23.14350 10.27331 43.56218 15.23779 -20.41867      18.37746 
1 1 1 33 1  23 o 17.84254 5.869287 -3.684657      5.126357      -1.413361      7.091603      -5.955245      7.403321      18.78535 8.551966 16.89974 8.041018 1.885612       11.73857 
1 1 1 33 1  24 o 28.38796 6.673871 10.10961       4.784883      5.423907       6.959831      14.79247       6.569473      23.18888 9.468492 33.58704 9.407968 -10.39816      13.34774 
1 1 1 33 1  25 f 21.87996 6.249436 4.204661       4.507170      0.8189703      6.848603      7.587519       5.861730      19.25481 8.619178 24.50510 9.051606 -5.250292      12.49887 
1 1 1 33 1  26 o 40.66479 6.027431 22.31623       5.023631      12.36957       7.601687      32.26289       6.569473      28.46874 10.32990 52.86084 6.213932 -24.39211      12.05486 
1 1 1 33 1  27 o 32.24843 6.634942 15.66387       4.568805      14.06985       6.514922      17.25788       6.407238      30.12359 9.606918 34.37327 9.154066 -4.249680      13.26988 
1 1 1 33 2  0  o 8.637645 6.271051 -9.287803      5.379274      -9.287803      5.379274      -9.287803      5.379274      8.637645 6.271051 8.637645 6.271051 0.000000       0.000000 
1 1 1 33 2  1  o 23.49287 6.148245 4.383191       3.937575      2.047426       5.542218      6.719665       5.593935      20.82553 8.467428 26.16020 8.916632 -5.334671      12.29649 
1 1 1 33 2  2  o 63.86096 3.488473 41.38067       4.454745      39.81499       6.231542      42.93926       6.368274      62.64774 4.973476 65.07418 4.893087 -2.426437      6.976946 
1 1 1 33 2  3  o 48.09215 4.326827 23.66229       4.161446      22.30206       5.768923      25.02252       5.998462      46.69881 6.176734 49.48548 6.060830 -2.786671      8.653653 
1 1 1 33 2  4  o 20.21924 5.914243 1.397775       3.919155      2.264212       5.491918      0.5309138      5.593227      20.94884 8.463557 19.48964 8.263249 1.459209       11.82849 
1 1 1 33 2  5  o 113.3850 2.678779 129.7175       6.074974      128.5840       8.643111      130.8510       8.536844      112.8788 3.828491 113.8911 3.747810 -1.012291      5.357557 
1 1 1 33 2  6  o 16.05239 5.128315 -5.519547      3.873815      1.173196       5.443744      -12.21371      5.512463      19.81066 8.261956 12.29412 6.077710 7.516541       10.25663 
1 1 1 33 2  7  o 67.84920 3.475925 46.92785       4.706245      41.58612       6.494378      52.26957       6.813181      63.93884 5.078586 71.75956 4.747229 -7.820721      6.951850 
1 1 1 33 2  8  o 44.82038 4.753710 20.73638       4.253545      19.41158       6.030342      22.06119       6.000587      43.33902 6.957174 46.30173 6.479873 -2.962715      9.507420 
1 1 1 33 2  9  o 51.94589 4.263782 27.88466       4.388151      32.65963       6.287509      23.10970       6.123857      56.52444 5.561762 47.36734 6.464220 9.157101       8.527563 
1 1 1 33 2  10 o 61.54309 3.846559 39.41117       4.662321      28.90483       6.268381      49.91751       6.903862      53.07130 5.905622 70.01488 4.930283 -16.94358      7.693118 
1 1 1 33 2  11 o 26.17672 6.339692 6.837976       4.026840      8.288886       5.796553      5.387067       5.592519      28.04432 9.073713 24.30912 8.856324 3.735195       12.67938 
1 1 1 33 2  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 2  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 2  14 o 97.28630 3.093981 96.42028       6.033884      101.5211       9.068183      91.39028       7.962997      99.77358 4.544381 94.79903 4.199936 4.974556       6.187961 
1 1 1 33 2  15 o 22.68448 6.887016 0.9804973      5.680366      1.573471       6.762172      0.3878774      9.131943      21.68286 9.134015 23.68611 10.30988 -2.003254      13.77403 
1 1 1 33 2  16 o 22.06267 6.453709 -0.4816055     5.316930      5.817098       6.150779      -6.779883      8.671450      24.93285 9.259590 19.19249 8.992299 5.740366       12.90742 
1 1 1 33 2  17 o 32.17017 6.886360 12.46167       5.243960      4.510713       5.466414      20.41050       8.947746      22.79346 8.666053 41.54689 10.70455 -18.75342      13.77272 
1 1 1 33 2  18 f 31.98591 7.528911 10.71179       6.758630      12.71671       5.500420      8.713958       12.34832      33.33228 8.278051 30.63955 12.57823 2.692726       15.05782 
1 1 1 33 2  19 o 20.48095 6.438972 -0.3993542     5.308429      -2.719038      6.000587      1.919904       8.756464      17.22709 7.849018 23.73481 10.20952 -6.507725      12.87794 
1 1 1 33 2  20 o 24.38162 11.44858 -0.8062181     14.33906      -0.8062181     14.33906      ?              ?             24.38162 11.44858 ?        ?        ?              ?        
1 1 1 33 2  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 2  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 2  23 o 39.25297 6.772409 19.62411       5.333225      16.49984       7.814223      22.74130       7.254546      35.25143 10.38825 43.25450 8.691740 -8.003063      13.54482 
1 1 1 33 2  24 o 45.27805 5.869709 24.95167       5.194368      25.97893       8.189702      23.92442       6.395903      44.89820 9.421023 45.65790 7.004158 -0.7596970     11.73942 
1 1 1 33 2  25 o 17.81363 5.680949 -0.9443662     4.473165      -3.870981      6.852854      1.981540       5.750503      16.64437 7.843009 18.98289 8.220701 -2.338516      11.36190 
1 1 1 33 2  26 f 33.44222 5.708736 14.11944       5.096602      0.8380985      7.495420      27.39583       6.903862      19.36280 8.808759 47.52165 7.263913 -28.15886      11.41747 
1 1 1 33 2  27 o 24.29609 6.575069 8.933578       4.733875      15.13253       7.502505      2.735332       5.771757      29.97861 10.32127 18.61357 8.148463 11.36503       13.15014 
1 1 1 33 3  0  o 64.52583 5.225991 42.77632       6.658030      42.77632       6.658030      42.77632       6.658030      64.52583 5.225991 64.52583 5.225991 0.000000       0.000000 
1 1 1 33 3  1  o 62.93743 3.707774 41.59320       4.507879      26.72280       6.053012      56.47069       6.682826      51.16803 5.914838 74.70683 4.472701 -23.53879      7.415548 
1 1 1 33 3  2  o 99.10165 2.806859 99.11240       5.562763      96.84536       7.800055      101.4503       7.934660      97.94795 3.981734 100.2554 3.957225 -2.307411      5.613718 
1 1 1 33 3  3  o 64.40868 3.587302 42.13871       4.620522      41.41609       6.514922      42.85425       6.554596      63.85351 5.101460 64.96384 5.044804 -1.110336      7.174604 
1 1 1 33 3  4  o 46.54491 4.664523 22.34457       4.327932      25.31298       6.282550      19.37616       5.954537      49.70025 6.320441 43.38957 6.861715 6.310680       9.329046 
1 1 1 33 3  5  o 20.50492 5.800019 1.132106       3.907111      5.468539       5.569139      -3.203619      5.481292      24.54556 8.848042 16.46428 7.501534 8.081276       11.60004 
1 1 1 33 3  6  o 21.16791 5.913013 2.568846       3.778173      0.6145110      5.383525      4.523465       5.302053      19.19794 8.121560 23.13787 8.596227 -3.939936      11.82603 
1 1 1 33 3  7  o 19.84189 5.745795 0.7934660      3.835558      4.329349       5.396277      -2.741708      5.451536      22.99558 8.646549 16.68820 7.569268 6.307386       11.49159 
1 1 1 33 3  8  o 87.57172 3.039057 77.64632       5.322598      78.00054       7.509589      77.36294       7.545012      87.75641 4.278656 87.38702 4.317009 0.3693848      6.078113 
1 1 1 33 3  9  o 63.38389 3.749106 41.15396       4.732458      46.36108       6.789093      35.95393       6.593561      67.46991 5.031201 59.29787 5.559694 8.172039       7.498212 
1 1 1 33 3  10 o 61.21945 3.891519 38.37683       4.755837      40.52344       6.658030      36.23022       6.793344      62.98691 5.285249 59.45200 5.713302 3.534912       7.783038 
1 1 1 33 3  11 o 35.95993 5.879612 14.36032       4.231582      9.592437       5.821349      19.13528       6.142985      29.73818 9.011189 42.18167 7.554987 -12.44349      11.75922 
1 1 1 33 3  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 3  13 o 35.21346 12.53734 13.71563       11.15103      13.71563       11.15103      ?              ?             35.21346 12.53734 ?        ?        ?              ?        
1 1 1 33 3  14 o 36.36835 6.515556 13.36140       5.588976      20.07752       5.583308      6.652362       9.684536      43.96989 6.349013 28.76682 11.37980 15.20308       13.03111 
1 1 1 33 3  15 o 37.59608 7.110863 16.67695       5.629357      10.88890       6.386693      22.46501       9.273635      31.20050 9.435481 43.99166 10.64092 -12.79116      14.22173 
1 1 1 33 3  16 o 74.26702 4.481092 58.18514       6.237210      70.39885       6.891819      45.97144       10.40007      83.08085 4.147658 65.45319 7.944664 17.62766       8.962185 
1 1 1 33 3  17 o 19.71456 6.227795 -1.258919      5.077474      -6.492253      5.384942      3.973706       8.607689      14.16022 6.771459 25.26889 10.45414 -11.10867      12.45559 
1 1 1 33 3  18 o 24.86657 6.843967 1.024421       6.445494      8.388069       5.435242      -6.335684      11.68946      27.29380 8.781950 22.43935 10.49938 4.854452       13.68793 
1 1 1 33 3  19 o 32.57183 7.098150 12.78047       5.588976      3.967330       6.298845      21.60069       9.231127      22.88625 9.138301 42.25741 10.86400 -19.37115      14.19630 
1 1 1 33 3  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 3  21 o 21.00669 6.850749 1.322680       6.722499      0.7622941      9.096521      1.883065       9.897071      20.50744 9.465607 21.50594 9.906227 -0.9984989     13.70150 
1 1 1 33 3  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 3  23 o 22.82821 6.435260 5.020089       4.432783      4.095560       6.127400      5.944619       6.406529      21.84978 8.896741 23.80663 9.300446 -1.956852      12.87052 
1 1 1 33 3  24 o 34.08778 6.640982 15.48676       4.829516      10.92433       6.641736      20.05627       7.013672      28.61721 9.715898 39.55836 9.056044 -10.94116      13.28196 
1 1 1 33 3  25 o 48.72672 6.015411 30.44926       5.875190      37.01661       9.592437      23.88191       6.789093      53.68334 8.934278 43.77010 8.057257 9.913246       12.03082 
1 1 1 33 3  26 o 26.56942 7.017977 10.23004       5.298511      9.790804       8.742295      10.67637       5.992085      25.72258 10.57558 27.41626 9.228493 -1.693684      14.03595 
1 1 1 33 3  27 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 4  0  o 25.28258 10.94381 9.379901       5.666197      9.379901       5.666197      9.379901       5.666197      25.28258 10.94381 25.28258 10.94381 0.000000       0.000000 
1 1 1 33 4  1  o 23.56075 6.079376 4.061554       4.007712      8.253463       5.742002      -0.1319137     5.593227      28.19277 9.021883 18.92872 8.151129 9.264042       12.15875 
1 1 1 33 4  2  o 37.05479 5.769792 14.81373       4.162154      13.85732       5.909196      15.77014       5.863855      35.78122 8.393387 38.32835 7.919158 -2.547123      11.53958 
1 1 1 33 4  3  o 36.89453 5.709833 14.67912       4.098393      14.83498       5.691702      14.51618       5.898569      37.13786 7.899480 36.65121 8.246634 0.4866447      11.41967 
1 1 1 33 4  4  o 92.22804 2.882316 86.00604       5.321181      89.97337       7.771716      82.03871       7.268716      94.34624 4.118721 90.10986 4.033252 4.236382       5.764633 
1 1 1 33 4  5  o 20.37363 5.875935 1.700993       3.834849      3.312012       5.321890      0.9096520E-01  5.523799      21.77434 8.482774 18.97293 8.133203 2.801413       11.75187 
1 1 1 33 4  6  o 55.57591 4.039991 31.61112       4.488750      29.14571       6.187618      34.07653       6.505004      53.38827 5.794923 57.76356 5.630717 -4.375286      8.079982 
1 1 1 33 4  7  o 55.97794 3.904857 32.30540       4.329349      38.65313       6.288927      25.95059       5.951704      61.61906 5.103069 50.33681 5.911880 11.28226       7.809714 
1 1 1 33 4  8  o 44.55540 5.021775 21.39524       4.274798      14.55868       5.703745      28.23180       6.369689      36.66389 7.999843 52.44691 6.072513 -15.78301      10.04355 
1 1 1 33 4  9  o 50.11116 5.035050 27.75714       4.802595      15.52218       5.890069      39.98502       7.587519      37.84152 8.026262 62.38079 6.081615 -24.53927      10.07010 
1 1 1 33 4  10 o 82.87593 3.178328 69.78250       5.268047      69.60538       7.318307      69.95962       7.580434      82.79238 4.419674 82.95948 4.568757 -0.1670990     6.356655 
1 1 1 33 4  11 o 31.57946 7.483610 10.31506       5.929033      10.69054       5.941077      9.946663       10.26547      31.17052 9.017381 31.98839 11.94590 -0.8178711     14.96722 
1 1 1 33 4  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 4  13 o 81.86584 4.079257 69.22282       6.632525      70.13673       6.842227      68.30892       11.36357      83.04939 4.119372 80.68230 7.042168 2.367096       8.158515 
1 1 1 33 4  14 o 22.75543 6.699254 2.638983       5.302053      -3.038550      5.069681      8.317224       9.316141      15.66245 7.162250 29.84842 11.32352 -14.18597      13.39851 
1 1 1 33 4  15 o 29.57037 7.412100 9.188620       5.634317      8.650196       6.269090      9.734127       9.365732      28.31544 9.439384 30.82530 11.43044 -2.509859      14.82420 
1 1 1 33 4  16 o 25.47202 7.081372 5.267339       5.496169      5.096602       5.622273      5.438076       9.443663      23.67794 8.841018 27.26609 11.06435 -3.588156      14.16274 
1 1 1 33 4  17 o 38.38045 6.665833 16.53526       5.481292      19.77289       5.839059      13.29764       9.280719      43.12726 6.769570 33.63363 11.48505 9.493626       13.33167 
1 1 1 33 4  18 o 24.52985 6.597834 3.292176       5.278674      8.572267       5.595352      -1.986499      8.954830      27.55972 8.914639 21.49998 9.729073 6.059734       13.19567 
1 1 1 33 4  19 o 36.71414 7.260615 15.88349       5.782383      17.17287       6.568765      14.59411       9.514507      38.71289 8.696971 34.71539 11.62879 3.997501       14.52123 
1 1 1 33 4  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 4  21 o 32.47132 7.418082 14.17612       5.480583      14.24696       7.771716      14.10528       7.729208      32.53933 10.50437 32.40331 10.47711 0.1360245      14.83616 
1 1 1 33 4  22 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 4  23 o 19.67989 6.107623 0.4183408      4.731750      3.743459       6.823808      -2.906778      6.556721      22.07784 9.231517 17.28194 7.999457 4.795891       12.21525 
1 1 1 33 4  24 f 49.18752 5.331044 28.50810       5.235459      27.50210       7.566265      29.51410       7.233293      47.96835 7.886726 50.40668 7.174934 -2.438328      10.66209 
1 1 1 33 4  25 o 23.86115 6.293730 5.992085       4.588642      -0.5249628     6.504296      12.51126       6.474541      17.90165 8.160509 29.82066 9.583854 -11.91901      12.58746 
1 1 1 33 4  26 o 17.50890 5.663861 -0.6709038     4.498669      -4.189075      6.083476      2.847268       6.628983      15.18381 7.245705 19.83399 8.707298 -4.650180      11.32772 
1 1 1 33 5  0  o 18.35240 10.30806 4.827391       5.648486      4.827391       5.648486      4.827391       5.648486      18.35240 10.30806 18.35240 10.30806 0.000000       0.000000 
1 1 1 33 5  1  o 69.58443 3.400346 49.13113       4.733875      48.43685       6.520590      49.81833       6.863481      69.11405 4.717268 70.05480 4.898651 -0.9407501     6.800692 
1 1 1 33 5  2  o 80.85472 3.167821 66.27567       5.123523      62.05329       7.021466      70.49803       7.467082      78.27534 4.485107 83.43410 4.474838 -5.158768      6.335642 
1 1 1 33 5  3  o 66.67738 3.530456 45.29132       4.697035      40.61554       6.524841      49.96711       6.759338      63.18993 5.162880 70.16484 4.816756 -6.974911      7.060912 
1 1 1 33 5  4  o 64.02007 3.536945 41.66405       4.527715      42.86842       6.419991      40.46677       6.385984      64.95513 4.941865 63.08502 5.061411 1.870113       7.073890 
1 1 1 33 5  5  o 51.63208 4.190149 27.29665       4.321556      26.46067       6.271924      28.12554       5.946744      50.79365 6.173925 52.47052 5.666749 -1.676865      8.380298 
1 1 1 33 5  6  o 29.55571 4.877983 7.247461       4.028965      -5.460038      5.501128      19.95000       5.888652      15.11990 7.098128 43.99152 6.692940 -28.87162      9.755965 
1 1 1 33 5  7  o 18.75930 5.693624 -0.2866396     3.903569      1.830639       5.537968      -2.403777      5.502545      20.52368 8.424120 16.99491 7.661828 3.528765       11.38725 
1 1 1 33 5  8  o 68.26622 3.765047 47.77798       5.213497      41.64988       6.098353      53.91318       8.458915      64.00606 4.763888 72.52639 5.831612 -8.520332      7.530095 
1 1 1 33 5  9  o 40.51157 5.844452 17.85299       4.622647      24.99418       5.548594      10.71179       7.396237      49.39822 5.616189 31.62493 10.25129 17.77328       11.68890 
1 1 1 33 5  10 o 65.49464 4.397525 45.22048       6.030342      32.63837       5.960914      57.80967       10.48509      56.47829 5.277172 74.51099 7.035933 -18.03269      8.795050 
1 1 1 33 5  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 5  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 5  13 o 29.30334 6.091917 5.880858       5.163197      15.31673       5.464289      -3.552177      8.763549      37.54065 7.543279 21.06602 9.567901 16.47463       12.18383 
1 1 1 33 5  14 o 56.61632 5.443214 33.99152       6.109688      34.79207       6.954871      33.18388       10.04585      57.92231 6.003621 55.31033 9.081347 2.611980       10.88643 
1 1 1 33 5  15 o 80.46945 5.735198 70.59014       8.827310      52.41126       13.07094      88.76900       11.87365      68.90616 9.484591 92.03274 6.450776 -23.12658      11.47040 
1 1 1 33 5  16 o 20.03844 6.355451 -1.063386      5.280091      -2.907486      5.560638      0.7814224      8.976085      16.51886 7.534247 23.55801 10.23729 -7.039148      12.71090 
1 1 1 33 5  17 o 66.67397 7.016180 50.93769       8.636027      52.56712       6.702662      49.30824       15.91183      71.34798 4.697163 61.99996 13.22285 9.348019       14.03236 
1 1 1 33 5  18 o 34.74110 7.401273 14.68620       5.665489      11.83114       6.426365      17.54835       9.330310      31.83558 9.432111 37.64663 11.40836 -5.811052      14.80255 
1 1 1 33 5  19 o 28.05622 7.314828 8.494337       5.491210      10.77555       7.729208      6.220206       7.800055      30.25770 10.47038 25.85475 10.21754 4.402945       14.62966 
1 1 1 33 5  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 5  21 o 28.60325 6.326066 7.842561       5.117856      18.95817       7.410406      -3.270214      7.058305      39.20122 9.530796 18.00528 8.321081 21.19594       12.65213 
1 1 1 33 5  22 o 35.12643 7.222396 16.98867       5.676116      24.43450       8.912323      9.535762       7.029259      42.78073 10.48391 27.47212 9.936783 15.30860       14.44479 
1 1 1 33 5  23 o 30.28521 6.638429 11.52651       4.872732      5.392026       6.840102      17.65462       6.940702      23.35882 9.442044 37.21159 9.333956 -13.85277      13.27686 
1 1 1 33 5  24 o 21.89945 6.377550 4.352019       4.589351      2.132440       6.592144      6.571599       6.385984      20.07295 8.748414 23.72594 9.282123 -3.652988      12.75510 
1 1 1 33 5  25 o 24.31197 6.685006 7.700871       4.691368      7.141194       6.924408      8.267632       6.330725      23.78188 9.546659 24.84206 9.360478 -1.060179      13.37001 
1 1 1 33 5  26 o 27.69393 7.084817 11.90907       5.069681      10.44966       7.051930      13.37557       7.282885      26.24059 9.880890 29.14727 10.15611 -2.906685      14.16963 
1 1 1 33 6  0  o 44.36882 6.775952 20.90641       5.711539      20.90641       5.711539      20.90641       5.711539      44.36882 6.775952 44.36882 6.775952 0.000000       0.000000 
1 1 1 33 6  1  o 61.72162 3.663558 38.77357       4.522048      39.93543       6.432034      37.61171       6.356938      62.65646 5.132778 60.78678 5.228882 1.869682       7.327116 
1 1 1 33 6  2  o 19.91528 5.858529 1.176739       3.884441      -0.1270963     5.381400      2.480290       5.602437      18.55005 7.991758 21.28051 8.568619 -2.730461      11.71706 
1 1 1 33 6  3  o 36.65710 5.606675 14.53743       4.123189      19.76581       5.945328      9.309056       5.715081      43.78961 6.788514 29.52459 8.924982 14.26502       11.21335 
1 1 1 33 6  4  o 61.33720 3.697998 38.38392       4.537633      41.47985       6.628983      35.28798       6.198245      63.82265 5.193285 58.85176 5.265981 4.970886       7.395996 
1 1 1 33 6  5  o 39.17181 5.761598 16.57069       4.446243      23.02468       5.515297      10.12378       6.975416      47.43135 5.813978 30.91226 9.948955 16.51910       11.52320 
1 1 1 33 6  6  o 44.83493 5.292770 21.21105       4.583683      22.18163       5.620148      20.24047       7.240376      46.49817 6.043408 43.17170 8.690851 3.326466       10.58554 
1 1 1 33 6  7  o 87.95313 3.284028 78.63815       5.740584      81.82619       7.039886      75.37926       9.068183      89.95544 3.912984 85.95081 5.275217 4.004639       6.568056 
1 1 1 33 6  8  o 64.66492 4.522199 43.29349       5.980750      38.28473       5.985001      48.29516       10.35756      61.32093 4.880064 68.00890 7.614860 -6.687977      9.044397 
1 1 1 33 6  9  o 61.32004 4.598599 40.05586       5.981458      26.96367       5.577641      53.14805       10.58427      51.31465 5.434745 71.32542 7.419703 -20.01077      9.197198 
1 1 1 33 6  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 6  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 6  12 o 49.90284 6.166007 27.15496       5.874482      28.79148       5.950287      25.51135       10.13086      52.83076 5.631460 46.97491 10.97111 5.855850       12.33201 
1 1 1 33 6  13 o 87.95430 3.972732 80.05505       6.666531      92.31127       7.048388      67.82717       11.32106      95.45237 3.692096 80.45624 7.035539 14.99613       7.945463 
1 1 1 33 6  14 o 21.41423 6.659522 -0.7424575     5.588976      0.6102603      7.012964      -2.095600      8.706873      21.19988 9.128148 21.62859 9.699167 -0.4287033     13.31904 
1 1 1 33 6  15 o 44.54963 6.513107 22.25956       5.678241      28.43725       6.505713      16.08185       9.309056      52.16467 6.235746 36.93459 11.43668 15.23008       13.02621 
1 1 1 33 6  16 o 32.31852 6.605993 12.07202       4.725374      6.933618       6.116064      17.21538       7.204955      26.00877 9.282548 38.62827 9.401643 -12.61951      13.21199 
1 1 1 33 6  17 f 76.99669 4.372190 62.83968       6.582934      68.37268       7.658363      57.31376       10.71179      81.29608 4.710168 72.69730 7.367393 8.598778       8.744379 
1 1 1 33 6  18 o 34.41133 6.952503 13.60227       5.484125      20.47426       7.587519      6.729583       7.920490      42.05910 9.269573 26.76357 10.36456 15.29553       13.90501 
1 1 1 33 6  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 6  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 6  21 o 40.52898 14.90061 27.04160       15.86224      27.04160       15.86224      ?              ?             40.52898 14.90061 ?        ?        ?              ?        
1 1 1 33 6  22 o 24.49352 6.760528 6.313014       4.868481      8.558097       6.841519      4.068638       6.928658      26.57680 9.784401 22.41025 9.331906 4.166546       13.52106 
1 1 1 33 6  23 o 20.97436 6.334128 2.888358       4.717580      2.196909       6.840810      3.579807       6.497920      20.58638 8.941374 21.36235 8.974217 -0.7759666     12.66826 
1 1 1 33 6  24 o 23.60649 6.665243 6.468165       4.748044      6.863481       6.759338      6.073557       6.669365      23.98781 9.501463 23.22516 9.350083 0.7626534      13.33049 
1 1 1 33 6  25 o 13.83738 4.763663 -7.722124      4.271964      -5.321181      5.892194      -10.12378      6.186910      14.53418 6.982115 13.14059 6.482284 1.393595       9.527326 
1 1 1 33 6  26 o 20.28869 6.185346 4.156487       4.568097      3.336099       6.089143      4.976165       6.810347      19.48028 8.448016 21.09711 9.036870 -1.616833      12.37069 
1 1 1 33 7  0  o 14.00188 8.842519 1.231998       5.149027      1.231998       5.149027      1.231998       5.149027      14.00188 8.842519 14.00188 8.842519 0.000000       0.000000 
1 1 1 33 7  1  o 53.07801 4.421298 29.25198       4.789842      23.19471       5.490501      35.30924       7.849646      47.62460 5.764355 58.53142 6.705498 -10.90682      8.842596 
1 1 1 33 7  2  o 77.23926 3.376639 60.62222       5.178074      63.46310       6.357646      57.77424       8.175533      79.22729 4.012283 75.25124 5.432159 3.976051       6.753278 
1 1 1 33 7  3  o 52.90262 4.666811 28.86232       4.881233      30.91683       6.074266      26.80073       7.644195      55.02431 5.519620 50.78092 7.526641 4.243393       9.333623 
1 1 1 33 7  4  o 76.03664 3.557108 58.85817       5.415406      57.05162       7.204955      60.67181       8.090520      74.92480 4.808124 77.14848 5.243473 -2.223679      7.114215 
1 1 1 33 7  5  o 84.30920 3.260894 72.19124       5.516714      69.71166       6.839394      74.67081       8.657280      82.98875 4.120676 85.62966 5.055072 -2.640915      6.521788 
1 1 1 33 7  6  o 28.68436 6.857070 7.155363       5.256712      10.43549       5.404778      3.875231       9.018591      30.97301 8.479893 26.39571 10.77818 4.577299       13.71414 
1 1 1 33 7  7  o 47.20340 6.381446 24.20780       5.704454      30.22964       5.953120      18.19304       9.734127      54.36171 5.475472 40.04509 11.52869 14.31662       12.76289 
1 1 1 33 7  8  o 25.79285 6.523984 3.445909       5.182325      9.854564       5.588976      -2.963454      8.728126      30.09564 8.758952 21.49007 9.671103 8.605576       13.04797 
1 1 1 33 7  9  o 23.05672 7.596099 -6.765715      8.692703      -4.378940      8.373900      -9.153197      15.23171      20.18583 9.220013 25.92760 12.07453 -5.741768      15.19220 
1 1 1 33 7  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 7  11 o 65.77862 7.294275 48.70606       8.721042      59.38243       9.911241      38.02261       14.35323      75.42141 6.570575 56.13582 13.02510 19.28559       14.58855 
1 1 1 33 7  12 o 36.70843 6.490531 13.66603       5.610938      21.64320       6.036717      5.690993       9.457831      45.57777 6.622437 27.83908 11.16474 17.73868       12.98106 
1 1 1 33 7  13 o 35.48867 6.657383 12.75922       5.664072      18.90858       5.912738      6.616231       9.663282      42.41968 6.969335 28.55765 11.34510 13.86202       13.31477 
1 1 1 33 7  14 o 81.56378 3.677055 68.61356       5.980042      70.42011       7.785885      66.79992       9.082352      82.86699 4.697821 80.26057 5.658041 2.606415       7.354111 
1 1 1 33 7  15 o 25.18662 6.472093 5.265922       4.548261      9.202788       5.904946      1.331181       6.918740      28.82866 9.141280 21.54459 9.164549 7.284065       12.94419 
1 1 1 33 7  16 o 17.87715 5.642891 -3.548635      4.416489      -10.04585      5.945328      2.948576       6.531926      13.56961 6.627778 22.18469 9.134628 -8.615083      11.28578 
1 1 1 33 7  17 o 31.82633 6.718909 11.43441       5.080307      18.20721       7.219123      4.667280       7.148279      39.44695 9.292598 24.20571 9.706832 15.24123       13.43782 
1 1 1 33 7  18 o 39.58583 7.145741 18.73146       5.688868      18.03010       8.281801      19.43283       7.807138      38.62539 10.46242 40.54628 9.735723 -1.920891      14.29148 
1 1 1 33 7  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 7  20 o 18.15018 6.112687 -8.062181      6.401570      -3.054136      7.700871      -13.06385      10.23004      18.59777 8.631808 17.70260 8.657461 0.8951645      12.22537 
1 1 1 33 7  21 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 7  22 f 19.25029 5.999691 0.1013086      4.601394      -3.484166      6.170615      3.686783       6.828058      16.44301 7.668270 22.05756 9.229452 -5.614550      11.99938 
1 1 1 33 7  23 o 22.80741 6.329062 5.351645       4.352019      7.842561       5.975791      2.861437       6.329308      25.12675 9.154716 20.48806 8.741810 4.638693       12.65812 
1 1 1 33 7  24 o 26.94633 6.629701 9.712874       4.534091      12.59627       6.271215      6.832309       6.549637      30.22885 9.392303 23.66382 9.359294 6.565029       13.25940 
1 1 1 33 7  25 o 21.37330 6.106946 3.812179       4.488042      9.861650       6.380316      -2.235874      6.313722      26.26545 9.470282 16.48116 7.713167 9.784292       12.21389 
1 1 1 33 7  26 o 32.41093 7.207338 17.25080       5.210663      18.52601       7.580434      15.97559       7.155363      33.55170 10.30645 31.27016 10.07770 2.281536       14.41468 
1 1 1 33 8  0  o 16.18067 9.886518 2.731790       5.942493      2.731790       5.942493      2.731790       5.942493      16.18067 9.886518 16.18067 9.886518 0.000000       0.000000 
1 1 1 33 8  1  o 78.29311 3.418263 62.40044       5.348103      57.67506       7.417490      67.13289       7.707955      75.29801 4.925422 81.28819 4.741128 -5.990181      6.836525 
1 1 1 33 8  2  o 26.52865 6.278187 5.933992       4.436325      12.14995       6.322224      -0.2788466     6.225166      33.31308 9.193916 19.74422 8.551867 13.56886       12.55637 
1 1 1 33 8  3  o 69.61102 3.746469 49.54911       5.205703      44.85208       7.247461      54.24615       7.474166      66.25891 5.469047 72.96312 5.121880 -6.704208      7.492939 
1 1 1 33 8  4  o 28.31507 6.977420 7.622942       5.239709      1.154068       6.262714      14.09111       8.402238      20.93426 8.803082 35.69587 10.82790 -14.76162      13.95484 
1 1 1 33 8  5  o 25.47139 6.062420 0.9429494      5.108645      12.14995       5.865981      -10.25838      8.366816      33.30393 8.708656 17.63886 8.436295 15.66507       12.12484 
1 1 1 33 8  6  o 24.95978 6.455686 0.6061513      5.525924      9.975000       5.904237      -8.763549      9.344479      30.33749 9.051591 19.58208 9.207183 10.75541       12.91137 
1 1 1 33 8  7  f 66.35627 4.651370 45.93601       6.314431      38.46185       6.930784      53.41727       10.55593      61.21408 5.661102 71.49845 7.381930 -10.28437      9.302740 
1 1 1 33 8  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 8  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 8  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 8  11 o 77.12775 5.636843 63.05929       8.621859      62.28000       7.240376      63.84567       15.64970      78.11691 4.634322 76.13860 10.27711 1.978302       11.27369 
1 1 1 33 8  12 o 38.22562 6.485967 16.60611       4.961997      13.00717       6.045928      20.20504       7.870899      34.11910 8.803849 42.33213 9.526978 -8.213024      12.97193 
1 1 1 33 8  13 o 49.12804 5.859777 26.51735       5.559221      31.04436       7.906322      21.99034       7.821308      54.09109 7.308341 44.16500 9.161665 9.926094       11.71955 
1 1 1 33 8  14 o 47.86021 5.729726 25.29173       5.275840      31.26398       7.637110      19.31948       7.282885      54.37523 7.022601 41.34520 9.055503 13.03003       11.45945 
1 1 1 33 8  15 o 23.24879 6.338192 1.963828       4.866355      10.04585       7.017923      -6.120315      6.742336      29.90621 9.987246 16.59138 7.806769 13.31484       12.67638 
1 1 1 33 8  16 o 25.14182 10.34294 0.000000       0.000000      ?              ?             4.565971       8.366816      ?        ?        25.14182 10.34294 ?              ?        
1 1 1 33 8  17 o 21.64018 6.464941 0.9316140      5.024340      -3.372939      7.056180      5.236167       7.155363      18.43834 8.439184 24.84203 9.796019 -6.403687      12.92988 
1 1 1 33 8  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 8  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 8  20 o 26.12567 6.032625 3.371522       5.093768      -12.00117      6.554596      18.74563       7.800055      13.65124 6.723208 38.60010 10.01842 -24.94886      12.06525 
1 1 1 33 8  21 o 15.30995 5.221999 -7.651280      4.790551      -7.226208      6.748003      -8.076350      6.801137      15.44656 7.432961 15.17334 7.336768 0.2732229      10.44400 
1 1 1 33 8  22 o 55.07943 4.675276 34.07653       5.158237      31.07270       6.939286      37.07328       7.630026      52.67167 6.587303 57.48719 6.636283 -4.815525      9.350552 
1 1 1 33 8  23 o 17.99089 5.730238 -0.1795925     4.342809      -0.2490208     6.134484      -0.1100934     6.150070      17.93698 8.088007 18.04481 8.119522 -0.1078320     11.46048 
1 1 1 33 8  24 o 24.79852 6.590736 7.785885       4.689242      4.036050       6.772090      11.54068       6.488710      21.12681 9.029262 28.47022 9.603314 -7.343409      13.18147 
1 1 1 33 8  25 o 18.52947 5.932980 0.5489793      4.815347      3.457245       6.836560      -2.359144      6.782717      20.27673 8.872485 16.78221 7.879087 3.494522       11.86596 
1 1 1 33 9  0  o 14.51916 9.646900 -0.9160281     7.127024      -0.9160281     7.127024      -0.9160281     7.127024      14.51916 9.646900 14.51916 9.646900 0.000000       0.000000 
1 1 1 33 9  1  o 32.60863 7.066216 10.13795       5.750503      17.15870       7.197870      3.114354       8.969000      39.44614 9.270224 25.77111 10.66717 13.67503       14.13243 
1 1 1 33 9  2  f 30.25463 7.488828 8.572267       5.877316      11.27147       7.023591      5.877316       9.422408      32.20485 9.926373 28.30442 11.21594 3.900433       14.97766 
1 1 1 33 9  3  o 26.71994 7.333200 5.483417       5.727124      1.845517       7.190785      9.124859       8.919409      22.71819 9.486406 30.72170 11.18532 -8.003511      14.66640 
1 1 1 33 9  4  o 28.13816 7.372453 6.585768       5.746961      9.634944       7.304138      3.535883       8.876901      30.34472 10.18887 25.93161 10.65829 4.413111       14.74491 
1 1 1 33 9  5  o 47.59673 6.046681 24.65412       5.584725      19.03610       7.615856      30.26506       8.175533      41.43009 9.404249 53.76337 7.603256 -12.33328      12.09336 
1 1 1 33 9  6  o 20.17411 6.384696 -3.438825      5.469248      -8.593520      7.417490      1.716579       8.040927      16.80225 8.013916 23.54597 9.941554 -6.743719      12.76939 
1 1 1 33 9  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 9  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 9  9  o 107.2179 8.784789 0.000000       0.000000      ?              ?             123.9791       18.83773      ?        ?        107.2179 8.784789 ?              ?        
1 1 1 33 9  10 o 86.19415 3.789412 76.58364       6.513506      85.36844       9.386987      67.79884       9.032760      91.24472 5.143851 81.14359 5.565911 10.10114       7.578824 
1 1 1 33 9  11 o 46.75627 5.947499 24.23614       5.387067      17.08077       7.219123      31.38441       7.998421      38.93775 9.369749 54.57479 7.327944 -15.63705      11.89500 
1 1 1 33 9  12 f 45.57716 6.153034 23.12387       5.400528      23.65520       7.438744      22.59961       7.835476      46.28134 8.340980 44.87299 9.048058 1.408348       12.30607 
1 1 1 33 9  13 o 70.76456 4.873840 52.82925       6.898195      53.48811       10.83223      52.17747       8.543928      70.77386 7.652703 70.75524 6.037665 0.1862335E-01  9.747680 
1 1 1 33 9  14 o 29.67789 7.082295 9.606606       5.083141      6.898195       7.155363      12.31998       7.219123      26.66598 9.970436 32.68979 10.06111 -6.023809      14.16459 
1 1 1 33 9  15 o 39.02304 6.513052 17.80339       5.015839      15.72763       6.876941      19.87916       7.304138      36.61677 9.355161 41.42932 9.064236 -4.812546      13.02610 
1 1 1 33 9  16 o 37.43461 7.863757 17.30748       6.361189      14.16904       8.175533      20.45300       9.748297      34.30956 10.73676 40.55965 11.49246 -6.250095      15.72751 
1 1 1 33 9  17 o 57.84677 4.944308 36.54903       5.735625      29.04653       7.346645      44.05862       8.806056      51.78062 7.094010 63.91292 6.889104 -12.13230      9.888617 
1 1 1 33 9  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 9  19 f 36.31543 7.684539 18.88733       6.519173      8.104689       7.289969      29.67705       10.81097      26.30145 10.00536 46.32940 11.66625 -20.02794      15.36908 
1 1 1 33 9  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 9  21 o 21.47995 6.459491 2.444159       4.971914      5.351645       6.973290      -0.4634691     7.091603      23.58366 9.533282 19.37624 8.718753 4.207420       12.91898 
1 1 1 33 9  22 o 23.54890 6.596673 5.446577       4.905321      10.27963       7.119940      0.6130942      6.748711      27.80180 10.00613 19.29600 8.598938 8.505802       13.19335 
1 1 1 33 9  23 o 30.32417 6.776433 12.56085       4.980416      7.226208       7.162447      17.88841       6.922283      24.28819 9.726198 36.36014 9.438285 -12.07195      13.55287 
1 1 1 33 9  24 o 21.13463 6.317833 3.896485       4.765047      7.927575       6.929367      -0.1328347     6.543260      24.29608 9.621278 17.97318 8.190915 6.322895       12.63567 
1 1 1 33 9  25 o 16.96982 5.644918 -2.340016      4.983250      1.505460       7.304138      -6.186202      6.784843      19.00200 8.658241 14.93765 7.245362 4.064351       11.28984 
1 1 1 33 10 0  o 15.88558 10.58803 -1.275922      8.735210      -1.275922      8.735210      -1.275922      8.735210      15.88558 10.58803 15.88558 10.58803 0.000000       0.000000 
1 1 1 33 10 1  o 41.95948 7.891832 20.09878       6.821682      24.01651       9.705790      16.18104       9.585353      46.09092 10.72150 37.82804 11.58333 8.262878       15.78366 
1 1 1 33 10 2  f 24.91932 7.433918 2.077181       6.351979      2.031132       9.273635      2.123230       8.685618      25.20924 10.66172 24.62939 10.36245 0.5798473      14.86784 
1 1 1 33 10 3  o 28.16463 7.277908 6.839394       5.773174      -0.2580890     7.112856      13.93525       9.089437      20.94825 9.108277 35.38102 11.35390 -14.43277      14.55582 
1 1 1 33 10 4  o 108.7440 5.587315 125.3960       12.37665      109.5975       13.41099      141.1944       20.81431      102.7696 6.524788 114.7185 9.071906 -11.94897      11.17463 
1 1 1 33 10 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 10 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 10 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 10 8  o 48.43095 5.844591 25.37674       5.539385      27.14079       7.955913      23.61270       7.707955      50.56484 7.867041 46.29707 8.645614 4.267776       11.68918 
1 1 1 33 10 9  o 20.12513 6.180962 -1.470746      4.869189      -6.373232      6.621190      3.431740       7.141194      16.48197 7.749769 23.76830 9.631107 -7.286327      12.36192 
1 1 1 33 10 10 o 28.48701 6.666865 7.530843       4.938617      13.33306       6.591435      1.726497       7.353730      34.40989 9.339756 22.56413 9.516160 11.84577       13.33373 
1 1 1 33 10 11 o 61.62283 4.414112 39.68747       5.457204      37.60462       7.019340      41.76323       8.359732      60.17282 5.832651 63.07285 6.627044 -2.900032      8.828223 
1 1 1 33 10 12 o 62.62681 4.363510 40.96268       5.440909      42.98885       7.183701      38.94360       8.168448      64.41637 5.575990 60.83725 6.713361 3.579124       8.727020 
1 1 1 33 10 13 o 21.74797 6.475733 1.304968       4.923031      3.977957       6.675741      -1.367312      7.240376      23.46222 9.392220 20.03373 8.917773 3.428488       12.95147 
1 1 1 33 10 14 o 23.49679 6.486214 3.939700       4.694201      -0.9599522     6.179825      8.841478       7.068224      18.63605 8.271655 28.35753 9.993179 -9.721474      12.97243 
1 1 1 33 10 15 o 26.41234 6.908568 7.183701       4.843685      6.344894       6.602063      8.019674       7.091603      25.39993 9.561281 27.42475 9.974725 -2.024815      13.81714 
1 1 1 33 10 16 o 30.47868 7.193787 10.54885       5.217747      12.30581       7.098687      8.798972       7.651280      32.37723 9.979257 28.58013 10.36420 3.797100       14.38757 
1 1 1 33 10 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 10 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 10 19 o 37.67661 10.49583 23.03885       11.63986      22.15329       16.63445      23.93150       16.28022      37.09883 14.83643 38.25438 14.85025 -1.155544      20.99166 
1 1 1 33 10 20 o 26.54289 6.930951 8.182618       5.076057      4.371856       7.183701      12.00117       7.169532      22.80813 9.500132 30.27766 10.09455 -7.469524      13.86190 
1 1 1 33 10 21 o 35.05795 7.068549 16.42900       5.232625      13.89982       7.119940      18.96525       7.672533      32.26584 10.00418 37.85005 9.988691 -5.584209      14.13710 
1 1 1 33 10 22 o 29.81437 7.191322 12.39082       5.174532      10.81806       7.289969      13.97067       7.346645      28.09427 10.12356 31.53448 10.21636 -3.440207      14.38264 
1 1 1 33 10 23 o 15.55379 5.248799 -5.684617      4.633983      -1.205077      6.722499      -10.16628      6.380316      17.66899 8.148511 13.43859 6.618258 4.230394       10.49760 
1 1 1 33 10 24 o 15.93842 5.316529 -3.079640      4.468206      -2.787758      5.939660      -3.371522      6.677866      15.64488 7.351507 16.23196 7.682270 -0.5870800     10.63306 
1 1 1 33 11 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 11 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 11 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 11 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 11 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 11 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 11 6  o 66.50403 4.463297 46.03519       5.916281      49.16656       8.175533      42.90384       8.551013      68.91730 5.931408 64.09076 6.671019 4.826546       8.926595 
1 1 1 33 11 7  o 39.42412 6.686982 17.48459       5.296385      21.55819       7.134109      13.41099       7.828392      44.36934 8.346060 34.47890 10.45018 9.890442       13.37396 
1 1 1 33 11 8  o 52.51775 5.147962 29.01110       5.386359      30.40675       7.240376      27.61545       7.977167      53.97606 6.707026 51.05945 7.811646 2.916611       10.29592 
1 1 1 33 11 9  o 38.68095 6.251486 16.67695       4.965539      22.88299       6.838685      10.46383       7.197870      46.52211 7.349929 30.83978 10.11449 15.68233       12.50297 
1 1 1 33 11 10 o 57.44451 5.058007 35.11087       5.890777      30.52010       6.893944      39.70164       9.557014      53.99604 6.383750 60.89298 7.847386 -6.896946      10.11601 
1 1 1 33 11 11 o 47.49094 5.624628 24.49826       5.224123      23.74022       6.699120      25.26339       8.019674      47.36958 7.071120 47.61230 8.749001 -0.2427216     11.24926 
1 1 1 33 11 12 o 56.13770 5.359220 33.79315       6.011213      33.26889       8.770633      34.31032       8.225125      55.54417 7.895188 56.73123 7.249205 -1.187057      10.71844 
1 1 1 33 11 13 o 59.46226 4.600676 37.67547       5.485542      33.90651       7.219123      41.44443       8.267632      56.54612 6.383395 62.37839 6.627000 -5.832272      9.201351 
1 1 1 33 11 14 o 24.10067 6.627561 3.901444       4.972623      8.997337       6.867023      -1.191616      7.190785      28.37756 9.864379 19.82377 8.853942 8.553783       13.25512 
1 1 1 33 11 15 o 27.15471 7.323656 6.086309       5.955245      9.677451       7.008713      2.496584       9.627860      29.34648 9.980708 24.96293 10.72050 4.383556       14.64731 
1 1 1 33 11 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 11 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 11 18 o 52.34968 5.864361 31.94409       5.970831      25.55386       7.962997      38.34141       8.898154      46.29970 8.917623 58.39966 7.618328 -12.09996      11.72872 
1 1 1 33 11 19 o 17.73028 5.959505 -6.350562      5.812847      -3.487708      7.941744      -9.209873      8.494337      18.56496 8.673954 16.89560 8.174676 1.669361       11.91901 
1 1 1 33 11 20 o 20.49421 6.283906 0.2402360      5.073223      -5.790176      7.017214      6.270506       7.325392      16.45875 7.829929 24.52967 9.830670 -8.070923      12.56781 
1 1 1 33 11 21 o 65.86414 4.567523 49.08863       6.008380      45.12130       8.331393      53.05595       8.664365      63.01969 6.610151 68.70858 6.305155 -5.688889      9.135047 
1 1 1 33 11 22 o 27.06134 6.911228 9.797889       5.073932      5.214205       7.148279      14.37449       7.204955      22.50485 9.431458 31.61784 10.10484 -9.112989      13.82246 
1 1 1 33 11 23 o 21.12835 6.439921 4.023298       4.981833      3.252502       7.445828      4.793385       6.622607      20.80314 9.175897 21.45357 9.038432 -0.6504288     12.87984 
1 1 1 33 11 24 o 29.11916 7.209784 13.97067       5.201453      14.14070       7.630026      13.80064       7.068932      29.01578 10.36676 29.22253 10.02269 -0.2067471     14.41957 
1 1 1 33 12 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 12 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 12 2  o 50.55874 6.931726 29.29448       6.845770      40.06295       10.15211      18.52601       9.188620      61.20373 8.293706 39.91375 11.10899 21.28998       13.86345 
1 1 1 33 12 3  o 39.60084 7.014946 17.99467       5.658404      12.70963       7.715039      23.27264       8.281801      33.60495 10.41276 45.59673 9.402774 -11.99178      14.02989 
1 1 1 33 12 4  o 28.74457 7.222935 8.359732       5.231208      7.870899       7.502505      8.855647       7.297054      28.28880 10.26251 29.20034 10.16681 -0.9115353     14.44587 
1 1 1 33 12 5  o 33.71123 7.258689 12.74505       5.334641      12.75922       7.757547      12.73088       7.325392      33.73106 10.43931 33.69139 10.08837 0.3966522E-01  14.51738 
1 1 1 33 12 6  o 39.98069 6.863173 18.17887       5.473498      21.62903       8.055097      14.72163       7.417490      43.91975 9.441389 36.04163 9.963572 7.878117       13.72635 
1 1 1 33 12 7  f 26.62756 7.063233 5.774590       5.348103      2.048134       7.977167      9.500339       7.127024      23.50813 9.912668 29.74699 10.06459 -6.238859      14.12647 
1 1 1 33 12 8  o 45.50853 6.295715 22.91842       5.604562      21.06227       8.168448      24.77456       7.679617      42.94128 9.734070 48.07579 7.986990 -5.134514      12.59143 
1 1 1 33 12 9  o 22.62574 6.820039 1.421863       5.450119      0.6928658      7.998421      2.150151       7.410406      22.44148 9.706529 22.80999 9.583060 -0.3685055     13.64008 
1 1 1 33 12 10 o 19.78823 6.151040 -1.560011      4.885483      1.835599       6.371107      -4.955620      7.410406      21.28486 8.911303 18.29159 8.481147 2.993277       12.30208 
1 1 1 33 12 11 o 64.05983 4.492831 43.33599       5.679658      48.69897       7.637110      37.96593       8.409323      68.40643 5.582159 59.71324 7.041422 8.693184       8.985662 
1 1 1 33 12 12 o 32.81338 7.508460 12.79464       5.614480      13.10636       8.076350      12.48292       7.800055      33.15137 10.70890 32.47539 10.52746 0.6759796      15.01692 
1 1 1 33 12 13 o 18.31910 5.746740 -6.412906      4.898236      4.147277       6.718248      -16.97450      7.127024      23.34481 9.390070 13.29338 6.627721 10.05143       11.49348 
1 1 1 33 12 14 o 24.68241 6.851343 4.761505       5.092351      1.416904       7.105771      8.104689       7.297054      21.61087 9.243002 27.75395 10.11586 -6.143085      13.70269 
1 1 1 33 12 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 12 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 12 17 o 28.74254 7.860894 9.372816       6.737377      8.281801       11.08727      10.45675       7.658363      28.32160 11.79984 29.16349 10.38934 -0.8418865     15.72179 
1 1 1 33 12 18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 12 19 o 57.06901 5.183950 37.06620       5.883692      40.76431       8.274716      33.36100       8.366816      60.35468 6.855075 53.78333 7.778260 6.571350       10.36790 
1 1 1 33 12 20 o 15.69374 7.592866 -8.140111      7.325392      -8.140111      7.325392      ?              ?             15.69374 7.592866 ?        ?        ?              ?        
1 1 1 33 12 21 o 34.21221 6.615995 16.13144       5.512463      27.65796       8.210957      4.604228       7.360813      46.08199 9.234853 22.34243 9.476447 23.73955       13.23199 
1 1 1 33 12 22 o 22.47848 6.801198 4.284008       5.765380      0.3706619      8.848563      8.196787       7.389152      20.26246 9.346120 24.69449 9.883078 -4.432032      13.60240 
1 1 1 33 12 23 o 27.57397 7.303690 12.17829       5.439492      12.36248       7.899237      11.99409       7.481250      27.63162 10.44322 27.51632 10.21346 0.1152992      14.60738 
1 1 1 33 13 0  o 69.86757 5.785602 50.57637       7.977167      50.57637       7.977167      50.57637       7.977167      69.86757 5.785602 69.86757 5.785602 0.000000       0.000000 
1 1 1 33 13 1  o 38.57783 6.430833 16.63445       4.887609      16.73363       7.074599      16.53526       6.745878      38.63006 9.262752 38.52560 8.923222 0.1044540      12.86167 
1 1 1 33 13 2  o 51.59004 5.267568 28.19638       5.455787      32.22039       8.295970      24.17237       7.084518      55.27068 7.504857 47.90940 7.393661 7.361279       10.53514 
1 1 1 33 13 3  o 43.48563 6.099690 21.09061       5.270881      27.55877       8.203872      14.62245       6.621899      50.88106 8.061813 36.09019 9.155983 14.79086       12.19938 
1 1 1 33 13 4  o 27.61595 7.144354 7.438744       5.174532      7.700871       7.899237      7.176617       6.684951      28.28145 10.49541 26.95045 9.696057 1.331001       14.28871 
1 1 1 33 13 5  o 22.77494 6.629750 2.773589       4.915238      5.246085       7.651280      0.3008795      6.171323      25.71564 10.13319 19.83424 8.551771 5.881401       13.25950 
1 1 1 33 13 6  o 32.76224 7.207377 12.22788       5.239709      13.07094       7.991336      11.38482       6.775633      33.76949 10.62457 31.75499 9.741848 2.014502       14.41475 
1 1 1 33 13 7  o 46.89578 6.106436 24.22197       5.577641      23.54894       8.657280      24.89499       7.032093      45.35090 9.821863 48.44066 7.258461 -3.089760      12.21287 
1 1 1 33 13 8  o 26.57635 5.559224 0.9259465E-01  5.009462      -17.02410      7.530843      17.20829       6.608438      14.00726 6.959676 39.14545 8.670802 -25.13819      11.11845 
1 1 1 33 13 9  o 24.30140 6.840516 4.264880       5.053387      2.647484       7.438744      5.882984       6.845061      23.14800 9.656118 25.45481 9.691750 -2.306803      13.68103 
1 1 1 33 13 10 o 19.07403 5.967137 -4.811096      5.107938      -13.00717      7.807138      3.388525       6.591435      15.47344 7.566306 22.67462 9.229189 -7.201177      11.93427 
1 1 1 33 13 11 o 26.54398 6.824244 6.308055       5.106521      1.710202       7.807138      10.90307       6.580100      22.49833 9.657627 30.58962 9.644243 -8.091291      13.64849 
1 1 1 33 13 12 o 51.17417 6.185719 29.68413       6.259171      33.64437       10.10252      25.72388       7.389152      53.71623 9.764131 48.63211 7.596988 5.084114       12.37144 
1 1 1 33 13 13 o 25.54221 7.386825 5.110771       6.067889      8.664365       9.918325      1.556469       6.993836      29.52489 11.56436 21.55952 9.193820 7.965361       14.77365 
1 1 1 33 13 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 13 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 13 16 o 25.79712 7.336796 6.104729       6.262714      15.10419       10.27255      -2.896151      7.162447      33.31884 12.01627 18.27540 8.421610 15.04344       14.67359 
1 1 1 33 13 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 13 18 o 33.51396 7.206243 14.94833       5.336059      18.66770       8.218040      11.22188       6.804679      37.41689 10.53591 29.61104 9.834340 7.805851       14.41249 
1 1 1 33 13 19 o 21.63525 6.518836 3.503294       4.973331      5.314096       7.722124      1.692491       6.269090      23.59474 9.840135 19.67576 8.552933 3.918980       13.03767 
1 1 1 33 13 20 o 24.68352 6.958835 6.612689       5.454370      2.211078       7.870899      11.01642       7.552096      21.16132 9.371008 28.20572 10.29008 -7.044407      13.91767 
1 1 1 33 13 21 o 22.85098 6.561352 5.037092       5.078182      0.7863815      7.771716      9.287803       6.539719      19.76143 8.984643 25.94053 9.564600 -6.179102      13.12270 
1 1 1 33 13 22 o 16.47170 5.533197 -3.360187      4.885483      -1.517504      7.509589      -5.203578      6.249253      17.99769 8.418899 14.94572 7.182426 3.051978       11.06639 
1 1 1 33 13 23 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 14 0  o 30.87962 12.04882 13.78647       7.073183      13.78647       7.073183      13.78647       7.073183      30.87962 12.04882 30.87962 12.04882 0.000000       0.000000 
1 1 1 33 14 1  o 63.94498 4.291864 43.32183       5.375024      54.77041       7.821308      31.86616       7.374983      72.82438 5.369979 55.06558 6.696546 17.75880       8.583729 
1 1 1 33 14 2  o 62.87795 4.265247 41.18938       5.362980      40.07003       7.559181      42.30874       7.608772      61.99641 6.096467 63.75949 5.966775 -1.763088      8.530494 
1 1 1 33 14 3  o 48.62457 5.521071 25.85849       5.128483      20.43175       7.297054      31.28523       7.212039      42.67250 8.847207 54.57664 6.607258 -11.90414      11.04214 
1 1 1 33 14 4  o 30.99473 6.873523 10.66928       4.859979      13.74396       6.920157      7.594603       6.825933      34.65459 9.639188 27.33487 9.801395 7.319729       13.74705 
1 1 1 33 14 5  o 25.82359 6.848567 6.199661       4.793385      6.847895       6.831601      5.552136       6.725333      26.53608 9.776540 25.11109 9.593265 1.424990       13.69713 
1 1 1 33 14 6  o 28.34536 6.346242 6.627566       5.144777      18.53310       7.998421      -5.278674      6.475249      40.01698 10.00928 16.67374 7.804712 23.34324       12.69248 
1 1 1 33 14 7  f 66.10625 4.652244 46.35400       5.996336      38.19972       8.976085      54.50828       7.955913      59.73458 7.513307 72.47792 5.488508 -12.74334      9.304488 
1 1 1 33 14 8  o 30.92397 7.204841 10.78264       5.265214      9.472000       8.062181      12.09327       6.777050      29.55436 10.64660 32.29358 9.710247 -2.739212      14.40968 
1 1 1 33 14 9  o 16.06828 5.520686 -10.97392      5.496169      -8.465999      8.246379      -13.48184      7.268716      17.64639 8.424451 14.49016 7.137262 3.156221       11.04137 
1 1 1 33 14 10 o 20.00191 6.444252 -2.266337      5.661947      0.8579351      9.202788      -5.390610      6.604187      23.39285 10.26457 16.61097 7.794363 6.781883       12.88850 
1 1 1 33 14 11 o 28.55438 7.631672 8.600604       6.062222      10.54176       10.04585      6.658030       6.789093      31.15121 11.77595 25.95755 9.710642 5.193657       15.26334 
1 1 1 33 14 12 o 37.60047 8.793003 16.81865       9.309056      14.88457       16.99576      18.75980       7.615856      35.50527 14.68947 39.69568 9.668866 -4.190411      17.58601 
1 1 1 33 14 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 14 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 14 15 o 38.42435 8.160842 19.60995       7.495420      18.89441       13.06385      20.31840       7.353730      35.99278 13.46922 40.85593 9.218327 -4.863155      16.32168 
1 1 1 33 14 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 14 17 o 36.85670 8.163311 20.14128       6.982501      28.72064       12.08619      11.56193       6.998795      43.76931 12.92615 29.94409 9.973624 13.82521       16.32662 
1 1 1 33 14 18 o 37.26939 7.544261 19.11403       6.361189      17.81756       10.67637      20.41050       6.918740      34.11034 12.25528 40.42846 8.801803 -6.318119      15.08852 
1 1 1 33 14 19 o 17.73718 5.810252 -2.471788      4.917363      2.283340       7.665448      -7.226208      6.164948      21.09153 9.305744 14.38284 6.959831 6.708686       11.62050 
1 1 1 33 14 20 o 20.86723 6.143528 3.294301       4.514255      8.246379       6.632525      -1.657777      6.126691      24.93250 9.526318 16.80196 7.760218 8.130537       12.28706 
1 1 1 33 14 21 o 19.51727 6.049347 2.398109       4.555345      1.101642       6.589310      3.695284       6.292469      18.70480 8.411144 20.32975 8.696611 -1.624950      12.09869 
1 1 1 33 14 22 o 25.40269 6.371980 8.876901       4.660904      15.85515       6.646695      1.892983       6.536176      32.17931 9.604418 18.62608 8.376376 13.55322       12.74396 
1 1 1 33 15 0  o 30.63101 11.70420 13.41808       6.728875      13.41808       6.728875      13.41808       6.728875      30.63101 11.70420 30.63101 11.70420 0.000000       0.000000 
1 1 1 33 15 1  o 34.28877 6.214592 13.24805       4.768589      21.61486       6.876941      4.881233       6.607021      44.26464 8.066780 24.31290 9.455774 19.95175       12.42918 
1 1 1 33 15 2  o 47.30685 5.484451 24.28573       5.050553      26.12062       7.029259      22.45792       7.254546      49.64255 7.079874 44.97116 8.378078 4.671391       10.96890 
1 1 1 33 15 3  o 46.05299 5.610023 23.10970       5.060471      23.85357       7.176617      22.37291       7.134109      47.19869 7.602560 44.90729 8.251698 2.291401       11.22005 
1 1 1 33 15 4  o 55.73830 4.807144 32.96426       5.343143      29.89667       7.509589      36.03186       7.601687      53.00643 7.083658 58.47016 6.500485 -5.463730      9.614287 
1 1 1 33 15 5  o 21.45009 6.166833 -0.5936117E-01 4.762213      7.559181       6.699120      -7.679617      6.771382      26.97610 9.706223 15.92408 7.609766 11.05202       12.33367 
1 1 1 33 15 6  o 27.18640 6.867097 7.516674       4.916656      11.39190       7.091603      3.635066       6.814599      31.30750 10.02700 23.06530 9.385489 8.242207       13.73419 
1 1 1 33 15 7  o 24.11373 6.978129 2.439908       5.814264      -2.290425      9.280719      7.169532       7.007296      21.72637 9.862057 26.50109 9.875070 -4.774717      13.95626 
1 1 1 33 15 8  f 33.75535 7.049711 12.31289       5.911322      5.491210       9.571183      19.13528       6.937160      26.76303 11.04493 40.74767 8.763741 -13.98463      14.09942 
1 1 1 33 15 9  o 19.45349 6.400054 -4.765755      6.058680      -5.338893      9.925409      -4.192617      6.949204      21.09393 9.793889 17.81306 8.241511 3.280870       12.80011 
1 1 1 33 15 10 o 22.56721 7.606223 -3.607436      8.791886      2.033257       16.11019      -9.245295      7.039886      29.50904 13.21417 15.62539 7.536857 13.88365       15.21245 
1 1 1 33 15 11 o 29.12916 8.929337 10.84640       9.819141      14.95542       16.81865      6.733126       10.15211      32.05807 13.97278 26.20025 11.12176 5.857824       17.85867 
1 1 1 33 15 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 15 13 o 30.98712 13.76896 0.000000       0.000000      ?              ?             25.07211       17.18704      ?        ?        30.98712 13.76896 ?              ?        
1 1 1 33 15 14 o 25.29470 7.796921 3.623731       7.566265      3.108686       12.21371      4.138067       8.947746      26.10439 11.60234 24.48502 10.41891 1.619371       15.59384 
1 1 1 33 15 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 15 16 o 19.42947 6.022408 -5.409029      5.467123      -16.62736      8.636027      5.806470       6.704788      15.01433 7.459067 23.84462 9.457269 -8.830296      12.04482 
1 1 1 33 15 17 f 22.98630 6.777970 4.526299       5.290718      3.129940       8.225125      5.922657       6.657322      22.39956 9.767161 23.57303 9.400322 -1.173466      13.55594 
1 1 1 33 15 18 o 23.54378 7.161427 6.008380       6.167073      9.911241       10.63386      2.101976       6.248545      27.34742 11.48405 19.74013 8.559252 7.607290       14.32285 
1 1 1 33 15 19 o 28.42376 7.189293 11.90907       5.394860      17.80339       8.494337      6.011921       6.651654      34.00092 10.98244 22.84659 9.280615 11.15433       14.37859 
1 1 1 33 15 20 o 20.91803 6.459250 3.649944       5.213497      3.622314       8.395153      3.678282       6.182659      21.55198 9.597857 20.28408 8.646894 1.267900       12.91850 
1 1 1 33 15 21 o 22.25247 6.723121 6.559555       5.360146      10.87473       8.621859      2.243667       6.368274      25.66099 10.51832 18.84394 8.376532 6.817055       13.44624 
1 1 1 33 16 0  o 10.41606 7.565741 -12.81589      7.856731      -12.81589      7.856731      -12.81589      7.856731      10.41606 7.565741 10.41606 7.565741 0.000000       0.000000 
1 1 1 33 16 1  f 27.47412 7.214298 7.899237       5.338184      10.10252       8.281801      5.692410       6.735959      30.07360 10.79489 24.87464 9.573646 5.198954       14.42860 
1 1 1 33 16 2  o 54.22041 5.404848 32.24873       5.912738      37.71089       9.259464      26.77948       7.353730      58.70829 7.885994 49.73252 7.393281 8.975777       10.80970 
1 1 1 33 16 3  o 28.25655 7.457082 7.630026       6.065056      5.299220       10.08835      9.960832       6.731709      27.03118 11.25856 29.48192 9.781469 -2.450735      14.91416 
1 1 1 33 16 4  o 49.16470 6.831468 28.03344       6.547511      26.55986       10.57010      29.51410       7.729208      46.19547 11.47718 52.13393 7.412840 -5.938461      13.66294 
1 1 1 33 16 5  f 30.14699 7.433787 9.124859       6.119606      4.709787       9.996255      13.54560       7.059722      26.52757 11.13685 33.76642 9.849633 -7.238853      14.86757 
1 1 1 33 16 6  o 26.44218 7.357528 5.936826       5.907779      4.378940       9.521592      7.495420       6.995253      26.01278 10.89260 26.87157 9.893644 -0.8587952     14.71506 
1 1 1 33 16 7  o 23.13008 7.106948 1.136357       6.175574      0.6194702      9.819141      1.653526       7.495420      24.02548 10.57204 22.23469 9.500883 1.790791       14.21390 
1 1 1 33 16 8  o 31.43424 7.843525 11.29981       6.466748      18.24972       10.12378      4.342101       8.055097      38.11173 11.95198 24.75674 10.16040 13.35499       15.68705 
1 1 1 33 16 9  o 19.77198 6.627572 -8.444746      7.332476      -15.54343      11.06602      -1.340391      9.620775      18.00751 8.863375 21.53646 9.855933 -3.528957      13.25514 
1 1 1 33 16 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 16 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 16 12 o 19.94156 6.350156 -0.7615856     5.372899      -2.246501      7.552096      0.7226208      7.644195      19.02353 8.716908 20.85960 9.236527 -1.836071      12.70031 
1 1 1 33 16 13 o 45.53030 17.04820 40.89892       20.93475      40.89892       20.93475      ?              ?             45.53030 17.04820 ?        ?        ?              ?        
1 1 1 33 16 14 o 32.14975 7.383193 13.63770       5.766797      10.65512       9.018591      16.62736       7.183701      28.61405 11.06416 35.68544 9.779087 -7.071383      14.76639 
1 1 1 33 16 15 o 31.70030 7.209321 12.83715       5.522382      9.578268       8.600604      16.09602       6.931493      27.89885 10.80118 35.50175 9.551531 -7.602901      14.41864 
1 1 1 33 16 16 o 25.97228 6.668342 6.731709       5.209954      0.8997338E-01  7.977167      13.37557       6.699120      20.25923 9.174329 31.68532 9.679814 -11.42609      13.33668 
1 1 1 33 16 17 o 17.72985 5.814130 -2.957078      5.078891      -5.852520      7.984251      -0.6094810E-01 6.275465      17.24385 8.245889 18.21586 8.198887 -0.9720039     11.62826 
1 1 1 33 16 18 o 24.17865 7.323358 6.937160       6.732417      7.778800       11.73905      6.097645       6.591435      25.47827 11.34784 22.87902 9.260283 2.599247       14.64672 
1 1 1 33 16 19 o 27.93041 6.860477 10.74013       5.262380      6.024674       8.182618      15.45842       6.621899      22.98672 9.877882 32.87410 9.523237 -9.887373      13.72095 
1 1 1 33 16 20 o 18.81213 5.978890 -0.9287803     5.271589      -7.488335      8.281801      5.630066       6.524132      16.10149 7.856491 21.52276 9.014657 -5.421270      11.95778 
1 1 1 33 17 0  o 36.82529 14.42576 20.52385       10.12378      20.52385       10.12378      20.52385       10.12378      36.82529 14.42576 36.82529 14.42576 0.000000       0.000000 
1 1 1 33 17 1  o 25.26019 7.465095 3.677573       6.381733      1.828514       9.464915      5.526632       8.558097      24.35330 10.54653 26.16708 10.56794 -1.813780      14.93019 
1 1 1 33 17 2  o 28.48499 7.865434 7.622942       6.626858      12.01534       10.01751      3.226998       8.678535      32.40594 11.84844 24.56404 10.34768 7.841902       15.73087 
1 1 1 33 17 3  o 36.19635 8.251345 16.15270       6.866314      19.93583       10.56302      12.36248       8.777717      39.86476 12.15022 32.52794 11.16740 7.336819       16.50269 
1 1 1 33 17 4  o 24.14622 7.455711 1.241207       6.809639      1.317012       10.28672      1.165403       8.926493      24.85674 10.87993 23.43571 10.19694 1.421038       14.91142 
1 1 1 33 17 5  o 43.86330 7.845068 23.88899       7.332476      14.45242       10.69762      33.32557       10.03876      34.37313 12.27563 53.35349 9.771856 -18.98036      15.69014 
1 1 1 33 17 6  o 26.20323 7.789436 4.575181       7.254546      11.54068       10.64095      -2.391025      9.868733      30.72498 11.98970 21.68148 9.947279 9.043497       15.57887 
1 1 1 33 17 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 17 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 17 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 17 10 o 26.40285 7.231029 6.526258       6.154321      16.98867       9.634944      -3.936158      7.658363      34.64539 11.70218 18.16032 8.497655 16.48507       14.46206 
1 1 1 33 17 11 o 27.15893 7.048141 7.750463       5.412572      13.43225       7.665448      2.067971       7.644195      32.40677 10.42939 21.91108 9.483296 10.49569       14.09628 
1 1 1 33 17 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 17 13 o 29.59178 7.374455 9.337394       6.505004      15.96850       7.367898      2.706994       10.71888      34.93180 10.02140 24.25176 10.82136 10.68003       14.74891 
1 1 1 33 17 14 o 30.87342 6.877243 12.33415       4.898944      15.90474       6.942828      8.756464       6.912364      35.05876 9.616565 26.68808 9.834001 8.370682       13.75449 
1 1 1 33 17 15 o 33.37632 6.197742 14.46659       4.865647      24.12987       7.049096      4.796218       6.709747      44.35059 8.255122 22.40204 9.246673 21.94855       12.39548 
1 1 1 33 17 16 o 26.29524 6.890129 9.131943       4.851478      10.63386       6.991002      7.630026       6.728875      27.85008 9.925861 24.74041 9.558909 3.109669       13.78026 
1 1 1 33 17 17 o 20.41407 6.227508 2.833099       4.731750      0.9486170E-01  6.750837      5.571265       6.631817      18.46582 8.389768 22.36232 9.205391 -3.896507      12.45502 
1 1 1 33 17 18 o 23.90601 6.959788 7.467082       5.453662      7.367898       8.572267      7.566265       6.740210      23.95938 10.19668 23.85265 9.475352 0.1067276      13.91958 
1 1 1 33 17 19 o 16.75762 5.646966 -2.991792      5.160363      0.5891485      8.069265      -6.573016      6.433450      19.09787 8.853133 14.41736 7.012482 4.680516       11.29393 
1 1 1 33 18 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 18 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 18 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 18 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 18 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 18 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 18 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 18 7  o 17.93749 6.146683 -8.288886      6.769965      -13.17012      8.614774      -3.401277      10.44258      15.49289 7.644232 20.38209 9.627697 -4.889204      12.29337 
1 1 1 33 18 8  o 20.19412 6.546732 -1.958161      5.996336      -5.331808      7.190785      1.415487       9.599521      17.12703 8.059800 23.26121 10.31884 -6.134186      13.09346 
1 1 1 33 18 9  o 44.20924 11.99234 38.01552       15.01209      34.35283       21.65029      41.68530       20.79306      41.89372 16.85437 46.52476 17.06445 -4.631042      23.98469 
1 1 1 33 18 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 18 11 o 28.89891 7.266547 10.32214       5.561347      13.31889       7.105771      7.325392       8.558097      31.86564 10.01723 25.93218 10.52929 5.933460       14.53309 
1 1 1 33 18 12 o 25.65132 7.108107 7.445828       5.406196      3.587600       6.752253      11.31397       8.444746      21.87967 9.167830 29.42297 10.86516 -7.543301      14.21621 
1 1 1 33 18 13 o 23.19681 6.867359 5.012296       5.372190      3.072555       7.020757      6.951329       8.133026      21.36621 9.164542 25.02741 10.23004 -3.661203      13.73472 
1 1 1 33 18 14 o 21.27858 6.565626 2.409445       5.403362      4.133816       6.735251      0.6847187      8.451830      21.75854 9.138459 20.79861 9.429652 0.9599361      13.13125 
1 1 1 33 18 15 o 21.05424 6.505757 3.074681       5.190826      2.377564       6.758630      3.771798       7.877984      20.17687 8.825334 21.93162 9.561013 -1.754745      13.01151 
1 1 1 33 18 16 o 21.17516 6.390636 3.209286       5.042051      7.183701       6.738793      -0.7672533     7.502505      23.72840 9.459116 18.62191 8.595700 5.106493       12.78127 
1 1 1 33 18 17 o 40.07983 7.115490 23.59144       5.727124      21.95492       7.339560      25.22797       8.791886      39.55573 9.402960 40.60393 10.68200 -1.048206      14.23098 
1 1 1 33 18 18 o 23.28069 6.739327 7.580434       5.280091      0.6417156      6.543260      14.51618       8.288886      17.86674 8.156339 28.69463 10.73072 -10.82790      13.47865 
1 1 1 33 19 0  o 14.39900 10.12067 -4.539759      10.53468      -4.539759      10.53468      -4.539759      10.53468      14.39900 10.12067 14.39900 10.12067 0.000000       0.000000 
1 1 1 33 19 1  o 26.06358 7.452397 4.054470       7.445828      -13.31889      10.29380      21.42358       10.75430      16.97321 8.370162 35.15396 12.33261 -18.18075      14.90479 
1 1 1 33 19 2  f 18.20699 6.115690 -7.212039      6.213830      0.8125942      8.834394      -15.23880      8.735210      21.22262 9.630309 15.19136 7.540808 6.031254       12.23138 
1 1 1 33 19 3  o 17.20424 5.806603 -6.958413      5.582600      -10.32214      7.679617      -3.596101      8.104689      15.60183 7.604190 18.80666 8.777407 -3.204822      11.61321 
1 1 1 33 19 4  o 48.78423 6.269686 28.24597       5.961622      30.52010       8.281801      25.97893       8.572267      51.66649 8.014673 45.90196 9.643695 5.764530       12.53937 
1 1 1 33 19 5  o 20.96702 6.470200 -1.598976      5.633609      5.601728       7.452912      -8.798972      8.451830      24.55827 9.885195 17.37577 8.350859 7.182503       12.94040 
1 1 1 33 19 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 19 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 19 8  o 25.70138 7.437174 6.066473       6.592144      9.117774       7.403321      3.017296       10.91016      27.07799 10.13830 24.32476 10.88398 2.753235       14.87435 
1 1 1 33 19 9  f 35.55678 7.083515 16.30856       5.773882      22.57127       7.459997      10.03876       8.813140      42.79161 9.000851 28.32195 10.94026 14.46966       14.16703 
1 1 1 33 19 10 o 23.05033 6.607655 2.580181       5.467123      -8.281801      6.528384      13.44641       8.770633      14.73222 7.134649 31.36845 11.12390 -16.63623      13.21531 
1 1 1 33 19 11 o 23.96232 6.868013 5.716498       5.273715      7.743378       6.852854      3.687491       8.019674      25.34598 9.683560 22.57866 9.742025 2.767321       13.73603 
1 1 1 33 19 12 o 23.69679 6.526293 1.071888       5.923365      11.82406       6.703371      -9.677451      9.769550      29.55416 9.760863 17.83941 8.665770 11.71475       13.05259 
1 1 1 33 19 13 o 32.64112 7.510175 15.67095       5.645652      13.13470       7.226208      18.20012       8.678535      30.46177 10.13437 34.82048 11.08628 -4.358719      15.02035 
1 1 1 33 19 14 o 21.31765 6.388953 2.091350       5.251045      -7.537927      6.586476      11.72488       8.182618      14.64468 7.114343 27.99062 10.61419 -13.34593      12.77791 
1 1 1 33 19 15 o 17.52858 5.797744 -2.050968      5.082433      -3.511796      6.617648      -0.5895736     7.715039      16.25127 7.672285 18.80589 8.694329 -2.554621      11.59549 
1 1 1 33 19 16 o 17.99146 5.880146 -1.625188      5.217747      2.332223       6.687785      -5.582600      8.012589      19.35015 8.594703 16.63278 8.027175 2.717373       11.76029 
1 1 1 33 20 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 20 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 20 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 20 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 33 20 4  o 26.19525 6.832949 6.756505       5.408321      -1.275922      7.573349      14.79247       7.722124      19.31852 8.806194 33.07198 10.45025 -13.75346      13.66590 
1 1 1 33 20 5  o 23.82692 6.955636 5.029299       5.455787      6.871274       7.339560      3.187325       8.076350      25.04436 9.906895 22.60948 9.766110 2.434879       13.91127 
1 1 1 33 20 6  o 24.26694 6.958449 5.825599       5.282216      3.860354       6.993836      7.792970       7.920490      22.34343 9.344406 26.19044 10.31320 -3.847017      13.91690 
1 1 1 33 20 7  o 23.64850 6.877280 4.446243       5.469248      7.785885       7.240376      1.106602       8.196787      25.88424 9.934872 21.41277 9.512426 4.471476       13.75456 
1 1 1 33 20 8  o 27.68116 7.180134 9.670367       5.427449      4.596435       7.098687      14.74997       8.210957      22.76912 9.461276 32.59320 10.80285 -9.824076      14.36027 
1 1 1 33 20 9  o 17.78823 5.960881 -4.759379      5.630774      -2.587266      8.501422      -6.930784      7.389152      19.34007 9.012128 16.23640 7.804482 3.103668       11.92176 
1 1 1 33 20 10 o 19.68293 6.217945 0.7339560      5.027883      1.800176       6.777758      -0.3326181     7.431659      20.04430 8.802014 19.32156 8.784981 0.7227421      12.43589 
1 1 1 33 20 11 o 22.32781 6.643194 4.609187       5.132025      0.9457831      6.660155      8.274716       7.807138      19.19152 8.547640 25.46410 10.17182 -6.272585      13.28639 
1 1 1 33 20 12 o 22.96850 6.989563 5.798677       5.873065      0.5626523      6.660863      11.03768       9.677451      18.71187 8.433158 27.22513 11.14889 -8.513264      13.97913 
1 1 1 33 20 13 o 17.99655 5.877364 -0.9939578     4.964122      -2.249334      6.827350      0.2610645      7.204955      17.12945 8.017323 18.86364 8.596288 -1.734186      11.75473 
1 1 1 33 20 14 o 26.78780 7.092728 10.86765       5.125648      10.51342       7.190785      11.22188       7.304138      26.45677 9.974277 27.11884 10.08667 -0.6620674     14.18546 
1 1 1 33 20 15 o 18.62155 5.944791 0.7017215      4.884067      5.043468       6.799720      -3.639317      7.012964      21.03446 9.020578 16.20863 7.745407 4.825830       11.88958 
1 1 1 33 21 0  o 20.05645 11.57344 6.903154       7.346645      6.903154       7.346645      6.903154       7.346645      20.05645 11.57344 20.05645 11.57344 0.000000       0.000000 
1 1 1 33 21 1  f 24.52034 6.917511 6.162114       5.193660      3.579099       7.212039      8.742295       7.474166      22.20724 9.397668 26.83343 10.15341 -4.626190      13.83502 
1 1 1 33 21 2  o 27.74168 7.210207 9.436578       5.568431      15.64262       8.522675      3.235499       7.169532      33.61005 11.00601 21.87332 9.317516 11.73674       14.42041 
1 1 1 33 21 3  o 39.10072 6.448541 19.75872       5.418239      29.32282       7.892153      10.19462       7.424574      50.06851 7.881354 28.13292 10.20877 21.93559       12.89708 
1 1 1 33 21 4  o 36.62914 7.023120 17.85299       5.312680      20.04918       7.545012      15.65678       7.474166      39.22239 9.667460 34.03590 10.19005 5.186489       14.04624 
1 1 1 33 21 5  o 50.41603 5.652063 30.25089       5.696661      29.66996       8.040927      30.83182       8.076350      49.86095 8.063351 50.97112 7.922477 -1.110161      11.30413 
1 1 1 33 21 6  o 26.10925 7.060325 8.664365       5.149736      7.955913       7.127024      9.372816       7.438744      25.40313 9.832952 26.81538 10.13439 -1.412245      14.12065 
1 1 1 33 21 7  o 23.06590 6.686167 5.304887       5.008754      7.906322       7.148279      2.700618       7.020049      25.25147 9.832454 20.88034 9.063231 4.371124       13.37233 
1 1 1 33 21 8  o 23.60623 6.681623 5.719331       5.042051      9.982086       7.091603      1.455160       7.169532      27.16158 9.965325 20.05088 8.903295 7.110703       13.36325 
1 1 1 33 21 9  o 18.08702 5.784326 -4.862813      5.134150      5.149736       6.853562      -14.87749      7.644195      22.33567 9.289779 13.83838 6.894470 8.497282       11.56865 
1 1 1 33 21 10 o 24.42064 6.639816 6.388818       5.170281      12.28455       6.767839      0.4940034      7.821308      29.19737 9.807690 19.64392 8.953092 9.553448       13.27963 
1 1 1 33 21 11 o 19.71672 6.251544 1.220662       5.237584      3.548635       6.785551      -1.106602      7.977167      20.63577 8.933125 18.79767 8.747942 1.838095       12.50309 
1 1 1 33 21 12 o 29.45226 7.290630 13.69437       5.438076      9.110690       7.162447      18.27806       8.189702      25.11085 9.828948 33.79368 10.77056 -8.682827      14.58126 
1 1 1 33 21 13 o 16.87209 5.659681 -2.714787      5.108645      -4.509295      6.874108      -0.9209872     7.559181      15.75162 7.560766 17.99256 8.423942 -2.240935      11.31936 
1 1 1 33 22 0  o 24.80260 12.15059 11.10852       7.084518      11.10852       7.084518      11.10852       7.084518      24.80260 12.15059 24.80260 12.15059 0.000000       0.000000 
1 1 1 33 22 1  o 16.83841 5.620159 -4.154361      4.941452      -5.403362      7.183701      -2.905361      6.782717      16.49987 7.873722 17.17694 8.021800 -0.6770744     11.24032 
1 1 1 33 22 2  o 18.26710 5.928411 -1.805843      5.016547      -4.947119      7.105771      1.335432       7.084518      16.58694 7.885347 19.94726 8.854689 -3.360323      11.85682 
1 1 1 33 22 3  o 31.92153 7.272939 14.47367       5.275840      15.33090       7.573349      13.62353       7.353730      32.80692 10.34720 31.03614 10.22340 1.770781       14.54588 
1 1 1 33 22 4  o 22.39940 6.569561 4.172781       5.114314      9.202788       7.367898      -0.8543928     7.098687      26.25448 10.03789 18.54432 8.478041 7.710163       13.13912 
1 1 1 33 22 5  o 49.51641 5.989005 31.20022       5.720748      23.30098       7.672533      39.09945       8.487252      41.76732 9.410531 57.26551 7.410440 -15.49819      11.97801 
1 1 1 33 22 6  o 18.18511 5.954233 -1.404151      5.136983      -2.512170      6.847895      -0.2962037     7.658363      17.19028 8.040522 19.17994 8.784166 -1.989664      11.90847 
1 1 1 33 22 7  o 28.13881 6.829783 11.14395       4.991043      5.260962       6.730292      17.03118       7.374983      22.09421 9.198640 34.18341 10.09796 -12.08919      13.65957 
1 1 1 33 22 8  o 30.76146 7.395338 14.45950       5.638568      12.63878       8.643111      16.28022       7.240376      28.29128 10.85585 33.23164 10.04563 -4.940363      14.79068 
1 1 1 33 22 9  o 29.21301 7.078205 12.84423       5.079599      15.43716       7.155363      10.25130       7.212039      32.06833 10.04639 26.35770 9.973662 5.710636       14.15641 
1 1 1 33 22 10 o 16.60960 5.557086 -3.022964      4.883358      -1.805135      6.864190      -4.240792      6.947078      17.12274 8.018607 16.09646 7.695891 1.026278       11.11417 
1 1 1 33 22 11 o 15.28368 5.353097 -10.48509      6.192576      -7.707955      6.596395      -13.26930      10.48509      14.16668 6.933749 16.40067 8.157556 -2.233989      10.70619 
1 1 1 33 23 0  f 9.979293 7.225416 -9.018591      6.869856      -9.018591      6.869856      -9.018591      6.869856      9.979293 7.225416 9.979293 7.225416 0.000000       0.000000 
1 1 1 33 23 1  o 23.09088 6.660984 6.241460       4.954203      3.771798       7.037760      8.713958       6.975416      21.02637 9.099860 25.15538 9.729716 -4.129005      13.32197 
1 1 1 33 23 2  o 30.80003 7.163598 14.16195       5.236876      10.81097       7.353730      17.51293       7.459997      27.12560 10.11455 34.47445 10.14714 -7.348848      14.32720 
1 1 1 33 23 3  o 38.87233 7.056952 21.78489       5.534425      23.91025       8.133026      19.65245       7.502505      40.84586 10.01836 36.89880 9.941572 3.947063       14.11390 
1 1 1 33 23 4  o 32.21969 7.232285 15.68512       5.236876      16.06060       7.311223      15.30256       7.495420      32.75987 10.13370 31.67951 10.32143 1.080362       14.46457 
1 1 1 33 23 5  o 21.41238 6.403737 3.221330       5.161071      9.528677       7.240376      -3.086016      7.360813      25.63169 9.913026 17.19308 8.109458 8.438610       12.80747 
1 1 1 33 23 6  o 15.88540 5.385415 -5.599603      4.964830      -9.727042      7.056888      -1.473580      6.985334      14.27569 7.031611 17.49510 8.158875 -3.219406      10.77083 
1 1 1 33 23 7  o 18.05325 5.847543 -0.6813180     4.900361      -5.622273      6.745878      4.259212       7.112856      15.23785 7.356778 20.86865 9.091360 -5.630800      11.69509 
1 1 1 33 23 8  o 20.45076 6.143713 2.004919       5.000961      -6.536176      7.056180      10.54885       7.084518      15.11208 7.348388 25.78944 9.847945 -10.67736      12.28743 
1 1 1 33 24 0  o 11.25240 8.002127 -5.166739      7.084518      -5.166739      7.084518      -5.166739      7.084518      11.25240 8.002127 11.25240 8.002127 0.000000       0.000000 
1 1 1 33 24 1  o 23.18315 6.631756 6.745878       5.127066      1.434615       7.289969      12.05785       7.212039      19.00592 8.657293 27.36038 10.04848 -8.354460      13.26351 
1 1 1 33 24 2  o 20.81930 6.390634 4.308095       5.038509      1.669821       7.219123      6.946370       7.026425      19.03675 8.656275 22.60186 9.403707 -3.565109      12.78127 
1 1 1 33 24 3  o 14.15596 4.937407 -10.40716      5.105103      -14.79956      7.311223      -6.015463      7.127024      12.98664 6.503228 15.32529 7.431017 -2.338651      9.874815 
1 1 1 33 24 4  o 24.61099 6.721298 8.607689       5.247502      1.186657       7.233293      16.02518       7.608772      18.57000 8.518231 30.65199 10.39919 -12.08199      13.44260 
1 1 1 34 0  0  o 47.25097 11.30341 26.19146       9.259464      26.19146       9.259464      26.19146       9.259464      47.25097 11.30341 47.25097 11.30341 0.000000       0.000000 
1 1 1 34 0  1  o 11.19578 7.936023 -6.947787      6.811056      -6.947787      6.811056      -6.947787      6.811056      11.19578 7.936023 11.19578 7.936023 0.000000       0.000000 
1 1 1 34 0  2  o 25.65413 12.15877 10.13795       7.030676      10.13795       7.030676      10.13795       7.030676      25.65413 12.15877 25.65413 12.15877 0.000000       0.000000 
1 1 1 34 0  3  o 60.44025 6.503297 38.33433       7.700871      38.33433       7.700871      38.33433       7.700871      60.44025 6.503297 60.44025 6.503297 0.000000       0.000000 
1 1 1 34 0  4  o 36.97264 11.68539 17.73963       7.573349      17.73963       7.573349      17.73963       7.573349      36.97264 11.68539 36.97264 11.68539 0.000000       0.000000 
1 1 1 34 0  5  o 76.03703 5.633297 59.46036       8.473083      59.46036       8.473083      59.46036       8.473083      76.03703 5.633297 76.03703 5.633297 0.000000       0.000000 
1 1 1 34 0  6  o 16.25352 10.18895 2.126772       6.687077      2.126772       6.687077      2.126772       6.687077      16.25352 10.18895 16.25352 10.18895 0.000000       0.000000 
1 1 1 34 0  7  o 39.04768 10.95411 19.02901       7.396237      19.02901       7.396237      19.02901       7.396237      39.04768 10.95411 39.04768 10.95411 0.000000       0.000000 
1 1 1 34 0  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 0  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 0  10 o 20.50229 11.58294 6.286093       7.183701      6.286093       7.183701      6.286093       7.183701      20.50229 11.58294 20.50229 11.58294 0.000000       0.000000 
1 1 1 34 0  11 o 26.44768 12.15110 10.79680       6.989584      10.79680       6.989584      10.79680       6.989584      26.44768 12.15110 26.44768 12.15110 0.000000       0.000000 
1 1 1 34 0  12 o 72.18358 5.754197 53.99111       8.203872      53.99111       8.203872      53.99111       8.203872      72.18358 5.754197 72.18358 5.754197 0.000000       0.000000 
1 1 1 34 0  13 o 45.78917 10.18718 24.78164       8.140111      24.78164       8.140111      24.78164       8.140111      45.78917 10.18718 45.78917 10.18718 0.000000       0.000000 
1 1 1 34 0  14 o 56.10572 7.232165 33.95610       7.899237      33.95610       7.899237      33.95610       7.899237      56.10572 7.232165 56.10572 7.232165 0.000000       0.000000 
1 1 1 34 0  15 o 43.98490 9.610052 22.87591       7.396237      22.87591       7.396237      22.87591       7.396237      43.98490 9.610052 43.98490 9.610052 0.000000       0.000000 
1 1 1 34 0  16 o 14.66695 9.416551 1.281589       6.062222      1.281589       6.062222      1.281589       6.062222      14.66695 9.416551 14.66695 9.416551 0.000000       0.000000 
1 1 1 34 0  17 o 15.13603 9.853933 0.6920157      6.976125      0.6920157      6.976125      0.6920157      6.976125      15.13603 9.853933 15.13603 9.853933 0.000000       0.000000 
1 1 1 34 0  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 0  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 0  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 0  21 o 16.10063 10.12730 2.933699       6.675741      2.933699       6.675741      2.933699       6.675741      16.10063 10.12730 16.10063 10.12730 0.000000       0.000000 
1 1 1 34 0  22 o 30.94961 12.42687 15.32381       7.445828      15.32381       7.445828      15.32381       7.445828      30.94961 12.42687 30.94961 12.42687 0.000000       0.000000 
1 1 1 34 0  23 f 9.941529 7.196376 -8.813140      6.690619      -8.813140      6.690619      -8.813140      6.690619      9.941529 7.196376 9.941529 7.196376 0.000000       0.000000 
1 1 1 34 0  24 o 10.36547 7.463466 -7.212039      6.719665      -7.212039      6.719665      -7.212039      6.719665      10.36547 7.463466 10.36547 7.463466 0.000000       0.000000 
1 1 1 34 0  25 o 14.31601 9.497593 1.441699       6.874108      1.441699       6.874108      1.441699       6.874108      14.31601 9.497593 14.31601 9.497593 0.000000       0.000000 
1 1 1 34 1  0  o 57.73594 6.953679 35.32341       7.835476      35.32341       7.835476      35.32341       7.835476      57.73594 6.953679 57.73594 6.953679 0.000000       0.000000 
1 1 1 34 1  1  o 126.7269 3.138624 162.9439       7.955913      160.8186       11.08727      164.9984       11.41316      125.9286 4.402204 127.5251 4.474867 -1.596481      6.277248 
1 1 1 34 1  2  o 47.40781 5.647509 23.87483       5.230500      25.87266       7.474166      21.86991       7.318307      49.84786 7.496978 44.96777 8.448239 4.880096       11.29502 
1 1 1 34 1  3  o 87.19911 3.649490 77.78800       6.349853      86.36028       9.188620      69.18740       8.770633      92.08260 4.989336 82.31562 5.327441 9.766975       7.298980 
1 1 1 34 1  4  o 96.84848 3.484372 96.13691       6.736668      111.5812       9.982086      80.69266       9.046929      104.7349 4.765406 88.96207 5.084712 15.77281       6.968743 
1 1 1 34 1  5  o 44.57969 5.995725 21.63612       5.170990      16.02518       7.353730      27.24706       7.275800      37.95934 9.659714 51.20004 7.105268 -13.24070      11.99145 
1 1 1 34 1  6  o 84.00708 3.680425 72.19124       6.182659      75.45012       8.848563      68.88985       8.636027      85.93679 5.148297 82.07737 5.260907 3.859421       7.360849 
1 1 1 34 1  7  o 56.70352 4.926574 33.53811       5.583308      32.15663       7.899237      34.91959       7.892153      55.48428 7.118447 57.92277 6.812652 -2.438492      9.853148 
1 1 1 34 1  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 1  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 1  10 o 24.22201 6.777485 3.564221       5.076057      -0.4650986     7.036344      7.594603       7.318307      20.58011 9.003243 27.86391 10.13306 -7.283796      13.55497 
1 1 1 34 1  11 o 22.30801 6.468057 1.795217       4.807554      -2.080723      6.677158      5.671157       6.918032      18.98596 8.504419 25.63006 9.747711 -6.644102      12.93611 
1 1 1 34 1  12 o 26.77197 6.808203 3.397027       5.738459      12.39082       6.935743      -5.593935      9.146112      33.10272 9.797001 20.44121 9.456494 12.66150       13.61641 
1 1 1 34 1  13 o 46.62053 8.262153 25.31298       8.373900      26.86449       7.991336      23.76147       14.72163      50.01800 7.988460 43.22306 14.46503 6.794933       16.52431 
1 1 1 34 1  14 o 50.63841 6.191409 28.42308       6.180533      25.36966       7.417490      31.47651       9.882903      48.70031 7.615446 52.57652 9.764176 -3.876217      12.38282 
1 1 1 34 1  15 o 24.14053 6.541733 3.244001       5.015130      -3.972997      6.998086      10.46383       7.183701      18.01818 8.311190 30.26288 10.10452 -12.24471      13.08347 
1 1 1 34 1  16 o 21.43754 6.466328 1.614562       4.896110      1.210744       6.862772      2.017670       6.983918      21.05800 9.047549 21.81709 9.240966 -0.7590885     12.93266 
1 1 1 34 1  17 o 20.20399 6.232207 -0.6650237E-01 4.824557      1.403443       6.137318      -1.535923      7.445828      20.38743 8.650472 20.02055 8.973904 0.3668842      12.46441 
1 1 1 34 1  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 1  19 o 26.65705 8.038926 10.29380       7.913406      14.91999       10.49217      5.665489       11.84531      29.29244 11.75450 24.02166 10.96946 5.270777       16.07785 
1 1 1 34 1  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 1  21 o 47.40968 5.881391 27.02743       5.343143      20.15545       7.467082      33.89233       7.644195      39.91527 9.481658 54.90409 6.961407 -14.98882      11.76278 
1 1 1 34 1  22 o 33.75061 7.022580 15.32381       5.067555      14.61536       7.289969      16.02518       7.041303      32.78331 10.11452 34.71791 9.744898 -1.934601      14.04516 
1 1 1 34 1  23 o 28.50670 7.006183 11.17229       4.981124      13.79356       7.091603      8.558097       6.993836      31.34769 10.02570 25.66571 9.789367 5.681984       14.01237 
1 1 1 34 1  24 o 36.13212 6.926188 18.75272       5.192952      15.77722       7.297054      21.72822       7.396237      32.60570 10.13153 39.65854 9.446712 -7.052845      13.85238 
1 1 1 34 1  25 o 36.30314 6.833637 19.75872       5.254587      15.40883       7.722124      24.10153       7.127024      30.64983 10.47636 41.95646 8.777264 -11.30663      13.66727 
1 1 1 34 2  0  o 32.39352 14.06947 15.81973       9.358648      15.81973       9.358648      15.81973       9.358648      32.39352 14.06947 32.39352 14.06947 0.000000       0.000000 
1 1 1 34 2  1  o 67.08231 6.035573 46.20523       8.097604      46.20523       8.097604      ?              ?             67.08231 6.035573 ?        ?        ?              ?        
1 1 1 34 2  2  o 31.25624 7.543443 10.19462       5.702329      8.551013       7.105771      11.84531       8.919409      29.09703 10.04207 33.41546 11.25926 -4.318430      15.08689 
1 1 1 34 2  3  o 43.26075 7.101038 20.89224       6.091977      18.96525       7.367898      22.81923       9.705790      41.54239 9.116347 44.97912 10.88996 -3.436729      14.20208 
1 1 1 34 2  4  o 57.42913 5.729346 34.65746       6.599228      33.31849       8.253463      35.99643       10.30089      56.58024 7.293591 58.27803 8.837712 -1.697784      11.45869 
1 1 1 34 2  5  o 90.98393 4.153562 85.01421       7.566265      83.59731       9.323226      86.50197       11.92324      90.48615 5.151742 91.48171 6.516736 -0.9955673     8.307123 
1 1 1 34 2  6  o 67.71148 4.809863 47.85592       6.572307      41.23189       8.161365      54.47995       10.30089      63.12359 6.464591 72.29936 7.123776 -9.175770      9.619726 
1 1 1 34 2  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 2  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 2  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 2  10 o 57.70686 5.503520 35.35883       6.410071      32.07870       7.679617      38.63896       10.26547      55.35471 6.936734 60.05902 8.546149 -4.704315      11.00704 
1 1 1 34 2  11 o 53.53127 6.150957 31.19313       6.263422      34.55119       7.637110      27.83507       9.925409      57.56181 6.633834 49.50074 10.35999 8.061077       12.30191 
1 1 1 34 2  12 o 25.24884 7.237571 4.518506       5.756879      3.218496       6.601354      5.818514       9.436578      22.82768 9.255827 27.67001 11.12922 -4.842331      14.47514 
1 1 1 34 2  13 o 34.69001 7.026026 13.60936       5.355187      17.83173       7.212039      9.386987       7.920490      39.61335 9.259888 29.76668 10.56951 9.846670       14.05205 
1 1 1 34 2  14 o 24.12415 6.709377 2.808303       5.296385      10.74013       8.203872      -5.121398      6.706204      31.14731 10.78624 17.10099 7.982486 14.04633       13.41875 
1 1 1 34 2  15 f 34.98145 7.602939 14.82790       5.886526      16.93200       9.344479      12.73088       7.162447      37.09150 11.45300 32.87141 10.00237 4.220089       15.20588 
1 1 1 34 2  16 o 25.31111 6.804924 5.470665       5.012296      9.493254       6.980375      1.450201       7.190785      28.98709 9.957990 21.63513 9.277200 7.351963       13.60985 
1 1 1 34 2  17 o 34.37115 7.495347 14.29656       5.776716      12.16412       6.487293      16.43608       9.557014      32.27041 9.451070 36.47190 11.63607 -4.201485      14.99069 
1 1 1 34 2  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 2  19 o 19.20564 6.101341 0.4162154      4.903903      -2.337891      6.277591      3.170322       7.537927      16.85666 7.812065 21.55461 9.374277 -4.697945      12.20268 
1 1 1 34 2  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 2  21 o 23.69113 6.307741 3.774631       4.811096      10.85348       6.255630      -3.303510      7.311223      29.32834 9.419919 18.05392 8.391395 11.27443       12.61548 
1 1 1 34 2  22 o 30.32996 6.020378 10.62678       4.799760      20.63720       6.541135      0.6113939      7.025008      41.03037 8.261240 19.62954 8.759665 21.40084       12.04076 
1 1 1 34 2  23 o 47.91689 5.691767 28.17513       5.341726      29.98168       7.707955      26.36857       7.396237      49.94361 7.716658 45.89017 8.368874 4.053444       11.38353 
1 1 1 34 2  24 o 25.28689 6.617671 8.210957       4.869897      14.57285       7.183701      1.841266       6.579392      31.27499 10.09947 19.29879 8.554239 11.97620       13.23534 
1 1 1 34 2  25 o 13.77494 4.800207 -9.245295      4.694910      -9.741212      6.740210      -8.749379      6.536885      13.74594 6.777317 13.80393 6.799699 -0.5799007E-01 9.600413 
1 1 1 34 3  0  o 77.64852 6.777059 62.66256       10.37173      62.66256       10.37173      62.66256       10.37173      77.64852 6.777059 77.64852 6.777059 0.000000       0.000000 
1 1 1 34 3  1  o 47.73602 7.198956 25.18546       6.802555      31.07978       9.394071      19.28406       9.840395      54.25103 8.657965 41.22100 11.50389 13.03003       14.39791 
1 1 1 34 3  2  o 22.94425 6.888487 0.7651279      5.612355      2.752335       7.071057      -1.222788      8.713958      23.32965 9.537883 22.55886 9.941520 0.7707977      13.77697 
1 1 1 34 3  3  o 24.15048 6.881845 1.078264       5.738459      -7.948828      7.076725      10.10252       9.032760      16.59911 7.880738 31.70185 11.28420 -15.10274      13.76369 
1 1 1 34 3  4  o 41.76681 6.809513 19.08569       5.833392      25.29881       7.573349      12.86548       8.876901      49.16886 7.701368 34.36476 11.23240 14.80410       13.61903 
1 1 1 34 3  5  o 37.78506 7.343813 16.25188       5.837643      11.45567       7.374983      21.05519       9.054014      32.40063 10.20916 43.16951 10.55933 -10.76888      14.68763 
1 1 1 34 3  6  o 37.15611 7.300998 15.59302       5.639985      14.47367       7.318307      16.71946       8.579351      35.94065 9.879680 38.37157 10.75222 -2.430920      14.60200 
1 1 1 34 3  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 3  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 3  9  o 34.60326 13.37237 11.97283       13.17012      11.97283       13.17012      ?              ?             34.60326 13.37237 ?        ?        ?              ?        
1 1 1 34 3  10 o 83.47639 4.365119 72.33293       7.176617      79.77167       9.131943      64.97920       11.07310      88.18825 5.177529 78.76455 7.029242 9.423698       8.730238 
1 1 1 34 3  11 o 42.98438 6.829992 20.58052       5.916989      25.38383       7.424574      15.77014       9.216957      48.99640 7.576654 36.97236 11.36616 12.02404       13.65998 
1 1 1 34 3  12 o 21.83393 6.523557 1.526714       4.913821      0.2371188      6.875525      2.816804       7.020757      20.73160 8.983623 22.93626 9.461593 -2.204659      13.04711 
1 1 1 34 3  13 f 30.76953 6.981964 10.41424       4.989626      13.17720       6.922283      7.644195       7.183701      33.94083 9.706025 27.59823 10.03914 6.342598       13.96393 
1 1 1 34 3  14 o 27.32499 6.662809 6.117482       5.243960      15.61428       7.970083      -3.378607      6.816723      36.44702 10.41220 18.20297 8.316144 18.24405       13.32562 
1 1 1 34 3  15 o 23.15599 6.575861 2.632607       5.029299      8.097604       7.119940      -2.830265      7.105771      27.55345 9.997273 18.75854 8.545309 8.794912       13.15172 
1 1 1 34 3  16 o 44.71408 6.358505 23.03177       5.489084      25.02252       7.828392      21.04102       7.693786      46.90064 8.672094 42.52752 9.301458 4.373127       12.71701 
1 1 1 34 3  17 o 17.73559 5.811754 -4.086349      4.923739      -5.058346      6.478083      -3.115062      7.417490      16.53846 7.753005 18.93272 8.660073 -2.394258      11.62351 
1 1 1 34 3  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 3  19 o 23.30885 6.624534 4.866355       4.857854      6.905988       6.342061      2.827431       7.360813      24.76529 9.358160 21.85241 9.378839 2.912876       13.24907 
1 1 1 34 3  20 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 3  21 o 50.68187 5.063721 29.70539       4.986792      21.73530       6.412197      37.67547       7.637110      43.07261 7.723448 58.29113 6.550834 -15.21852      10.12744 
1 1 1 34 3  22 o 24.49257 6.441573 6.935034       4.467497      2.118979       5.814264      11.75322       6.785551      19.43711 8.338648 29.54803 9.820508 -10.11093      12.88315 
1 1 1 34 3  23 o 19.81330 5.736750 1.322680       4.175615      -6.872690      5.249628      9.521592       6.495794      13.06206 6.347373 26.56454 9.557827 -13.50248      11.47350 
1 1 1 34 3  24 o 31.89659 6.641359 14.57994       4.566680      11.40607       5.776716      17.75380       7.074599      28.62032 9.038032 35.17286 9.733684 -6.552536      13.28272 
1 1 1 34 3  25 o 20.30547 6.192726 3.984333       4.655945      6.083476       6.423533      1.885190       6.741627      21.78398 9.022775 18.82697 8.484630 2.957018       12.38545 
1 1 1 34 4  0  o 65.23415 8.151968 45.54636       10.36465      45.54636       10.36465      45.54636       10.36465      65.23415 8.151968 65.23415 8.151968 0.000000       0.000000 
1 1 1 34 4  1  o 28.87471 7.893350 6.803263       6.534050      4.214580       8.692703      9.394071       9.755382      26.28088 10.63553 31.46854 11.66642 -5.187654      15.78670 
1 1 1 34 4  2  o 55.56088 6.241740 32.73756       6.935743      32.26998       9.776634      33.19805       9.840395      55.15419 8.863004 55.96758 8.791157 -0.8133965     12.48348 
1 1 1 34 4  3  o 40.13017 8.100527 18.29931       6.854979      20.12712       9.564099      16.47150       9.819141      42.06691 11.17549 38.19344 11.72956 3.873470       16.20105 
1 1 1 34 4  4  o 25.85118 6.995122 3.379315       5.638568      9.578268       7.197870      -2.818221      8.685618      30.19222 10.11448 21.51014 9.665622 8.682083       13.99024 
1 1 1 34 4  5  o 50.91625 6.428137 28.48685       6.157863      35.57136       7.757547      21.40233       9.564099      58.55812 6.623801 43.27437 11.01858 15.28375       12.85627 
1 1 1 34 4  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 4  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 4  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 4  9  o 68.13962 5.105647 48.84066       6.863481      52.18456       8.338477      45.49677       10.90307      71.04044 5.868824 65.23879 8.356280 5.801651       10.21129 
1 1 1 34 4  10 o 31.66835 7.609854 10.59135       5.902112      11.44150       7.057597      9.748297       9.464915      32.11118 9.961102 31.22552 11.50721 0.8856640      15.21971 
1 1 1 34 4  11 o 24.30865 6.701910 3.954578       4.927990      7.955913       7.029967      -0.4534092E-01 6.908113      27.97740 9.955264 20.63989 8.975248 7.337505       13.40382 
1 1 1 34 4  12 o 21.88409 6.558175 1.042841       5.094476      -2.811845      6.673616      4.898236       7.700871      18.39250 8.352511 25.37568 10.11307 -6.983175      13.11635 
1 1 1 34 4  13 o 48.28880 5.567702 25.32006       5.231208      27.26122       7.261631      23.37891       7.530843      50.71418 7.159369 45.86343 8.528813 4.850758       11.13540 
1 1 1 34 4  14 o 32.41351 6.563987 11.46275       5.288592      1.218537       6.998795      21.70696       7.927575      21.41910 9.167466 43.40793 9.396876 -21.98883      13.12797 
1 1 1 34 4  15 o 21.66496 6.513552 1.730039       4.955620      2.849393       6.856396      0.6109688      7.155363      22.35212 9.293852 20.97779 9.128514 1.374329       13.02710 
1 1 1 34 4  16 o 52.28462 5.942433 32.30540       5.734209      48.38017       8.565183      16.22355       7.630026      67.60935 6.334318 36.95988 10.05616 30.64947       11.88487 
1 1 1 34 4  17 o 63.55595 5.069776 45.41885       6.117482      57.68214       8.218040      33.14846       9.068183      73.51743 5.589179 53.59447 8.459999 19.92295       10.13955 
1 1 1 34 4  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 4  19 o 22.73591 6.609406 4.106895       4.851478      2.186991       6.260589      6.026799       7.410406      20.61044 8.740586 24.86138 9.916609 -4.250944      13.21881 
1 1 1 34 4  20 o 29.05044 8.662023 10.27255       8.784801      16.10311       12.78755      4.444827       12.04368      32.47833 13.00007 25.62254 11.45079 6.855785       17.32405 
1 1 1 34 4  21 o 39.41506 6.202907 19.08569       4.806137      19.00776       5.834100      19.16362       7.637110      40.33850 7.511614 38.49162 9.873190 1.846878       12.40581 
1 1 1 34 4  22 o 16.45868 5.368133 -2.760837      4.262754      -0.1674072     5.202870      -5.354478      6.754380      16.88873 7.537492 16.02862 7.645497 0.8601151      10.73627 
1 1 1 34 4  23 o 43.50459 5.595211 23.32932       4.653111      25.79473       5.722165      20.85682       7.339560      47.79502 5.986152 39.21417 9.454709 8.580853       11.19042 
1 1 1 34 4  24 o 49.25565 5.289003 29.86833       4.978291      33.38225       6.650237      26.35441       7.410406      53.71895 6.189843 44.79234 8.577882 8.926609       10.57801 
1 1 1 34 4  25 o 22.85666 6.493256 7.304138       4.648860      8.806056       6.130942      5.803638       6.990294      24.22360 9.187079 21.48971 9.178621 2.733896       12.98651 
1 1 1 34 5  0  o 23.55975 13.01943 8.522675       8.813140      8.522675       8.813140      8.522675       8.813140      23.55975 13.01943 23.55975 13.01943 0.000000       0.000000 
1 1 1 34 5  1  o 69.67528 5.250942 50.87392       7.297054      44.46952       10.03876      57.28542       10.59135      65.15855 7.703333 74.19200 7.137801 -9.033447      10.50188 
1 1 1 34 5  2  o 76.95061 5.004857 61.61406       7.707955      60.97644       10.66928      62.25874       11.11561      76.59795 6.964470 77.30328 7.189610 -0.7053223     10.00971 
1 1 1 34 5  3  o 32.92622 8.073404 11.24313       6.578683      13.85023       9.103605      8.636027       9.493254      35.33502 11.36512 30.51742 11.46968 4.817606       16.14681 
1 1 1 34 5  4  o 50.90449 10.12942 28.96151       9.946663      28.96151       9.946663      ?              ?             50.90449 10.12942 ?        ?        ?              ?        
1 1 1 34 5  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 5  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 5  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 5  8  o 24.39547 7.268118 2.197617       6.114647      3.241875       7.743378      1.153360       9.464915      24.21451 9.953890 24.57642 10.59350 -0.3619118     14.53624 
1 1 1 34 5  9  o 24.10550 6.497138 2.031840       5.071806      10.19462       7.127024      -6.129525      7.219123      30.66183 10.06459 17.54916 8.219200 13.11267       12.99428 
1 1 1 34 5  10 o 45.70663 5.904241 22.73422       5.277257      19.90749       7.268716      25.56094       7.651280      42.31639 8.872687 49.09686 7.792025 -6.780476      11.80848 
1 1 1 34 5  11 o 57.21201 6.253057 36.52777       6.528384      26.23397       10.10252      46.81450       8.267632      47.41240 10.87882 67.01161 6.168806 -19.59921      12.50611 
1 1 1 34 5  12 o 35.12795 7.230129 14.38866       5.463580      10.70471       6.942119      18.06552       8.437660      30.92585 9.922365 39.33005 10.51883 -8.404203      14.46026 
1 1 1 34 5  13 o 20.06977 6.250162 -0.9188619     4.928699      1.032923       6.825933      -2.871355      7.112856      21.17931 9.058823 18.96022 8.613699 2.219097       12.50032 
1 1 1 34 5  14 o 69.03529 4.971725 51.25649       6.920866      56.72574       10.89599      45.78724       8.536844      72.39254 7.525630 65.67805 6.499008 6.714485       9.943451 
1 1 1 34 5  15 o 37.20516 7.660343 16.95325       6.071432      17.54127       9.259464      16.35815       7.856731      37.58004 11.36032 36.83028 10.27942 0.7497635      15.32069 
1 1 1 34 5  16 o 44.22295 6.167170 22.34457       5.275840      19.40449       7.038468      25.29173       7.863815      41.17340 8.804055 47.27251 8.638549 -6.099106      12.33434 
1 1 1 34 5  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 5  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 5  19 o 18.81243 6.026700 -1.322680      4.885483      -1.761211      6.206038      -0.8834394     7.545012      17.70179 8.043031 19.92307 8.977420 -2.221279      12.05340 
1 1 1 34 5  20 o 23.26257 6.474403 5.593935       4.457579      3.479207       5.856062      7.707955       6.722499      20.94950 8.641485 25.57564 9.643460 -4.626143      12.94881 
1 1 1 34 5  21 o 22.25120 6.263062 4.508587       4.314471      6.187618       5.489084      2.829556       6.657322      23.45089 8.739753 21.05151 8.973321 2.399384       12.52612 
1 1 1 34 5  22 o 17.56136 5.600233 -0.3471414     4.181991      -0.1727205     5.253170      -0.5215622     6.507838      16.91275 7.560329 18.20996 8.263888 -1.297211      11.20047 
1 1 1 34 5  23 o 22.35958 6.150164 4.959163       4.384608      -1.399901      5.776008      11.32106       6.598520      16.49356 7.585098 28.22560 9.683200 -11.73204      12.30033 
1 1 1 34 5  24 o 26.04326 6.450572 9.372816       4.607062      2.395276       5.929033      16.35815       7.052638      18.95628 8.278907 33.13024 9.894403 -14.17396      12.90114 
1 1 1 34 6  0  o 57.14039 9.761752 36.15229       10.27255      36.15229       10.27255      36.15229       10.27255      57.14039 9.761752 57.14039 9.761752 0.000000       0.000000 
1 1 1 34 6  1  o 41.99218 7.850787 20.16254       6.728167      21.77781       9.181536      18.54727       9.840395      43.81006 10.58229 40.17431 11.59977 3.635750       15.70157 
1 1 1 34 6  2  o 38.35272 8.183764 16.80448       6.833726      14.53035       9.564099      19.07861       9.762465      36.00580 11.65582 40.69964 11.49077 -4.693840      16.36753 
1 1 1 34 6  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 6  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 6  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 6  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 6  7  o 32.61642 8.550714 11.51234       7.637110      15.67095       13.17012      7.346645       7.736294      37.37520 13.59331 27.85763 10.37693 9.517570       17.10143 
1 1 1 34 6  8  o 77.57825 4.749070 63.16556       7.148279      52.31916       11.03059      74.03321       9.082352      70.27657 7.847988 84.87992 5.350118 -14.60335      9.498140 
1 1 1 34 6  9  o 31.29641 7.192703 10.67637       5.205703      8.834394       7.353730      12.51126       7.367898      29.19928 10.20240 33.39354 10.14155 -4.194263      14.38541 
1 1 1 34 6  10 o 18.48564 5.898277 -3.477082      4.783466      0.3819264      6.606313      -7.332476      6.920157      20.51644 8.846995 16.45484 7.803163 4.061604       11.79655 
1 1 1 34 6  11 f 33.16208 6.845687 12.32706       5.144068      6.467456       7.148279      18.18596       7.403321      26.37771 9.944672 39.94645 9.410486 -13.56874      13.69137 
1 1 1 34 6  12 o 23.93650 6.479941 3.294301       4.801178      8.728126       6.434159      -2.140941      7.127024      28.42234 9.562858 19.45067 8.747018 8.971663       12.95988 
1 1 1 34 6  13 o 26.64529 6.588953 6.355521       4.787717      11.69654       6.450453      1.012378       7.076725      31.91466 9.448586 21.37591 9.185935 10.53875       13.17791 
1 1 1 34 6  14 o 79.26009 3.875358 65.77975       6.114647      69.78250       8.232210      61.78408       9.039845      81.95300 5.022519 76.56718 5.903211 5.385818       7.750716 
1 1 1 34 6  15 o 31.53016 7.403141 11.46275       5.537968      9.712874       8.218040      13.21971       7.424574      29.67485 10.74317 33.38546 10.18873 -3.710609      14.80628 
1 1 1 34 6  16 o 36.70961 6.513896 16.39357       5.013005      9.160281       6.303804      23.63395       7.792970      28.28556 9.465484 45.13365 8.951421 -16.84809      13.02779 
1 1 1 34 6  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 6  18 o 34.79661 7.200418 15.81264       6.121023      19.09278       6.268381      12.52543       10.51342      39.66461 8.181122 29.92861 11.85130 9.735994       14.40084 
1 1 1 34 6  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 6  20 f 22.98878 6.361629 5.085975       4.359813      6.551054       5.579058      3.620897       6.701245      24.07679 8.838407 21.90077 9.152260 2.176018       12.72326 
1 1 1 34 6  21 o 17.53310 5.633282 -1.295758      4.378232      -0.4448369E-01 5.593935      -2.547593      6.737377      17.58490 7.832806 17.48131 8.098309 0.1035976      11.26656 
1 1 1 34 6  22 o 46.82550 5.722096 27.40292       4.948535      37.08745       6.672198      17.71838       7.311223      57.77528 5.774269 35.87572 9.880656 21.89956       11.44419 
1 1 1 34 6  23 o 20.20057 6.140848 3.154736       4.522757      4.111854       5.975791      2.196909       6.791219      20.64170 8.635459 19.75944 8.733208 0.8822632      12.28170 
1 1 1 34 6  24 o 21.94646 6.366428 5.800803       4.546844      7.083809       5.999169      4.517797       6.834435      22.95185 8.993066 20.94107 9.013901 2.010777       12.73286 
1 1 1 34 7  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 7  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 7  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 7  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 7  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 7  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 7  6  o 36.36744 7.562141 14.77122       6.143694      11.85240       9.755382      17.69004       7.474166      33.16575 11.73475 39.56913 9.541468 -6.403378      15.12428 
1 1 1 34 7  7  o 36.78853 7.648458 15.33798       6.103312      13.93525       9.422408      16.73363       7.757547      35.18699 11.57238 38.39007 10.00378 -3.203075      15.29692 
1 1 1 34 7  8  o 67.27216 4.862788 47.84883       6.364731      37.29290       9.266549      58.40476       8.721042      59.33802 7.808272 75.20631 5.798079 -15.86828      9.725576 
1 1 1 34 7  9  f 31.61937 6.930772 10.59135       5.225540      5.077474       7.615856      16.10311       7.155363      25.57158 10.09916 37.66716 9.494700 -12.09558      13.86154 
1 1 1 34 7  10 o 75.48778 4.117464 59.38951       6.176991      52.46085       8.791886      66.31109       8.678535      70.88204 6.201773 80.09351 5.417752 -9.211464      8.234927 
1 1 1 34 7  11 o 66.58880 4.985591 47.38834       6.654488      37.67547       8.543928      57.10830       10.20170      59.63126 7.163969 73.54634 6.935564 -13.91508      9.971183 
1 1 1 34 7  12 o 55.14099 5.181499 33.63729       5.478457      22.45792       7.051221      44.80958       8.388069      45.01210 8.130335 65.26988 6.425681 -20.25778      10.36300 
1 1 1 34 7  13 o 28.11387 6.660698 8.862731       4.611313      4.201119       5.642818      13.52434       7.297054      22.42183 8.734846 33.80591 10.05794 -11.38408      13.32140 
1 1 1 34 7  14 o 39.41591 6.603567 18.28514       5.146194      15.91183       6.880484      20.65845       7.651280      36.79570 9.331889 42.03611 9.345815 -5.240406      13.20713 
1 1 1 34 7  15 o 54.17427 5.284620 32.26998       5.302762      39.42534       6.777758      25.12170       8.154280      61.45864 5.514081 46.88991 9.016858 14.56873       10.56924 
1 1 1 34 7  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 7  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 7  18 o 21.17168 6.401911 2.227372       4.831641      0.9401155E-01  6.002004      4.360521       7.573349      18.71739 8.249403 23.62597 9.792099 -4.908583      12.80382 
1 1 1 34 7  19 o 29.57630 8.176335 12.80172       7.226208      6.986042       7.065390      18.61103       12.61044      24.90213 9.759084 34.25048 13.12136 -9.348347      16.35267 
1 1 1 34 7  20 o 23.84455 6.644190 5.985001       4.668697      5.411155       6.014756      6.559555       7.141194      22.98929 9.005352 24.69982 9.771627 -1.710527      13.28838 
1 1 1 34 7  21 o 29.86130 7.140694 12.66712       5.259546      6.884734       6.044511      18.45517       8.607689      24.05654 9.122568 35.66606 10.98803 -11.60952      14.28139 
1 1 1 34 7  22 o 23.30298 6.491286 6.468165       4.492292      4.157195       5.971540      8.777717       6.713998      20.95395 8.690519 25.65201 9.644794 -4.698055      12.98257 
1 1 1 34 7  23 o 24.72280 6.528671 7.927575       4.683574      2.093475       6.182659      13.76522       7.037760      19.08899 8.394463 30.35661 10.00136 -11.26762      13.05734 
1 1 1 34 7  24 o 14.99722 5.155407 -6.724624      4.899652      -9.861650      6.835143      -3.588309      7.022882      13.76462 6.795718 16.22982 7.754424 -2.465204      10.31081 
1 1 1 34 8  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 8  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 8  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 8  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 8  4  o 68.12071 4.678343 48.50770       6.335684      44.64663       9.280719      52.36876       8.628942      65.17912 7.119395 71.06231 6.071393 -5.883186      9.356687 
1 1 1 34 8  5  o 35.01241 7.186282 13.95650       5.369356      16.62736       8.147196      11.28564       6.995253      38.13437 10.39837 31.89044 9.921923 6.243921       14.37256 
1 1 1 34 8  6  o 73.97522 4.252170 56.61238       6.290343      56.82492       9.365732      56.39985       8.402238      73.98081 6.329839 73.96964 5.679518 0.1117706E-01  8.504339 
1 1 1 34 8  7  o 38.33982 6.851762 16.71946       5.509629      9.960832       7.750463      23.47809       7.835476      30.57621 10.49398 46.10344 8.812664 -15.52723      13.70352 
1 1 1 34 8  8  f 31.42824 6.957447 11.03059       4.861396      10.87473       6.595686      11.18645       7.141194      31.20679 9.619349 31.64969 10.05447 -0.4429054     13.91489 
1 1 1 34 8  9  o 53.39176 4.994509 30.38550       5.242543      36.27273       7.374983      24.50535       7.452912      58.91721 6.258768 47.86631 7.785134 11.05090       9.989018 
1 1 1 34 8  10 o 38.40570 6.064096 17.02410       4.966247      7.082392       6.407238      26.96367       7.587519      26.51600 9.497205 50.29541 7.542953 -23.77942      12.12819 
1 1 1 34 8  11 o 26.55356 6.842669 5.619440       5.477040      -4.296052      6.271924      15.53635       8.983169      16.85967 7.811572 36.24746 11.23690 -19.38779      13.68534 
1 1 1 34 8  12 o 47.48367 5.739420 25.25630       5.311263      19.58161       6.999504      30.93100       7.991336      41.43922 8.720280 53.52812 7.464615 -12.08890      11.47884 
1 1 1 34 8  13 o 36.44859 6.844540 15.79847       5.089518      14.65787       6.656613      16.93908       7.700871      35.31215 9.297023 37.58504 10.04770 -2.272888      13.68908 
1 1 1 34 8  14 o 46.34744 6.437291 24.41325       5.833392      22.64920       8.706873      26.17021       7.764632      43.72800 10.14369 48.96688 7.928452 -5.238873      12.87458 
1 1 1 34 8  15 o 28.15885 7.241267 8.976085       5.345977      6.410780       7.254546      11.54068       7.849646      25.47833 9.908455 30.83938 10.56250 -5.361050      14.48253 
1 1 1 34 8  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 8  17 o 64.64700 4.703482 46.99869       6.089143      45.44010       7.757547      48.55729       9.386987      64.19981 6.041721 65.09420 7.210310 -0.8943863     9.406963 
1 1 1 34 8  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 8  19 f 22.48454 6.694415 3.101602       5.457204      5.235459       6.011921      0.9677451      9.110690      22.83175 8.986868 22.13733 9.924564 0.6944180      13.38883 
1 1 1 34 8  20 o 50.47697 4.980796 29.09612       5.011588      30.35007       6.823808      27.84216       7.339560      51.97803 6.564127 48.97590 7.493033 3.002132       9.961592 
1 1 1 34 8  21 o 22.22825 6.384609 5.097310       4.442701      4.195451       5.962330      5.999169       6.587893      21.22515 8.731331 23.23135 9.317554 -2.006207      12.76922 
1 1 1 34 8  22 o 21.39886 6.140090 4.072181       4.388151      7.892153       5.868815      0.2541217      6.525549      24.48096 9.054198 18.31676 8.296041 6.164202       12.28018 
1 1 1 34 8  23 o 17.34744 5.271008 -4.165697      4.217413      6.609855       5.404070      -14.94125      6.476666      22.60436 8.609962 12.09051 6.082983 10.51385       10.54202 
1 1 1 34 9  0  o 13.22987 8.933348 -2.054510      6.642444      -2.054510      6.642444      -2.054510      6.642444      13.22987 8.933348 13.22987 8.933348 0.000000       0.000000 
1 1 1 34 9  1  o 27.38517 6.823110 6.176991       5.157529      0.6572307      7.828392      11.69654       6.718957      22.39494 9.643493 32.37540 9.655173 -9.980455      13.64622 
1 1 1 34 9  2  o 83.43892 3.775801 71.55363       6.316556      74.45828       9.663282      68.71274       8.140111      84.96275 5.686776 81.91509 4.968627 3.047653       7.551601 
1 1 1 34 9  3  o 41.12104 6.533031 18.94400       5.255295      20.53093       7.870899      17.35707       6.968331      42.79027 9.449911 39.45181 9.023365 3.338463       13.06606 
1 1 1 34 9  4  o 50.24048 5.660284 27.55169       5.586143      34.68580       8.728126      20.41758       6.973290      57.33006 7.612173 43.15089 8.379146 14.17916       11.32057 
1 1 1 34 9  5  o 63.32823 5.017150 42.47168       6.483750      50.34258       10.66928      34.60078       7.374983      68.97106 7.734609 57.68541 6.392417 11.28566       10.03430 
1 1 1 34 9  6  o 24.84012 6.867249 4.857854       5.037800      8.012589       7.948828      1.705243       6.191161      28.61623 10.54543 21.06400 8.799451 7.552233       13.73450 
1 1 1 34 9  7  o 25.09809 6.917891 5.185159       5.015839      5.693827       7.523758      4.675782       6.633943      25.97824 10.09314 24.21793 9.463471 1.760311       13.83578 
1 1 1 34 9  8  f 36.16264 6.414941 14.21863       5.283633      5.700912       7.835476      22.74130       7.091603      26.18342 10.27391 46.14185 7.684566 -19.95843      12.82988 
1 1 1 34 9  9  o 63.73565 4.627219 42.64171       5.895736      42.75507       9.054014      42.52128       7.552096      63.54367 7.124245 63.92764 5.906754 -0.3839645     9.254437 
1 1 1 34 9  10 o 37.00308 7.270652 16.06060       5.746252      21.13312       8.402238      10.98809       7.835476      42.69514 10.00422 31.31103 10.55297 11.38412       14.54130 
1 1 1 34 9  11 o 24.52486 6.734916 5.311971       4.748044      4.507879       6.176991      6.116064       7.212039      23.31173 9.127151 25.73798 9.906134 -2.426254      13.46983 
1 1 1 34 9  12 o 31.45092 6.959072 11.51943       4.938617      12.86548       6.503587      10.18045       7.431659      33.07849 9.391541 29.82334 10.27198 3.255148       13.91814 
1 1 1 34 9  13 o 36.38584 6.994034 15.66387       5.263797      16.74780       6.992419      14.57994       7.870899      37.88097 9.288194 34.89072 10.45923 2.990253       13.98807 
1 1 1 34 9  14 o 64.79742 4.681340 44.88750       6.071432      43.86025       7.998421      45.91476       9.139028      64.30110 6.219505 65.29373 6.998396 -0.9926300     9.362680 
1 1 1 34 9  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 9  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 9  17 o 36.25199 7.397482 16.87532       5.661238      16.90366       8.161365      16.85407       7.849646      36.18174 10.60189 36.32224 10.31944 -0.1404991     14.79496 
1 1 1 34 9  18 o 29.44602 7.285249 11.24313       5.478457      7.197870       7.665448      15.28839       7.828392      25.34708 10.09352 33.54496 10.50811 -8.197886      14.57050 
1 1 1 34 9  19 o 43.47861 6.956074 24.22197       6.154321      30.36424       7.906322      18.08677       9.436578      51.27511 7.709708 35.68211 11.58051 15.59300       13.91215 
1 1 1 34 9  20 o 44.52537 6.278304 25.30589       5.465705      32.30540       7.835476      18.29931       7.622942      52.47461 7.465970 36.57612 10.09592 15.89849       12.55661 
1 1 1 34 9  21 o 29.41940 6.982507 12.19245       4.867064      12.89382       6.724624      11.49817       7.037760      30.32526 9.769310 28.51354 9.979088 1.811718       13.96501 
1 1 1 34 9  22 o 19.68139 6.127656 2.109770       4.758671      4.283299       6.699120      -0.6358355E-01 6.759338      21.12602 9.003150 18.23676 8.314802 2.889252       12.25531 
1 1 1 34 9  23 o 20.96011 6.178351 4.022589       4.645319      9.167366       6.498628      -1.120062      6.640318      24.81941 9.445215 17.10081 7.967182 7.718599       12.35670 
1 1 1 34 10 0  o 27.37373 11.78503 11.21479       6.577975      11.21479       6.577975      11.21479       6.577975      27.37373 11.78503 27.37373 11.78503 0.000000       0.000000 
1 1 1 34 10 1  o 75.13184 3.704206 58.02929       5.552845      62.17373       7.821308      53.87776       7.885069      77.90042 5.020068 72.36326 5.448254 5.537163       7.408411 
1 1 1 34 10 2  o 49.84566 4.849852 26.04269       4.837308      23.87483       6.587184      28.21055       7.084518      47.75513 6.896834 51.93620 6.820405 -4.181068      9.699703 
1 1 1 34 10 3  o 21.58918 5.991721 0.3674031      4.444118      8.288886       6.444077      -7.552096      6.122441      28.10221 9.570231 15.07614 7.212041 13.02608       11.98344 
1 1 1 34 10 4  o 44.94389 6.160188 22.19580       5.378566      19.68079       8.317224      24.70371       6.820973      41.43222 10.11202 48.45556 7.038381 -7.023342      12.32038 
1 1 1 34 10 5  o 26.62108 7.020985 6.727458       5.032842      7.304138       7.757547      6.148653       6.412197      27.69226 10.37609 25.54990 9.461171 2.142357       14.04197 
1 1 1 34 10 6  o 29.96631 7.087672 9.897071       5.020089      11.17937       7.729208      8.614774       6.408655      31.62751 10.48115 28.30511 9.543889 3.322405       14.17534 
1 1 1 34 10 7  o 33.02451 6.951955 12.53960       5.130608      17.67587       7.899237      7.396237       6.552470      39.09522 10.04898 26.95381 9.609198 12.14142       13.90391 
1 1 1 34 10 8  o 26.32381 6.972607 6.299554       5.051261      4.759379       7.679617      7.842561       6.565223      25.21257 10.08169 27.43505 9.634757 -2.222481      13.94521 
1 1 1 34 10 9  o 27.46758 7.092280 7.679617       5.105103      8.111773       7.927575      7.240376       6.437701      28.34455 10.51514 26.59060 9.520169 1.753941       14.18456 
1 1 1 34 10 10 o 26.87493 6.765479 5.088809       5.453662      -3.943242      7.849646      14.11944       7.573349      19.22893 8.842793 34.52094 10.24167 -15.29201      13.53096 
1 1 1 34 10 11 o 65.18890 4.573279 45.55345       6.020423      52.44669       9.457831      38.66021       7.445828      69.96665 6.758814 60.41115 6.162628 9.555504       9.146559 
1 1 1 34 10 12 o 26.04631 7.251283 5.622273       5.748378      3.987875       9.259464      7.254546       6.813181      25.55219 10.72256 26.54042 9.764787 -0.9882317     14.50257 
1 1 1 34 10 13 o 27.07977 7.166626 4.778507       6.125274      -2.020504      10.02459      11.57610       7.042719      22.70810 10.28383 31.45144 9.984235 -8.743349      14.33325 
1 1 1 34 10 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 10 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 10 16 o 38.99146 6.120986 16.36524       6.342769      -1.603226      10.10252      34.33866       7.672533      22.18036 10.12937 55.80256 6.874714 -33.62220      12.24197 
1 1 1 34 10 17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 10 18 o 25.70227 7.405433 2.723289       7.743378      -4.126731      13.97067      9.571183       6.691327      23.67452 11.16821 27.73003 9.727943 -4.055508      14.81087 
1 1 1 34 10 19 o 23.15534 7.097441 4.150110       6.293886      4.294635       10.66928      4.005587       6.682117      24.48548 10.86817 21.82520 9.131130 2.660278       14.19488 
1 1 1 34 10 20 o 19.54937 6.216928 -4.386024      6.102604      -13.29764      10.30089      4.524173       6.546094      17.23341 8.488348 21.86534 9.085632 -4.631929      12.43386 
1 1 1 34 10 21 o 41.55532 6.641636 23.89608       6.450453      12.51834       10.78264      35.27382       7.083100      27.90239 11.63162 55.20824 6.414895 -27.30585      13.28327 
1 1 1 34 10 22 o 18.11421 6.077571 -1.999959      5.969415      -2.122522      10.20170      -1.877397      6.197536      19.77670 9.423779 16.45172 7.677230 3.324984       12.15514 
1 1 1 34 11 0  o 15.52316 9.815889 1.756961       6.363315      1.756961       6.363315      1.756961       6.363315      15.52316 9.815889 15.52316 9.815889 0.000000       0.000000 
1 1 1 34 11 1  o 32.13783 6.580406 11.67529       4.510713      13.92108       6.626149      9.436578       6.121023      35.01160 9.302341 29.26406 9.309857 5.747540       13.16081 
1 1 1 34 11 2  o 16.54168 5.419234 -5.039926      4.358396      -8.522675      6.095519      -1.555760      6.230834      14.54742 7.015977 18.53593 8.261262 -3.988508      10.83847 
1 1 1 34 11 3  o 62.69255 4.280149 41.34525       5.310555      49.61288       7.707955      33.07761       7.304138      69.21705 5.567960 56.16805 6.502040 13.04900       8.560298 
1 1 1 34 11 4  o 44.91914 5.808609 22.83340       5.000961      31.83074       7.311223      13.84315       6.826642      55.03331 6.642544 34.80499 9.530812 20.22832       11.61722 
1 1 1 34 11 5  o 22.60215 6.242225 1.801593       4.634692      -5.094476      6.424950      8.699788       6.682117      16.70300 7.803143 28.50131 9.745380 -11.79831      12.48445 
1 1 1 34 11 6  o 22.93147 6.442209 2.574514       4.748752      -2.381815      6.678575      7.530843       6.752962      18.65258 8.423334 27.21037 9.749650 -8.557791      12.88442 
1 1 1 34 11 7  o 40.07463 6.322810 18.20721       4.946410      19.22738       7.034926      17.18704       6.954163      41.29248 8.781605 38.85678 9.099181 2.435699       12.64562 
1 1 1 34 11 8  o 34.47234 6.892772 13.46767       5.346686      7.828392       8.026759      19.10695       7.068932      28.00379 10.54235 40.94090 8.882573 -12.93711      13.78554 
1 1 1 34 11 9  o 50.13461 5.858216 27.99801       5.671865      26.55277       8.756464      29.44325       7.204955      47.82998 9.491073 52.43924 6.869813 -4.609261      11.71643 
1 1 1 34 11 10 o 24.22094 7.167177 3.202202       5.928325      1.489874       9.153197      4.915238       7.537927      23.71412 10.32197 24.72776 9.946386 -1.013639      14.33435 
1 1 1 34 11 11 o 60.13270 6.116962 40.60137       6.759338      32.97843       10.83931      48.23140       8.076350      52.56970 10.68108 67.69570 5.965187 -15.12600      12.23392 
1 1 1 34 11 12 o 17.44843 5.906978 -10.13086      6.092685      -14.60828      9.918325      -5.652737      7.075308      17.68998 8.625484 17.20689 8.072831 0.4830894      11.81396 
1 1 1 34 11 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 11 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 11 15 o 29.24991 8.614079 8.168448       9.153197      25.52552       15.31673      -9.188620      10.03168      39.56039 14.62792 18.93943 9.101280 20.62096       17.22816 
1 1 1 34 11 16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 11 17 o 29.04300 8.060964 8.791886       8.600604      6.136609       15.84807      11.44858       6.704788      28.22059 12.83051 29.86540 9.761900 -1.644815      16.12193 
1 1 1 34 11 18 o 21.21531 6.445317 -2.318054      6.061513      -11.41316      10.18045      6.777758       6.580809      17.99106 8.766261 24.43956 9.450984 -6.448496      12.89063 
1 1 1 34 11 19 o 31.09004 7.780870 15.33090       6.430617      25.05794       11.17229      5.599603       6.364022      39.36024 12.58340 22.81984 9.155640 16.54040       15.56174 
1 1 1 34 11 20 o 22.46718 6.987877 4.742376       6.230834      14.14778       10.72596      -4.664447      6.344185      29.37959 11.84515 15.55476 7.417145 13.82483       13.97575 
1 1 1 34 11 21 o 20.80607 6.560253 0.5054803      6.400862      -4.304553      11.10144      5.315514       6.379609      19.84104 9.544219 21.77109 9.003086 -1.930048      13.12051 
1 1 1 34 11 22 o 23.91283 6.607881 3.251085       6.424241      -7.091603      10.99517      13.59519       6.644569      18.30213 8.956426 29.52353 9.717961 -11.22140      13.21576 
1 1 1 34 12 0  o 39.61274 9.597270 18.82356       6.584351      18.82356       6.584351      18.82356       6.584351      39.61274 9.597270 39.61274 9.597270 0.000000       0.000000 
1 1 1 34 12 1  o 38.36268 6.044920 16.57777       4.743084      23.46392       6.750837      9.698705       6.663697      47.05654 7.173112 29.66881 9.731942 17.38773       12.08984 
1 1 1 34 12 2  o 19.00288 5.892816 -1.632273      4.482375      -5.720748      6.285384      2.456911       6.391652      16.14410 7.580445 21.86166 9.024298 -5.717562      11.78563 
1 1 1 34 12 3  o 26.31466 6.670539 6.551054       4.662321      10.47092       6.767131      2.629065       6.414322      30.59879 9.794411 22.03054 9.058361 8.568251       13.34108 
1 1 1 34 12 4  o 29.13498 6.848069 9.301972       4.671531      10.18045       6.660863      8.423491       6.551054      30.19513 9.722436 28.07483 9.646680 2.120296       13.69614 
1 1 1 34 12 5  o 35.61372 6.586636 14.57994       4.818889      17.73963       6.757921      11.42024       6.871982      39.59394 8.766779 31.63350 9.832530 7.960436       13.17327 
1 1 1 34 12 6  o 66.29398 4.087214 45.94310       5.418948      47.11205       7.665448      44.77415       7.658363      67.17423 5.705647 65.41373 5.853789 1.760498       8.174427 
1 1 1 34 12 7  o 73.80118 4.035955 57.31376       5.966581      64.66039       8.947746      49.97419       7.899237      78.55558 5.695169 69.04678 5.720208 9.508804       8.071910 
1 1 1 34 12 8  f 18.86244 6.025487 -2.306719      4.902486      -4.091309      7.247461      -0.5229082     6.601354      18.23766 8.429761 19.48722 8.611917 -1.249561      12.05097 
1 1 1 34 12 9  o 29.86315 6.533566 8.359732       5.301345      -1.524588      7.693786      18.24972       7.297054      20.27349 9.103835 39.45280 9.373905 -19.17931      13.06713 
1 1 1 34 12 10 o 27.25797 7.323740 6.307346       5.965872      3.423947       9.939578      9.188620       6.602770      25.83312 10.98653 28.68282 9.687353 -2.849699      14.64748 
1 1 1 34 12 11 o 30.12334 7.842545 10.70471       6.628275      19.13528       11.15812      2.270588       7.155363      38.18003 12.59323 22.06666 9.350544 16.11338       15.68509 
1 1 1 34 12 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 12 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 12 14 o 32.54305 7.898105 14.86332       7.017214      28.13262       12.07202      1.599684       7.155363      44.07912 12.88714 21.00698 9.134659 23.07214       15.79621 
1 1 1 34 12 15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 12 16 o 30.61914 7.973183 13.41099       6.657322      18.11511       11.59027      8.706873       6.551054      34.56506 12.73421 26.67322 9.598249 7.891844       15.94637 
1 1 1 34 12 17 o 31.42310 7.489722 7.545012       8.834394      -2.697784      16.34398      17.78922       6.705496      25.18652 11.96664 37.65968 9.010180 -12.47316      14.97944 
1 1 1 34 12 18 o 28.76886 7.284702 9.748297       6.361189      4.874856       10.77555      14.62245       6.766423      24.57658 10.91368 32.96114 9.651899 -8.384554      14.56940 
1 1 1 34 12 19 o 35.54959 7.026742 17.71129       5.556387      13.77939       8.699788      21.64320       6.915907      30.10122 11.03819 40.99797 8.698209 -10.89675      14.05348 
1 1 1 34 12 20 o 19.42308 6.267095 0.5326141      5.446577      0.8961915      7.991336      0.1691783      7.403321      19.85917 9.050842 18.98701 8.671110 0.8721600      12.53419 
1 1 1 34 12 21 o 42.65029 6.354654 26.11353       5.609521      14.44533       8.303054      37.78173       7.545012      29.27602 10.77888 56.02456 6.733665 -26.74854      12.70931 
1 1 1 34 13 0  o 13.15617 8.828744 -1.375813      6.308763      -1.375813      6.308763      -1.375813      6.308763      13.15617 8.828744 13.15617 8.828744 0.000000       0.000000 
1 1 1 34 13 1  o 30.16788 6.877025 10.24421       4.756546      8.721042       6.755087      11.77447       6.698411      28.34202 9.790209 31.99374 9.660522 -3.651718      13.75405 
1 1 1 34 13 2  o 17.94090 5.699974 -4.529841      4.619813      -11.49109      6.450453      2.432823       6.614814      13.94598 6.832973 21.93582 9.125200 -7.989844      11.39995 
1 1 1 34 13 3  o 21.15940 6.299272 1.476413       4.623356      -0.5686742     6.819557      3.521005       6.245002      19.87723 8.772692 22.44157 9.042300 -2.564341      12.59854 
1 1 1 34 13 4  o 29.93069 7.121642 10.26547       5.402653      17.08786       8.770633      3.437408       6.310889      37.49261 10.99194 22.36878 9.058062 15.12384       14.24328 
1 1 1 34 13 5  o 26.60232 7.227406 5.355896       5.977208      1.373688       9.932493      9.337394       6.651654      24.44717 10.69589 28.75747 9.723148 -4.310293      14.45481 
1 1 1 34 13 6  o 31.66031 7.782084 12.11453       6.162822      16.42900       10.17337      7.800055       6.963373      36.20995 12.02469 27.11067 9.881813 9.099272       15.56417 
1 1 1 34 13 7  o 34.54370 7.657977 14.25405       6.104729      13.43933       9.911241      15.06877       7.127024      33.45007 11.82885 35.63733 9.729171 -2.187256      15.31595 
1 1 1 34 13 8  o 40.61913 7.309783 19.58869       6.108272      17.53418       9.762465      21.64320       7.346645      37.65041 11.72271 43.58784 8.735549 -5.937424      14.61957 
1 1 1 34 13 9  o 50.85893 7.024026 30.69721       6.988169      37.34958       11.18645      24.05194       8.380984      56.28065 10.32336 45.43722 9.527641 10.84343       14.04805 
1 1 1 34 13 10 o 33.64471 9.471292 18.71730       9.882903      29.57078       17.42083      7.870899       9.351563      40.38313 15.43633 26.90629 10.97912 13.47684       18.94258 
1 1 1 34 13 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 13 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 13 13 o 21.44998 6.670785 1.289382       5.548594      3.148360       8.749379      -0.5690993     6.830184      23.62535 10.18440 19.27460 8.618327 4.350752       13.34157 
1 1 1 34 13 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 13 15 o 51.19954 5.449214 30.59803       5.346686      25.46884       7.651280      35.72014       7.474166      45.76866 8.673403 56.63041 6.599075 -10.86175      10.89843 
1 1 1 34 13 16 o 44.18478 6.489161 24.44159       5.586143      26.75822       8.728126      22.13203       6.972582      45.65684 9.839327 42.71272 8.463125 2.944118       12.97832 
1 1 1 34 13 17 o 29.20658 7.489843 10.96683       6.381025      7.970083       10.75430      13.95650       6.874108      26.34605 11.32294 32.06712 9.807247 -5.721077      14.97969 
1 1 1 34 13 18 o 16.50502 5.548215 -4.463954      4.937909      -2.109061      7.630026      -6.819557      6.268381      18.39743 8.559286 14.61261 7.061827 3.784827       11.09643 
1 1 1 34 13 19 o 25.50772 6.975661 8.827310       5.220581      7.282885       8.019674      10.37173       6.686368      24.05681 10.03007 26.95862 9.697274 -2.901802      13.95132 
1 1 1 34 13 20 o 21.12551 6.595585 3.440950       5.584017      -0.1897234     7.856731      7.071057       7.941744      18.88949 8.748566 23.36154 9.872668 -4.472057      13.19117 
1 1 1 34 14 0  o 16.74734 10.81853 1.619521       8.189702      1.619521       8.189702      1.619521       8.189702      16.74734 10.81853 16.74734 10.81853 0.000000       0.000000 
1 1 1 34 14 1  o 38.86320 7.312810 18.35599       6.048761      11.81698       8.494337      24.89499       8.614774      31.70338 10.97584 46.02303 9.666422 -14.31965      14.62562 
1 1 1 34 14 2  o 21.98696 6.795358 -1.641483      6.116773      -7.785885      9.337394      4.499377       7.906322      19.28359 9.106706 24.69033 10.08838 -5.406740      13.59072 
1 1 1 34 14 3  o 29.93848 7.446213 8.529759       6.507838      20.73638       10.29380      -3.683241      7.970083      40.45485 11.92350 19.42210 8.922694 21.03275       14.89243 
1 1 1 34 14 4  o 25.65296 7.531541 4.596435       6.407947      8.026759       10.00334      1.166820       8.012589      28.94298 11.52888 22.36294 9.694403 6.580040       15.06308 
1 1 1 34 14 5  o 31.54745 7.624982 11.56902       6.293177      20.45300       10.27963      2.684324       7.261631      40.37962 11.91973 22.71529 9.512174 17.66432       15.24996 
1 1 1 34 14 6  o 59.43637 5.879045 38.83733       6.992419      40.23298       11.47692      37.44876       7.998421      59.58417 9.630846 59.28857 6.745331 0.2956047      11.75809 
1 1 1 34 14 7  o 25.69907 7.436782 5.017964       6.162114      8.735210       9.698705      1.300717       7.601687      29.37540 11.44994 22.02275 9.493246 7.352655       14.87356 
1 1 1 34 14 8  o 25.04654 7.386355 4.147277       6.556721      0.4527007      10.52759      7.842561       7.821308      23.46797 10.58797 26.62512 10.30184 -3.157150      14.77271 
1 1 1 34 14 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 14 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 14 11 o 26.98841 7.247894 8.515590       6.076391      18.60394       9.443663      -1.570638      7.651280      35.05952 11.58542 18.91730 8.712401 16.14222       14.49579 
1 1 1 34 14 12 o 33.19873 6.982159 13.65895       5.393443      20.13420       7.658363      7.176617       7.594603      40.38557 9.608047 26.01189 10.13349 14.37368       13.96432 
1 1 1 34 14 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 14 14 o 25.05494 7.226565 6.541135       5.940369      -0.9273633E-01 6.653780      13.17720       9.840395      19.08788 8.521317 31.02200 11.67391 -11.93412      14.45313 
1 1 1 34 14 15 o 28.09650 6.365862 9.209873       4.664447      16.57069       6.729583      1.853310       6.461080      36.05615 9.279552 20.13685 8.717035 15.91930       12.73172 
1 1 1 34 14 16 o 33.93465 6.701816 15.35215       4.842976      18.55435       6.724624      12.15703       6.970457      38.01695 8.977021 29.85235 9.953412 8.164606       13.40363 
1 1 1 34 14 17 o 17.86324 5.764856 -0.8147195     4.579432      0.1739957      6.735251      -1.803718      6.207455      18.74967 8.463528 16.97682 7.829620 1.772854       11.52971 
1 1 1 34 14 18 o 29.27337 6.608032 11.84531       4.816055      5.941077       6.861355      17.74672       6.760046      22.68431 9.354921 35.86243 9.335405 -13.17812      13.21606 
1 1 1 34 14 19 o 20.63266 6.150118 2.714079       4.770715      -3.107978      6.901029      8.536844       6.589310      16.63601 7.848293 24.62930 9.471015 -7.993286      12.30024 
1 1 1 34 14 20 o 16.16853 5.427586 -2.773589      4.745918      -3.076098      6.678575      -2.470371      6.745878      15.99454 7.622854 16.34252 7.728315 -0.3479757     10.85517 
1 1 1 34 15 0  o 56.93077 10.57827 37.51960       10.86765      37.51960       10.86765      37.51960       10.86765      56.93077 10.57827 56.93077 10.57827 0.000000       0.000000 
1 1 1 34 15 1  o 46.46395 8.104823 26.68738       7.573349      32.45417       11.06602      20.92058       10.35048      51.97482 10.98482 40.95309 11.92000 11.02172       16.20965 
1 1 1 34 15 2  o 35.15725 8.278481 14.23988       7.382068      6.089143       10.37882      22.38708       10.49217      27.96103 11.51401 42.35346 11.89792 -14.39243      16.55696 
1 1 1 34 15 3  o 34.22481 7.408893 8.940661       7.651280      29.32990       11.02351      -11.44150      10.61261      48.88619 11.46161 19.56343 9.391393 29.32276       14.81779 
1 1 1 34 15 4  o 22.33051 7.069684 -3.685366      6.959122      -11.39899      10.40007      4.026840       9.252379      19.22216 9.244390 25.43886 10.69874 -6.216696      14.13937 
1 1 1 34 15 5  o 28.09303 7.747443 6.621190       7.027133      17.14453       10.54885      -3.903569      9.287803      35.70288 12.24378 20.48318 9.496383 15.21969       15.49489 
1 1 1 34 15 6  o 28.72426 13.79401 13.48184       22.94675      13.48184       22.94675      ?              ?             28.72426 13.79401 ?        ?        ?              ?        
1 1 1 34 15 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 15 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 15 9  o 28.30421 8.426082 12.66712       8.706873      14.06985       9.769550      11.27147       14.41699      29.36781 11.48252 27.24063 12.33480 2.127180       16.85216 
1 1 1 34 15 10 o 17.83338 5.962848 -5.848978      5.621565      -6.375357      7.254546      -5.323307      8.586436      16.76554 7.968934 18.90122 8.872335 -2.135677      11.92570 
1 1 1 34 15 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 15 12 f 24.50982 6.770623 5.149736       5.375024      -3.018713      7.044845      13.31889       8.118857      17.76081 8.248199 31.25882 10.73930 -13.49800      13.54125 
1 1 1 34 15 13 o 18.38908 6.018964 -2.653152      5.212788      -5.593935      6.468165      0.2881982      8.175533      15.82056 7.522076 20.95761 9.398409 -5.137047      12.03793 
1 1 1 34 15 14 o 14.70378 5.108517 -10.64095      5.110063      -12.21371      6.448328      -9.075267      7.927575      13.20402 6.538622 16.20355 7.850746 -2.999524      10.21703 
1 1 1 34 15 15 o 43.45411 6.577530 24.45576       5.562055      24.78873       7.268716      24.12278       8.416408      44.68806 8.440742 42.22017 10.09007 2.467896       13.15506 
1 1 1 34 15 16 o 14.66100 5.064213 -9.642029      4.972623      -6.546803      6.513506      -12.73796      7.516674      15.04927 7.256666 14.27272 7.065821 0.7765474      10.12843 
1 1 1 34 15 17 o 24.20335 6.850395 7.637110       5.100852      4.485917       6.633943      10.78972       7.750463      21.35965 9.024781 27.04705 10.30849 -5.687405      13.70079 
1 1 1 34 15 18 o 17.62364 5.819390 -2.563179      5.177365      -7.509589      7.148279      2.383940       7.488335      15.14418 7.373102 20.10309 9.005474 -4.958913      11.63878 
1 1 1 34 15 19 o 26.54346 6.900132 11.14395       5.270173      3.437408       6.815306      18.84482       8.040927      19.77234 8.742540 33.31459 10.67779 -13.54225      13.80026 
1 1 1 34 16 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 16 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 16 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 16 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 16 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 16 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 16 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 16 7  o 27.87849 7.631153 9.847479       6.232251      4.633275       7.863815      15.06169       9.670367      23.36544 9.846737 32.39155 11.66104 -9.026110      15.26231 
1 1 1 34 16 8  o 21.12031 6.604749 -1.626605      5.957372      4.092017       7.268716      -7.346645      9.436578      23.16560 9.596712 19.07502 9.077112 4.090580       13.20950 
1 1 1 34 16 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 16 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 16 11 o 17.91692 6.037739 -6.153612      6.005546      -5.262380      6.953454      -7.044137      9.790804      16.62956 7.855697 19.20428 9.170888 -2.574718      12.07548 
1 1 1 34 16 12 o 28.14523 7.123264 9.712874       5.295677      12.14286       6.778466      7.275800       8.140111      30.58925 9.803745 25.70121 10.33683 4.888035       14.24653 
1 1 1 34 16 13 f 39.97096 7.445673 22.15329       6.236501      20.29006       6.806097      24.01651       10.44966      40.21893 8.707178 39.72300 12.08045 0.4959297      14.89135 
1 1 1 34 16 14 o 24.92459 6.933465 7.481250       5.275132      2.095600       6.506421      12.86548       8.303054      19.96839 8.697205 29.88080 10.80048 -9.912407      13.86693 
1 1 1 34 16 15 o 40.78849 7.010180 23.12387       5.697370      20.50259       7.353730      25.75222       8.699788      38.83212 9.527444 42.74486 10.28583 -3.912739      14.02036 
1 1 1 34 16 16 o 38.87261 6.917202 21.97617       5.535134      14.72163       7.005879      29.23072       8.572267      31.67745 9.944283 46.06778 9.617796 -14.39033      13.83440 
1 1 1 34 16 17 o 15.38485 5.237006 -8.501422      5.051261      -0.6106146     6.723207      -16.39357      7.537927      17.69481 8.156050 13.07488 6.571436 4.619923       10.47401 
1 1 1 34 16 18 o 23.98362 6.952094 6.558138       6.198953      -2.231623      9.330310      15.34507       8.161365      18.54217 8.878016 29.42506 10.70081 -10.88289      13.90419 
1 1 1 34 17 0  o 38.10750 15.40604 26.65904       11.42024      26.65904       11.42024      26.65904       11.42024      38.10750 15.40604 38.10750 15.40604 0.000000       0.000000 
1 1 1 34 17 1  o 36.01942 8.585339 22.17454       7.467082      17.30748       10.23004      27.04160       10.88182      31.93046 11.92507 40.10839 12.35414 -8.177927      17.17068 
1 1 1 34 17 2  o 28.27268 7.485676 10.99517       5.757588      12.34123       7.955913      9.656199       8.324308      29.56066 10.58339 26.98470 10.58930 2.575956       14.97135 
1 1 1 34 17 3  o 32.37837 7.395402 13.85023       5.654862      17.25788       7.665448      10.44966       8.317224      36.17124 10.17242 28.58550 10.73731 7.585741       14.79080 
1 1 1 34 17 4  o 26.28337 6.835686 5.956663       5.505378      -3.475665      7.374983      15.38757       8.175533      18.25672 8.463395 34.31002 10.73673 -16.05330      13.67137 
1 1 1 34 17 5  o 33.03152 7.386942 13.84315       5.545760      15.40174       7.424574      12.28455       8.239295      34.92098 10.07346 31.14206 10.80708 3.778921       14.77388 
1 1 1 34 17 6  o 25.02501 11.39134 0.8558097      12.57502      0.8558097      12.57502      ?              ?             25.02501 11.39134 ?        ?        ?              ?        
1 1 1 34 17 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 17 8  o 38.72002 7.156657 19.82248       5.617314      18.70313       7.424574      20.94892       8.430575      37.96523 9.732873 39.47483 10.49486 -1.509602      14.31331 
1 1 1 34 17 9  o 54.92876 5.848120 35.84766       6.006963      43.88150       8.133026      27.81382       8.841478      62.97114 6.457742 46.88638 9.751903 16.08476       11.69624 
1 1 1 34 17 10 f 24.10381 7.063698 5.505378       5.597477      6.505713       8.770633      4.505045       6.954871      25.42568 10.53786 22.78194 9.409405 2.643740       14.12740 
1 1 1 34 17 11 o 21.08222 6.285443 2.521380       4.736000      6.543969       6.713998      -1.501918      6.682117      24.13915 9.498506 18.02530 8.234415 6.113850       12.57089 
1 1 1 34 17 12 o 21.97358 6.467763 3.764713       4.896110      7.573349       6.903862      -0.4212454E-01 6.945662      24.92622 9.671703 19.02095 8.589878 5.905273       12.93553 
1 1 1 34 17 13 o 22.11679 6.624188 4.114688       5.192952      5.873065       6.755087      2.357019       7.892153      23.06684 9.358801 21.16673 9.377224 1.900110       13.24838 
1 1 1 34 17 14 o 16.24434 5.471913 -5.064013      5.000961      -3.139150      6.420699      -6.988877      7.672533      16.33184 7.667332 16.15685 7.808927 0.1749859      10.94383 
1 1 1 34 17 15 o 22.29693 6.648211 4.984667       5.256712      7.559181       6.820973      2.407319       7.998421      23.94927 9.526213 20.64459 9.276104 3.304674       13.29642 
1 1 1 34 17 16 o 37.56566 7.342108 21.80614       5.727124      19.97834       7.360813      23.63395       8.777717      36.74842 9.823034 38.38289 10.91486 -1.634464      14.68422 
1 1 1 34 18 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 18 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 18 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 18 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 34 18 4  o 20.28642 6.543919 -2.547593      6.150070      -8.572267      8.919409      3.476373       8.465999      17.60358 8.489178 22.96927 9.961193 -5.365690      13.08784 
1 1 1 34 18 5  o 25.87386 7.194897 7.750463       5.452245      7.077433       7.226208      8.430575       8.168448      25.11527 9.863178 26.63244 10.47778 -1.517174      14.38979 
1 1 1 34 18 6  o 26.87017 7.158710 8.678535       5.271589      9.153197       7.082392      8.196787       7.807138      27.27065 9.963380 26.46968 10.28200 0.8009701      14.31742 
1 1 1 34 18 7  o 18.65065 6.031142 -1.873147      5.078891      -1.639357      6.881192      -2.107644      7.474166      18.42898 8.398938 18.87233 8.657744 -0.4433498     12.06228 
1 1 1 34 18 8  o 17.71558 5.857892 -4.111854      5.192243      -8.147196      6.863481      -0.7353729E-01 7.792970      15.21712 7.360075 20.21404 9.115311 -4.996916      11.71578 
1 1 1 34 18 9  o 20.57677 6.440471 -0.1195158     5.635026      4.296052       6.880484      -4.535509      8.926493      22.19385 9.274234 18.95969 8.939086 3.234154       12.88094 
1 1 1 34 18 10 o 15.72467 5.341835 -6.620482      4.902486      -5.338893      6.646695      -7.899237      7.204955      15.88693 7.579437 15.56240 7.529473 0.3245344      10.68367 
1 1 1 34 18 11 o 21.88536 6.617270 3.969455       5.158237      2.267754       6.969748      5.670448       7.601687      20.42661 8.948125 23.34411 9.751107 -2.917500      13.23454 
1 1 1 34 18 12 o 20.89428 6.362563 2.728956       5.011588      -2.643234      6.575850      8.097604       7.566265      16.83037 7.874902 24.95818 9.995735 -8.127810      12.72513 
1 1 1 34 18 13 o 49.44696 6.074938 31.58987       5.747669      36.03186       7.750463      27.14079       8.487252      54.92606 7.055360 43.96785 9.891481 10.95821       12.14988 
1 1 1 34 18 14 f 29.96173 6.929089 13.17720       5.214205      17.98050       6.951329      8.380984       7.771716      35.39233 9.584613 24.53113 10.00921 10.86120       13.85818 
1 1 1 34 18 15 o 19.93533 6.104282 2.794842       4.734583      7.601687       6.761464      -2.012003      6.629692      23.25402 9.392590 16.61664 7.799249 6.637386       12.20856 
1 1 1 34 19 0  o 17.06353 10.65962 3.666946       7.240376      3.666946       7.240376      3.666946       7.240376      17.06353 10.65962 17.06353 10.65962 0.000000       0.000000 
1 1 1 34 19 1  o 35.91796 6.784714 16.73363       5.219872      10.54885       7.169532      22.91133       7.587519      28.77957 10.07209 43.05635 9.092987 -14.27678      13.56943 
1 1 1 34 19 2  o 29.49518 7.172857 11.22188       5.129899      11.54068       7.197870      10.90307       7.311223      29.86199 10.11449 29.12837 10.17332 0.7336254      14.34571 
1 1 1 34 19 3  o 30.95753 6.652591 11.93033       5.139817      20.49551       7.608772      3.357353       6.908822      40.10321 9.599827 21.81185 9.212556 18.29136       13.30518 
1 1 1 34 19 4  o 20.65984 6.303259 1.185948       4.961997      -3.588309      6.863481      5.959496       7.169532      17.24712 8.060329 24.07255 9.693058 -6.825436      12.60652 
1 1 1 34 19 5  o 23.41589 6.540722 4.765755       4.901069      10.18045       6.981792      -0.6467456     6.881192      28.01665 9.925927 18.81512 8.520574 9.201527       13.08144 
1 1 1 34 19 6  o 41.90549 6.393486 22.28789       5.200036      21.24647       7.304138      23.33640       7.403321      40.74057 9.183657 43.07042 8.897591 -2.329845      12.78697 
1 1 1 34 19 7  o 21.53471 6.517689 3.144109       5.093060      4.971914       6.784843      1.316303       7.594603      22.56270 9.303328 20.50672 9.130672 2.055977       13.03538 
1 1 1 34 19 8  o 19.92750 6.197158 1.456577       4.839434      -0.7729209     6.778466      3.686783       6.908822      18.36095 8.359367 21.49404 9.150959 -3.133087      12.39432 
1 1 1 34 19 9  o 18.33154 6.064691 -4.096977      5.659113      3.114354       8.536844      -11.30689      7.438744      22.04459 9.761127 14.61848 7.200159 7.426109       12.12938 
1 1 1 34 19 10 o 19.98247 6.272594 1.111561       5.181617      4.762921       7.063264      -2.539800      7.580434      22.00470 9.305509 17.96024 8.413635 4.044456       12.54519 
1 1 1 34 19 11 o 29.90770 6.847124 12.95050       5.250336      4.568805       6.852146      21.33857       7.955913      21.51886 9.135957 38.29654 10.20131 -16.77768      13.69425 
1 1 1 34 19 12 o 24.50545 6.806334 6.225874       5.696661      12.88674       7.051930      -0.4377524     8.947746      29.24662 10.01142 19.76427 9.223680 9.482347       13.61267 
1 1 1 34 19 13 o 18.68811 5.950086 -1.301426      5.071097      -10.75430      6.682826      8.147196       7.630026      13.42106 6.648612 23.95515 9.869653 -10.53409      11.90017 
1 1 1 34 19 14 o 15.43121 5.286164 -7.268716      5.242543      -1.611019      7.105771      -12.92216      7.715039      17.03392 8.014829 13.82850 6.894683 3.205421       10.57233 
1 1 1 34 20 0  o 29.04784 12.66500 14.32489       7.580434      14.32489       7.580434      14.32489       7.580434      29.04784 12.66500 29.04784 12.66500 0.000000       0.000000 
1 1 1 34 20 1  o 30.48045 7.050133 12.58919       5.211371      8.048012       7.382068      17.12328       7.353730      25.50732 9.979653 35.45358 9.961124 -9.946262      14.10027 
1 1 1 34 20 2  o 23.22870 6.676410 4.875566       5.137692      0.1429656      7.275800      9.606606       7.254546      19.47100 8.792467 26.98639 10.04939 -7.515385      13.35282 
1 1 1 34 20 3  o 14.33032 4.972721 -10.14503      4.855729      -9.741212      6.902445      -10.54176      6.830893      14.51114 7.100101 14.14951 6.964221 0.3616209      9.945442 
1 1 1 34 20 4  o 20.97382 6.403167 2.237999       5.086684      6.427783       7.318307      -1.951785      7.067515      23.93135 9.730104 18.01628 8.326298 5.915066       12.80633 
1 1 1 34 20 5  o 16.94453 5.635287 -3.727165      4.922323      -4.394526      7.076725      -3.059803      6.844352      16.76873 7.923127 17.12033 8.015603 -0.3515987     11.27057 
1 1 1 34 20 6  o 19.22478 6.096151 -0.1676905     5.013713      4.563846       7.247461      -4.898944      6.929367      22.16424 9.402152 16.28531 7.762202 5.878929       12.19230 
1 1 1 34 20 7  o 25.84924 6.263256 6.939993       4.861396      -2.601435      6.905280      16.47859       6.845061      17.22773 8.063253 34.47075 9.586316 -17.24302      12.52651 
1 1 1 34 20 8  o 15.88833 5.375636 -8.331393      5.205703      -0.6970457     6.832309      -15.96142      7.856731      18.06061 8.282134 13.71606 6.855370 4.344547       10.75127 
1 1 1 34 20 9  o 19.86137 6.179150 1.988624       4.874856      5.319765       6.925824      -1.343225      6.862772      22.08304 9.270427 17.63971 8.172316 4.443333       12.35830 
1 1 1 34 20 10 o 20.84706 6.378551 3.676156       4.957746      0.8983169      6.912364      6.453288       7.112856      18.81717 8.529707 22.87695 9.486188 -4.059780      12.75710 
1 1 1 34 20 11 o 20.41716 6.280838 3.366563       4.925157      6.961956       7.039177      -0.2281215     6.891110      22.91837 9.466038 17.91596 8.257711 5.002411       12.56168 
1 1 1 34 20 12 o 21.37299 6.565931 4.700578       5.503253      8.062181       7.080267      1.338265       8.423491      23.30085 9.538096 19.44513 9.026101 3.855724       13.13186 
1 1 1 34 21 0  o 12.97008 8.887708 -1.597559      6.971166      -1.597559      6.971166      -1.597559      6.971166      12.97008 8.887708 12.97008 8.887708 0.000000       0.000000 
1 1 1 34 21 1  o 33.23101 6.602398 15.46550       5.239709      6.249253       7.226208      24.67537       7.587519      23.25647 9.597264 43.20555 9.069684 -19.94908      13.20480 
1 1 1 34 21 2  o 32.60283 7.048254 15.45133       5.294260      20.80723       7.622942      10.09544       7.353730      38.51650 9.854852 26.68917 10.07936 11.82733       14.09651 
1 1 1 34 21 3  o 39.46928 6.769060 21.73530       5.405487      26.57403       7.495420      16.89658       7.792970      45.37336 8.572401 33.56520 10.47829 11.80816       13.53812 
1 1 1 34 21 4  o 22.59320 6.536833 4.963413       5.029299      10.47800       7.247461      -0.5540801     6.977541      26.92333 10.04079 18.26308 8.372769 8.660248       13.07367 
1 1 1 34 21 5  o 27.58756 6.726024 10.40007       5.035675      3.376481       6.912364      17.42792       7.325392      20.63511 8.975665 34.54001 10.01973 -13.90490      13.45205 
1 1 1 34 21 6  o 16.87527 5.666123 -3.652069      5.129191      -5.574099      6.796887      -1.729331      7.686701      15.55441 7.478739 18.19613 8.514004 -2.641716      11.33225 
1 1 1 34 21 7  o 39.62378 6.799091 22.64920       5.466414      28.45142       7.821308      16.83990       7.637110      46.22410 8.777626 33.02346 10.38575 13.20064       13.59818 
1 1 1 34 21 8  o 19.32377 6.076500 1.404151       4.918780      -2.541217      7.098687      5.348811       6.813181      17.00331 8.003458 21.64423 9.145494 -4.640919      12.15300 
1 1 1 34 21 9  o 24.89570 6.797814 9.110690       5.059763      13.80064       7.311223      4.424990       6.998795      29.07790 10.17164 20.71351 9.021026 8.364395       13.59563 
1 1 1 34 22 0  o 25.79866 12.72626 13.05677       7.792970      13.05677       7.792970      13.05677       7.792970      25.79866 12.72626 25.79866 12.72626 0.000000       0.000000 
1 1 1 34 22 1  o 19.72500 6.228147 2.225247       5.030007      2.173530       7.141194      2.276964       7.084518      19.71201 8.813173 19.73799 8.802684 -0.2597618E-01 12.45629 
1 1 1 34 22 2  o 27.29453 6.935573 11.11561       5.029299      15.43716       7.304138      6.800429       6.918032      31.61188 10.18134 22.97717 9.420669 8.634705       13.87115 
1 1 1 34 22 3  f 15.53330 5.298854 -6.636776      4.967664      -1.223496      7.169532      -12.05077      6.881192      17.72572 8.266162 13.34088 6.631892 4.384845       10.59771 
1 1 1 34 22 4  o 23.78699 6.835378 7.792970       5.204287      10.58427       7.367898      5.005920       7.353730      26.08557 10.01914 21.48842 9.300887 4.597143       13.67076 
1 1 1 34 22 5  o 27.74218 6.734887 11.38482       5.158946      3.694576       7.190785      19.07861       7.396237      20.35385 8.992406 35.13050 10.02853 -14.77666      13.46977 
1 1 1 34 22 6  o 19.67013 6.162169 -1.010252      5.455787      -14.14778      7.091603      12.12869       8.288886      12.87513 6.437533 26.46513 10.50940 -13.59000      12.32434 
1 1 1 35 0  1  o 94.11855 4.944118 90.39845       9.252379      90.39845       9.252379      90.39845       9.252379      94.11855 4.944118 94.11855 4.944118 0.000000       0.000000 
1 1 1 35 0  2  o 53.54890 6.619024 30.56969       6.910948      30.56969       6.910948      30.56969       6.910948      53.54890 6.619024 53.54890 6.619024 0.000000       0.000000 
1 1 1 35 0  3  o 147.8581 3.807595 220.6119       11.24313      220.6119       11.24313      220.6119       11.24313      147.8581 3.807595 147.8581 3.807595 0.000000       0.000000 
1 1 1 35 0  4  o 10.83034 7.625425 -5.411155      6.031050      -5.411155      6.031050      -5.411155      6.031050      10.83034 7.625425 10.83034 7.625425 0.000000       0.000000 
1 1 1 35 0  5  o 111.5543 4.130800 125.9627       9.188620      125.9627       9.188620      125.9627       9.188620      111.5543 4.130800 111.5543 4.130800 0.000000       0.000000 
1 1 1 35 0  6  o 21.03523 11.07594 6.909530       6.121023      6.909530       6.121023      6.909530       6.121023      21.03523 11.07594 21.03523 11.07594 0.000000       0.000000 
1 1 1 35 0  7  o 26.93083 11.52237 10.84640       6.296011      10.84640       6.296011      10.84640       6.296011      26.93083 11.52237 26.93083 11.52237 0.000000       0.000000 
1 1 1 35 0  8  o 34.33928 10.72600 15.35923       6.441244      15.35923       6.441244      15.35923       6.441244      34.33928 10.72600 34.33928 10.72600 0.000000       0.000000 
1 1 1 35 0  9  o 17.01678 10.27683 3.527381       6.256337      3.527381       6.256337      3.527381       6.256337      17.01678 10.27683 17.01678 10.27683 0.000000       0.000000 
1 1 1 35 0  10 o 20.46838 11.01360 6.580100       6.155738      6.580100       6.155738      6.580100       6.155738      20.46838 11.01360 20.46838 11.01360 0.000000       0.000000 
1 1 1 35 0  11 o 43.86666 8.129420 21.69279       6.439118      21.69279       6.439118      21.69279       6.439118      43.86666 8.129420 43.86666 8.129420 0.000000       0.000000 
1 1 1 35 0  12 o 42.22670 8.441360 20.55219       6.334267      20.55219       6.334267      20.55219       6.334267      42.22670 8.441360 42.22670 8.441360 0.000000       0.000000 
1 1 1 35 0  13 o 24.54459 12.10074 9.861650       7.044137      9.861650       7.044137      9.861650       7.044137      24.54459 12.10074 24.54459 12.10074 0.000000       0.000000 
1 1 1 35 0  14 o 11.34354 7.903159 -4.359813      6.147236      -4.359813      6.147236      -4.359813      6.147236      11.34354 7.903159 11.34354 7.903159 0.000000       0.000000 
1 1 1 35 0  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 0  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 0  17 o 22.12675 11.24010 8.253463       6.158571      8.253463       6.158571      8.253463       6.158571      22.12675 11.24010 22.12675 11.24010 0.000000       0.000000 
1 1 1 35 0  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 0  19 f 36.55917 11.39576 18.41266       7.282885      18.41266       7.282885      18.41266       7.282885      36.55917 11.39576 36.55917 11.39576 0.000000       0.000000 
1 1 1 35 0  20 o 58.26113 7.319798 38.14305       8.310139      38.14305       8.310139      38.14305       8.310139      58.26113 7.319798 58.26113 7.319798 0.000000       0.000000 
1 1 1 35 0  21 o 14.67436 9.718124 0.9727044      7.155363      0.9727044      7.155363      0.9727044      7.155363      14.67436 9.718124 14.67436 9.718124 0.000000       0.000000 
1 1 1 35 0  22 o 15.71260 10.06151 3.076098       6.873399      3.076098       6.873399      3.076098       6.873399      15.71260 10.06151 15.71260 10.06151 0.000000       0.000000 
1 1 1 35 0  23 o 11.40391 8.076188 -4.714038      7.010839      -4.714038      7.010839      -4.714038      7.010839      11.40391 8.076188 11.40391 8.076188 0.000000       0.000000 
1 1 1 35 1  0  o 11.19644 7.946440 -7.002337      6.886859      -7.002337      6.886859      -7.002337      6.886859      11.19644 7.946440 11.19644 7.946440 0.000000       0.000000 
1 1 1 35 1  1  o 32.51765 5.528896 10.71179       4.502211      21.96909       6.512797      -0.5541510     6.218790      45.71560 7.123167 19.31969 8.457853 26.39592       11.05779 
1 1 1 35 1  2  o 42.92945 5.876659 20.31840       5.020798      25.50426       7.934660      15.13961       6.159280      48.92089 8.109685 36.93800 8.507261 11.98289       11.75332 
1 1 1 35 1  3  o 27.78253 5.673538 6.089851       4.404445      16.88241       6.360480      -4.706954      6.093394      39.10205 8.375690 16.46300 7.655321 22.63905       11.34708 
1 1 1 35 1  4  o 71.80501 3.642836 53.09137       5.222707      59.92085       7.658363      46.26190       7.105771      76.49229 5.005971 67.11774 5.293512 9.374550       7.285672 
1 1 1 35 1  5  o 81.49226 3.450809 68.27350       5.592519      78.42561       8.083434      58.14973       7.736294      87.67220 4.610034 75.31234 5.136139 12.35986       6.901618 
1 1 1 35 1  6  o 23.30075 6.378574 3.739917       4.403028      0.7318307      6.316556      6.747295       6.136609      20.45688 8.730892 26.14463 9.301417 -5.687752      12.75715 
1 1 1 35 1  7  o 35.43262 6.348568 14.50909       4.881233      22.83340       7.573349      6.188326       6.163530      45.41119 8.649750 25.45404 9.295113 19.95715       12.69714 
1 1 1 35 1  8  o 84.60702 3.642912 73.74983       6.167073      74.31659       9.337394      73.18307       8.055097      84.75422 5.508513 84.45982 4.768597 0.2944031      7.285824 
1 1 1 35 1  9  o 37.45498 5.963009 16.32981       5.052678      28.67813       7.948828      3.977957       6.235084      51.81699 7.670099 23.09296 9.132331 28.72404       11.92602 
1 1 1 35 1  10 o 17.69594 5.713410 -3.367980      4.543301      -1.017337      6.844352      -5.717914      5.977208      19.77089 8.749050 15.62100 7.350263 4.149884       11.42682 
1 1 1 35 1  11 o 23.62439 6.560277 4.464664       4.579432      6.659447       6.918740      2.269879       5.999878      26.18183 9.801260 21.06695 8.722628 5.114874       13.12055 
1 1 1 35 1  12 o 53.25364 4.445933 30.07378       4.735292      30.44217       6.700537      29.71247       6.692035      53.59415 6.251183 52.91313 6.323606 0.6810265      8.891866 
1 1 1 35 1  13 o 22.46606 6.244613 2.539800       4.539759      7.778800       6.184076      -2.701327      6.646695      26.76206 9.355421 18.17007 8.273867 8.591990       12.48923 
1 1 1 35 1  14 f 50.85102 4.847422 27.75006       4.917363      31.51194       7.183701      23.98818       6.714706      54.43305 6.598658 47.26899 7.102654 7.164059       9.694843 
1 1 1 35 1  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 1  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 1  17 o 14.75169 5.062022 -9.748297      4.767172      -6.436993      6.083476      -13.05677      7.339560      15.03481 7.191500 14.46856 7.125912 0.5662489      10.12404 
1 1 1 35 1  18 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 1  19 o 22.42014 6.467805 4.387442       4.609896      2.479581       6.188326      6.294595       6.833726      20.48437 8.688704 24.35591 9.583132 -3.871540      12.93561 
1 1 1 35 1  20 o 22.08557 6.375257 4.678616       4.468914      4.914530       5.933992      4.442701       6.683534      22.05664 8.844444 22.11450 9.184302 -0.5786133E-01 12.75051 
1 1 1 35 1  21 o 26.71295 6.510334 8.473083       4.892568      0.8664366      6.847895      16.08185       6.989584      19.29680 8.628842 34.12910 9.750943 -14.83230      13.02067 
1 1 1 35 1  22 o 24.70353 6.581758 6.782009       5.112188      15.14670       7.438744      -1.579848      7.012255      31.71564 10.28070 17.69142 8.221028 14.02422       13.16352 
1 1 1 35 1  23 o 26.28015 7.014402 10.52759       5.202870      6.881900       7.247461      14.17612       7.467082      22.87464 9.535925 29.68567 10.28948 -6.811028      14.02880 
1 1 1 35 2  0  o 20.31565 10.91289 6.395194       6.035301      6.395194       6.035301      6.395194       6.035301      20.31565 10.91289 20.31565 10.91289 0.000000       0.000000 
1 1 1 35 2  1  o 76.26109 3.459071 59.59496       5.275132      56.08104       7.275800      63.10888       7.644195      74.00208 4.915943 78.52010 4.867667 -4.518028      6.918141 
1 1 1 35 2  2  o 28.46449 6.603854 8.657280       4.346352      8.026759       6.152195      9.294888       6.141568      27.67942 9.350980 29.24955 9.327524 -1.570133      13.20771 
1 1 1 35 2  3  o 21.87465 6.177647 2.541925       4.239376      5.918406       6.191869      -0.8345562     5.791594      25.27182 9.307850 18.47747 8.125099 6.794355       12.35529 
1 1 1 35 2  4  o 67.58020 3.697552 46.99161       4.976873      42.04661       7.025717      51.92951       7.050512      63.92729 5.495084 71.23310 4.948902 -7.305809      7.395104 
1 1 1 35 2  5  o 27.84951 6.452054 7.715039       4.469623      12.64586       6.447619      2.788466       6.191161      33.62018 9.287267 22.07883 8.958944 11.54135       12.90411 
1 1 1 35 2  6  o 59.92344 4.410632 37.32124       5.263797      36.15229       8.104689      38.48310       6.718248      58.73512 6.899355 61.11177 5.496689 -2.376648      8.821263 
1 1 1 35 2  7  f 97.81148 3.284217 97.97889       6.448328      102.7963       9.975000      93.16142       8.175533      100.0475 4.985135 95.57549 4.277003 4.471977       6.568433 
1 1 1 35 2  8  o 56.44496 4.848712 33.91359       5.491210      40.67222       8.437660      27.16204       7.027842      62.15146 6.787982 50.73845 6.925558 11.41301       9.697425 
1 1 1 35 2  9  o 64.64304 4.385443 43.73273       5.599603      39.32616       8.458915      48.13930       7.339560      61.03667 6.929370 68.24941 5.377014 -7.212738      8.770886 
1 1 1 35 2  10 o 31.02154 6.850616 10.90307       4.737417      12.72379       7.148279      9.082352       6.221623      33.29672 9.964747 28.74637 9.403591 4.550350       13.70123 
1 1 1 35 2  11 o 20.33008 6.038180 -0.2361270     4.545426      -5.483417      6.727458      5.010880       6.114647      16.85890 7.902790 23.80126 9.131506 -6.942366      12.07636 
1 1 1 35 2  12 o 55.21095 4.750107 32.62420       5.256004      33.67979       8.083434      31.56861       6.716123      55.81215 7.241644 54.60973 6.149199 1.202419       9.500214 
1 1 1 35 2  13 o 51.27804 5.377687 28.89066       5.273715      26.04269       8.111773      31.73864       6.740210      47.76547 8.822967 54.79061 6.150881 -7.025143      10.75537 
1 1 1 35 2  14 o 25.28449 7.014435 5.221290       5.641402      13.19846       9.514507      -2.753044      6.065056      33.28569 11.60733 17.28328 7.879035 16.00241       14.02887 
1 1 1 35 2  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 2  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 2  17 o 21.80985 6.728204 1.541591       5.783092      2.410153       5.843310      0.6730292      9.982086      20.37683 8.532866 23.24287 10.40505 -2.866043      13.45641 
1 1 1 35 2  18 o 19.23863 6.350337 -3.270922      6.003421      -6.099770      7.743378      -0.4417197     9.181536      17.17768 8.191808 21.29958 9.705740 -4.121906      12.70067 
1 1 1 35 2  19 o 29.40245 6.823958 10.94558       4.706245      12.70963       6.483750      9.181536       6.823808      31.53362 9.501037 27.27128 9.797751 4.262342       13.64792 
1 1 1 35 2  20 o 30.88541 6.740616 12.70963       4.626190      14.05568       6.347728      11.35648       6.731709      32.69215 9.277194 29.07866 9.781477 3.613482       13.48123 
1 1 1 35 2  21 o 26.40939 6.829486 9.401155       4.718289      8.912323       6.245711      9.882903       7.073891      25.95164 9.368593 26.86714 9.939668 -0.9155025     13.65897 
1 1 1 35 2  22 o 20.48919 6.026903 2.507919       4.514255      -4.643901      5.945328      9.656199       6.794761      14.90702 7.125351 26.07136 9.722325 -11.16434      12.05381 
1 1 1 35 2  23 o 21.65173 6.653025 4.960579       5.464997      6.569473       7.169532      3.350977       8.253463      22.52797 9.443503 20.77549 9.373964 1.752474       13.30605 
1 1 1 35 3  0  o 27.95694 11.12658 11.25021       5.986417      11.25021       5.986417      11.25021       5.986417      27.95694 11.12658 27.95694 11.12658 0.000000       0.000000 
1 1 1 35 3  1  o 26.50212 6.250337 6.682117       4.252836      1.436740       5.782383      11.93033       6.237210      20.31131 8.495728 32.69294 9.170032 -12.38164      12.50067 
1 1 1 35 3  2  o 59.49854 3.977505 36.52069       4.728208      38.91526       6.757213      34.12612       6.616231      61.49168 5.494412 57.50538 5.752707 3.986301       7.955011 
1 1 1 35 3  3  o 32.79894 6.175378 12.00117       4.260629      16.19521       6.233667      7.814223       5.808597      38.31624 8.365654 27.28164 9.086088 11.03460       12.35076 
1 1 1 35 3  4  o 65.73821 3.780171 44.41284       4.973331      46.22648       7.268716      42.60629       6.791219      67.05386 5.420057 64.42256 5.270839 2.631302       7.560341 
1 1 1 35 3  5  f 25.02501 6.092933 4.875566       4.273381      11.54068       6.219499      -1.788132      5.861730      32.16721 9.200559 17.88280 7.990310 14.28441       12.18587 
1 1 1 35 3  6  o 31.79618 6.484018 11.34231       4.387442      13.58102       6.495794      9.110690       5.899278      34.71289 9.204641 28.87946 9.134797 5.833427       12.96804 
1 1 1 35 3  7  o 24.84873 6.737115 5.314805       4.769298      7.948828       7.431659      2.677239       5.981458      28.11152 10.21240 21.58594 8.789870 6.525576       13.47423 
1 1 1 35 3  8  o 37.08192 6.209477 15.12545       5.081016      6.469582       7.658363      23.77564       6.676449      26.74249 10.23112 47.42134 7.039498 -20.67885      12.41895 
1 1 1 35 3  9  o 28.93895 6.919276 9.089437       4.805429      11.33523       7.275800      6.852146       6.279717      31.70525 10.15659 26.17264 9.399429 5.532610       13.83855 
1 1 1 35 3  10 o 63.21859 4.201329 41.74906       5.325432      43.71856       8.069265      39.77956       6.951329      64.56964 6.248498 61.86754 5.617913 2.702099       8.402658 
1 1 1 35 3  11 o 33.87633 6.232246 13.01426       4.675782      6.168490       6.858521      19.86499       6.357646      25.51911 9.705642 42.23355 7.820748 -16.71445      12.46449 
1 1 1 35 3  12 o 39.27175 6.280169 17.84590       4.840142      17.71129       7.431659      17.98050       6.202496      38.67061 9.633369 39.87290 8.059796 -1.202290      12.56034 
1 1 1 35 3  13 o 26.39126 6.801864 6.728875       4.932950      1.727206       6.492960      11.73196       7.424574      21.08992 8.920458 31.69259 10.27068 -10.60266      13.60373 
1 1 1 35 3  14 o 27.94641 7.302397 8.076350       5.587560      12.22788       8.147196      3.927657       7.651280      31.96897 10.76083 23.92384 9.874435 8.045124       14.60479 
1 1 1 35 3  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 3  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 3  17 o 18.36258 6.089499 -5.698786      5.862438      -2.344267      6.836560      -9.054014      9.528677      18.20552 8.321856 18.51964 8.892398 -0.3141136     12.17900 
1 1 1 35 3  18 o 25.49335 6.562169 5.570556       5.223415      15.59302       7.743378      -4.450494      7.013672      33.98254 10.41212 17.00415 7.989744 16.97839       13.12434 
1 1 1 35 3  19 o 20.54801 6.103630 -0.2568138     4.853603      8.515590       7.112856      -9.032760      6.605605      26.52987 9.936565 14.56615 7.090969 11.96372       12.20726 
1 1 1 35 3  20 o 30.79471 6.863161 12.80881       4.726081      12.96467       6.458246      12.66003       6.902445      31.12936 9.503054 30.46005 9.904739 0.6693153      13.72632 
1 1 1 35 3  21 o 33.84966 6.242503 15.80556       4.829516      6.143694       6.276883      25.46176       7.339560      22.95754 9.136288 44.74176 8.509030 -21.78422      12.48501 
1 1 1 35 3  22 o 30.78352 6.806114 13.70854       4.748752      15.54343       6.425658      11.87365       6.993836      33.29770 9.297119 28.26934 9.942652 5.028357       13.61223 
1 1 1 35 3  23 o 26.04957 6.955141 10.73304       4.981124      8.274716       6.432742      13.19137       7.608772      23.87275 9.320848 28.22640 10.32558 -4.353653      13.91028 
1 1 1 35 4  0  o 11.37370 7.888365 -3.591142      5.795844      -3.591142      5.795844      -3.591142      5.795844      11.37370 7.888365 11.37370 7.888365 0.000000       0.000000 
1 1 1 35 4  1  o 43.03630 5.446671 19.99959       4.579432      16.54943       6.186910      23.44267       6.754380      38.79421 8.224328 47.27839 7.143200 -8.484173      10.89334 
1 1 1 35 4  2  o 52.39869 4.348950 28.45142       4.555345      29.15279       6.393777      27.75006       6.490835      53.08219 6.022526 51.71519 6.275560 1.367001       8.697901 
1 1 1 35 4  3  o 24.48278 6.339665 4.758671       4.344226      0.4053053      6.096227      9.110690       6.189743      19.90116 8.538112 29.06440 9.373692 -9.163235      12.67933 
1 1 1 35 4  4  o 22.89359 6.346527 3.821389       4.257795      2.875606       6.026799      4.767172       6.015463      21.94628 8.866296 23.84090 9.083084 -1.894621      12.69305 
1 1 1 35 4  5  o 17.72250 5.630559 -2.209661      4.195451      -3.328306      5.910613      -1.091724      5.955245      16.93783 7.740476 18.50717 8.179110 -1.569344      11.26112 
1 1 1 35 4  6  o 63.44828 3.993357 41.84116       5.034258      36.25856       7.084518      47.42376       7.155363      59.05986 5.997744 67.83670 5.273962 -8.776840      7.986715 
1 1 1 35 4  7  o 34.67668 5.917467 13.13470       4.681449      3.984333       6.603478      22.29498       6.637485      23.49499 9.364420 45.85837 7.236939 -22.36338      11.83493 
1 1 1 35 4  8  o 42.97617 5.787479 20.41758       4.793385      20.29714       6.847187      20.53802       6.709038      42.79659 8.295752 43.15575 8.072184 -0.3591652     11.57496 
1 1 1 35 4  9  o 44.99778 5.780861 22.13912       5.082433      22.09661       7.658363      22.18163       6.682826      44.32457 8.952410 45.67099 7.316269 -1.346420      11.56172 
1 1 1 35 4  10 o 26.47525 7.068913 6.705496       5.124940      7.012964       7.112856      6.398736       7.382068      26.69464 9.948779 26.25587 10.04489 0.4387608      14.13783 
1 1 1 35 4  11 o 20.95679 6.190285 0.5081725      4.689242      5.314805       6.225166      -4.298177      7.014381      24.08296 9.221165 17.83062 8.261272 6.252342       12.38057 
1 1 1 35 4  12 o 25.97717 7.013708 5.858188       5.354478      8.444746       6.447619      3.270214       8.551013      27.61514 9.562328 24.33918 10.26305 3.275961       14.02742 
1 1 1 35 4  13 o 35.79743 6.489977 13.40391       5.790885      24.34949       7.389152      2.451952       8.919409      47.31676 7.808176 24.27810 10.36878 23.03866       12.97995 
1 1 1 35 4  14 o 34.63219 7.301261 15.42300       5.608813      10.36465       7.382068      20.48843       8.444746      29.15833 10.21879 40.10606 10.43120 -10.94774      14.60252 
1 1 1 35 4  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 4  16 o 48.53344 6.543341 30.84599       6.161405      45.02919       8.883986      16.66279       8.543928      62.76543 7.077132 34.30145 11.00797 28.46399       13.08668 
1 1 1 35 4  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 4  18 o 30.43598 7.216913 12.11453       5.240418      10.11669       7.474166      14.10528       7.346645      28.21889 10.24253 32.65308 10.16986 -4.434187      14.43383 
1 1 1 35 4  19 o 21.17861 6.273087 2.165737       4.774965      7.367898       6.862772      -3.037133      6.639610      25.14928 9.666683 17.20793 7.997607 7.941349       12.54617 
1 1 1 35 4  20 o 21.82124 6.483072 4.134524       4.804720      3.285799       6.852854      4.983250       6.737377      21.17188 9.066834 22.47061 9.268950 -1.298729      12.96614 
1 1 1 35 4  21 o 22.39647 6.515075 5.189409       4.822432      8.508506       7.005171      1.869604       6.629692      25.21938 9.751279 19.57356 8.642762 5.645815       13.03015 
1 1 1 35 4  22 o 20.72329 6.085178 3.149068       4.520631      7.962997       6.086309      -1.661319      6.686368      24.24501 9.165775 17.20157 8.006630 7.043438       12.17036 
1 1 1 35 4  23 o 31.66426 6.878780 15.67804       4.826682      15.02626       6.096227      16.32981       7.488335      31.92733 9.101607 31.40118 10.31655 0.5261497      13.75756 
1 1 1 35 5  0  o 12.45152 8.400845 -1.822138      5.852520      -1.822138      5.852520      -1.822138      5.852520      12.45152 8.400845 12.45152 8.400845 0.000000       0.000000 
1 1 1 35 5  1  o 35.72549 5.977498 14.18321       4.236542      16.89658       5.980042      11.46984       6.002004      39.34163 7.878250 32.10934 8.991946 7.232288       11.95500 
1 1 1 35 5  2  o 52.92848 4.483313 29.44325       4.699161      23.09553       6.373232      35.79807       6.908113      47.01085 6.778471 58.84612 5.869642 -11.83527      8.966625 
1 1 1 35 5  3  o 27.73868 6.467196 8.005506       4.284717      5.065430       5.975791      10.93850       6.142277      24.11246 9.092014 31.36490 9.199659 -7.252445      12.93439 
1 1 1 35 5  4  o 16.69335 5.417735 -3.557136      4.126023      -2.217454      5.822057      -4.896110      5.848978      17.48709 7.882565 15.89961 7.434552 1.587481       10.83547 
1 1 1 35 5  5  o 21.46429 6.208672 2.493750       4.240792      3.021547       6.034592      1.965954       5.959496      21.99457 8.877711 20.93402 8.681972 1.060545       12.41734 
1 1 1 35 5  6  o 42.45395 5.517913 19.73747       4.538342      15.75597       6.412197      23.71897       6.423533      37.43393 8.718939 47.47397 6.765320 -10.04005      11.03583 
1 1 1 35 5  7  o 23.19542 6.417963 2.765796       4.768589      -3.693159      6.162114      9.224042       7.282885      17.06277 7.841674 29.32807 10.16214 -12.26531      12.83593 
1 1 1 35 5  8  o 19.66967 6.101273 -0.3428198     4.616981      -1.677614      5.698786      0.9918325      7.268716      17.58603 7.867541 21.75331 9.327589 -4.167282      12.20255 
1 1 1 35 5  9  o 62.83120 4.991960 44.37742       5.284342      64.74541       6.908113      24.01651       7.998421      79.53042 4.343063 46.13198 8.989798 33.39844       9.983920 
1 1 1 35 5  10 o 43.69920 5.589811 21.07644       4.754420      21.38816       5.831267      20.76472       7.509589      44.91789 6.491029 42.48050 9.102225 2.437389       11.17962 
1 1 1 35 5  11 o 64.02689 4.395860 44.28532       5.269464      57.53337       6.847895      31.03727       8.012589      74.63602 4.587526 53.41776 7.499930 21.21826       8.791720 
1 1 1 35 5  12 o 35.51307 6.916478 15.13961       5.165322      10.94558       6.482334      19.33365       8.040927      30.71307 9.550364 40.31308 10.00706 -9.600010      13.83296 
1 1 1 35 5  13 o 56.04137 5.228745 34.31032       5.817098      27.14787       7.807138      41.47277       8.628942      49.87566 7.826603 62.20707 6.935660 -12.33142      10.45749 
1 1 1 35 5  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 5  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 5  16 o 25.01510 6.758906 4.744502       5.344560      12.10744       7.474166      -2.619854      7.637110      30.97235 10.30677 19.05786 8.746525 11.91450       13.51781 
1 1 1 35 5  17 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 5  18 o 53.04326 6.315460 33.99152       6.512797      34.07653       8.359732      33.89942       9.989170      54.44976 7.676554 51.63675 10.03049 2.813015       12.63092 
1 1 1 35 5  19 o 25.44124 6.629249 7.226208       4.838017      1.361644       6.594269      13.09219       7.081684      19.74829 8.676978 31.13419 10.02486 -11.38590      13.25850 
1 1 1 35 5  20 o 30.74724 7.088798 13.14178       5.097310      10.83931       7.332476      15.43716       7.082392      28.04639 10.14841 33.44810 9.900201 -5.401709      14.17760 
1 1 1 35 5  21 o 27.04084 6.715124 10.18045       4.813221      4.310221       6.225874      16.04643       7.339560      21.03124 8.807369 33.05044 10.13912 -12.01921      13.43025 
1 1 1 35 5  22 o 28.98867 6.627804 12.02243       4.835892      17.58377       6.670782      6.455412       7.004463      35.22110 9.322495 22.75623 9.423492 12.46487       13.25561 
1 1 1 35 6  0  o 50.52543 6.458526 26.42525       6.560264      26.42525       6.560264      26.42525       6.560264      50.52543 6.458526 50.52543 6.458526 0.000000       0.000000 
1 1 1 35 6  1  o 75.57148 3.417843 58.49686       5.163905      57.26416       7.311223      59.73665       7.297054      74.75177 4.890334 76.39119 4.776110 -1.639420      6.835685 
1 1 1 35 6  2  o 50.68458 4.555851 26.86449       4.600686      29.20947       6.463914      24.51243       6.548929      53.01578 6.096218 48.35338 6.771945 4.662395       9.111701 
1 1 1 35 6  3  f 32.68419 6.291002 12.01534       4.269839      9.691620       5.932575      14.33906       6.142277      29.59798 9.122900 35.77040 8.664844 -6.172428      12.58200 
1 1 1 35 6  4  o 26.03984 6.730439 6.614106       4.591476      5.367230       5.983583      7.863815       6.966206      24.33352 9.113751 27.74616 9.906299 -3.412645      13.46088 
1 1 1 35 6  5  o 30.12954 6.699906 10.21588       4.544718      8.267632       5.537968      12.16412       7.204955      27.56697 8.864021 32.69211 10.04908 -5.125135      13.39981 
1 1 1 35 6  6  o 48.16647 5.285892 25.04377       4.850060      27.93425       6.116064      22.14620       7.530843      51.81898 5.901374 44.51396 8.771340 7.305023       10.57178 
1 1 1 35 6  7  o 69.86337 3.850450 50.62597       5.428158      45.81557       6.603478      55.42927       8.614774      66.74226 4.947000 72.98448 5.901785 -6.242218      7.700901 
1 1 1 35 6  8  o 28.58233 6.866330 8.940661       4.731750      7.594603       5.773174      10.28672       7.495420      26.70428 9.058359 30.46039 10.32144 -3.756107      13.73266 
1 1 1 35 6  9  o 20.80746 6.203150 1.756961       4.425699      0.9897071      5.562763      2.523505       6.884734      19.32400 8.218689 22.29093 9.293514 -2.966928      12.40630 
1 1 1 35 6  10 o 26.09859 6.660706 7.261631       4.542593      4.327223       5.479875      10.18754       7.247461      22.35534 8.628565 29.84185 10.14928 -7.486509      13.32141 
1 1 1 35 6  11 o 31.94040 6.663554 11.78155       4.689242      13.34723       5.810721      10.20879       7.360813      34.02693 8.543610 29.85387 10.22832 4.173059       13.32711 
1 1 1 35 6  12 o 28.19099 6.918663 8.543928       4.852895      9.939578       6.298845      7.148279       7.382068      29.54136 9.448794 26.84061 10.10900 2.700748       13.83733 
1 1 1 35 6  13 o 58.54341 5.157611 38.09346       5.870940      45.22048       7.885069      30.96643       8.699788      64.91615 6.073271 52.17067 8.337815 12.74548       10.31522 
1 1 1 35 6  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 6  15 o 35.53795 7.538820 19.79414       6.285384      28.98985       9.464915      10.59844       8.274716      44.27137 10.77611 26.80453 10.54564 17.46684       15.07764 
1 1 1 35 6  16 o 21.29488 6.934548 -3.554303      6.983918      1.505460       9.769550      -8.614774      9.982086      23.43015 10.39978 19.15961 9.175862 4.270542       13.86910 
1 1 1 35 6  17 o 37.42823 7.430436 18.97942       5.834100      16.39357       8.175533      21.55819       8.324308      34.55801 10.72123 40.29845 10.29081 -5.740437      14.86087 
1 1 1 35 6  18 o 30.69313 7.439041 12.10744       5.799386      15.91891       7.672533      8.295970       8.692703      34.60099 10.31733 26.78527 10.71961 7.815720       14.87808 
1 1 1 35 6  19 o 19.80000 6.191340 1.122896       4.879816      3.467872       7.240376      -1.222079      6.541844      21.68936 9.305086 17.91064 8.169831 3.778717       12.38268 
1 1 1 35 6  20 o 26.25317 6.695595 8.749379       4.777090      12.45458       6.452579      5.041343       7.046261      30.07839 9.557631 22.42795 9.379535 7.650436       13.39119 
1 1 1 35 6  21 o 26.23148 7.072688 9.797889       5.310555      13.84315       7.849646      5.752628       7.155363      29.91183 10.53209 22.55113 9.442812 7.360701       14.14538 
1 1 1 35 6  22 o 17.20497 5.732071 -2.564595      5.161071      -4.446243      7.693786      -0.6834434     6.885443      16.73248 8.023642 17.67745 8.188269 -0.9449654     11.46414 
1 1 1 35 7  0  o 14.17989 9.441237 -0.8501421     6.901738      -0.8501421     6.901738      -0.8501421     6.901738      14.17989 9.441237 14.17989 9.441237 0.000000       0.000000 
1 1 1 35 7  1  o 49.04914 4.947191 25.48301       4.894693      22.48626       6.053721      28.48685       7.693786      46.31530 6.535336 51.78298 7.428875 -5.467686      9.894382 
1 1 1 35 7  2  o 26.15259 6.092901 4.855020       4.562429      12.19954       5.644236      -2.489500      7.169532      32.97976 8.504584 19.32542 8.727304 13.65434       12.18580 
1 1 1 35 7  3  o 22.96785 6.377379 3.743459       4.510713      -0.8876901     5.277966      8.373900       7.318307      17.49207 7.719160 28.44362 10.15374 -10.95155      12.75476 
1 1 1 35 7  4  o 72.18291 3.775110 53.90610       5.369356      58.93610       6.720373      48.88317       8.373900      75.91460 4.426272 68.45121 6.116693 7.463387       7.550220 
1 1 1 35 7  5  o 23.37456 6.410290 3.906403       4.524173      -0.6774924     5.713664      8.487252       7.016507      18.35485 8.070719 28.39427 9.961463 -10.03942      12.82058 
1 1 1 35 7  6  o 19.69970 6.019143 -0.9507423E-01 4.459704      -3.883024      5.444452      3.693159       7.066098      15.72213 7.282039 23.67726 9.586044 -7.955129      12.03829 
1 1 1 35 7  7  o 42.18184 5.838839 19.84373       4.781341      18.30639       5.890069      21.38816       7.530843      40.86209 7.486266 43.50159 8.962364 -2.639500      11.67768 
1 1 1 35 7  8  o 43.44638 5.757209 20.87807       4.899652      20.43883       6.188326      21.31731       7.594603      43.73568 7.074688 43.15708 9.084637 0.5786057      11.51442 
1 1 1 35 7  9  o 43.29833 5.804686 21.18979       4.869897      19.56744       6.140152      22.80506       7.559181      41.93337 7.600978 44.66330 8.775116 -2.729927      11.60937 
1 1 1 35 7  10 o 21.68858 6.148349 1.301426       4.603519      6.563805       5.643527      -3.960245      7.275800      25.03589 8.918605 18.34126 8.465652 6.694635       12.29670 
1 1 1 35 7  11 o 16.97476 5.673047 -6.424950      5.141943      -5.420364      6.011921      -7.431659      8.345562      15.70389 7.384119 18.24563 8.614443 -2.541741      11.34609 
1 1 1 35 7  12 f 33.66218 7.046398 13.67312       5.186575      9.606606       6.630400      17.73963       7.977167      28.98674 9.707589 38.33762 10.21614 -9.350876      14.09280 
1 1 1 35 7  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 7  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 7  15 o 26.34382 7.055721 7.764632       5.214913      4.259212       6.627566      11.27147       8.055097      22.69481 9.248740 29.99284 10.65803 -7.298023      14.11144 
1 1 1 35 7  16 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 7  17 o 26.94984 6.947298 8.891070       4.924448      6.305221       6.451871      11.48400       7.438744      24.15977 9.354806 29.73992 10.27363 -5.580153      13.89460 
1 1 1 35 7  18 o 15.89439 5.396716 -10.34340      5.390610      -2.595059      6.708330      -18.08677      8.437660      17.49282 8.094903 14.29596 7.139378 3.196855       10.79343 
1 1 1 35 7  19 f 44.15202 6.199894 24.55494       5.343143      27.42417       7.190785      21.68571       7.906322      48.25513 7.450799 40.04891 9.911628 8.206219       12.39979 
1 1 1 35 7  20 f 34.70438 6.948333 17.03118       5.041343      16.05352       6.976833      18.00884       7.282885      33.70456 9.778793 35.70420 9.873831 -1.999641      13.89667 
1 1 1 35 7  21 o 27.43989 6.978332 11.14395       4.991751      7.665448       6.711873      14.62245       7.389152      23.95550 9.474550 30.92428 10.24799 -6.968775      13.95666 
1 1 1 35 7  22 o 21.82878 6.531186 6.088435       4.929408      5.288592       6.572307      6.888276       7.346645      21.11323 8.954765 22.54433 9.509876 -1.431097      13.06237 
1 1 1 35 8  0  o 46.71242 7.907481 24.03777       6.818849      24.03777       6.818849      24.03777       6.818849      46.71242 7.907481 46.71242 7.907481 0.000000       0.000000 
1 1 1 35 8  1  f 25.79419 6.444577 6.201078       4.410112      10.52051       6.398028      1.882357       6.071432      30.63025 9.480705 20.95813 8.731924 9.672121       12.88915 
1 1 1 35 8  2  o 118.1260 2.902522 142.3280       6.855688      137.8647       9.656199      146.7204       9.734127      116.2611 4.152809 119.9909 4.056193 -3.729874      5.805043 
1 1 1 35 8  3  o 26.71333 6.651263 6.829475       4.651694      10.80389       6.580100      2.857186       6.576558      30.99676 9.618801 22.42990 9.188900 8.566856       13.30253 
1 1 1 35 8  4  o 23.31226 6.495550 4.035341       4.490167      2.651735       6.349853      5.418239       6.349145      21.97410 9.020163 24.65042 9.349083 -2.676315      12.99110 
1 1 1 35 8  5  o 46.67637 5.259688 23.51352       5.006629      18.63937       5.763256      28.39475       8.189702      41.99791 6.861360 51.35482 7.973645 -9.356915      10.51938 
1 1 1 35 8  6  o 32.58817 6.643056 12.04368       4.680032      13.54560       5.882275      10.53468       7.282885      34.57540 8.544581 30.60093 10.17403 3.974466       13.28611 
1 1 1 35 8  7  o 23.34866 6.504709 4.509295       4.485917      3.641442       5.472082      5.377149       7.112856      21.72110 8.566221 24.97622 9.791058 -3.255123      13.00942 
1 1 1 35 8  8  o 24.02652 6.613011 4.857854       4.661613      5.981458       5.841893      3.734958       7.268716      24.51538 9.039834 23.53766 9.654486 0.9777241      13.22602 
1 1 1 35 8  9  o 28.56743 6.782838 9.245295       4.736708      5.122107       6.014756      13.37557       7.318307      23.65237 9.061756 33.48248 10.09515 -9.830109      13.56568 
1 1 1 35 8  10 o 27.13155 6.849412 7.686701       4.787717      8.756464       6.101895      6.624024       7.382068      27.99275 9.312658 26.27034 10.04650 1.722414       13.69882 
1 1 1 35 8  11 o 53.50198 5.279079 31.04436       5.664072      29.65579       7.261631      32.43292       8.692703      52.60541 6.901981 54.39856 7.989829 -1.793148      10.55816 
1 1 1 35 8  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 8  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 8  14 o 36.74531 7.934907 19.22738       6.786260      13.46058       10.02459      24.99418       9.153197      30.67526 11.71425 42.81536 10.70642 -12.14010      15.86981 
1 1 1 35 8  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 8  16 o 27.48766 7.555572 9.351563       6.116064      4.418614       7.729208      14.28947       9.479085      23.15462 9.760199 31.82071 11.53625 -8.666088      15.11114 
1 1 1 35 8  17 o 19.67484 6.169029 0.4819598      4.836601      -1.127855      6.602063      2.092058       7.071057      18.34577 8.324984 21.00390 9.106170 -2.658131      12.33806 
1 1 1 35 8  18 o 30.65103 6.938159 12.65295       4.918780      15.10419       6.799720      10.19462       7.112856      33.60691 9.622650 27.69514 9.997841 5.911774       13.87632 
1 1 1 35 8  19 o 14.84471 5.092970 -7.885069      4.724665      -5.588267      6.485876      -10.18754      6.871982      15.45159 7.399157 14.23782 7.000417 1.213771       10.18594 
1 1 1 35 8  20 o 22.39391 6.558582 5.375024       4.940743      1.499084       6.603478      9.252379       7.353730      19.13373 8.516853 25.65408 9.976131 -6.520350      13.11716 
1 1 1 35 8  21 f 18.68577 6.017455 -0.7523757     5.181617      5.734918       7.552096      -7.240376      7.098687      22.24650 9.522318 15.12504 7.359654 7.121469       12.03491 
1 1 1 35 9  0  o 136.6931 3.925336 189.0149       10.71179      189.0149       10.71179      189.0149       10.71179      136.6931 3.925336 136.6931 3.925336 0.000000       0.000000 
1 1 1 35 9  1  o 19.86848 6.109603 0.1420446E-01  4.527715      0.1461536      6.453288      -0.1177447     6.352687      20.03731 8.693377 19.69965 8.586863 0.3376560      12.21921 
1 1 1 35 9  2  o 26.74988 6.740534 7.297054       4.563138      8.380984       6.497920      6.215247       6.408655      27.99156 9.608502 25.50821 9.455997 2.483351       13.48107 
1 1 1 35 9  3  o 81.56883 3.469821 68.52854       5.661947      66.09855       7.849646      70.98687       8.161365      80.11802 4.898802 83.01965 4.915321 -2.901627      6.939643 
1 1 1 35 9  4  o 37.93143 6.450317 16.49984       4.840142      15.40883       6.804679      17.58377       6.885443      36.58591 9.281331 39.27695 8.960092 -2.691036      12.90063 
1 1 1 35 9  5  o 24.35332 5.740200 2.160778       4.459704      -9.351563      6.204620      13.67312       6.407238      14.29997 6.933738 34.40667 9.150020 -20.10671      11.48040 
1 1 1 35 9  6  o 19.22573 6.072145 -1.324805      4.774257      -2.196909      7.035635      -0.4526298     6.456121      19.05490 8.623119 19.39656 8.551350 -0.3416576     12.14429 
1 1 1 35 9  7  o 27.74459 7.017363 8.317224       5.011588      10.94558       7.396237      5.683200       6.762172      30.67028 10.25290 24.81891 9.583921 5.851368       14.03473 
1 1 1 35 9  8  o 74.63788 4.134440 58.66689       6.171323      58.58896       9.153197      58.74482       8.274716      74.38640 6.152467 74.88935 5.524629 -0.5029526     8.268880 
1 1 1 35 9  9  o 23.80278 6.947772 2.539800       5.673282      -0.9542845     8.933578      6.033884       6.998086      22.16063 9.883967 25.44494 9.766950 -3.284319      13.89554 
1 1 1 35 9  10 o 21.19395 6.595313 -2.592225      5.930449      -8.713958      9.507423      3.526673       7.091603      19.17823 9.119061 23.20966 9.530758 -4.031424      13.19063 
1 1 1 35 9  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 9  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 9  13 o 31.41662 7.890845 15.60719       6.879067      5.377149       8.990252      25.83724       10.41424      23.25059 10.17411 39.58266 12.06437 -16.33207      15.78169 
1 1 1 35 9  14 f 30.67411 6.987359 11.56193       5.314096      4.296052       6.822391      18.83065       8.147196      22.94440 9.372577 38.40382 10.36569 -15.45942      13.97472 
1 1 1 35 9  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 9  16 o 25.23628 7.058605 6.903154       5.277257      7.247461       7.346645      6.559555       7.580434      25.48727 9.958979 24.98529 10.00572 0.5019798      14.11721 
1 1 1 35 9  17 o 26.75820 7.135005 9.075267       5.204995      9.103605       7.389152      9.046929       7.332476      26.78803 10.10746 26.72837 10.07336 0.5966377E-01  14.27001 
1 1 1 35 9  18 o 25.15109 6.439235 6.896778       4.806137      -1.323388      6.236501      15.11836       7.318307      17.39982 7.951354 32.90236 10.13069 -15.50254      12.87847 
1 1 1 35 9  19 o 19.98180 6.339359 1.108727       5.405487      2.796968       6.614814      -0.5804346     8.551013      20.19712 8.782680 19.76648 9.144092 0.4306393      12.67872 
1 1 1 35 9  20 o 35.56882 8.812677 17.13037       6.245002      17.13037       6.245002      ?              ?             35.56882 8.812677 ?        ?        ?              ?        
1 1 1 35 9  21 o 37.11940 7.307868 21.94075       5.811430      20.93475       6.719665      22.93967       9.486169      38.64117 8.876570 35.59764 11.61147 3.043526       14.61574 
1 1 1 35 10 0  o 14.28645 9.411322 -0.5734918E-01 6.594269      -0.5734918E-01 6.594269      -0.5734918E-01 6.594269      14.28645 9.411322 14.28645 9.411322 0.000000       0.000000 
1 1 1 35 10 1  f 26.15146 6.476135 6.417865       4.546844      1.392108       6.404404      11.44150       6.455412      20.78544 8.828748 31.51747 9.477052 -10.73203      12.95227 
1 1 1 35 10 2  o 18.54525 5.858765 -1.695325      4.493710      -3.760462      6.346311      0.3703078      6.362606      17.17540 7.919495 19.91509 8.636094 -2.739691      11.71753 
1 1 1 35 10 3  o 41.46028 6.414969 19.77289       5.340310      13.41099       8.026759      26.14187       7.046261      33.58747 10.65861 49.33309 7.141516 -15.74562      12.82994 
1 1 1 35 10 4  f 39.20461 7.344291 18.58978       5.943202      20.73638       9.663282      16.43608       6.921574      40.90596 11.39466 37.50325 9.269104 3.402702       14.68858 
1 1 1 35 10 5  o 74.92236 4.607935 60.04129       6.985334      66.43153       11.36357      53.65814       8.133026      78.36823 7.250110 71.47649 5.689302 6.891747       9.215870 
1 1 1 35 10 6  o 48.64877 6.725143 27.34624       6.376774      26.03560       10.35048      28.65688       7.445828      45.83001 11.33959 51.46752 7.233521 -5.637508      13.45029 
1 1 1 35 10 7  f 47.96604 6.770087 27.26831       6.422824      13.72271       10.27255      40.81391       7.707955      33.82710 12.03441 62.10498 6.205585 -28.27789      13.54017 
1 1 1 35 10 8  o 34.92556 7.679285 14.12653       6.309471      11.65403       10.33631      16.59194       7.240376      32.22181 11.99618 37.62931 9.590484 -5.407494      15.35857 
1 1 1 35 10 9  o 27.09532 7.485190 7.033509       5.952412      6.825224       9.415324      7.240376       7.289969      27.54853 11.10162 26.64211 10.04322 0.9064255      14.97038 
1 1 1 35 10 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 10 11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 10 12 o 30.40567 11.97894 0.000000       0.000000      ?              ?             16.60611       10.69054      ?        ?        30.40567 11.97894 ?              ?        
1 1 1 35 10 13 o 24.89312 6.572237 3.396318       5.387067      14.89166       8.118857      -8.097604      7.084518      33.96107 10.71370 15.82516 7.615363 18.13592       13.14447 
1 1 1 35 10 14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 10 15 o 20.69073 6.495451 0.1637232      5.504670      -2.969830      8.083434      3.297135       7.474166      19.11090 8.859838 22.27055 9.500885 -3.159649      12.99090 
1 1 1 35 10 16 o 23.97039 6.853636 5.369356       5.274423      1.535923       7.467082      9.202788       7.452912      20.85216 9.194359 27.08861 10.16627 -6.236446      13.70727 
1 1 1 35 10 17 o 31.22189 6.865761 13.34723       5.029299      7.502505       6.633943      19.19196       7.559181      24.78872 9.511067 37.65506 9.904256 -12.86634      13.73152 
1 1 1 35 10 18 o 33.06100 7.095100 15.52926       5.107938      15.57177       6.927242      15.47967       7.509589      33.42818 9.758647 32.69383 10.30197 0.7343445      14.19020 
1 1 1 35 10 19 o 33.99080 6.988117 16.75488       5.088101      17.61211       6.717540      15.90474       7.644195      35.63882 9.319425 32.34278 10.41554 3.296043       13.97623 
1 1 1 35 10 20 o 38.52340 6.828737 21.75655       5.310555      17.52001       7.112856      26.00018       7.885069      34.17146 9.860534 42.87535 9.449681 -8.703892      13.65747 
1 1 1 35 11 0  o 10.40550 7.534323 -11.40607      7.516674      -11.40607      7.516674      -11.40607      7.516674      10.40550 7.534323 10.40550 7.534323 0.000000       0.000000 
1 1 1 35 11 1  o 33.02579 7.882074 13.24096       6.233667      16.28022       9.769550      10.20170       7.750463      36.14662 11.78363 29.90496 10.47160 6.241663       15.76415 
1 1 1 35 11 2  o 29.57599 7.816556 9.549930       6.231542      10.29380       9.408240      8.806056       8.175533      30.48918 11.42628 28.66279 10.66932 1.826393       15.63311 
1 1 1 35 11 3  o 27.99116 7.621594 7.743378       6.222332      12.85840       9.705790      2.624105       7.785885      32.85593 11.69683 23.12639 9.774401 9.729534       15.24319 
1 1 1 35 11 4  o 21.23193 6.797867 -2.667321      6.283259      2.542633       9.642029      -7.877984      8.062181      24.84995 10.70156 17.61391 8.385743 7.236048       13.59573 
1 1 1 35 11 5  o 23.70289 7.247022 1.591183       6.329308      0.4187658      9.337394      2.764379       8.543928      23.35315 10.29136 24.05263 10.20614 -0.6994839     14.49404 
1 1 1 35 11 6  o 28.01609 7.490666 5.426741       6.534760      -3.051302      9.684536      13.90691       8.777717      21.92351 9.984148 34.10868 11.16947 -12.18517      14.98133 
1 1 1 35 11 7  o 37.59297 8.166718 17.42083       6.804679      16.04643       10.18754      18.80231       9.025676      36.00945 12.03306 39.17649 11.04476 -3.167038      16.33344 
1 1 1 35 11 8  o 35.93281 7.940075 17.11619       7.119940      29.08195       11.10144      5.158237       8.912323      46.63538 11.86925 25.23023 10.54988 21.40515       15.88015 
1 1 1 35 11 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 11 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 11 11 o 27.08611 7.957271 9.734127       7.304138      2.755169       9.280719      16.71238       11.28564      22.38140 10.02579 31.79083 12.35946 -9.409431      15.91454 
1 1 1 35 11 12 o 40.27595 8.633955 22.40833       7.807138      22.96092       12.73796      21.86282       9.018591      39.46184 13.45526 41.09006 10.82297 -1.628216      17.26791 
1 1 1 35 11 13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 11 14 o 26.18530 6.753799 7.389152       5.161780      -0.8111773     6.470290      15.58594       8.048012      18.39518 8.299885 33.97541 10.65679 -15.58022      13.50760 
1 1 1 35 11 15 o 25.56939 6.944662 7.311223       5.159654      8.933578       6.475249      5.693118       8.033843      26.82451 9.553478 24.31427 10.08188 2.510237       13.88932 
1 1 1 35 11 16 o 25.07204 6.653996 6.892527       5.056221      -1.122187      6.337101      14.90582       7.877984      17.71682 8.070528 32.42727 10.58155 -14.71045      13.30799 
1 1 1 35 11 17 o 20.66247 6.336067 2.933699       4.850060      1.367312       6.197536      4.500794       7.459997      19.02700 8.384691 22.29794 9.501575 -3.270937      12.67213 
1 1 1 35 11 18 o 42.48187 6.186545 25.06503       5.387067      12.51126       6.794761      37.62588       8.359732      29.36550 9.827171 55.59824 7.517983 -26.23273      12.37309 
1 1 1 35 11 19 o 21.60014 6.379080 4.269130       4.913821      8.430575       6.590727      0.1043549      7.289969      24.54612 9.465158 18.65416 8.554616 5.891960       12.75816 
1 1 1 35 11 20 o 15.98465 5.420188 -4.594310      4.982541      -10.06710      6.569473      0.8763548      7.495420      13.32037 6.597091 18.64892 8.601870 -5.328551      10.84038 
1 1 1 35 12 0  o 19.13431 12.01073 3.840517       9.330310      3.840517       9.330310      3.840517       9.330310      19.13431 12.01073 19.13431 12.01073 0.000000       0.000000 
1 1 1 35 12 1  o 20.85162 6.809721 -4.714038      6.681408      -7.013672      9.153197      -2.415112      9.734127      19.44821 9.135021 22.25504 10.10152 -2.806835      13.61944 
1 1 1 35 12 2  o 57.78384 7.129999 39.39700       7.941744      28.02635       10.67637      50.76765       11.75322      47.92052 11.30845 67.64716 8.687146 -19.72664      14.26000 
1 1 1 35 12 3  o 37.47216 8.334776 17.54127       7.112856      22.93967       11.07310      12.14286       8.926493      42.61815 12.30473 32.32618 11.24578 10.29198       16.66955 
1 1 1 35 12 4  o 33.15901 8.257179 12.96467       6.884734      16.65570       10.40716      9.273635       9.018591      36.67429 12.16207 29.64374 11.17176 7.030550       16.51436 
1 1 1 35 12 5  o 27.40229 7.800019 5.859605       6.860647      12.12161       10.21588      -0.4009129     9.160281      32.23812 11.94122 22.56645 10.03835 9.671673       15.60004 
1 1 1 35 12 6  o 54.54930 7.216892 37.07328       7.608772      39.99210       11.57610      34.15446       9.882903      56.24655 10.67685 52.85205 9.712823 3.394501       14.43378 
1 1 1 35 12 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 12 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 12 9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 12 10 o 20.31541 6.437485 -0.6324349     5.538676      2.132440       7.219123      -3.397027      8.402238      21.29767 9.216807 19.33314 8.989735 1.964537       12.87497 
1 1 1 35 12 11 o 22.23917 6.959766 0.5335351      6.243586      -2.981873      8.912323      4.048802       8.742295      20.30054 9.369790 24.17781 10.29371 -3.877272      13.91953 
1 1 1 35 12 12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 12 13 o 20.41588 6.358133 0.9826226      5.103686      -2.050259      6.557429      4.016213       7.821308      17.77253 8.134870 23.05923 9.773808 -5.286707      12.71627 
1 1 1 35 12 14 o 21.34230 6.379410 2.117562       4.971206      -3.827765      6.458955      8.062181       7.559181      16.58128 7.767416 26.10332 10.12199 -9.522047      12.75882 
1 1 1 35 12 15 o 22.36336 6.653865 4.505045       5.083850      3.752669       6.385984      5.258129       7.913406      21.27980 8.916061 23.44693 9.879247 -2.167130      13.30773 
1 1 1 35 12 16 o 19.92179 6.243073 1.518212       4.980416      -1.680448      6.283967      4.716872       7.729208      17.17958 7.905216 22.66401 9.664958 -5.484426      12.48615 
1 1 1 35 12 17 f 47.39642 6.265813 29.49993       5.748378      23.35057       8.090520      35.64929       8.168448      40.62225 10.00983 54.17060 7.539560 -13.54835      12.53163 
1 1 1 35 12 18 o 44.50941 6.852503 28.64979       6.103312      19.74455       6.736668      37.54795       10.18045      38.07358 8.981632 50.94523 10.35169 -12.87165      13.70501 
1 1 1 35 12 19 o 21.88125 6.437259 4.968372       5.081016      -2.763670      6.570890      12.70254       7.750463      16.16521 7.636435 27.59729 10.36524 -11.43208      12.87452 
1 1 1 35 13 0  o 46.68687 13.87546 29.76206       11.25730      29.76206       11.25730      29.76206       11.25730      46.68687 13.87546 46.68687 13.87546 0.000000       0.000000 
1 1 1 35 13 1  o 35.22782 8.037766 14.73580       7.516674      27.02035       10.78972      2.447701       10.46383      45.49767 11.77100 24.95797 10.94834 20.53970       16.07553 
1 1 1 35 13 2  o 24.02854 7.348544 1.051342       6.979667      7.169532       8.820225      -5.068264      10.81806      26.66251 10.74485 21.39457 10.02759 5.267948       14.69709 
1 1 1 35 13 3  o 31.44144 9.872898 14.08402       12.44041      12.56793       17.26497      15.59302       17.91675      30.78615 13.73551 32.09673 14.18563 -1.310577      19.74580 
1 1 1 35 13 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 13 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 13 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 13 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 13 8  o 23.78989 7.079586 4.968372       5.912030      -1.023713      7.247461      10.95975       9.337394      18.97593 8.640521 28.60384 11.21711 -9.627914      14.15917 
1 1 1 35 13 9  o 34.79974 7.746145 15.74888       6.158571      15.69929       7.389152      15.79139       9.854564      35.30177 10.00663 34.29770 11.82702 1.004074       15.49229 
1 1 1 35 13 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 13 11 o 30.92764 7.899965 12.23496       6.886151      5.282216       10.18754      19.19196       9.266549      25.15704 10.91881 36.69824 11.42004 -11.54120      15.79993 
1 1 1 35 13 12 o 45.12027 6.275776 24.69663       5.503962      27.28956       7.027133      22.09661       8.473083      49.15447 7.148011 41.08608 10.31734 8.068390       12.55155 
1 1 1 35 13 13 o 22.92603 6.725240 4.552511       5.133441      5.515297       6.579392      3.589725       7.877984      23.27224 9.320853 22.57981 9.697272 0.6924286      13.45048 
1 1 1 35 13 14 o 25.18093 7.179993 7.431659       5.738459      7.438744       6.617648      7.424574       9.379901      24.77265 9.500977 25.58922 10.76757 -0.8165722     14.35999 
1 1 1 35 13 15 o 15.62789 5.321419 -6.220206      4.859979      -7.474166      6.191869      -4.969789      7.488335      14.27952 6.924695 16.97626 8.081993 -2.696737      10.64284 
1 1 1 35 13 16 f 33.48830 6.955029 16.01810       5.443035      21.42358       7.098687      10.60552       8.246379      40.04955 9.071379 26.92706 10.54513 13.12250       13.91006 
1 1 1 35 13 17 o 21.03824 6.588958 0.9861649      6.006963      -6.145820      9.025676      8.118857       7.927575      17.60960 8.503756 24.46688 10.06696 -6.857281      13.17792 
1 1 1 35 13 18 o 28.35204 7.257674 13.26222       5.401945      8.784801       6.906697      17.73255       8.310139      24.38860 9.622054 32.31549 10.86791 -7.926889      14.51535 
1 1 1 35 14 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 14 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 14 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 14 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 14 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 14 5  o 23.23045 7.129825 4.351311       6.463206      11.57610       9.592437      -2.872063      8.664365      27.64025 11.17785 18.82065 8.853999 8.819603       14.25965 
1 1 1 35 14 6  o 30.45734 7.640604 12.08619       5.863855      10.07418       7.729208      14.09111       8.820225      28.51158 10.40922 32.40311 11.18764 -3.891529      15.28121 
1 1 1 35 14 7  o 21.07927 6.534225 0.5196494      5.387776      -3.684657      7.098687      4.723957       8.104689      17.85382 8.286876 24.30472 10.10505 -6.450905      13.06845 
1 1 1 35 14 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 14 9  o 25.99628 8.250080 3.232665       9.195704      -5.302053      12.74505      11.76738       13.26222      22.16933 10.54931 29.82323 12.68729 -7.653902      16.50016 
1 1 1 35 14 10 o 26.87242 7.097578 8.643111       5.216331      9.804973       6.797595      7.481250       7.913406      27.90500 9.803405 25.83984 10.26624 2.065166       14.19516 
1 1 1 35 14 11 o 16.89632 5.676300 -5.747669      5.207120      -5.936118      7.899237      -5.559221      6.786260      17.53103 8.324583 16.26161 7.718993 1.269424       11.35260 
1 1 1 35 14 12 o 23.01583 6.161506 3.640025       4.616981      11.33523       6.407947      -4.058012      6.649529      29.42475 9.542218 16.60692 7.797609 12.81783       12.32301 
1 1 1 35 14 13 o 27.78556 6.188296 8.784801       4.715455      17.89549       6.738793      -0.3231249     6.597811      37.10178 9.131196 18.46933 8.354716 18.63245       12.37659 
1 1 1 35 14 14 o 17.29779 5.665802 -4.675073      5.025757      1.880231       6.462497      -11.22896      7.700871      19.63833 8.609483 14.95724 7.367636 4.681089       11.33160 
1 1 1 35 14 15 o 18.68927 5.909758 0.8643113      4.560304      2.067971       6.325057      -0.3391359     6.571599      19.36252 8.502802 18.01602 8.209951 1.346497       11.81952 
1 1 1 35 14 16 o 17.26245 5.665333 -1.670529      4.719706      -3.763296      6.587184      0.4225206      6.760046      16.06377 7.615540 18.46113 8.389729 -2.397352      11.33067 
1 1 1 35 14 17 o 22.61025 6.624417 6.079933       5.206412      12.58919       7.920490      -0.4269130     6.761464      27.59207 10.44873 17.62842 8.145892 9.963650       13.24883 
1 1 1 35 15 0  o 41.96269 11.28565 22.98217       8.168448      22.98217       8.168448      22.98217       8.168448      41.96269 11.28565 41.96269 11.28565 0.000000       0.000000 
1 1 1 35 15 1  o 40.23191 6.838381 20.43175       5.518131      25.01543       7.792970      15.84098       7.814223      45.57634 8.865712 34.88749 10.41407 10.68886       13.67676 
1 1 1 35 15 2  o 20.52379 6.421704 0.2840891      5.240418      2.113312       7.403321      -1.545133      7.417490      21.68637 9.358642 19.36121 8.795963 2.325163       12.84341 
1 1 1 35 15 3  o 24.77199 6.959637 5.663363       5.260254      8.345562       7.389152      2.981165       7.488335      27.07081 10.12999 22.47316 9.546182 4.597651       13.91927 
1 1 1 35 15 4  o 30.55443 7.351494 11.05185       5.780259      15.67804       7.559181      6.431325       8.749379      35.12640 10.17466 25.98246 10.61387 9.143944       14.70299 
1 1 1 35 15 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 15 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 15 7  o 22.08422 7.058135 0.4766463      6.710455      2.688574       9.486169      -1.734998      9.493254      23.21759 10.28389 20.95085 9.670097 2.266745       14.11627 
1 1 1 35 15 8  o 24.59274 6.889878 6.171323       5.144068      8.055097       6.843644      4.288259       7.679617      26.05483 9.749072 23.13066 9.738443 2.924166       13.77976 
1 1 1 35 15 9  o 24.70804 6.642273 5.784509       4.941452      10.94558       6.811056      0.6244294      7.162447      29.27740 9.838954 20.13868 8.926038 9.138720       13.28455 
1 1 1 35 15 10 o 30.00831 7.224666 11.99409       5.219872      12.09327       6.937868      11.89491       7.800055      30.26403 9.930129 29.75260 10.49646 0.5114346      14.44933 
1 1 1 35 15 11 o 17.05965 5.610106 -3.444493      4.727499      -0.3507545     6.402279      -6.538302      6.958413      18.29009 8.254110 15.82920 7.600183 2.460891       11.22021 
1 1 1 35 15 12 o 36.63271 6.560870 17.87424       5.170990      24.17237       6.809639      11.57610       7.785885      44.51753 7.933171 28.74789 10.45203 15.76963       13.12174 
1 1 1 35 15 13 o 25.24506 6.931257 8.083434       5.145485      10.03168       6.820973      6.142985       7.707955      26.98445 9.785689 23.50567 9.818839 3.478781       13.86251 
1 1 1 35 15 14 o 22.97913 6.672822 6.334976       4.930116      4.961997       6.411489      7.707955       7.495420      21.64803 8.993312 24.31024 9.860352 -2.662203      13.34564 
1 1 1 35 15 15 o 40.45968 6.420406 22.37291       5.075349      23.83232       7.169532      20.91350       7.183701      42.23337 8.779658 38.68599 9.370382 3.547379       12.84081 
1 1 1 35 15 16 o 31.15152 6.993308 15.16087       5.008754      17.54835       6.901738      12.78047       7.261631      34.15611 9.667466 28.14692 10.10769 6.009188       13.98662 
1 1 1 35 16 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 16 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 16 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 35 16 3  o 22.14513 6.905977 1.221371       6.173449      -3.433157      8.905238      5.875899       8.551013      19.60902 9.170798 24.68123 10.32795 -5.072212      13.81195 
1 1 1 35 16 4  o 34.39063 7.108574 15.66387       5.214205      17.09494       7.396237      14.23280       7.346645      36.08783 9.937435 32.69342 10.16733 3.394409       14.21715 
1 1 1 35 16 5  o 18.75876 5.960480 -0.6296719     4.705537      0.5104395      6.665823      -1.769713      6.643153      19.49120 8.628599 18.02632 8.225362 1.464880       11.92096 
1 1 1 35 16 6  o 29.84800 6.383676 10.58427       4.860687      1.797342       6.563097      19.36907       7.169532      20.34299 8.795646 39.35301 9.254291 -19.01001      12.76735 
1 1 1 35 16 7  o 17.08166 5.662466 -4.282591      4.906028      -2.928740      6.717540      -5.636442      7.155363      17.45908 8.087386 16.70423 7.927690 0.7548485      11.32493 
1 1 1 35 16 8  o 15.48619 5.287923 -8.005506      4.952078      -11.23604      6.565931      -4.781341      7.417490      13.68353 6.739264 17.28885 8.150511 -3.605322      10.57585 
1 1 1 35 16 9  o 22.79417 6.749177 4.862104       5.183033      3.213537       6.751545      6.511380       7.863815      21.15662 9.027932 24.43172 10.03504 -3.275099      13.49835 
1 1 1 35 16 10 o 50.80122 6.246625 32.36208       6.179117      31.15771       9.068183      33.55936       8.395153      48.74840 9.644101 52.85405 7.941825 -4.105656      12.49325 
1 1 1 35 16 11 o 22.29671 6.506907 4.257087       4.991043      -1.371563      6.616940      9.882903       7.474166      17.70987 8.133548 26.88354 10.15897 -9.173670      13.01381 
1 1 1 35 16 12 o 20.22860 6.352919 2.151568       5.161780      2.140233       6.753671      2.162195       7.807138      19.82376 8.742094 20.63344 9.220310 -0.8096714     12.70584 
1 1 1 35 16 13 o 36.81383 7.332877 20.33965       6.042386      22.75547       7.073891      17.92383       9.797889      41.38201 8.809748 32.24565 11.72487 9.136356       14.66575 
1 1 1 35 16 14 o 20.40238 6.356871 3.222039       5.090934      0.3230540      6.632525      6.121732       7.722124      18.15114 8.265196 22.65361 9.660527 -4.502466      12.71374 
1 1 1 35 16 15 o 46.50344 6.455235 30.46342       5.878733      30.18713       7.658363      30.73972       8.919409      48.01197 7.975472 44.99490 10.15244 3.017071       12.91047 
1 1 1 35 17 0  f 54.34617 7.276073 32.97843       7.686701      32.97843       7.686701      32.97843       7.686701      54.34617 7.276073 54.34617 7.276073 0.000000       0.000000 
1 1 1 35 17 1  o 18.21924 5.861582 -1.608186      4.716164      0.1253960      6.802555      -3.341059      6.533343      19.41397 8.642860 17.02450 7.920451 2.389471       11.72316 
1 1 1 35 17 2  o 16.96567 5.633696 -4.432783      4.878399      -5.531591      6.952746      -3.334682      6.845770      16.50228 7.823697 17.42906 8.108260 -0.9267769     11.26739 
1 1 1 35 17 3  o 39.64016 6.550216 19.95709       5.172406      24.76039       7.360813      15.16087       7.268716      45.31497 8.436612 33.96534 10.02222 11.34962       13.10043 
1 1 1 35 17 4  o 28.36169 6.260305 8.621859       4.954912      19.25572       7.268716      -2.007044      6.736668      38.79891 9.443137 17.92447 8.221487 20.87444       12.52061 
1 1 1 35 17 5  o 28.21633 6.971848 10.27255       4.990335      6.587184       6.857105      13.94941       7.254546      24.29504 9.586719 32.13762 10.12529 -7.842579      13.94370 
1 1 1 35 17 6  o 25.47590 6.467210 6.873399       4.801886      -0.3582641     6.656613      14.10528       6.921574      18.60633 8.405585 32.34548 9.830837 -13.73915      12.93442 
1 1 1 35 17 7  o 23.57323 6.637074 5.863147       4.829516      8.749379       6.766423      2.976206       6.893944      26.12466 9.710007 21.02179 9.050900 5.102875       13.27415 
1 1 1 35 17 8  f 41.26940 6.490071 22.13203       5.224832      21.14020       7.318307      23.12387       7.459997      40.20314 9.282558 42.33566 9.072936 -2.132515      12.98014 
1 1 1 35 17 9  o 40.61959 6.398998 21.74947       5.105812      26.22688       7.325392      17.27914       7.112856      45.79769 8.303127 35.44149 9.738933 10.35620       12.79800 
1 1 1 35 17 10 o 19.16487 5.990997 0.2065845      4.777090      5.855353       6.896070      -5.442327      6.613398      22.78823 9.384916 15.54150 7.449264 7.246724       11.98199 
1 1 1 35 17 11 o 17.00635 5.611864 -2.269171      4.719706      -4.140193      6.402987      -0.3990000     6.935034      15.74599 7.485416 18.26672 8.363050 -2.520734      11.22373 
1 1 1 35 17 12 o 35.40087 6.920959 18.83065       5.362980      11.31397       6.964081      26.34732       8.161365      27.53869 9.897533 43.26304 9.676650 -15.72435      13.84192 
1 1 1 35 17 13 o 21.99874 6.734779 4.878399       5.798677      7.105771       6.832309      2.649610       9.372816      22.97589 9.381406 21.02159 9.665310 1.954302       13.46956 
1 1 1 35 18 0  o 57.00554 6.804993 36.08145       7.573349      36.08145       7.573349      36.08145       7.573349      57.00554 6.804993 57.00554 6.804993 0.000000       0.000000 
1 1 1 35 18 1  o 21.85130 6.428988 3.863188       4.779924      0.4641067      6.604896      7.261631       6.910948      19.01882 8.490238 24.68378 9.656260 -5.664955      12.85798 
1 1 1 35 18 2  o 31.83833 6.838820 13.72271       4.986792      18.77397       7.226208      8.671450       6.871274      37.61868 9.577125 26.05797 9.765068 11.56071       13.67764 
1 1 1 35 18 3  o 25.80861 6.888172 8.373900       4.933658      10.62678       7.063264      6.122441       6.891110      28.04789 9.978966 23.56932 9.497785 4.478565       13.77634 
1 1 1 35 18 4  o 20.69187 6.342145 2.568846       4.878399      4.066513       7.054762      1.070471       6.740210      21.89928 9.282350 19.48447 8.644606 2.414812       12.68429 
1 1 1 35 18 5  o 30.54441 7.030692 12.94341       4.924448      13.41099       6.992419      12.48292       6.935743      31.07080 9.957180 30.01802 9.928600 1.052778       14.06138 
1 1 1 35 18 6  o 18.91143 5.883903 -1.272379      4.757962      6.410071       6.848603      -8.954830      6.606313      23.54370 9.476314 14.27916 6.977156 9.264545       11.76781 
1 1 1 35 18 7  o 24.71740 6.787822 7.665448       4.947828      4.376107       6.842227      10.95975       7.148279      21.64015 9.155414 27.79465 10.02380 -6.154495      13.57564 
1 1 1 35 18 8  o 37.60034 6.739419 19.65245       5.113605      22.40125       7.254546      16.90366       7.212039      40.92083 9.102342 34.27985 9.941148 6.640980       13.47884 
1 1 1 35 18 9  o 21.20501 6.375354 4.048093       4.823848      1.819304       6.952746      6.276883       6.689201      19.58983 8.728970 22.82020 9.294389 -3.230371      12.75071 
1 1 1 35 18 10 o 15.20329 5.167828 -5.986417      4.637525      -2.442742      6.548929      -9.528677      6.569473      16.62449 7.793685 13.78208 6.788538 2.842411       10.33566 
1 1 1 35 18 11 o 28.22748 7.059214 12.41208       5.023631      10.35048       6.988877      14.47367       7.219123      26.09995 9.834904 30.35501 10.12940 -4.255062      14.11843 
1 1 1 35 18 12 o 36.43222 7.298213 21.32440       5.570556      19.93583       7.417490      22.70588       8.310139      35.70356 9.995437 37.16088 10.63705 -1.457325      14.59643 
1 1 1 35 19 0  o 16.42804 10.43434 3.505419       7.261631      3.505419       7.261631      3.505419       7.261631      16.42804 10.43434 16.42804 10.43434 0.000000       0.000000 
1 1 1 35 19 1  o 16.95317 5.599468 -4.642484      4.898236      2.250751       7.083809      -11.53359      6.766423      20.29282 8.950523 13.61352 6.730846 6.679296       11.19894 
1 1 1 35 19 2  o 16.95129 5.580223 -4.355562      4.808262      2.778548       7.032093      -11.49109      6.558846      20.57347 9.000429 13.32912 6.599076 7.244348       11.16045 
1 1 1 35 19 3  o 25.45827 6.741198 8.182618       4.969081      13.32598       7.112856      3.043509       6.938577      30.29187 10.05457 20.62469 8.982241 9.667181       13.48240 
1 1 1 35 19 4  o 27.13836 7.013752 10.50634       5.017255      12.68837       7.254546      8.324308       6.932201      29.34691 10.14488 24.92982 9.687735 4.417091       14.02750 
1 1 1 35 19 5  o 22.37825 6.543351 5.566306       4.799760      7.155363       6.844352      3.975831       6.731709      23.73698 9.506811 21.01951 8.993458 2.717466       13.08670 
1 1 1 35 19 6  o 31.58950 7.068336 14.74997       5.027883      15.85515       7.015798      13.64478       7.204955      32.99829 9.871276 30.18072 10.11946 2.817564       14.13667 
1 1 1 35 19 7  o 24.20560 6.966589 7.892153       5.311971      5.912738       7.091603      9.861650       7.913406      22.51473 9.412344 25.89646 10.27333 -3.381733      13.93318 
1 1 1 35 19 8  o 17.25459 5.657228 -2.542633      4.833058      -7.984251      6.793344      2.897568       6.876941      14.51406 7.088063 19.99512 8.819087 -5.481064      11.31446 
1 1 1 35 19 9  o 38.35215 6.932250 22.93967       5.650611      32.69505       8.891070      13.18429       6.977541      47.73998 9.649570 28.96432 9.955408 18.77567       13.86450 
1 1 1 35 19 10 o 15.84898 5.374584 -4.529841      4.915947      -0.3866730     7.105771      -8.671450      6.794761      17.68413 8.240007 14.01384 6.902673 3.670294       10.74917 
1 1 1 35 20 0  o 16.63685 10.43163 4.248586       7.014381      4.248586       7.014381      4.248586       7.014381      16.63685 10.43163 16.63685 10.43163 0.000000       0.000000 
1 1 1 35 20 1  o 27.31667 7.268188 11.42024       5.435242      8.728126       7.119940      14.11236       8.218040      24.94005 9.791649 29.69329 10.74383 -4.753239      14.53638 
1 1 1 35 20 2  o 56.36495 5.044468 38.45476       5.681783      40.82808       8.133026      36.08853       7.934660      58.32149 6.972582 54.40842 7.291758 3.913067       10.08894 
1 1 1 35 20 3  o 29.53378 7.125844 13.31889       5.085975      15.09002       7.261631      11.54776       7.119940      31.43718 10.15432 27.63038 10.00002 3.806797       14.25169 
1 1 1 35 20 4  o 40.95848 6.534301 23.37182       5.236167      21.01976       7.367898      25.72388       7.445828      38.23378 9.632967 43.68319 8.831439 -5.449406      13.06860 
1 1 1 35 20 5  o 19.41672 6.082252 1.197992       4.936492      7.339560       7.247461      -4.941452      6.707621      23.32357 9.615861 15.50987 7.450528 7.813703       12.16450 
1 1 1 35 20 6  o 15.26187 5.227235 -6.103312      4.949244      -6.298845      6.866314      -5.908488      7.127024      15.04587 7.295002 15.47787 7.488585 -0.4319954     10.45447 
1 1 1 35 20 7  o 39.62333 6.302176 23.44267       5.367939      12.48292       7.459997      34.39534       7.715039      27.29292 10.18530 51.95374 7.424914 -24.66082      12.60435 
1 1 1 35 21 0  f 11.25588 7.990967 -4.684283      6.978959      -4.684283      6.978959      -4.684283      6.978959      11.25588 7.990967 11.25588 7.990967 0.000000       0.000000 
1 1 1 35 21 1  o 39.24800 6.871911 23.32223       5.372899      23.66937       7.679617      22.97509       7.516674      39.48095 9.766919 39.01505 9.669536 0.4658928      13.74382 
1 1 1 35 21 2  o 19.28230 6.177570 2.400943       5.168156      3.064762       7.204955      1.737124       7.410406      19.60119 8.805720 18.96340 8.666533 0.6377926      12.35514 
1 1 1 36 0  0  o 26.25397 13.52565 10.72596       8.990252      10.72596       8.990252      10.72596       8.990252      26.25397 13.52565 26.25397 13.52565 0.000000       0.000000 
1 1 1 36 0  1  o 76.49992 4.889042 60.04129       7.417490      60.04129       7.417490      60.04129       7.417490      76.49992 4.889042 76.49992 4.889042 0.000000       0.000000 
1 1 1 36 0  2  o 17.56169 10.14450 4.398777       5.654153      4.398777       5.654153      4.398777       5.654153      17.56169 10.14450 17.56169 10.14450 0.000000       0.000000 
1 1 1 36 0  3  o 48.48719 6.691175 24.77456       6.359772      24.77456       6.359772      24.77456       6.359772      48.48719 6.691175 48.48719 6.691175 0.000000       0.000000 
1 1 1 36 0  4  o 65.54324 5.330960 44.54745       6.898195      44.54745       6.898195      44.54745       6.898195      65.54324 5.330960 65.54324 5.330960 0.000000       0.000000 
1 1 1 36 0  5  o 61.55066 5.836803 39.72289       7.065390      39.72289       7.065390      39.72289       7.065390      61.55066 5.836803 61.55066 5.836803 0.000000       0.000000 
1 1 1 36 0  6  o 18.97293 10.73273 5.502545       6.176991      5.502545       6.176991      5.502545       6.176991      18.97293 10.73273 18.97293 10.73273 0.000000       0.000000 
1 1 1 36 0  7  f 14.61587 9.335407 1.404151       5.884400      1.404151       5.884400      1.404151       5.884400      14.61587 9.335407 14.61587 9.335407 0.000000       0.000000 
1 1 1 36 0  8  o 21.02120 11.14378 7.176617       6.228708      7.176617       6.228708      7.176617       6.228708      21.02120 11.14378 21.02120 11.14378 0.000000       0.000000 
1 1 1 36 0  9  o 24.05259 11.97404 9.450747       6.923699      9.450747       6.923699      9.450747       6.923699      24.05259 11.97404 24.05259 11.97404 0.000000       0.000000 
1 1 1 36 0  10 o 22.87427 12.02864 8.572267       7.212039      8.572267       7.212039      8.572267       7.212039      22.87427 12.02864 22.87427 12.02864 0.000000       0.000000 
1 1 1 36 0  11 o 58.06275 7.848974 37.65421       8.855647      37.65421       8.855647      37.65421       8.855647      58.06275 7.848974 58.06275 7.848974 0.000000       0.000000 
1 1 1 36 0  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 0  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 0  14 o 9.861384 7.152789 -10.81097      6.949912      -10.81097      6.949912      -10.81097      6.949912      9.861384 7.152789 9.861384 7.152789 0.000000       0.000000 
1 1 1 36 0  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 0  16 o 15.05085 9.835889 1.173196       7.029259      1.173196       7.029259      1.173196       7.029259      15.05085 9.835889 15.05085 9.835889 0.000000       0.000000 
1 1 1 36 0  17 o 20.80865 11.49550 7.707955       6.867732      7.707955       6.867732      7.707955       6.867732      20.80865 11.49550 20.80865 11.49550 0.000000       0.000000 
1 1 1 36 0  18 o 10.42813 7.476904 -6.922283      6.550345      -6.922283      6.550345      -6.922283      6.550345      10.42813 7.476904 10.42813 7.476904 0.000000       0.000000 
1 1 1 36 0  19 o 28.06318 13.33765 14.82790       8.465999      14.82790       8.465999      14.82790       8.465999      28.06318 13.33765 28.06318 13.33765 0.000000       0.000000 
1 1 1 36 0  20 o 33.61255 10.86238 16.40774       6.429908      16.40774       6.429908      16.40774       6.429908      33.61255 10.86238 33.61255 10.86238 0.000000       0.000000 
1 1 1 36 0  21 o 12.68634 8.606847 -0.4657362     6.271924      -0.4657362     6.271924      -0.4657362     6.271924      12.68634 8.606847 12.68634 8.606847 0.000000       0.000000 
1 1 1 36 1  0  o 53.07819 6.503816 30.08795       6.733126      30.08795       6.733126      30.08795       6.733126      53.07819 6.503816 53.07819 6.503816 0.000000       0.000000 
1 1 1 36 1  1  o 30.46036 6.280759 10.33631       4.250002      6.188326       5.817806      14.48784       6.197536      25.08609 9.043369 35.83464 8.718326 -10.74855      12.56152 
1 1 1 36 1  2  o 23.33595 6.311370 4.335725       4.217413      6.605605       5.879441      2.065137       6.048053      25.60214 9.104834 21.06975 8.742743 4.532393       12.62274 
1 1 1 36 1  3  o 21.91715 6.200486 3.181657       4.150819      2.055219       5.970123      4.308804       5.768215      20.94141 8.687659 22.89290 8.849219 -1.951490      12.40097 
1 1 1 36 1  4  o 21.55028 6.061258 2.872772       4.031799      0.2672988      5.703037      5.477749       5.700203      19.00680 8.208266 24.09376 8.920750 -5.086956      12.12252 
1 1 1 36 1  5  o 30.29289 6.003743 9.790804       4.394526      17.64045       6.302387      1.940449       6.126691      39.65163 8.223081 20.93414 8.749895 18.71749       12.00749 
1 1 1 36 1  6  o 60.78960 4.038855 38.90108       4.901069      44.81666       7.233293      32.99260       6.611980      65.52509 5.519484 56.05411 5.897855 9.470985       8.077710 
1 1 1 36 1  7  o 19.48614 5.947391 0.5972249      4.231582      0.9691621      5.955954      0.2253585      6.012630      19.74030 8.453199 19.23198 8.368346 0.5083179      11.89478 
1 1 1 36 1  8  o 29.96661 6.708724 10.40716       4.523465      11.68946       6.551054      9.124859       6.238626      31.56528 9.558187 28.36794 9.416420 3.197336       13.41745 
1 1 1 36 1  9  o 20.66677 6.223893 0.7977167      4.650278      -1.812220      6.915198      3.406945       6.220206      19.11465 8.604864 22.21888 8.994647 -3.104225      12.44779 
1 1 1 36 1  10 o 19.40250 6.140006 -2.213912      5.031425      1.387149       7.162447      -5.814264      7.067515      21.64105 9.268622 17.16396 8.055514 4.477091       12.28001 
1 1 1 36 1  11 o 31.82874 7.863075 13.35432       6.203912      12.08619       7.927575      14.61536       9.542846      30.72744 10.60668 32.93004 11.61077 -2.202599      15.72615 
1 1 1 36 1  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 1  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 1  14 o 34.89460 7.023183 15.34507       5.241835      18.94400       7.552096      11.75322       7.268716      39.08978 9.694883 30.69942 10.16413 8.390354       14.04637 
1 1 1 36 1  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 1  16 o 22.35998 6.777182 3.229123       5.445160      3.421114       8.416408      3.037841       6.915198      23.10729 9.975219 21.61267 9.176916 1.494623       13.55436 
1 1 1 36 1  17 o 27.41339 7.242377 9.025676       5.666197      12.07910       7.112856      5.970831       8.820225      30.09045 10.05457 24.73632 10.42659 5.354136       14.48475 
1 1 1 36 1  18 o 32.16055 6.197778 12.02243       5.358729      22.54293       6.543969      1.504751       8.487252      43.05116 7.894773 21.26993 9.556273 21.78123       12.39556 
1 1 1 36 1  19 o 25.42249 6.881962 8.862731       5.044177      3.953161       5.939660      13.77230       8.154280      20.69099 8.629652 30.15399 10.72263 -9.462997      13.76392 
1 1 1 36 1  20 o 17.28519 5.527026 -1.348184      4.373273      2.575931       5.433825      -5.272298      6.854271      18.82220 8.067577 15.74818 7.556867 3.074016       11.05405 
1 1 1 36 1  21 o 18.82682 5.971422 1.589766       4.737417      -2.051677      6.292469      5.231208       7.083809      16.25396 7.623487 21.39968 9.193149 -5.145721      11.94284 
1 1 1 36 2  0  o 48.97628 6.999038 25.47593       6.645278      25.47593       6.645278      25.47593       6.645278      48.97628 6.999038 48.97628 6.999038 0.000000       0.000000 
1 1 1 36 2  1  o 52.82042 4.501367 29.32282       4.723957      26.03560       6.753671      32.61003       6.607021      49.68121 6.797007 55.95963 5.903382 -6.278416      9.002734 
1 1 1 36 2  2  o 24.71606 6.252613 5.454370       4.184825      1.212161       5.779550      9.698705       6.053721      19.94398 8.424970 29.48814 9.241241 -9.544167      12.50523 
1 1 1 36 2  3  o 28.01451 6.370151 8.388069       4.215288      11.56193       5.891485      5.209954       6.029633      31.93631 8.897504 24.09271 9.118648 7.843603       12.74030 
1 1 1 36 2  4  o 26.03800 6.443458 6.962664       4.194035      8.791886       5.943910      5.134150       5.917697      28.21488 9.191319 23.86113 9.032845 4.353746       12.88692 
1 1 1 36 2  5  o 21.84767 5.837981 1.565678       4.174198      9.209873       6.023257      -6.081350      5.780967      28.66764 9.246872 15.02770 7.129056 13.63995       11.67596 
1 1 1 36 2  6  o 20.31580 5.990273 1.077555       4.242918      -2.461870      6.085601      4.617689       5.914155      17.50871 7.957782 23.12290 8.955845 -5.614187      11.98055 
1 1 1 36 2  7  o 16.93729 5.557148 -4.724665      4.583683      -7.665448      6.706913      -1.787424      6.249961      15.73761 7.533252 18.13697 8.171761 -2.399357      11.11430 
1 1 1 36 2  8  o 35.03793 6.728551 14.47367       4.884775      12.78047       7.183701      16.16687       6.623316      32.80056 10.02446 37.27530 8.977962 -4.474735      13.45710 
1 1 1 36 2  9  o 35.09356 5.926976 14.23988       4.820306      24.97293       7.417490      3.506836       6.159280      47.91349 7.740503 22.27362 8.977794 25.63987       11.85395 
1 1 1 36 2  10 f 34.33800 6.713404 13.81481       5.168156      6.579392       7.059014      21.05519       7.552096      25.99847 9.858604 42.67753 9.115213 -16.67905      13.42681 
1 1 1 36 2  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 2  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 2  13 o 38.46769 7.641829 22.85465       6.315848      20.25464       9.606606      25.45467       8.203872      34.52335 11.68496 42.41204 9.851495 -7.888687      15.28366 
1 1 1 36 2  14 o 40.91034 6.957863 20.92058       5.671157      17.25080       7.991336      24.59036       8.048012      36.70770 10.40679 45.11298 9.238296 -8.405285      13.91573 
1 1 1 36 2  15 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 2  16 o 36.66092 7.279500 18.12220       5.687451      13.04968       6.354813      23.19471       9.436578      32.09941 9.339046 41.22242 11.16901 -9.123009      14.55900 
1 1 1 36 2  17 o 27.19536 6.967273 5.236876       6.865606      12.93633       5.991377      -2.465412      12.35540      31.75891 9.013243 22.63181 10.62700 9.127094       13.93455 
1 1 1 36 2  18 o 14.31229 5.010639 -9.748297      4.991043      -10.71179      5.427449      -8.777717      8.380984      12.00479 5.956975 16.61979 8.058564 -4.614999      10.02128 
1 1 1 36 2  19 o 17.08447 5.693963 -3.428198      5.001670      -8.742295      6.102604      1.882357       7.927575      13.57461 6.649877 20.59433 9.244673 -7.019718      11.38793 
1 1 1 36 2  20 o 20.91570 6.404587 3.632232       5.078182      -1.924863      6.165656      9.188620       8.069265      16.50341 7.684326 25.32799 10.24822 -8.824579      12.80917 
1 1 1 36 2  21 o 18.01905 5.810628 0.6739502      4.673656      0.5141943      6.353395      0.8338477      6.857105      17.71254 8.071883 18.32557 8.360520 -0.6130257     11.62126 
1 1 1 36 3  0  o 18.87576 10.54494 5.410447       5.868106      5.410447       5.868106      5.410447       5.868106      18.87576 10.54494 18.87576 10.54494 0.000000       0.000000 
1 1 1 36 3  1  o 29.82335 6.659398 9.960832       4.445535      10.81806       6.483042      9.103605       6.084183      30.92791 9.537556 28.71880 9.296524 2.209106       13.31880 
1 1 1 36 3  2  o 32.25311 6.339046 11.80989       4.287550      13.99192       6.038843      9.620775       6.088435      35.16035 8.638182 29.34588 9.279863 5.814465       12.67809 
1 1 1 36 3  3  o 28.74910 6.277369 8.876901       4.299594      3.712996       5.928325      14.04860       6.229416      22.39517 8.889525 35.10303 8.865540 -12.70786      12.55474 
1 1 1 36 3  4  o 48.62156 4.712083 25.06503       4.584392      26.25522       6.668657      23.87483       6.293177      49.76148 6.700622 47.48164 6.626958 2.279835       9.424167 
1 1 1 36 3  5  o 73.13306 3.527541 55.39384       5.156821      56.71157       7.240376      54.07613       7.346645      74.05289 4.888653 72.21321 5.086773 1.839684       7.055082 
1 1 1 36 3  6  o 30.10867 6.692749 10.54885       4.632566      14.57994       7.176617      6.519882       5.862438      35.05682 9.837460 25.16052 9.077220 9.896307       13.38550 
1 1 1 36 3  7  o 68.05070 4.059841 48.88317       5.548594      54.86250       8.430575      42.91093       7.212039      72.16737 5.840989 63.93402 5.640220 8.233349       8.119681 
1 1 1 36 3  8  o 58.11933 4.610217 36.07436       5.369356      39.68747       7.998421      32.45417       7.162447      61.02188 6.553732 55.21678 6.485753 5.805096       9.220433 
1 1 1 36 3  9  o 40.66933 6.277623 19.29114       5.219872      27.94134       7.587519      10.64095       7.176617      50.86291 7.458794 30.47574 10.09953 20.38717       12.55525 
1 1 1 36 3  10 o 39.92931 6.345757 18.92275       5.518839      30.56969       7.885069      7.282885       7.722124      52.95866 7.444551 26.89995 10.27878 26.05871       12.69151 
1 1 1 36 3  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 3  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 3  13 o 24.20784 7.027839 5.644236       5.722165      7.028550       6.531926      4.259212       9.394071      24.56038 9.433547 23.85530 10.41971 0.7050800      14.05568 
1 1 1 36 3  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 3  15 o 31.11499 7.778300 13.44641       6.204620      8.012589       7.877984      18.88024       9.592437      26.11821 10.28526 36.11178 11.67139 -9.993567      15.55660 
1 1 1 36 3  16 o 56.25735 5.516886 36.55611       6.206038      35.11087       7.339560      38.00135       10.01042      56.28457 6.520047 56.23014 8.901298 0.5443192E-01  11.03377 
1 1 1 36 3  17 o 23.77730 7.364606 3.487000       7.587519      5.236167       6.415030      1.738541       13.75813      22.69769 9.156677 24.85691 11.53711 -2.159222      14.72921 
1 1 1 36 3  18 o 22.28511 6.476207 2.862854       5.320473      -8.607689      5.989960      14.33198       8.791886      13.57982 6.637360 30.99040 11.12252 -17.41058      12.95241 
1 1 1 36 3  19 o 17.07717 5.693155 -2.886941      4.981833      -6.758630      5.983583      0.9847480      7.962997      14.10994 6.832795 20.04439 9.108292 -5.934445      11.38631 
1 1 1 36 3  20 o 26.92920 6.950862 10.78264       5.229083      3.472122       6.386693      18.09386       8.281801      20.18935 8.702237 33.66905 10.84108 -13.47971      13.90172 
1 1 1 36 3  21 o 21.91157 6.612159 6.395194       5.170990      2.296801       6.152195      10.49217       8.310139      18.61229 8.258127 25.21086 10.32889 -6.598568      13.22432 
1 1 1 36 4  0  o 10.94878 7.656513 -4.563846      5.878733      -4.563846      5.878733      -4.563846      5.878733      10.94878 7.656513 10.94878 7.656513 0.000000       0.000000 
1 1 1 36 4  1  o 16.61365 5.372422 -4.132399      4.152944      -0.1112269     5.767506      -8.154280      5.977208      18.78354 8.184735 14.44376 6.961451 4.339785       10.74484 
1 1 1 36 4  2  o 28.86122 6.141563 8.940661       4.232291      14.68620       6.123149      3.198660       5.843310      35.95857 8.614388 21.76387 8.756000 14.19470       12.28313 
1 1 1 36 4  3  f 62.87447 3.949604 41.38775       4.942868      46.99161       7.119940      35.78390       6.858521      67.28145 5.291162 58.46749 5.865244 8.813961       7.899208 
1 1 1 36 4  4  o 29.86932 6.641835 10.13086       4.494419      7.984251       6.361189      12.27747       6.351271      27.20001 9.490363 32.53863 9.294563 -5.338623      13.28367 
1 1 1 36 4  5  o 42.92166 5.740080 20.76472       4.846519      25.45467       7.346645      16.08185       6.320098      48.40232 7.589147 37.44100 8.613879 10.96132       11.48016 
1 1 1 36 4  6  o 25.26648 6.240075 4.693493       4.631858      -2.814679      6.762172      12.19954       6.332142      18.25701 8.322020 32.27596 9.300437 -14.01895      12.48015 
1 1 1 36 4  7  o 75.38397 3.852477 59.46036       5.812847      60.47345       8.650196      58.44727       7.764632      75.86820 5.700805 74.89973 5.183351 0.9684677      7.704954 
1 1 1 36 4  8  o 27.65187 7.046170 8.076350       5.039926      9.840395       7.098687      6.307346       7.155363      29.49991 10.04457 25.80382 9.884368 3.696093       14.09234 
1 1 1 36 4  9  o 26.65629 7.098407 7.017214       5.173115      8.338477       7.474166      5.698786       7.155363      28.05851 10.23680 25.25407 9.836532 2.804441       14.19681 
1 1 1 36 4  10 o 51.44691 6.642116 31.56153       6.565223      33.43184       7.644195      29.69122       10.67637      55.12252 6.933822 47.77131 11.33106 7.351215       13.28423 
1 1 1 36 4  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 4  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 4  13 o 25.46965 7.261021 6.186910       5.866689      1.072596       7.438744      11.29981       9.075267      20.96891 9.214551 29.97039 11.22416 -9.001478      14.52204 
1 1 1 36 4  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 4  15 o 23.00898 7.012269 3.200785       5.990668      5.171698       7.700871      1.229872       9.181536      23.76720 9.863861 22.25076 9.969549 1.516438       14.02454 
1 1 1 36 4  16 o 23.13090 6.846334 4.522048       5.457204      4.399486       6.057263      4.644610       9.082352      22.00009 8.888412 24.26171 10.41563 -2.261620      13.69267 
1 1 1 36 4  17 o 15.32947 5.294491 -8.820225      5.183742      -11.08019      6.359772      -6.560264      8.189702      13.35425 6.583975 17.30469 8.293238 -3.950443      10.58898 
1 1 1 36 4  18 o 24.65295 9.251643 7.651280       6.172032      7.651280       6.172032      ?              ?             24.65295 9.251643 ?        ?        ?              ?        
1 1 1 36 4  19 o 22.52913 6.687377 4.490167       5.526632      7.785885       6.550345      1.195158       8.905238      24.30180 9.422598 20.75645 9.492032 3.545347       13.37475 
1 1 1 36 4  20 o 16.50706 5.576836 -4.655237      5.313388      -2.934407      6.304513      -6.376066      8.558097      16.03494 7.546138 16.97918 8.213415 -0.9442406     11.15367 
1 1 1 36 4  21 o 21.12898 6.414267 3.484874       5.473498      9.124859       6.711873      -2.152277      8.650196      24.23064 9.508560 18.02732 8.611536 6.203325       12.82853 
1 1 1 36 5  0  o 17.76328 10.43783 4.417197       6.152195      4.417197       6.152195      4.417197       6.152195      17.76328 10.43783 17.76328 10.43783 0.000000       0.000000 
1 1 1 36 5  1  o 31.43438 6.561020 11.32814       4.463954      13.28347       6.217373      9.372816       6.407947      33.95240 9.006237 28.91635 9.543356 5.036051       13.12204 
1 1 1 36 5  2  o 16.61048 5.425564 -3.902152      4.256378      -2.318054      6.051595      -5.485542      5.987126      17.57239 7.972400 15.64858 7.361237 1.923805       10.85113 
1 1 1 36 5  3  o 19.78021 6.009851 -1.336848      4.658779      -7.134109      6.826642      4.463246       6.340643      16.18826 7.711500 23.37216 9.219870 -7.183899      12.01970 
1 1 1 36 5  4  o 33.43549 5.858981 11.56193       5.085267      -1.183823      7.052638      24.30698       7.325392      19.67822 8.779254 47.19276 7.761140 -27.51453      11.71796 
1 1 1 36 5  5  o 25.23568 6.658691 5.239001       4.902486      10.64095       6.920157      -0.1647859     6.946370      30.28180 9.917446 20.18955 8.888022 10.09226       13.31738 
1 1 1 36 5  6  o 32.27926 7.185620 11.68946       5.625107      6.233667       8.473083      17.14453       7.403321      26.55215 10.59981 38.00638 9.704464 -11.45423      14.37124 
1 1 1 36 5  7  o 25.20660 7.304719 3.878065       6.078516      7.467082       8.175533      0.2855061      8.997337      27.49902 10.55631 22.91419 10.09951 4.584824       14.60944 
1 1 1 36 5  8  o 46.69176 6.845296 25.59636       6.245002      20.81431       7.764632      30.37841       9.783719      42.34518 9.415009 51.03833 9.939314 -8.693157      13.69059 
1 1 1 36 5  9  o 37.82595 7.814518 17.53418       6.617648      21.64320       8.373900      13.41808       10.24421      42.43363 10.01604 33.21828 11.99774 9.215351       15.62904 
1 1 1 36 5  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 5  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 5  12 o 27.25074 8.217489 12.51834       8.111773      6.372524       7.743378      18.66062       14.26113      23.51163 9.832644 30.98985 13.16919 -7.478216      16.43498 
1 1 1 36 5  13 f 27.31774 7.470709 7.934660       6.019715      9.394071       7.233293      6.467456       9.627860      28.10314 10.08835 26.53234 11.02139 1.570803       14.94142 
1 1 1 36 5  14 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 5  15 o 21.08825 6.659734 0.5006629      5.777424      -3.317680      7.410406      4.319431       8.869816      18.16239 8.444243 24.01410 10.30063 -5.851717      13.31947 
1 1 1 36 5  16 o 25.19146 7.064650 7.424574       5.363688      5.749086       6.123857      9.096521       8.806056      23.21204 9.087874 27.17088 10.81886 -3.958832      14.12930 
1 1 1 36 5  17 o 25.90557 6.829585 7.403321       5.299220      11.66820       6.364022      3.139150       8.473083      29.53322 9.502728 22.27792 9.811783 7.255304       13.65917 
1 1 1 36 5  18 o 16.64451 5.778500 -8.380984      6.484459      -6.926533      6.145111      -9.833311      11.42024      14.35612 6.947199 18.93291 9.235836 -4.576786      11.55700 
1 1 1 36 5  19 o 29.96410 7.431430 14.14778       5.585434      10.20170       6.627566      18.09386       8.990252      26.71842 9.650211 33.20977 11.30389 -6.491358      14.86286 
1 1 1 36 5  20 o 27.37417 7.424959 12.24205       5.756879      11.16520       7.134109      13.31889       9.032760      26.87250 9.973845 27.87584 11.00193 -1.003340      14.84992 
1 1 1 36 6  0  o 12.63098 8.747330 -3.822805      7.084518      -3.822805      7.084518      -3.822805      7.084518      12.63098 8.747330 12.63098 8.747330 0.000000       0.000000 
1 1 1 36 6  1  o 29.34600 7.281147 9.627860       5.328265      11.69654       7.792970      7.559181       7.268716      31.60400 10.52429 27.08801 10.06477 4.515991       14.56229 
1 1 1 36 6  2  o 73.05228 4.418300 56.56987       6.466040      58.61730       9.854564      54.52953       8.380984      74.09996 6.649508 72.00461 5.819756 2.095352       8.836600 
1 1 1 36 6  3  o 27.60606 7.165501 7.637110       5.386359      5.117147       8.260548      10.15920       6.918740      25.48830 10.34612 29.72382 9.916419 -4.235521      14.33100 
1 1 1 36 6  4  o 19.54627 6.229438 -2.641817      5.301345      0.6121732      6.875525      -5.896444      8.069265      20.63017 8.962267 18.46238 8.654556 2.167788       12.45888 
1 1 1 36 6  5  o 25.39768 7.122336 4.748752       5.677533      7.736294       6.921574      1.765462       9.004422      27.03635 9.852365 23.75902 10.28793 3.277330       14.24467 
1 1 1 36 6  6  o 35.99992 7.485244 15.45842       5.917697      18.12220       7.658363      12.78755       9.025676      39.14045 9.796713 32.85939 11.31989 6.281055       14.97049 
1 1 1 36 6  7  o 38.32185 7.332591 17.29331       6.056554      21.54402       7.523758      13.04968       9.493254      43.36287 8.978499 33.28083 11.59544 10.08204       14.66518 
1 1 1 36 6  8  o 20.04497 6.486516 -2.900402      5.831975      -6.505004      6.974707      0.7047679      9.351563      16.64599 7.865452 23.44394 10.31669 -6.797947      12.97303 
1 1 1 36 6  9  o 22.42881 7.846250 -18.95817      13.02843      -21.79198      19.45408      -16.11728      17.34290      22.51001 11.18459 22.34760 11.00725 0.1624088      15.69250 
1 1 1 36 6  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 6  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 6  12 o 21.85745 6.888231 0.9854565      6.169907      0.5931158      6.905988      1.377939       10.23004      20.07393 8.847863 23.64098 10.55965 -3.567057      13.77646 
1 1 1 36 6  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 6  14 o 20.19957 6.408829 -0.6988168     5.632900      2.337182       6.636776      -3.734958      9.103605      20.69275 8.894205 19.70639 9.229597 0.9863567      12.81766 
1 1 1 36 6  15 o 27.12383 6.998567 6.796178       5.829141      14.57994       7.431659      -0.9882903     8.983169      33.23645 10.20383 21.01121 9.581311 12.22524       13.99713 
1 1 1 36 6  16 o 37.30637 6.563292 17.72546       5.765380      26.32607       6.931493      9.124859       9.216957      47.67893 7.268926 26.93380 10.93023 20.74512       13.12658 
1 1 1 36 6  17 o 20.16219 6.401913 1.190199       5.435950      0.9712875      6.220206      1.409111       8.919409      18.85165 8.341647 21.47274 9.713644 -2.621084      12.80383 
1 1 1 36 6  18 o 28.02082 7.854224 13.57394       7.537927      -5.676824      6.326474      32.82257       13.68020      15.05575 7.233202 40.98589 13.94403 -25.93014      15.70845 
1 1 1 36 6  19 o 17.23616 5.791379 -2.415112      5.274423      -6.237917      5.736334      1.406985       8.855647      13.86337 6.709340 20.60895 9.441666 -6.745583      11.58276 
1 1 1 36 6  20 o 24.56064 6.864864 9.266549       5.362980      0.7382067      6.068598      17.79631       8.841478      17.59818 7.983873 31.52309 11.16975 -13.92491      13.72973 
1 1 1 36 7  0  o 38.01798 14.03768 21.25355       9.854564      21.25355       9.854564      21.25355       9.854564      38.01798 14.03768 38.01798 14.03768 0.000000       0.000000 
1 1 1 36 7  1  o 29.00695 7.208352 6.035301       6.455412      14.31781       7.069641      -2.245084      10.80389      34.69759 9.772676 23.31631 10.59888 11.38128       14.41670 
1 1 1 36 7  2  o 68.22049 4.948514 50.78183       6.875525      39.50327       8.005506      62.06746       11.17937      60.82452 6.580821 75.61645 7.392154 -14.79192      9.897027 
1 1 1 36 7  3  o 18.59079 6.166220 -5.954537      5.855353      -4.783466      7.072474      -7.127024      9.337394      17.62821 8.216556 19.55338 9.196592 -1.925163      12.33244 
1 1 1 36 7  4  o 29.86561 7.305257 8.310139       6.088435      15.11128       7.545012      1.512545       9.557014      35.55249 10.12249 24.17873 10.53576 11.37376       14.61051 
1 1 1 36 7  5  o 15.11355 5.278467 -15.53635      5.793010      -12.66712      7.025717      -18.39849      9.209873      14.40882 7.082495 15.81828 7.828608 -1.409458      10.55693 
1 1 1 36 7  6  o 19.23864 6.256999 -5.085267      5.740584      -0.8600605     7.282885      -9.309056      8.876901      20.25685 8.986759 18.22043 8.708517 2.036423       12.51400 
1 1 1 36 7  7  o 22.62614 6.712691 -2.337182      6.116773      7.743378       7.545012      -12.41916      9.634944      27.29331 10.23170 17.95898 8.692134 9.334328       13.42538 
1 1 1 36 7  8  o 23.16200 11.33113 -13.58102      17.56252      -13.58102      17.56252      ?              ?             23.16200 11.33113 ?        ?        ?              ?        
1 1 1 36 7  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 7  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 7  11 o 25.24461 7.832897 6.494378       7.842561      2.816096       6.772799      10.17337       14.15487      21.20440 9.045031 29.28483 12.79080 -8.080427      15.66579 
1 1 1 36 7  12 o 37.38575 8.151695 15.19629       9.167366      28.26723       9.542846      2.122522       15.64970      47.28040 10.37454 27.49111 12.57654 19.78929       16.30339 
1 1 1 36 7  13 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 7  14 o 24.56878 6.725763 3.006670       5.718623      -9.365732      7.459997      15.38049       8.671450      15.65890 7.595859 33.47866 11.10164 -17.81976      13.45153 
1 1 1 36 7  15 o 21.55366 6.330520 -0.3190158     5.379983      8.699788       6.836560      -9.337394      8.310139      26.50229 9.778128 16.60503 8.043018 9.897266       12.66104 
1 1 1 36 7  16 o 45.53996 6.346647 26.14187       5.606688      27.73589       6.474541      24.54785       9.153197      49.44548 6.547151 41.63445 10.87449 7.811031       12.69329 
1 1 1 36 7  17 o 21.67613 6.540328 4.271256       5.155404      -1.938324      5.613772      10.47800       8.650196      16.10612 7.434810 27.24614 10.76230 -11.14002      13.08066 
1 1 1 36 7  18 o 18.52039 6.036991 0.3322639      5.147611      -1.894400      5.469956      2.558928       8.721042      15.74113 7.293993 21.29965 9.621783 -5.558524      12.07398 
1 1 1 36 7  19 o 25.61648 7.134531 10.48509       5.529466      4.102644       5.860313      16.86115       9.379901      20.25843 8.517076 30.97453 11.44839 -10.71610      14.26906 
1 1 1 36 7  20 o 18.45529 5.840400 1.103768       4.740959      4.195451       5.727124      -1.987916      7.559181      19.66578 8.350895 17.24480 8.167231 2.420986       11.68080 
1 1 1 36 8  0  o 91.91226 7.113638 89.12323       12.92216      89.12323       12.92216      89.12323       12.92216      91.91226 7.113638 91.91226 7.113638 0.000000       0.000000 
1 1 1 36 8  1  f 25.99923 7.662426 3.974414       6.772090      -0.5140526     9.231127      8.458915       9.911241      22.69175 10.08609 29.30671 11.53784 -6.614960      15.32485 
1 1 1 36 8  2  o 28.54262 7.937500 7.459997       6.757921      10.61261       9.479085      4.315888       9.634944      30.96796 11.49620 26.11729 10.94774 4.850668       15.87500 
1 1 1 36 8  3  o 34.43787 7.080266 10.83931       6.915907      28.18221       9.946663      -6.501462      9.606606      48.64330 10.52183 20.23245 9.476903 28.41086       14.16053 
1 1 1 36 8  4  o 32.52033 8.188055 11.99409       6.849311      8.161365       9.656199      15.82681       9.719957      29.04385 11.40298 35.99681 11.75369 -6.952957      16.37611 
1 1 1 36 8  5  o 26.65180 7.531868 2.500835       6.988877      13.30472       9.812057      -8.303054      9.953747      33.42021 11.77444 19.88339 9.395671 13.53682       15.06374 
1 1 1 36 8  6  f 23.20073 6.980869 0.7892153      6.160697      6.308763       7.537927      -4.729624      9.748297      25.61862 10.06960 20.78284 9.671263 4.835785       13.96174 
1 1 1 36 8  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 8  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 8  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 8  10 o 53.89555 6.645747 36.82533       7.061847      31.96535       8.062181      41.68530       11.59735      52.21193 7.720632 55.57917 10.81923 -3.367249      13.29149 
1 1 1 36 8  11 o 33.89301 7.851269 15.45842       6.267673      10.69054       6.978959      20.22630       10.41424      29.50401 9.959495 38.28201 12.13994 -8.778002      15.70254 
1 1 1 36 8  12 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 8  13 o 23.33221 6.855763 4.716164       5.490501      4.859271       5.771049      4.573764       9.344479      22.26372 8.791765 24.40071 10.52192 -2.136995      13.71153 
1 1 1 36 8  14 o 18.37788 6.016726 -3.269505      5.382108      -1.013795      6.580100      -5.525216      8.515590      18.37126 8.325162 18.38449 8.688825 -0.1323318E-01 12.03345 
1 1 1 36 8  15 o 33.44656 6.950274 14.80664       5.440909      17.83173       6.197536      11.78864       8.947746      37.86864 8.404458 29.02448 11.07205 8.844162       13.90055 
1 1 1 36 8  16 o 31.65867 7.140175 14.96959       5.552845      5.527341       5.965164      24.41325       9.365732      22.46942 8.917699 40.84793 11.15361 -18.37851      14.28035 
1 1 1 36 8  17 o 19.71756 6.128616 1.726497       4.915947      3.164654       5.450828      0.2887649      8.182618      19.55145 8.216716 19.88367 9.095347 -0.3322258     12.25723 
1 1 1 36 8  18 o 16.03591 5.414257 -4.088475      4.896819      -3.463621      5.421073      -4.713330      8.154280      14.72415 6.949189 17.34767 8.304544 -2.623524      10.82851 
1 1 1 36 8  19 o 17.19770 5.611994 -0.3754086     4.521339      -0.9925410     5.698077      0.2417946      7.021466      16.20247 7.483533 18.19293 8.365085 -1.990452      11.22399 
1 1 1 36 9  0  o 16.93932 11.26812 -0.2901818     9.776634      -0.2901818     9.776634      -0.2901818     9.776634      16.93932 11.26812 16.93932 11.26812 0.000000       0.000000 
1 1 1 36 9  1  o 24.68548 7.403030 -0.4181283     7.025717      -10.65512      9.776634      9.819141       10.09544      18.84531 9.038715 30.52565 11.72694 -11.68035      14.80606 
1 1 1 36 9  2  o 38.79799 8.438405 18.89441       7.226208      16.45733       10.08835      21.32440       10.34340      36.41175 11.97435 41.18423 11.89292 -4.772484      16.87681 
1 1 1 36 9  3  o 40.15720 7.959464 20.07044       7.495420      32.48960       10.93850      7.658363       10.25838      51.63308 10.92781 28.68130 11.57563 22.95178       15.91893 
1 1 1 36 9  4  o 42.02714 8.678714 23.69063       7.750463      22.94675       10.74721      24.44159       11.16520      41.44612 12.17297 42.60815 12.37332 -1.162033      17.35743 
1 1 1 36 9  5  o 33.28858 13.47630 18.40558       13.96358      18.40558       13.96358      ?              ?             33.28858 13.47630 ?        ?        ?              ?        
1 1 1 36 9  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 9  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 9  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 9  9  o 26.97023 7.344731 8.961915       5.636442      6.059388       7.077433      11.86657       8.770633      24.14686 9.668845 29.79359 11.05865 -5.646730      14.68946 
1 1 1 36 9  10 o 44.71689 7.325130 25.27047       6.981084      34.82040       8.685618      15.72054       10.93141      55.45607 7.831080 33.97771 12.38161 21.47837       14.65026 
1 1 1 36 9  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 9  12 f 21.10135 6.388874 2.668029       4.903194      -1.577014      5.727124      6.912364       7.962997      16.89256 7.688955 25.31013 10.20543 -8.417572      12.77775 
1 1 1 36 9  13 o 18.22892 5.997493 -2.244375      5.293552      -3.056970      5.428866      -1.431781      9.089437      15.57200 7.235152 20.88585 9.567250 -5.313852      11.99499 
1 1 1 36 9  14 o 36.38521 6.880826 17.44208       5.461455      20.02793       6.212414      14.85623       8.983169      40.76595 7.901610 32.00447 11.26711 8.761478       13.76165 
1 1 1 36 9  15 o 30.65735 7.280883 13.38974       5.398402      11.17229       6.011213      15.61428       8.969000      29.05709 9.224134 32.25761 11.26767 -3.200521      14.56177 
1 1 1 36 9  16 o 18.88608 5.996381 0.7856730      4.719706      -0.9471999     5.968707      2.518546       7.311223      17.11542 7.806193 20.65674 9.104377 -3.541319      11.99276 
1 1 1 36 9  17 o 28.68977 6.634781 11.46275       4.649569      13.92816       5.855353      8.997337       7.226208      32.01312 8.853555 25.36643 9.884120 6.646690       13.26956 
1 1 1 36 9  18 o 14.68804 5.008099 -6.256337      4.518506      -3.454411      5.636442      -9.061099      7.062556      14.90762 7.056608 14.46846 7.108340 0.4391670      10.01620 
1 1 1 36 9  19 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 10 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 10 1  o 59.09005 17.82823 72.12038       22.81923      72.12038       22.81923      ?              ?             59.09005 17.82823 ?        ?        ?              ?        
1 1 1 36 10 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 10 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 10 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 10 5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 10 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 10 7  o 27.46948 7.515116 -0.7240377     8.976085      22.99634       10.06710      -24.44159      14.85623      36.85170 11.96125 18.08727 9.101451 18.76443       15.03023 
1 1 1 36 10 8  o 32.88723 7.093170 12.05077       6.242169      20.77889       7.438744      3.315554       10.02459      41.19007 9.256042 24.58438 10.75072 16.60568       14.18634 
1 1 1 36 10 9  o 32.36047 7.898473 3.542259       9.642029      23.29390       9.585353      -16.20938      16.73363      41.92815 11.21038 22.79278 11.12973 19.13537       15.79695 
1 1 1 36 10 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 10 11 o 22.14496 6.618977 3.246126       5.158237      5.029299       6.677866      1.462953       7.863815      23.00114 9.316234 21.28878 9.404851 1.712358       13.23795 
1 1 1 36 10 12 o 36.42307 7.161657 17.58377       5.508212      22.02577       8.246379      13.13470       7.304138      41.21285 10.07530 31.63328 10.18065 9.579573       14.32331 
1 1 1 36 10 13 o 20.59832 6.240656 2.617021       4.597144      2.462578       6.251379      2.771463       6.743044      20.25577 8.666672 20.94086 8.981756 -0.6850910     12.48131 
1 1 1 36 10 14 o 16.05387 5.351402 -4.067930      4.458995      -2.600018      6.385984      -5.535134      6.224457      16.88812 7.846813 15.21961 7.278567 1.668518       10.70280 
1 1 1 36 10 15 o 35.77109 6.829062 17.71129       5.404070      23.98818       7.254546      11.44150       8.005506      43.32727 8.678089 28.21492 10.54681 15.11235       13.65812 
1 1 1 36 10 16 o 18.24681 6.008232 -7.920490      6.598520      -18.32056      11.52651      2.473205       6.419991      16.80589 8.385950 19.68772 8.606465 -2.881826      12.01646 
1 1 1 36 10 17 o 18.82883 5.916363 1.693200       4.472456      1.285840       6.362606      2.100559       6.286093      18.57658 8.311852 19.08109 8.421787 -0.5045052     11.83273 
1 1 1 36 10 18 o 20.36065 6.242728 4.220956       4.706954      5.155404       6.709747      3.286508       6.603478      21.06802 8.995341 19.65327 8.658548 1.414755       12.48546 
1 1 1 36 11 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 11 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 11 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 11 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 11 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 11 5  o 21.25517 6.521344 0.2819638      5.766089      8.069265       7.516674      -7.509589      8.749379      25.19010 10.00638 17.32024 8.365651 7.869865       13.04269 
1 1 1 36 11 6  o 27.92397 7.287048 8.820225       5.749794      2.428572       7.679617      15.21046       8.558097      22.06635 9.527258 33.78160 11.02885 -11.71525      14.57410 
1 1 1 36 11 7  o 50.70464 6.185050 30.16588       6.080641      31.87325       8.090520      28.46559       9.075267      53.24984 7.596755 48.15945 9.762616 5.090393       12.37010 
1 1 1 36 11 8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 11 9  o 22.72764 7.607438 -4.294635      9.238212      -3.578390      13.04968      -5.010171      13.08510      22.95319 10.81790 22.50208 10.69885 0.4511089      15.21488 
1 1 1 36 11 10 o 34.99914 6.878391 16.20938       5.246794      9.542846       6.711873      22.86882       8.062181      27.63446 9.738050 42.36382 9.716966 -14.72935      13.75678 
1 1 1 36 11 11 f 24.90434 6.785644 6.498628       5.039926      1.279464       6.556013      11.71779       7.658363      19.91348 8.701224 29.89520 10.41482 -9.981712      13.57129 
1 1 1 36 11 12 o 28.83485 6.897475 10.62678       4.996710      14.42408       6.764297      6.834435       7.353730      33.01371 9.644970 24.65598 9.862818 8.357727       13.79495 
1 1 1 36 11 13 o 20.22508 6.177059 1.499084       4.806845      4.833766       6.225166      -1.835599      7.325392      22.04771 8.970752 18.40245 8.494107 3.645262       12.35412 
1 1 1 36 11 14 o 20.65009 6.347759 2.819638       4.885483      2.398818       6.571599      3.239750       7.233293      20.08927 8.745151 21.21090 9.203180 -1.121632      12.69552 
1 1 1 36 11 15 o 22.85109 6.690081 4.694910       5.519547      8.303054       6.382442      1.089599       9.004422      24.88976 9.392988 20.81242 9.528930 4.077341       13.38016 
1 1 1 36 11 16 o 31.20190 7.018898 14.63661       5.759713      25.53260       8.742295      3.740625       7.502505      41.29638 10.54623 21.10743 9.264817 20.18895       14.03780 
1 1 1 36 11 17 o 22.00111 6.376583 5.411155       4.771423      10.10252       6.733126      0.7212039      6.762880      25.74109 9.662426 18.26112 8.323507 7.479963       12.75317 
1 1 1 36 12 0  o 14.70639 9.841425 -0.9011506E-01 7.729208      -0.9011506E-01 7.729208      -0.9011506E-01 7.729208      14.70639 9.841425 14.70639 9.841425 0.000000       0.000000 
1 1 1 36 12 1  o 40.62060 7.168369 21.80614       5.813555      20.77181       8.189702      22.84048       8.253463      39.46946 10.27567 41.77173 9.997637 -2.302265      14.33674 
1 1 1 36 12 2  o 20.34974 6.361215 -0.8798972     5.384942      -6.896778      7.615856      5.137692       7.615856      16.83541 8.051252 23.86406 9.850764 -7.028643      12.72243 
1 1 1 36 12 3  o 64.22226 5.261294 47.28916       6.748711      60.60097       10.50634      33.97735       8.473083      73.73869 7.124036 54.70584 7.744222 19.03284       10.52259 
1 1 1 36 12 4  o 19.94260 6.255116 -0.6432742     5.098019      2.597893       7.017214      -3.884441      7.396237      21.74506 9.239072 18.14015 8.434778 3.604904       12.51023 
1 1 1 36 12 5  o 38.56625 8.126976 19.82248       7.282885      26.41108       9.549930      13.23388       11.00934      45.32557 10.69473 31.80693 12.23984 13.51864       16.25395 
1 1 1 36 12 6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 12 7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 12 8  o 24.06121 6.869247 5.299928       5.353770      -0.1363061     6.978250      10.73304       8.118857      19.36102 8.682693 28.76140 10.64693 -9.400387      13.73849 
1 1 1 36 12 9  o 28.81380 7.128071 10.58427       5.177365      6.863481       6.770674      14.29656       7.835476      24.88204 9.593748 32.74555 10.54503 -7.863508      14.25614 
1 1 1 36 12 10 o 15.60559 5.293831 -6.804679      4.717580      -10.24421      6.239335      -3.368688      7.077433      13.57691 6.673832 17.63427 8.219401 -4.057363      10.58766 
1 1 1 36 12 11 o 19.71042 6.198080 0.9408240      4.904612      -0.4104061     6.444786      2.291842       7.396237      18.34313 8.279571 21.07771 9.225698 -2.734583      12.39616 
1 1 1 36 12 12 o 25.60480 6.877703 8.069265       4.988917      10.15211       6.709038      5.994210       7.382068      27.56276 9.733640 23.64684 9.719436 3.915920       13.75541 
1 1 1 36 12 13 o 21.89977 6.474446 4.395235       4.870606      0.3989292E-01  6.181951      8.749379       7.530843      18.04810 8.129694 25.75145 10.07878 -7.703352      12.94889 
1 1 1 36 12 14 o 31.51409 7.000766 14.35323       5.060471      16.49984       6.714706      12.21371       7.573349      34.41354 9.465068 28.61464 10.31772 5.798895       14.00153 
1 1 1 36 12 15 o 20.53813 5.965600 -0.3346726     4.941452      10.16628       6.497920      -10.83931      7.445828      26.58796 9.560070 14.48830 7.138531 12.09967       11.93120 
1 1 1 36 12 16 o 19.15063 6.117135 1.572055       5.049844      2.619146       6.811764      0.5251045      7.459997      19.53559 8.675918 18.76568 8.625881 0.7699032      12.23427 
1 1 1 36 13 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 13 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 13 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 13 3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 13 4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 13 5  o 22.98604 6.788989 4.325098       5.304887      0.7417490      7.000920      7.906322       7.970083      19.91004 8.824741 26.06204 10.31918 -6.152006      13.57798 
1 1 1 36 13 6  o 27.19026 6.956446 9.146112       4.899652      7.459997       6.762172      10.83223       7.091603      25.38540 9.642362 28.99512 10.02963 -3.609715      13.91289 
1 1 1 36 13 7  o 23.00347 6.570543 4.897527       4.689950      5.805054       6.456830      3.990001       6.804679      23.69855 9.318088 22.30839 9.266141 1.390160       13.14109 
1 1 1 36 13 8  o 17.14070 5.666800 -5.006629      4.998127      -0.7651279     6.678575      -9.245295      7.438744      18.64734 8.422026 15.63407 7.584192 3.013272       11.33360 
1 1 1 36 13 9  o 22.10593 6.114305 0.8671450      4.908862      11.28564       6.773507      -9.549930      7.105771      29.24451 9.811793 14.96735 7.298465 14.27715       12.22861 
1 1 1 36 13 10 o 24.25065 6.704715 6.212414       4.988209      9.521592       6.539010      2.900402       7.530843      27.00277 9.602060 21.49852 9.360196 5.504248       13.40943 
1 1 1 36 13 11 o 25.60094 7.050615 8.076350       5.372190      12.22788       7.934660      3.932616       7.240376      29.32515 10.56225 21.87673 9.342564 7.448414       14.10123 
1 1 1 36 13 12 o 19.00107 5.978371 0.6508546      4.689242      2.768630       6.136609      -1.467204      7.091603      19.91185 8.555318 18.09028 8.352855 1.821568       11.95674 
1 1 1 36 13 13 o 35.58477 7.660981 20.18379       6.114647      13.00717       6.777050      27.36041       10.18045      29.95881 9.814365 41.21073 11.76609 -11.25192      15.32196 
1 1 1 36 13 14 o 21.82720 6.748103 4.771423       5.669739      3.705203       6.468873      5.837643       9.316141      20.45245 8.785606 23.20194 10.24503 -2.749495      13.49621 
1 1 1 36 13 15 o 18.18232 5.928068 0.1649276      4.992460      -1.953910      6.435576      2.283340       7.630026      16.51619 7.739866 19.84845 8.981227 -3.332256      11.85614 
1 1 1 36 14 0  o 26.38407 12.12094 11.76030       6.954871      11.76030       6.954871      11.76030       6.954871      26.38407 12.12094 26.38407 12.12094 0.000000       0.000000 
1 1 1 36 14 1  o 21.45458 6.429101 2.736749       4.881941      5.789468       7.075308      -0.3154736     6.728167      23.92889 9.631660 18.98027 8.518480 4.948627       12.85820 
1 1 1 36 14 2  o 56.33781 5.039175 36.30107       5.604562      44.33491       8.225125      28.26014       7.615856      63.19233 6.508010 49.48328 7.695384 13.70904       10.07835 
1 1 1 36 14 3  o 23.00323 6.619177 4.433491       4.925157      7.906322       7.112856      0.9620776      6.817431      26.00925 9.886327 19.99721 8.804236 6.012045       13.23835 
1 1 1 36 14 4  o 28.00603 6.947664 9.564099       4.971914      6.442660       7.169532      12.68837       6.891819      24.67988 9.782383 31.33218 9.868390 -6.652298      13.89533 
1 1 1 36 14 5  o 23.60673 6.480245 5.071806       4.692785      9.826226       6.722499      0.3148360      6.550345      27.97136 9.756483 19.24209 8.531431 8.729275       12.96049 
1 1 1 36 14 6  o 20.61748 6.213898 1.837015       4.683574      -1.921321      6.570182      5.594644       6.675741      17.77739 8.139467 23.45756 9.391443 -5.680166      12.42780 
1 1 1 36 14 7  o 24.27345 6.432180 5.659113       4.726790      -0.7481251     6.626858      12.06493       6.742336      18.40360 8.346472 30.14329 9.789186 -11.73969      12.86436 
1 1 1 36 14 8  o 16.70040 5.528623 -3.426073      4.633275      -3.824223      6.423533      -3.027923      6.678575      16.33018 7.667000 17.07061 7.967422 -0.7404366     11.05725 
1 1 1 36 14 9  f 24.40812 6.675765 7.141194       4.656654      5.778132       6.492960      8.508506       6.676449      23.03257 9.245043 25.78367 9.632888 -2.751104      13.35153 
1 1 1 36 14 10 o 20.72592 6.190029 2.974789       4.551095      6.327183       6.416448      -0.3776048     6.457538      23.33121 9.252296 18.12063 8.225622 5.210579       12.38006 
1 1 1 36 14 11 o 14.91856 5.118376 -7.417490      4.740251      -5.175949      6.757921      -9.663282      6.648112      15.83649 7.576089 14.00063 6.884328 1.835859       10.23675 
1 1 1 36 14 12 o 26.42181 6.919953 10.01751       4.893985      8.033843       6.550345      12.00826       7.275800      24.46384 9.435558 28.37978 10.12488 -3.915936      13.83991 
1 1 1 36 14 13 o 30.20316 6.853019 13.67312       5.330391      4.463954       6.877649      22.88299       8.147196      21.19130 9.079454 39.21502 10.26738 -18.02372      13.70604 
1 1 1 36 14 14 o 20.78769 8.932700 4.609896       6.691327      4.609896       6.691327      ?              ?             20.78769 8.932700 ?        ?        ?              ?        
1 1 1 36 15 0  o 20.33824 11.38785 7.247461       6.864897      7.247461       6.864897      7.247461       6.864897      20.33824 11.38785 20.33824 11.38785 0.000000       0.000000 
1 1 1 36 15 1  o 22.52118 6.459189 3.679699       4.855020      8.423491       6.723207      -1.066928      7.006588      26.25885 9.695043 18.78352 8.537601 7.475325       12.91838 
1 1 1 36 15 2  o 43.77557 6.118708 23.54185       5.169573      22.68463       7.219123      24.39908       7.396237      42.89799 8.717527 44.65316 8.588311 -1.755173      12.23742 
1 1 1 36 15 3  f 21.45774 6.381802 3.178115       4.752295      5.918406       6.752253      0.4375398      6.689201      23.64432 9.453894 19.27115 8.575167 4.373167       12.76360 
1 1 1 36 15 4  o 30.63138 7.088885 12.62461       5.201453      8.480167       7.233293      16.76905       7.474166      26.09624 9.954970 35.16652 10.09494 -9.070286      14.17777 
1 1 1 36 15 5  o 23.08375 6.571615 5.528049       4.704828      7.261631       6.713998      3.796593       6.592852      24.67195 9.545050 21.49555 9.035292 3.176395       13.14323 
1 1 1 36 15 6  o 22.84257 6.306836 4.315179       4.675782      -2.206119      6.516339      10.83931       6.706913      17.28048 7.989599 28.40465 9.760688 -11.12418      12.61367 
1 1 1 36 15 7  o 16.96773 5.557221 -2.635441      4.519922      0.1360227      6.449036      -5.406904      6.334976      18.53731 8.329293 15.39815 7.358920 3.139157       11.11444 
1 1 1 36 15 8  o 18.92479 5.944268 -0.8033843     4.823848      4.815347       6.607729      -6.422824      7.029967      22.05182 9.143540 15.79776 7.598220 6.254055       11.88854 
1 1 1 36 15 9  o 16.73232 5.539174 -2.816096      4.649569      -2.524922      6.388110      -3.106561      6.757213      16.66377 7.783235 16.80087 7.883593 -0.1371021     11.07835 
1 1 1 36 15 10 o 19.47873 6.195346 0.1733581      5.319056      -3.526673      8.175533      3.873106       6.804679      17.97193 8.503134 20.98553 9.012545 -3.013597      12.39069 
1 1 1 36 15 11 o 26.98486 6.891293 10.49217       4.947119      6.563097       6.806097      14.42408       7.183701      23.00425 9.373273 30.96547 10.10453 -7.961218      13.78259 
1 1 1 36 15 12 o 15.55861 5.268588 -4.553220      4.646736      -5.245378      6.524841      -3.861062      6.616940      15.20752 7.315754 15.90970 7.583653 -0.7021780     10.53718 
1 1 1 36 15 13 o 24.01973 6.898389 8.813140       5.202870      6.301678       6.782009      11.32106       7.892153      21.96381 9.194777 26.07566 10.28626 -4.111851      13.79678 
1 1 1 36 16 0  o 13.83995 9.240772 0.5226957E-01  6.723916      0.5226957E-01  6.723916      0.5226957E-01  6.723916      13.83995 9.240772 13.83995 9.240772 0.000000       0.000000 
1 1 1 36 16 1  o 32.04259 6.905442 13.99901       4.915238      11.21479       6.918032      16.77614       6.983918      28.72106 9.908891 35.36413 9.620520 -6.643070      13.81088 
1 1 1 36 16 2  o 18.48976 5.938363 -0.9195704     4.842268      1.677614       6.851437      -3.516755      6.845061      20.01836 8.819476 16.96116 7.954461 3.057203       11.87673 
1 1 1 36 16 3  o 33.93270 6.881924 15.66387       4.914530      15.74180       6.829475      15.57885       7.068224      34.15510 9.600526 33.71030 9.862728 0.4447937      13.76385 
1 1 1 36 16 4  o 33.94294 6.751720 15.65678       4.932950      19.51076       6.901738      11.80989       7.050512      38.71439 9.064157 29.17148 10.00919 9.542910       13.50344 
1 1 1 36 16 5  f 19.29522 6.002257 1.024421       4.602811      3.927657       6.417865      -1.878814      6.598520      21.18152 8.909465 17.40891 8.045483 3.772608       12.00451 
1 1 1 36 16 6  o 16.36926 5.450038 -3.693159      4.623356      -5.677533      6.469582      -1.708786      6.606313      15.31981 7.348994 17.41870 8.050090 -2.098881      10.90008 
1 1 1 36 16 7  o 25.15531 6.820060 8.317224       4.937909      11.36357       7.082392      5.272298       6.881900      28.05672 9.991428 22.25390 9.285701 5.802814       13.64012 
1 1 1 36 16 8  o 35.86547 6.811739 18.14345       4.991043      18.13637       7.054762      18.15053       7.061139      35.86146 9.630581 35.86947 9.635926 -0.8010864E-02 13.62348 
1 1 1 36 16 9  o 23.80445 6.626538 7.134109       4.811096      3.438825       6.678575      10.83223       6.926533      20.43913 8.855412 27.16978 9.860310 -6.730654      13.25308 
1 1 1 36 16 10 o 20.85278 6.461242 3.764004       5.205703      3.546510       8.005506      3.980790       6.659447      21.07651 9.379684 20.62906 8.888875 0.4474468      12.92248 
1 1 1 36 16 11 o 22.18817 6.549209 6.286801       4.864230      5.146194       6.823808      7.424574       6.933618      21.24752 9.071712 23.12883 9.448417 -1.881306      13.09842 
1 1 1 36 17 0  o 16.16268 10.12651 3.649235       6.594269      3.649235       6.594269      3.649235       6.594269      16.16268 10.12651 16.16268 10.12651 0.000000       0.000000 
1 1 1 36 17 1  o 49.70767 5.475173 30.10920       5.441618      29.34407       7.722124      30.86724       7.665448      48.90166 7.895565 50.51368 7.587499 -1.612015      10.95035 
1 1 1 36 17 2  o 30.31408 6.176928 11.49817       5.083141      23.27264       7.318307      -0.2704869     7.059722      42.01007 8.973279 18.61810 8.491056 23.39197       12.35386 
1 1 1 36 17 3  o 24.85558 6.816135 7.977167       4.974040      5.306304       7.134109      10.64803       6.934327      22.37738 9.402075 27.33379 9.871159 -4.956409      13.63227 
1 1 1 36 17 4  o 17.79378 5.815720 -1.366603      4.893277      0.4316597      7.134109      -3.164654      6.700537      18.98379 8.624980 16.60377 7.803853 2.380024       11.63144 
1 1 1 36 17 5  o 22.81759 6.479606 5.471373       4.839434      10.51342       6.877649      0.4315888      6.809639      27.00999 9.823179 18.62519 8.452593 8.384800       12.95921 
1 1 1 36 17 6  o 40.74212 6.395282 22.47209       5.086684      20.16254       7.127024      24.78164       7.261631      38.07995 9.402000 43.40428 8.671845 -5.324326      12.79056 
1 1 1 36 17 7  o 26.72647 6.655426 9.783719       4.864938      15.36632       6.812472      4.192617       6.947787      32.38826 9.734961 21.06469 9.077957 11.32358       13.31085 
1 1 1 36 17 8  o 32.43907 7.063729 16.01810       5.041343      17.15870       7.169532      14.87749       7.084518      33.75253 9.951759 31.12562 10.02734 2.626911       14.12746 
1 1 1 36 17 9  o 19.07413 6.020216 2.267754       4.694910      2.024047       6.544678      2.511461       6.733126      18.84772 8.431636 19.30055 8.595321 -0.4528313     12.04043 
1 1 1 36 17 10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 36 18 0  o 20.95163 11.53828 8.579351       6.888985      8.579351       6.888985      8.579351       6.888985      20.95163 11.53828 20.95163 11.53828 0.000000       0.000000 
1 1 1 36 18 1  o 17.64047 5.768893 -1.197284      4.835184      0.5383525      6.998086      -2.933699      6.673616      18.73677 8.520633 16.54418 7.779417 2.192591       11.53779 
1 1 1 36 18 2  o 19.32329 6.130585 1.598976       4.927282      1.189491       6.886859      2.009169       7.047678      19.00176 8.568810 19.64482 8.769935 -0.6430569     12.26117 
1 1 1 36 18 3  o 19.18062 6.022780 1.219954       4.787009      -2.991084      6.621190      5.430283       6.916615      16.40656 7.724617 21.95467 9.242608 -5.548111      12.04556 
1 1 1 36 18 4  o 34.19995 6.962147 17.39958       5.070390      19.48242       7.066806      15.31673       7.275800      36.88229 9.518770 31.51762 10.16263 5.364664       13.92429 
1 1 1 36 18 5  o 37.14541 6.736869 20.04918       5.062596      17.55543       7.061847      22.53585       7.254546      34.25117 9.806128 40.03965 9.240210 -5.788483      13.47374 
1 1 1 36 18 6  o 27.42731 6.995824 11.84531       4.989626      13.98484       7.035635      9.705790       7.076725      29.69158 9.999849 25.16304 9.786177 4.528545       13.99165 
1 1 1 36 18 7  o 19.19399 6.163950 2.127481       5.165322      0.6890402      6.861355      3.565638       7.722124      18.09927 8.299805 20.28871 9.115391 -2.189436      12.32790 
1 1 1 36 19 0  o 11.37518 8.056196 -4.454036      6.978250      -4.454036      6.978250      -4.454036      6.978250      11.37518 8.056196 11.37518 8.056196 0.000000       0.000000 
1 1 1 36 19 1  f 26.11749 6.880159 10.63386       5.076765      6.301678       7.176617      14.96959       7.183701      21.97609 9.340508 30.25889 10.10452 -8.282799      13.76032 
1 1 1 36 19 2  o 22.14580 6.495056 5.618731       5.101561      11.63986       7.254546      -0.4041009     7.176617      26.55122 10.01589 17.74039 8.271934 8.810831       12.99011 
1 1 1 36 19 3  o 25.82379 6.924615 10.68345       5.157529      6.532634       7.268716      14.84206       7.318307      21.97870 9.372667 29.66887 10.19580 -7.690168      13.84923 
1 1 1 37 0  1  o 35.44705 13.38070 18.39849       8.848563      18.39849       8.848563      18.39849       8.848563      35.44705 13.38070 35.44705 13.38070 0.000000       0.000000 
1 1 1 37 0  2  o 53.93731 10.99466 34.43784       10.49926      34.43784       10.49926      34.43784       10.49926      53.93731 10.99466 53.93731 10.99466 0.000000       0.000000 
1 1 1 37 0  3  o 40.93039 12.94355 22.72713       9.287803      22.72713       9.287803      22.72713       9.287803      40.93039 12.94355 40.93039 12.94355 0.000000       0.000000 
1 1 1 37 0  4  o 30.90168 13.82514 15.57885       9.032760      15.57885       9.032760      15.57885       9.032760      30.90168 13.82514 30.90168 13.82514 0.000000       0.000000 
1 1 1 37 0  5  o 14.50386 10.07507 -4.239376      9.606606      -4.239376      9.606606      -4.239376      9.606606      14.50386 10.07507 14.50386 10.07507 0.000000       0.000000 
1 1 1 37 0  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 0  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 0  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 0  9  o 16.34127 10.65206 2.235874       8.182618      2.235874       8.182618      2.235874       8.182618      16.34127 10.65206 16.34127 10.65206 0.000000       0.000000 
1 1 1 37 0  10 o 11.12870 7.949084 -7.552096      7.212039      -7.552096      7.212039      -7.552096      7.212039      11.12870 7.949084 11.12870 7.949084 0.000000       0.000000 
1 1 1 37 0  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 0  12 o 18.05781 10.96586 4.927282       7.212039      4.927282       7.212039      4.927282       7.212039      18.05781 10.96586 18.05781 10.96586 0.000000       0.000000 
1 1 1 37 0  13 o 19.27667 11.32192 6.106146       7.233293      6.106146       7.233293      6.106146       7.233293      19.27667 11.32192 19.27667 11.32192 0.000000       0.000000 
1 1 1 37 0  14 o 13.75570 9.301077 -1.039299      7.240376      -1.039299      7.240376      -1.039299      7.240376      13.75570 9.301077 13.75570 9.301077 0.000000       0.000000 
1 1 1 37 0  15 o 20.47030 12.36268 7.537927       9.054014      7.537927       9.054014      7.537927       9.054014      20.47030 12.36268 20.47030 12.36268 0.000000       0.000000 
1 1 1 37 0  16 o 26.54342 12.59921 12.87257       7.552096      12.87257       7.552096      12.87257       7.552096      26.54342 12.59921 26.54342 12.59921 0.000000       0.000000 
1 1 1 37 0  17 o 11.38991 7.985647 -3.814305      6.478083      -3.814305      6.478083      -3.814305      6.478083      11.38991 7.985647 11.38991 7.985647 0.000000       0.000000 
1 1 1 37 0  18 o 12.65304 8.776396 -2.188408      7.176617      -2.188408      7.176617      -2.188408      7.176617      12.65304 8.776396 12.65304 8.776396 0.000000       0.000000 
1 1 1 37 0  19 o 20.36451 12.62809 9.549930       9.982086      9.549930       9.982086      9.549930       9.982086      20.36451 12.62809 20.36451 12.62809 0.000000       0.000000 
1 1 1 37 1  0  o 31.61431 14.01363 15.96850       9.280719      15.96850       9.280719      15.96850       9.280719      31.61431 14.01363 31.61431 14.01363 0.000000       0.000000 
1 1 1 37 1  1  o 30.54046 7.776323 10.30089       6.168490      13.63061       9.039845      6.975416       8.395153      33.79679 11.33501 27.28412 10.64905 6.512669       15.55265 
1 1 1 37 1  2  o 37.49984 8.095059 17.26497       6.765715      21.23938       9.606606      13.29764       9.528677      41.55807 11.27331 33.44162 11.62034 8.116447       16.19012 
1 1 1 37 1  3  o 23.72210 7.153778 2.513587       5.998462      0.6796887      7.906322      4.347060       9.018591      21.91321 9.565352 25.53100 10.64003 -3.617794      14.30756 
1 1 1 37 1  4  o 23.67789 7.166211 2.651027       6.063639      4.245751       8.664365      1.056302       8.480167      24.83626 10.39472 22.51952 9.867533 2.316742       14.33242 
1 1 1 37 1  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 1  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 1  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 1  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 1  9  o 48.88917 6.297614 29.64871       6.031050      33.21222       8.883986      26.09228       8.161365      52.46874 8.465980 45.30959 9.325605 7.159145       12.59523 
1 1 1 37 1  10 o 20.71714 6.449322 0.5361563      5.216331      2.449826       7.474166      -1.377230      7.282885      22.07585 9.461944 19.35843 8.766223 2.717424       12.89864 
1 1 1 37 1  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 1  12 o 44.17719 6.495301 24.36366       5.554262      23.99526       7.941744      24.73914       7.764632      43.63477 9.370014 44.71960 8.997699 -1.084831      12.99060 
1 1 1 37 1  13 o 24.37766 6.906943 6.019006       5.156821      7.764632       7.424574      4.271256       7.162447      25.96506 10.03908 22.79027 9.488960 3.174789       13.81389 
1 1 1 37 1  14 o 16.19166 5.464582 -5.746961      4.899652      -5.528758      6.763589      -5.965164      7.091603      16.06891 7.661376 16.31441 7.794227 -0.2455006     10.92916 
1 1 1 37 1  15 o 18.89647 5.871280 -2.963454      4.913113      -12.53960      7.042719      6.616231       6.852146      13.81890 6.840738 23.97404 9.544214 -10.15514      11.74256 
1 1 1 37 1  16 o 21.55577 6.700260 3.336808       5.610230      6.811764       8.770633      -0.1381481     7.000920      24.36585 10.33994 18.74568 8.524065 5.620165       13.40052 
1 1 1 37 1  17 o 22.24768 6.815201 4.615563       5.734918      -1.032923      7.176617      10.26547       8.947746      18.15009 8.388969 26.34528 10.74305 -8.195192      13.63040 
1 1 1 37 1  18 f 24.28595 7.511170 9.812057       7.079559      3.302802       6.298136      16.32273       12.68129      19.86747 8.603500 28.70443 12.31465 -8.836952      15.02234 
1 1 1 37 1  19 o 36.38897 7.122610 21.36691       5.831267      22.89716       6.514922      19.82957       9.670367      41.09120 8.217823 31.68674 11.63588 9.404461       14.24522 
1 1 1 37 2  0  o 11.65297 8.389373 -10.53468      8.480167      -10.53468      8.480167      -10.53468      8.480167      11.65297 8.389373 11.65297 8.389373 0.000000       0.000000 
1 1 1 37 2  1  o 23.61561 7.174379 1.669821       6.171323      -0.8721041     8.692703      4.211038       8.763549      21.91193 9.762071 25.31928 10.51612 -3.407354      14.34876 
1 1 1 37 2  2  o 28.80441 7.377453 7.162447       6.228708      16.19521       8.933578      -1.873855      8.685618      36.31679 11.19524 21.29202 9.611137 15.02477       14.75491 
1 1 1 37 2  3  o 19.62143 6.405532 -4.315888      5.944619      -2.355602      7.970083      -6.276883      8.820225      20.05302 9.112247 19.18984 9.005017 0.8631783      12.81106 
1 1 1 37 2  4  f 35.81355 7.985971 16.74780       6.405821      15.23880       8.919409      18.24972       9.195704      34.29603 11.25926 37.33107 11.32837 -3.035046      15.97194 
1 1 1 37 2  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 2  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 2  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 2  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 2  9  o 25.35819 6.907549 6.232251       5.350936      0.5230500      7.530843      11.94450       7.601687      20.46717 9.103265 30.24921 10.39170 -9.782036      13.81510 
1 1 1 37 2  10 o 38.19117 7.386704 18.72438       5.834808      16.71946       8.281801      20.72930       8.225125      35.87966 10.72333 40.50268 10.16188 -4.623024      14.77341 
1 1 1 37 2  11 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 2  12 o 30.37321 7.188317 12.10036       5.175949      10.29380       7.233293      13.90691       7.403321      28.38270 10.09833 32.36372 10.23285 -3.981018      14.37663 
1 1 1 37 2  13 o 22.84076 6.470524 3.128523       5.028590      -3.887983      7.048388      10.14503       7.176617      17.39205 8.141276 28.28947 10.05934 -10.89741      12.94105 
1 1 1 37 2  14 o 16.54318 5.526103 -4.541884      4.806845      -5.373607      6.988877      -3.710871      6.601354      16.40462 7.808886 16.68173 7.821290 -0.2771091     11.05221 
1 1 1 37 2  15 o 35.10422 6.839974 16.28731       5.804345      23.24430       6.837976      9.323226       9.379901      43.43869 8.171009 26.76975 10.97158 16.66894       13.67995 
1 1 1 37 2  16 o 20.16972 6.406078 1.985790       5.422490      -5.071097      5.598186      9.039845       9.287803      14.36742 6.878595 25.97202 10.80908 -11.60461      12.81216 
1 1 1 37 2  17 f 28.35302 8.048986 15.62845       7.360813      5.481292       5.641402      25.78056       13.59519      21.72361 8.656354 34.98244 13.57248 -13.25883      16.09797 
1 1 1 37 2  18 o 24.32696 7.232085 8.529759       6.811056      7.382068       5.688868      9.670367       12.37665      23.38176 8.854980 25.27217 11.43685 -1.890406      14.46417 
1 1 1 37 3  0  o 37.19173 13.87897 20.41050       9.578268      20.41050       9.578268      20.41050       9.578268      37.19173 13.87897 37.19173 13.87897 0.000000       0.000000 
1 1 1 37 3  1  o 25.78425 7.455150 5.093060       6.131650      6.332850       8.388069      3.853978       8.947746      26.52136 10.55937 25.04714 10.52695 1.474218       14.91030 
1 1 1 37 3  2  o 34.54572 7.841112 14.80664       6.159280      13.22680       8.565183      16.39357       8.855647      32.90181 11.03341 36.18962 11.14433 -3.287811      15.68222 
1 1 1 37 3  3  o 39.54093 7.983044 20.38924       6.789093      25.22088       9.684536      15.55760       9.514507      44.51978 10.94015 34.56208 11.62880 9.957706       15.96609 
1 1 1 37 3  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 3  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 3  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 3  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 3  8  o 27.03281 7.732038 11.28564       6.793344      4.507170       9.188620      18.06552       10.01042      22.30326 9.983722 31.76236 11.80944 -9.459105      15.46408 
1 1 1 37 3  9  o 19.68409 6.280689 -1.175321      5.294969      -2.439199      7.537927      0.8891070E-01  7.438744      19.00908 8.709637 20.35910 9.051543 -1.350021      12.56138 
1 1 1 37 3  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 3  11 o 18.84706 9.283602 -15.72763      12.24205      -15.72763      12.24205      ?              ?             18.84706 9.283602 ?        ?        ?              ?        
1 1 1 37 3  12 o 20.93060 6.550898 1.146984       5.522382      1.620938       6.320098      0.6734543      9.061099      19.92504 8.623322 21.93616 9.863842 -2.011114      13.10180 
1 1 1 37 3  13 o 19.64905 6.106034 -1.074013      5.148319      3.635775       5.758296      -5.783801      8.536844      21.01649 8.602130 18.28160 8.668217 2.734890       12.21207 
1 1 1 37 3  14 o 21.63590 6.930976 0.8218040      6.484459      3.872397       9.592437      -2.229498      8.728126      23.55405 10.39878 19.71774 9.166197 3.836306       13.86195 
1 1 1 37 3  15 o 25.70824 6.255766 5.474207       5.134858      13.46058       5.769631      -2.510753      8.494337      32.24971 8.731330 19.16678 8.961156 13.08293       12.51153 
1 1 1 37 3  16 o 22.11302 6.588143 4.280466       5.365814      5.932575       5.687451      2.629065       9.103605      22.42489 8.762491 21.80116 9.840390 0.6237316      13.17629 
1 1 1 37 3  17 o 23.15728 7.423298 8.352647       7.424574      0.9330310E-01  5.548594      16.61319       13.77939      17.05236 7.690441 29.26220 12.69955 -12.20984      14.84660 
1 1 1 37 3  18 o 22.67915 6.752808 6.568765       5.461455      6.179825       5.793718      6.957705       9.259464      22.01881 8.772923 23.33950 10.26828 -1.320688      13.50562 
1 1 1 37 4  0  o 15.60841 10.48781 -1.057010      8.954830      -1.057010      8.954830      -1.057010      8.954830      15.60841 10.48781 15.60841 10.48781 0.000000       0.000000 
1 1 1 37 4  1  o 28.53286 6.713326 4.540468       6.159988      -9.882903      9.337394      18.96525       8.033843      18.14296 8.733672 38.92277 10.19794 -20.77981      13.42665 
1 1 1 37 4  2  o 27.29352 8.406271 2.648193       10.47800      -3.067596      19.16362      8.366816       8.487252      27.33851 12.97427 27.24854 10.69252 0.8996964E-01  16.81254 
1 1 1 37 4  3  o 17.84313 9.087501 -44.12238      17.20829      -44.12238      17.20829      ?              ?             17.84313 9.087501 ?        ?        ?              ?        
1 1 1 37 4  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 4  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 4  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 4  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 4  8  o 17.38136 5.730100 -4.505753      4.977582      -10.17337      6.548929      1.161861       7.495420      14.06158 6.888510 20.70114 9.158854 -6.639560      11.46020 
1 1 1 37 4  9  o 16.11839 5.299807 -8.565183      4.630441      1.292925       6.255630      -18.42683      6.828767      19.92462 8.600589 12.31216 6.195295 7.612453       10.59961 
1 1 1 37 4  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 4  11 o 39.63443 7.042777 20.27589       6.066473      23.20888       6.660863      17.34290       10.13795      44.95600 7.408204 34.31286 11.98004 10.64314       14.08555 
1 1 1 37 4  12 o 30.30194 7.134731 11.42733       5.513172      12.85132       5.865981      10.01042       9.337394      32.17351 8.845676 28.43037 11.19694 3.743139       14.26946 
1 1 1 37 4  13 o 21.20042 6.326329 0.5034258      5.248919      -11.84531      5.542218      12.85840       8.912323      11.94453 5.939688 30.45632 11.17183 -18.51178      12.65266 
1 1 1 37 4  14 o 28.49324 7.364413 10.08127       6.059388      16.38649       8.055097      3.783841       9.054014      33.89668 10.66733 23.08981 10.15610 10.80686       14.72883 
1 1 1 37 4  15 f 19.19381 6.321378 -2.416529      6.030342      -0.8253463     7.870899      -4.007712      9.139028      19.33359 8.875721 19.05403 9.003380 0.2795601      12.64276 
1 1 1 37 4  16 o 22.01066 6.664473 5.338893       5.321181      -0.3095934     5.567014      10.98809       9.068183      16.91540 7.661880 27.10591 10.90671 -10.19051      13.32895 
1 1 1 37 4  17 o 24.36948 7.427627 10.13086       6.742336      1.819304       5.370065      18.44100       12.36957      18.10430 7.893142 30.63465 12.58479 -12.53035      14.85525 
1 1 1 37 4  18 o 22.47605 6.632656 6.262714       5.331808      7.119940       5.768923      5.401945       8.969000      22.81619 8.843516 22.13591 9.887401 0.6802788      13.26531 
1 1 1 37 5  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 5  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 5  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 5  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 5  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 5  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 5  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 5  7  o 27.71130 7.129156 10.43549       5.761838      -0.2643942     6.223749      21.13312       9.698705      18.09530 8.153708 37.32730 11.69686 -19.23199      14.25831 
1 1 1 37 5  8  o 22.05478 6.553243 0.2787758      5.579058      -12.02243      6.002004      12.57502       9.408240      12.78138 6.324217 31.32819 11.47973 -18.54681      13.10649 
1 1 1 37 5  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 5  10 x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 5  11 o 26.70105 7.238461 9.124859       5.567723      4.356270       5.749794      13.89982       9.535762      21.75504 8.713331 31.64706 11.56110 -9.892019      14.47692 
1 1 1 37 5  12 o 52.22532 6.010422 32.63837       6.132358      29.64162       6.451162      35.62804       10.42841      51.90331 6.214596 52.54733 10.28978 -0.6440201     12.02084 
1 1 1 37 5  13 o 26.73168 7.057143 9.620775       5.243251      4.366188       5.639985      14.87749       8.841478      21.39019 8.603701 32.07318 11.18881 -10.68299      14.11429 
1 1 1 37 5  14 o 18.27188 5.793831 -2.533424      4.954203      3.018713       5.576224      -8.083434      8.189702      19.88934 8.332458 16.65442 8.052579 3.234922       11.58766 
1 1 1 37 5  15 o 18.43319 5.982049 -0.5547886     5.109354      -0.3183782     5.537259      -0.7913406     8.586436      17.01304 7.677112 19.85333 9.176144 -2.840298      11.96410 
1 1 1 37 5  16 o 17.73064 5.847335 -0.9054013     5.065430      -2.292550      5.321890      0.4823140      8.621859      15.30021 7.129930 20.16106 9.269812 -4.860847      11.69467 
1 1 1 37 5  17 o 15.31572 5.430920 -9.096521      6.227999      -9.549930      5.418948      -8.636027      11.21479      12.13119 6.004125 18.50026 9.051523 -6.369064      10.86184 
1 1 1 37 5  18 o 21.14094 6.559067 5.396277       5.496169      3.833432       5.700912      6.959122       9.401155      19.47934 8.303493 22.80255 10.15566 -3.323210      13.11813 
1 1 1 37 6  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 6  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 6  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 6  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 6  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 6  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 6  6  o 19.68368 6.374938 -0.7545011     5.780967      -0.1085348     6.376774      -1.399901      9.642029      18.44286 8.284794 20.92450 9.691314 -2.481636      12.74988 
1 1 1 37 6  7  o 31.00524 7.495892 11.93741       5.909196      12.36248       6.436993      11.51234       9.911241      31.62557 9.454244 30.38490 11.63490 1.240669       14.99178 
1 1 1 37 6  8  o 27.69116 12.82576 1.218537       16.88949      1.218537       16.88949      ?              ?             27.69116 12.82576 ?        ?        ?              ?        
1 1 1 37 6  9  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 6  10 f 51.84051 5.839030 33.09887       6.128108      21.41650       6.611980      44.77415       10.32214      42.30839 8.103025 61.37263 8.409403 -19.06424      11.67806 
1 1 1 37 6  11 o 37.80950 7.211824 18.90149       5.758296      15.97559       6.099770      21.83448       9.769550      36.17402 8.554873 39.44499 11.61274 -3.270977      14.42365 
1 1 1 37 6  12 o 17.32456 5.812742 -4.643193      5.456496      -3.309887      5.695244      -5.977208      9.309056      15.72884 7.347513 18.92028 9.009213 -3.191442      11.62548 
1 1 1 37 6  13 o 18.86843 6.113561 -1.134231      5.249628      -0.5502545     6.602770      -1.717996      8.161365      18.36770 8.330683 19.36917 8.949985 -1.001471      12.22712 
1 1 1 37 6  14 o 30.16635 7.185728 13.18429       5.258129      9.507423       5.683200      16.86824       8.848563      26.95524 8.987478 33.37746 11.21445 -6.422218      14.37146 
1 1 1 37 6  15 o 25.89056 7.116963 9.486169       5.333225      6.543969       6.400862      12.42624       8.529759      23.22360 9.231137 28.55752 10.83470 -5.333921      14.23393 
1 1 1 37 6  16 o 16.03466 5.401173 -4.723957      4.971206      -2.235165      5.455787      -7.212039      8.310139      15.46570 7.211701 16.60361 8.042516 -1.137914      10.80235 
1 1 1 37 6  17 o 18.84448 5.873487 -1.936199      5.290009      5.600311       5.631483      -9.472000      8.954830      21.41880 8.604672 16.27015 7.996938 5.148643       11.74697 
1 1 1 37 7  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 7  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 7  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 7  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 7  4  o 35.17228 7.648731 19.09278       6.028925      13.34723       7.311223      24.83832       9.585353      30.23600 10.19382 40.10855 11.40607 -9.872543      15.29746 
1 1 1 37 7  5  o 26.53372 7.060468 8.366816       5.171698      7.715039       6.199661      9.018591       8.281801      25.64553 9.326492 27.42191 10.60271 -1.776381      14.12094 
1 1 1 37 7  6  o 25.51292 7.153623 6.245002       5.725707      6.896778       6.067182      5.593227       9.712874      25.05217 9.214948 25.97368 10.94450 -0.9215126     14.30725 
1 1 1 37 7  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 7  8  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 7  9  o 28.39320 7.434589 10.58427       5.793718      8.947746       6.230834      12.22079       9.769550      26.83321 9.389727 29.95320 11.52933 -3.119986      14.86918 
1 1 1 37 7  10 o 18.07118 5.934729 -3.586183      5.354478      -1.153360      5.834808      -6.019715      8.983169      17.37235 7.857728 18.77001 8.896073 -1.397665      11.86946 
1 1 1 37 7  11 o 30.92635 6.924622 12.13578       5.156821      14.21154       5.955954      10.06001       8.423491      33.76394 8.750268 28.08876 10.73473 5.675177       13.84924 
1 1 1 37 7  12 o 28.56729 7.180966 10.62678       5.508921      11.85948       6.186202      9.394071       9.117774      30.04638 9.326976 27.08821 10.92120 2.958170       14.36193 
1 1 1 37 7  13 o 16.43790 5.528994 -6.095519      5.138401      -2.521380      6.451871      -9.670367      7.998421      16.98604 7.890336 15.88975 7.747367 1.096292       11.05799 
1 1 1 37 7  14 o 23.24244 6.485085 3.562804       5.336059      11.16520       6.636068      -4.043134      8.359732      28.31399 9.710982 18.17089 8.597798 10.14310       12.97017 
1 1 1 37 7  15 o 17.63482 5.821158 -3.590434      5.322598      1.149109       6.820265      -8.331393      8.175533      19.09339 8.572742 16.17626 7.877286 2.917128       11.64232 
1 1 1 37 7  16 o 28.56604 7.752192 14.31073       7.059014      10.35048       5.685325      18.27806       12.92216      27.12713 8.989161 30.00494 12.63253 -2.877811      15.50438 
1 1 1 37 7  17 o 18.70619 6.126437 1.704535       5.370065      -2.402360      5.558513      5.810721       9.188620      15.15415 7.118255 22.25823 9.973133 -7.104076      12.25287 
1 1 1 37 8  0  o 28.36292 12.54015 13.75813       7.431659      13.75813       7.431659      13.75813       7.431659      28.36292 12.54015 28.36292 12.54015 0.000000       0.000000 
1 1 1 37 8  1  o 25.89792 6.626091 6.288927       5.319765      -3.672614      7.311223      16.25188       7.729208      17.55869 8.232209 34.23715 10.38513 -16.67846      13.25218 
1 1 1 37 8  2  o 54.35511 5.437468 34.21822       5.913447      33.31141       8.111773      35.13212       8.607689      53.77250 7.542678 54.93773 7.834043 -1.165222      10.87494 
1 1 1 37 8  3  f 23.71313 6.885048 4.726790       5.286468      6.682117       7.382068      2.771463       7.573349      25.22967 9.949641 22.19659 9.519464 3.033085       13.77010 
1 1 1 37 8  4  o 53.05037 5.608863 32.45417       5.702329      39.24114       8.168448      25.66721       7.955913      59.70018 6.841227 46.40056 8.890162 13.29962       11.21773 
1 1 1 37 8  5  o 30.56425 7.183674 11.62569       5.208537      14.22571       7.474166      9.032760       7.261631      33.43467 10.22652 27.69382 10.09153 5.740849       14.36735 
1 1 1 37 8  6  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 8  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 8  8  o 24.98184 6.535071 6.216664       4.786300      10.22296       5.865273      2.210370       7.566265      28.49621 9.118132 21.46746 9.364202 7.028749       13.07014 
1 1 1 37 8  9  o 29.92937 6.895048 12.12161       5.503962      0.8579351      5.577641      23.38599       9.486169      18.49294 8.053576 41.36581 11.19405 -22.87287      13.79010 
1 1 1 37 8  10 o 18.57047 6.012839 -1.562845      5.127774      -0.7828392     5.651320      -2.342850      8.558097      17.30215 7.784451 19.83878 9.166201 -2.536634      12.02568 
1 1 1 37 8  11 o 42.58894 6.606699 23.20180       5.652737      21.59361       6.222332      24.80998       9.436578      43.26522 7.190917 41.91267 11.08533 1.352547       13.21340 
1 1 1 37 8  12 o 19.33370 6.141412 0.2947868      5.110771      1.219954       5.662655      -0.6302387     8.508506      18.48973 8.082837 20.17766 9.248542 -1.687927      12.28282 
1 1 1 37 8  13 o 31.88514 5.900692 10.89599       5.406904      22.00451       6.171323      -0.2092767     8.876901      43.30653 7.125165 20.46374 9.407694 22.84279       11.80138 
1 1 1 37 8  14 o 18.91608 6.107948 0.5500419      5.151153      -0.7066098     5.831267      1.806552       8.494337      16.97869 7.736286 20.85347 9.453993 -3.874777      12.21590 
1 1 1 37 8  15 o 28.01577 7.030319 11.11561       5.555679      13.38265       6.070015      8.848563       9.309056      30.89418 9.169670 25.13735 10.65921 5.756832       14.06064 
1 1 1 37 8  16 o 21.40612 6.846226 5.391318       6.426365      1.834890       5.685325      8.947746       11.52651      18.16015 8.013063 24.65209 11.10289 -6.491941      13.69245 
1 1 1 37 9  0  o 19.74457 11.37897 6.347020       7.091603      6.347020       7.091603      6.347020       7.091603      19.74457 11.37897 19.74457 11.37897 0.000000       0.000000 
1 1 1 37 9  1  o 28.45332 7.076896 9.365732       5.231208      13.34015       7.297054      5.389901       7.502505      32.51092 10.13746 24.39572 9.877336 8.115202       14.15379 
1 1 1 37 9  2  o 25.69888 6.997351 6.810347       5.178074      8.983169       7.074599      4.641068       7.566265      27.59790 9.970110 23.79985 9.820823 3.798048       13.99470 
1 1 1 37 9  3  o 28.52553 9.080846 6.184076       10.96683      18.74563       18.20721      -6.377483      12.22079      35.05353 14.88757 21.99752 10.40227 13.05601       18.16169 
1 1 1 37 9  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 9  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 9  6  o 47.15108 6.018555 26.99910       5.466414      26.92825       7.679617      27.06994       7.785885      47.14297 8.451283 47.15919 8.571339 -0.1622772E-01 12.03711 
1 1 1 37 9  7  o 38.57877 6.576273 18.80231       5.025048      17.19412       7.083100      20.40341       7.127024      36.63005 9.565477 40.52750 9.027242 -3.897446      13.15255 
1 1 1 37 9  8  o 32.90143 6.856958 13.94233       4.840851      12.14286       6.733126      15.74180       6.957705      30.74370 9.762600 35.05917 9.631362 -4.315468      13.71392 
1 1 1 37 9  9  o 24.30781 6.666041 6.248545       4.755128      8.947746       6.703371      3.550052       6.746586      26.86641 9.705086 21.74922 9.140882 5.117189       13.33208 
1 1 1 37 9  10 o 17.57078 5.749070 -3.285091      4.859979      -8.883986      6.284676      2.312387       7.417490      14.01147 6.838004 21.13009 9.243859 -7.118615      11.49814 
1 1 1 37 9  11 o 25.94519 6.565387 8.062181       4.709787      2.301051       6.412906      13.82898       6.899612      20.08044 8.688436 31.80994 9.845217 -11.72951      13.13077 
1 1 1 37 9  12 o 19.49080 6.097239 0.5158946      4.905321      -2.669446      7.580434      3.701661       6.226583      18.10015 8.463598 20.88145 8.779111 -2.781294      12.19448 
1 1 1 37 9  13 o 21.33104 6.290596 4.043843       4.704120      -1.835599      5.707288      9.925409       7.481250      16.16809 7.476011 26.49399 10.11907 -10.32590      12.58119 
1 1 1 37 9  14 o 15.78178 5.389371 -4.748752      5.000961      -5.077474      5.256712      -4.419322      8.508506      13.71689 6.590799 17.84668 8.528931 -4.129787      10.77874 
1 1 1 37 9  15 o 16.95406 5.711036 -2.485957      5.261672      -3.920572      5.620856      -1.050634      8.898154      14.65847 6.987793 19.24965 9.035179 -4.591182      11.42207 
1 1 1 37 9  16 o 17.18779 5.759997 -1.896526      5.348811      -2.498709      6.346311      -1.295050      8.614774      15.94135 7.522247 18.43423 8.725026 -2.492882      11.51999 
1 1 1 37 10 0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 10 1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 10 2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 37 10 3  o 27.21411 11.19082 0.000000       0.000000      ?              ?             8.699788       9.790804      ?        ?        27.21411 11.19082 ?              ?        
1 1 1 37 10 4  o 43.50861 6.253175 23.40016       5.263088      21.37399       7.268716      25.42633       7.608772      41.38244 9.032157 45.63478 8.650372 -4.252335      12.50635 
1 1 1 37 10 5  o 17.51316 5.708409 -2.510045      4.658779      -2.568846      6.519173      -2.451952      6.656613      17.39179 8.022069 17.63453 8.123432 -0.2427464     11.41682 
1 1 1 37 10 6  o 23.74247 6.605341 5.420364       4.754420      8.657280       6.776341      2.185574       6.671490      26.74574 9.748259 20.73920 8.915917 6.006540       13.21068 
1 1 1 37 10 7  o 17.64657 5.729038 -2.248626      4.636108      -1.693200      6.577975      -2.803344      6.534760      17.99317 8.203405 17.29997 7.999478 0.6932068      11.45808 
1 1 1 37 10 8  o 24.30059 6.541682 6.195411       4.658779      10.49217       6.684951      1.895108       6.490126      28.46440 9.747441 20.13679 8.727075 8.327610       13.08336 
1 1 1 37 10 9  f 27.13090 5.628075 6.184784       4.628315      19.68787       6.717540      -7.318307      6.368981      39.55242 8.726117 14.70938 7.110260 24.84303       11.25615 
1 1 1 37 10 10 f 32.60561 6.891879 14.46659       4.846519      15.43008       6.943536      13.50309       6.762172      33.71799 9.746618 31.49323 9.746558 2.224760       13.78376 
1 1 1 37 10 11 o 24.04737 6.630485 6.909530       4.650278      8.380984       6.455412      5.438785       6.694869      25.44391 9.478803 22.65084 9.273922 2.793072       13.26097 
1 1 1 37 10 12 o 28.78938 7.150547 11.90199       5.270881      10.44258       8.168448      13.36848       6.661572      26.88712 10.50220 30.69164 9.706966 -3.804512      14.30109 
1 1 1 37 10 13 o 23.28222 6.602133 6.811764       4.676490      7.105771       6.703371      6.514922       6.523424      23.57505 9.422355 22.98939 9.250507 0.5856609      13.20427 
1 1 1 37 10 14 o 21.33366 6.225947 4.418614       4.571640      9.436578       6.752253      -0.6023257     6.164948      25.50795 9.650978 17.15937 7.868182 8.348577       12.45189 
1 1 1 37 10 15 o 20.09642 6.460216 2.911028       5.684617      -3.904986      6.530509      9.727042       9.309056      15.58034 7.452107 24.61250 10.55479 -9.032162      12.92043 
1 1 1 37 11 0  o 12.72679 8.734100 -2.354894      6.786968      -2.354894      6.786968      -2.354894      6.786968      12.72679 8.734100 12.72679 8.734100 0.000000       0.000000 
1 1 1 37 11 1  o 22.14836 6.507425 3.921989       4.762921      4.579432       6.693452      3.263837       6.777758      22.66558 9.275277 21.63113 9.129927 1.034452       13.01485 
1 1 1 37 11 2  o 34.83954 6.827844 15.60719       4.923739      15.78431       6.901029      15.43008       7.024299      35.11409 9.568054 34.56499 9.743210 0.5491028      13.65569 
1 1 1 37 11 3  o 22.72421 6.400861 3.491250       4.818181      9.401155       6.814599      -2.420071      6.812472      27.54636 9.801614 17.90205 8.234833 9.644306       12.80172 
1 1 1 37 11 4  o 39.53535 6.090098 19.51785       4.957746      28.42308       7.141194      10.60552       6.876233      50.18279 7.115183 28.88792 9.885916 21.29487       12.18020 
1 1 1 37 11 5  o 24.26062 6.718548 6.252087       4.776382      7.630026       6.731709      4.872023       6.777758      25.56517 9.646956 22.95606 9.353704 2.609116       13.43710 
1 1 1 37 11 6  f 24.80754 6.767060 7.022174       4.763630      6.086309       6.765715      7.955913       6.708330      23.89540 9.492970 25.71968 9.646551 -1.824280      13.53412 
1 1 1 37 11 7  f 18.49554 5.797481 -1.700284      4.621231      -8.147196      6.517048      4.746627       6.553887      14.62870 7.097208 22.36238 9.169119 -7.733676      11.59496 
1 1 1 37 11 8  o 23.21217 6.527766 5.710830       4.624773      8.253463       6.650945      3.169613       6.428492      25.61843 9.605869 20.80590 8.841618 4.812525       13.05553 
1 1 1 37 11 9  o 24.55544 6.619820 6.964789       4.733166      3.180240       6.691327      10.74721       6.696995      20.92557 8.960281 28.18531 9.746868 -7.259739      13.23964 
1 1 1 37 11 10 o 28.19502 6.679272 10.72596       4.643193      14.84915       6.708330      6.602063       6.422824      32.85007 9.607494 23.53997 9.281528 9.310104       13.35854 
1 1 1 37 11 11 o 28.85785 6.568365 11.43441       4.650278      6.249253       6.522716      16.61319       6.628983      22.94731 9.243199 34.76839 9.334717 -11.82108      13.13673 
1 1 1 37 11 12 o 15.11147 5.080037 -5.721456      4.371856      -10.60552      6.376066      -0.8366815     5.984292      13.24221 6.544005 16.98073 7.771943 -3.738523      10.16007 
1 1 1 37 11 13 o 19.34350 5.984999 1.372980       4.672239      -3.730707      6.585060      6.477375       6.630400      15.99365 7.597435 22.69335 9.249856 -6.699700      11.97000 
1 1 1 37 11 14 o 35.23074 6.865397 18.99359       5.114314      23.42850       7.467082      14.55160       6.992419      40.17678 9.442033 30.28469 9.969089 9.892096       13.73079 
1 1 1 37 12 0  o 27.37360 12.09719 12.38374       6.915907      12.38374       6.915907      12.38374       6.915907      27.37360 12.09719 27.37360 12.09719 0.000000       0.000000 
1 1 1 37 12 1  o 20.40586 6.232384 1.864645       4.691368      3.389941       6.648112      0.3384982      6.621190      21.54995 9.066317 19.26177 8.554083 2.288174       12.46477 
1 1 1 37 12 2  o 21.13119 6.246572 2.588683       4.622647      -1.509002      6.398028      6.686368       6.673616      17.79341 8.106441 24.46896 9.506013 -6.675549      12.49314 
1 1 1 37 12 3  o 28.00543 7.033366 10.06001       5.023631      12.29164       7.119940      7.821308       7.091603      30.39196 10.05958 25.61889 9.832490 4.773069       14.06673 
1 1 1 37 12 4  o 21.45090 6.296154 3.287925       4.610604      -0.1856852     6.506421      6.761464       6.534050      18.61633 8.365451 24.28547 9.411983 -5.669140      12.59231 
1 1 1 37 12 5  o 36.52174 6.533198 17.37124       4.812513      20.02793       6.862772      14.72163       6.749420      39.79335 8.854501 33.25014 9.608774 6.543209       13.06640 
1 1 1 37 12 6  o 19.70125 6.061551 1.544425       4.539759      3.815721       6.333559      -0.7275800     6.505004      21.26418 8.892669 18.13832 8.239542 3.125854       12.12310 
1 1 1 37 12 7  o 35.94317 6.631015 17.83882       5.256004      27.09119       8.026759      8.579351       6.789093      46.03278 9.040723 25.85356 9.702926 20.17922       13.26203 
1 1 1 37 12 8  o 29.55387 6.902702 12.06493       4.741668      11.39899       6.564514      12.73088       6.845061      28.84563 9.659237 30.26211 9.863485 -1.416483      13.80540 
1 1 1 37 12 9  o 19.01391 6.045295 0.4663738      4.867773      1.920613       6.492253      -0.9882903     7.254546      19.55302 8.600276 18.47481 8.498096 1.078217       12.09059 
1 1 1 37 12 10 o 19.82489 6.078418 2.451952       4.531966      4.954912       6.442660      -0.5048427E-01 6.374650      21.69069 9.013348 17.95910 8.157709 3.731598       12.15684 
1 1 1 37 12 11 o 24.40206 6.571230 6.381025       5.163197      0.3977248      8.040927      12.36248       6.477375      19.57925 8.981192 29.22486 9.594919 -9.645609      13.14246 
1 1 1 37 12 12 o 21.14409 6.261998 4.388858       4.609187      8.125941       6.620482      0.6493669      6.414322      24.15808 9.451044 18.13011 8.217556 6.027969       12.52400 
1 1 1 37 12 13 o 28.20596 6.999377 12.70254       4.901069      13.34723       6.899612      12.05785       6.963373      28.94512 9.902709 27.46679 9.894517 1.478331       13.99875 
1 1 1 37 13 0  o 11.39909 7.986840 -4.177740      6.458955      -4.177740      6.458955      -4.177740      6.458955      11.39909 7.986840 11.39909 7.986840 0.000000       0.000000 
1 1 1 37 13 1  o 19.31201 6.019672 0.7679617      4.624773      3.244001       6.467456      -1.708786      6.613398      20.91522 8.877541 17.70880 8.132347 3.206423       12.03934 
1 1 1 37 13 2  o 21.43441 5.903844 0.4164988      4.636108      11.66112       6.711873      -10.83223      6.396611      29.39602 9.767046 13.47280 6.635232 15.92321       11.80769 
1 1 1 37 13 3  o 29.07984 6.940542 11.43441       4.815347      10.41424       6.915907      12.45458       6.702662      27.85590 9.877973 30.30377 9.752442 -2.447872      13.88108 
1 1 1 37 13 4  o 19.34426 6.014506 0.9691621      4.593602      -2.094184      6.325766      4.033216       6.661572      17.07530 7.886016 21.61321 9.083385 -4.537909      12.02901 
1 1 1 37 13 5  f 21.34253 6.329599 3.572722       4.670823      0.5863855      6.554596      6.559555       6.657322      18.92378 8.452557 23.76127 9.423883 -4.837484      12.65920 
1 1 1 37 13 6  o 16.78199 5.511877 -2.491625      4.492292      -3.708745      6.139443      -1.273796      6.560264      15.85691 7.457800 17.70706 8.118150 -1.850149      11.02375 
1 1 1 37 13 7  o 17.20772 5.665278 -2.264920      4.738834      -2.125355      6.684242      -2.405194      6.718957      17.26357 8.023841 17.15187 7.999967 0.1116962      11.33056 
1 1 1 37 13 8  o 16.68412 5.500423 -2.515004      4.534091      -0.7051929     6.446911      -4.325098      6.377483      17.67778 8.080872 15.69046 7.464458 1.987320       11.00085 
1 1 1 37 13 9  o 18.20873 5.846279 0.1448784E-01  4.672948      1.270254       6.442660      -1.241207      6.770674      18.80085 8.389331 17.61661 8.144632 1.184242       11.69256 
1 1 1 37 13 10 o 30.47021 6.676099 13.49601       4.830225      7.665448       6.631108      19.32656       7.025717      23.91096 9.429868 37.02945 9.452978 -13.11849      13.35220 
1 1 1 37 13 11 o 17.06741 5.646402 -1.734998      4.806845      -1.409819      6.866314      -2.060886      6.728167      17.30327 8.077027 16.83154 7.892341 0.4717293      11.29280 
1 1 1 37 13 12 o 37.13473 6.595484 20.54510       5.006629      15.89766       7.045553      25.19963       7.112856      31.51446 9.984408 42.75500 8.620512 -11.24053      13.19097 
1 1 1 37 14 0  o 31.92229 11.55358 15.44425       6.749420      15.44425       6.749420      15.44425       6.749420      31.92229 11.55358 31.92229 11.55358 0.000000       0.000000 
1 1 1 37 14 1  o 28.19062 6.806635 10.76847       4.774965      7.012255       6.587893      14.53035       6.913073      24.04699 9.423629 32.33426 9.824273 -8.287268      13.61327 
1 1 1 37 14 2  o 53.88469 5.056932 34.28907       5.398402      28.52227       7.459997      40.04878       7.807138      48.74722 7.651716 59.02217 6.613734 -10.27496      10.11386 
1 1 1 37 14 3  o 39.30536 6.373671 20.75055       5.189409      13.01426       6.978250      28.48685       7.686701      30.30901 9.958985 48.30170 7.956968 -17.99269      12.74734 
1 1 1 37 14 4  o 22.15009 6.496567 5.107229       4.719706      5.394152       6.779175      4.820306       6.569473      22.44661 9.281487 21.85356 9.092607 0.5930443      12.99313 
1 1 1 37 14 5  o 17.68496 5.734921 -1.522463      4.695619      1.863228       6.547511      -4.907445      6.732417      19.46468 8.592587 15.90524 7.597678 3.559441       11.46984 
1 1 1 37 14 6  o 18.17210 5.926516 -1.028672      5.047719      -1.800176      7.474166      -0.2568138     6.785551      18.09379 8.438638 18.25042 8.323686 -0.1566219     11.85303 
1 1 1 37 14 7  o 32.17964 7.045362 15.24588       4.998127      14.21863       6.850020      16.28022       7.282885      31.18767 9.841202 33.17162 10.08461 -1.983950      14.09072 
1 1 1 37 14 8  o 22.68747 6.410916 5.616605       4.718997      10.52051       6.703371      0.7155363      6.643153      26.85754 9.704769 18.51740 8.379550 8.340139       12.82183 
1 1 1 37 14 9  f 17.79890 5.707270 -0.6320807     4.582266      3.537299       6.281133      -4.801886      6.673616      20.01409 8.628396 15.58372 7.472783 4.430368       11.41454 
1 1 1 37 14 10 o 24.90586 6.876083 9.450747       4.952786      9.422408       6.881192      9.486169       7.127024      24.90856 9.657675 24.90316 9.790374 0.5399704E-02  13.75217 
1 1 1 37 15 0  o 26.23435 11.96558 12.22788       6.772090      12.22788       6.772090      12.22788       6.772090      26.23435 11.96558 26.23435 11.96558 0.000000       0.000000 
1 1 1 37 15 1  o 27.07518 6.973902 10.51342       4.950661      8.586436       6.905988      12.44750       7.098687      25.08447 9.685540 29.06589 10.03651 -3.981415      13.94780 
1 1 1 37 15 2  o 20.64207 6.237300 2.611353       4.850060      -2.893317      6.663697      8.118857       7.049096      16.66368 7.820948 24.62046 9.718457 -7.956781      12.47460 
1 1 1 37 15 3  o 25.11751 6.855146 8.706873       4.891151      8.742295       6.847187      8.664365       6.986042      25.15772 9.659807 25.07730 9.729350 0.8041573E-01  13.71029 
1 1 1 37 15 4  o 37.49966 6.717657 19.90041       5.130608      15.64970       7.091603      24.15112       7.417490      32.60355 9.959138 42.39577 9.017938 -9.792221      13.43531 
1 1 1 37 15 5  o 30.72125 6.853431 13.86440       4.842268      10.23713       6.687077      17.48459       7.005171      26.59252 9.684678 34.84998 9.699746 -8.257456      13.70686 
1 1 1 37 15 6  o 16.13386 5.402921 -3.722206      4.678616      -6.255630      6.507129      -1.188782      6.723207      14.83373 7.173226 17.43399 8.081524 -2.600260      10.80584 
1 1 1 37 15 7  o 20.45515 6.250339 3.908529       4.686408      4.618397       6.641027      3.197951       6.614814      20.98874 8.954934 19.92156 8.722161 1.067177       12.50068 
1 1 1 37 15 8  o 25.65059 6.903647 9.840395       5.181617      12.80881       6.772090      6.870565       7.842561      28.56135 9.808631 22.73983 9.717621 5.821522       13.80729 
1 1 1 37 15 9  o 22.90409 6.703557 7.672533       5.041343      6.124566       7.029259      9.216957       7.226208      21.64065 9.222392 24.16754 9.731298 -2.526886      13.40711 
1 1 1 37 16 0  o 11.54358 8.105801 -3.846185      6.725333      -3.846185      6.725333      -3.846185      6.725333      11.54358 8.105801 11.54358 8.105801 0.000000       0.000000 
1 1 1 37 16 1  o 39.14941 6.713259 21.97617       5.287884      26.80782       7.615856      17.15162       7.339560      44.64511 8.843832 33.65371 10.10238 10.99140       13.42652 
1 1 1 37 16 2  o 28.21458 7.018551 12.16412       4.929408      12.51126       7.007296      11.81698       6.934327      28.56811 9.961353 27.86105 9.889977 0.7070541      14.03710 
1 1 1 37 16 3  f 15.87090 5.343232 -3.987875      4.691368      -5.607396      6.456830      -2.368354      6.806805      14.95209 7.213544 16.78971 7.884497 -1.837627      10.68646 
1 1 1 37 16 4  o 26.13741 6.950506 10.46383       4.960579      9.011506       6.893235      11.91616       7.134109      24.72388 9.649616 27.55094 10.00615 -2.827063      13.90101 
1 1 1 37 16 5  o 18.60017 5.913966 -0.6861355     5.002378      6.713289       7.029259      -8.083434      7.119940      22.49907 9.386076 14.70126 7.197330 7.797809       11.82793 
1 1 1 37 16 6  o 17.05889 5.633609 -2.480998      4.938617      -8.203872      6.967623      3.242584       7.000920      14.38691 7.065742 19.73087 8.776417 -5.343955      11.26722 
1 1 1 37 17 0  o 35.74013 11.83352 19.94292       7.495420      19.94292       7.495420      19.94292       7.495420      35.74013 11.83352 35.74013 11.83352 0.000000       0.000000 
1 1 1 37 17 1  o 32.60664 7.051872 17.37832       5.240418      12.63878       7.304138      22.11078       7.516674      27.35977 10.10448 37.85352 9.839465 -10.49375      14.10374 
1 1 1 38 0  0  f 21.39569 12.60043 6.491544       8.997337      6.491544       8.997337      6.491544       8.997337      21.39569 12.60043 21.39569 12.60043 0.000000       0.000000 
1 1 1 38 0  1  o 12.85892 8.753916 -1.944700      6.564514      -1.944700      6.564514      -1.944700      6.564514      12.85892 8.753916 12.85892 8.753916 0.000000       0.000000 
1 1 1 38 0  2  o 11.99951 8.342755 -3.960954      6.714706      -3.960954      6.714706      -3.960954      6.714706      11.99951 8.342755 11.99951 8.342755 0.000000       0.000000 
1 1 1 38 0  3  o 34.01483 17.81216 23.90316       15.76305      23.90316       15.76305      23.90316       15.76305      34.01483 17.81216 34.01483 17.81216 0.000000       0.000000 
1 1 1 38 0  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 0  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 0  6  o 16.47486 10.51007 2.877731       7.438744      2.877731       7.438744      2.877731       7.438744      16.47486 10.51007 16.47486 10.51007 0.000000       0.000000 
1 1 1 38 0  7  o 68.40250 5.861793 49.86084       7.906322      49.86084       7.906322      49.86084       7.906322      68.40250 5.861793 68.40250 5.861793 0.000000       0.000000 
1 1 1 38 0  8  o 17.57664 10.49804 4.691368       6.393069      4.691368       6.393069      4.691368       6.393069      17.57664 10.49804 17.57664 10.49804 0.000000       0.000000 
1 1 1 38 0  9  o 15.33755 9.777498 2.268463       6.427783      2.268463       6.427783      2.268463       6.427783      15.33755 9.777498 15.33755 9.777498 0.000000       0.000000 
1 1 1 38 0  10 o 51.07724 6.812088 28.40891       6.896778      28.40891       6.896778      28.40891       6.896778      51.07724 6.812088 51.07724 6.812088 0.000000       0.000000 
1 1 1 38 0  11 o 13.54583 8.942398 0.5780966      5.995627      0.5780966      5.995627      0.5780966      5.995627      13.54583 8.942398 13.54583 8.942398 0.000000       0.000000 
1 1 1 38 0  12 o 14.24209 9.181325 1.766170       5.853229      1.766170       5.853229      1.766170       5.853229      14.24209 9.181325 14.24209 9.181325 0.000000       0.000000 
1 1 1 38 0  13 o 24.15087 11.61950 10.52759       6.444786      10.52759       6.444786      10.52759       6.444786      24.15087 11.61950 24.15087 11.61950 0.000000       0.000000 
1 1 1 38 0  14 o 18.34261 10.51551 6.169907       6.020423      6.169907       6.020423      6.169907       6.020423      18.34261 10.51551 18.34261 10.51551 0.000000       0.000000 
1 1 1 38 0  15 o 12.88689 8.832402 -1.230581      6.891819      -1.230581      6.891819      -1.230581      6.891819      12.88689 8.832402 12.88689 8.832402 0.000000       0.000000 
1 1 1 38 0  16 o 13.91497 9.356180 0.7176617      7.148279      0.7176617      7.148279      0.7176617      7.148279      13.91497 9.356180 13.91497 9.356180 0.000000       0.000000 
1 1 1 38 1  0  o 12.73358 8.736382 -2.592225      6.780592      -2.592225      6.780592      -2.592225      6.780592      12.73358 8.736382 12.73358 8.736382 0.000000       0.000000 
1 1 1 38 1  1  o 21.19965 6.205780 1.923447       4.585100      6.726750       6.583642      -2.880565      6.383151      25.09874 9.519859 17.30057 7.963611 7.798166       12.41156 
1 1 1 38 1  2  o 24.81781 7.152482 2.148734       6.477375      -6.769256      9.918325      11.06602       8.331393      19.77903 9.361702 29.85659 10.81622 -10.07757      14.30496 
1 1 1 38 1  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 1  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 1  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 1  6  o 43.07032 6.156919 23.12387       5.207120      30.81765       7.445828      15.43716       7.282885      52.00739 7.158433 34.13324 10.01935 17.87415       12.31384 
1 1 1 38 1  7  o 18.57106 5.872085 -1.137774      4.631149      2.803344       6.628275      -5.078891      6.468873      21.11466 8.975544 16.02746 7.573978 5.087208       11.74417 
1 1 1 38 1  8  o 60.67348 4.382360 40.47385       5.306304      36.81115       7.374983      44.12946       7.637110      57.76081 6.384071 63.58614 6.005327 -5.825321      8.764720 
1 1 1 38 1  9  o 19.24253 5.937715 1.163278       4.307387      1.477830       6.114647      0.8487253      6.067889      19.50230 8.461746 18.98277 8.332147 0.5195293      11.87543 
1 1 1 38 1  10 o 17.99987 5.736061 -0.4496544     4.361229      -0.9521592     6.036717      0.5295677E-01  6.296011      17.51508 7.951364 18.48467 8.269547 -0.9695873     11.47212 
1 1 1 38 1  11 o 22.82475 6.450066 5.624399       4.443409      5.788051       6.371107      5.461455       6.194703      23.02379 9.191401 22.62571 9.051603 0.3980789      12.90013 
1 1 1 38 1  12 o 17.15094 5.528589 -1.631564      4.284717      1.686824       6.036009      -4.949953      6.082767      19.10723 8.348974 15.19464 7.249540 3.912592       11.05718 
1 1 1 38 1  13 o 24.94215 6.704441 8.295970       4.636108      8.933578       6.993836      7.665448       6.088435      25.57919 9.779751 24.30511 9.173582 1.274071       13.40888 
1 1 1 38 1  14 o 24.53582 6.369764 7.814223       4.305262      11.53359       6.172740      4.097685       6.004128      28.49249 9.366575 20.57915 8.634976 7.913338       12.73953 
1 1 1 38 1  15 o 19.36028 6.067028 2.224539       4.711204      -0.7134110     6.164948      5.163197       7.127024      17.03912 7.836130 21.68143 9.264468 -4.642315      12.13406 
1 1 1 38 1  16 o 16.70742 5.460880 -2.197617      4.573056      -7.098687      6.948495      2.704161       5.947453      14.70869 7.180392 18.70614 8.229630 -3.997452      10.92176 
1 1 1 38 2  0  f 18.15949 11.27507 4.267005       7.977167      4.267005       7.977167      4.267005       7.977167      18.15949 11.27507 18.15949 11.27507 0.000000       0.000000 
1 1 1 38 2  1  o 23.07972 7.401456 -0.4055887     7.431659      1.341099       10.77555      -2.152277      10.23713      24.14370 10.80945 22.01574 10.11346 2.127968       14.80291 
1 1 1 38 2  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 2  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 2  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 2  5  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 2  6  o 17.73145 5.729324 -2.029714      4.609187      -0.1824972E-01 6.330725      -4.040300      6.699829      18.66766 8.323392 16.79525 7.875390 1.872408       11.45865 
1 1 1 38 2  7  o 30.70583 6.766830 12.06493       4.718289      8.813140       6.510672      15.31673       6.830184      26.83568 9.577356 34.57597 9.562122 -7.740295      13.53366 
1 1 1 38 2  8  o 25.79743 6.180590 6.704788       4.495126      14.62245       6.604187      -1.211452      6.099770      33.91235 9.411265 17.68251 8.014166 16.22984       12.36118 
1 1 1 38 2  9  o 16.65589 5.463124 -3.119313      4.371856      -5.550720      6.083476      -0.6874816     6.279717      15.18402 7.245781 18.12776 8.178115 -2.943741      10.92625 
1 1 1 38 2  10 o 26.47807 6.622161 8.954830       4.393818      8.281801       6.107563      9.627860       6.318681      25.71211 9.266153 27.24402 9.463111 -1.531904      13.24432 
1 1 1 38 2  11 o 27.07895 6.523355 9.472000       4.321556      11.44858       5.933284      7.488335       6.284676      29.47740 9.131096 24.68050 9.318783 4.796898       13.04671 
1 1 1 38 2  12 o 20.97610 6.266543 3.360895       4.633275      5.450828       6.224457      1.270962       6.864897      22.38907 9.024820 19.56313 8.696600 2.825943       12.53309 
1 1 1 38 2  13 o 22.73080 6.399254 6.075682       4.406570      4.763630       6.296011      7.389152       6.167073      21.50438 8.921444 23.95722 9.176581 -2.452839      12.79851 
1 1 1 38 2  14 o 35.03555 7.447667 18.77397       5.679658      17.00993       8.133026      20.53802       7.927575      32.89272 10.75147 37.17839 10.30906 -4.285664      14.89533 
1 1 1 38 2  15 o 18.38892 5.572669 -1.086765      4.391693      6.690619       5.552845      -8.862731      6.805388      22.57929 8.691877 14.19855 6.976375 8.380739       11.14534 
1 1 1 38 2  16 o 23.14990 6.580111 7.828392       4.805429      8.005506       5.759005      7.651280       7.693786      23.40920 8.896476 22.89060 9.697637 0.5186005      13.16022 
1 1 1 38 3  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 3  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 3  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 3  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 3  4  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 3  5  o 21.75626 6.480321 3.222039       4.906737      1.446658       7.417490      4.996710       6.422115      20.78601 9.164667 22.72651 9.164448 -1.940493      12.96064 
1 1 1 38 3  6  o 24.15483 6.610178 6.277591       4.608479      3.948202       6.268381      8.607689       6.757921      21.74671 8.950387 26.56295 9.729770 -4.816246      13.22036 
1 1 1 38 3  7  o 50.58341 5.144046 29.57786       4.954912      37.00952       7.176617      22.13912       6.834435      58.08915 6.177244 43.07767 8.227180 15.01147       10.28809 
1 1 1 38 3  8  o 28.69828 6.719209 10.37173       4.576599      7.778800       6.385984      12.95758       6.558138      25.63987 9.451728 31.75670 9.552796 -6.116835      13.43842 
1 1 1 38 3  9  o 22.51729 6.355483 4.798344       4.426406      7.332476       6.223041      2.264212       6.296011      24.85604 9.297320 20.17854 8.667668 4.677496       12.71097 
1 1 1 38 3  10 o 27.27501 6.611594 9.663282       4.389567      7.630026       6.021840      11.69654       6.388110      24.90326 9.178476 29.64675 9.518839 -4.743492      13.22319 
1 1 1 38 3  11 o 19.12804 5.835804 0.7091602      4.333600      -4.133816      6.051595      5.552845       6.204620      15.60408 7.357921 22.65199 9.060210 -7.047913      11.67161 
1 1 1 38 3  12 o 43.70117 6.781168 25.60345       5.938951      28.38058       6.790511      22.81923       9.748297      49.33051 6.882668 38.07183 11.68614 11.25867       13.56234 
1 1 1 38 3  13 o 27.19464 6.017810 7.927575       4.783466      16.45025       5.848978      -0.5899278     7.573349      35.57971 8.353348 18.80958 8.664740 16.77013       12.03562 
1 1 1 38 3  14 o 19.97659 6.319484 2.036799       5.214913      3.960245       7.608772      0.1135648      7.134109      21.32673 9.345833 18.62646 8.508757 2.700266       12.63897 
1 1 1 38 3  15 o 16.01138 5.353502 -3.380732      4.635400      -1.317012      5.764672      -5.444452      7.261631      16.14917 7.484926 15.87358 7.656096 0.2755871      10.70700 
1 1 1 38 4  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 4  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 4  2  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 4  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 4  4  o 29.55575 7.163817 11.53359       5.126357      10.02459       6.850729      13.04260       7.630026      27.98252 9.840543 31.12898 10.41368 -3.146461      14.32763 
1 1 1 38 4  5  o 17.57837 5.650086 -3.049885      4.570931      2.532715       6.545386      -8.636027      6.382442      20.78167 8.879140 14.37507 6.989620 6.406597       11.30017 
1 1 1 38 4  6  o 58.26264 4.553040 37.76756       5.260254      44.06570       7.601687      31.46235       7.275800      63.53759 5.982040 52.98769 6.865556 10.54990       9.106079 
1 1 1 38 4  7  o 25.22670 6.651036 7.346645       4.497252      7.346645       6.249253      7.346645       6.469582      25.19232 9.337905 25.26109 9.473577 -0.6876945E-01 13.30207 
1 1 1 38 4  8  o 29.32573 6.474928 10.70471       4.518506      5.968707       6.441952      15.44425       6.337809      23.66052 9.306011 34.99094 9.005383 -11.33042      12.94986 
1 1 1 38 4  9  o 18.07536 5.800320 -1.133523      4.632566      0.3618772      5.910613      -2.628356      7.134109      18.25353 8.097236 17.89718 8.307201 0.3563576      11.60064 
1 1 1 38 4  10 o 18.72391 5.660203 -1.892275      4.460413      6.178408       5.817806      -9.960832      6.762880      23.18255 8.903349 14.26526 6.991566 8.917292       11.32041 
1 1 1 38 4  11 o 27.25484 6.530100 9.216957       4.684283      12.42624       5.582600      6.006254       7.523758      30.94229 8.674354 23.56740 9.763423 7.374895       13.06020 
1 1 1 38 4  12 o 30.81514 6.793832 13.21971       4.838726      14.82790       6.004128      11.60444       7.587519      33.39395 8.846940 28.23632 10.31292 5.157633       13.58766 
1 1 1 38 4  13 o 24.56775 6.765557 8.260548       4.857145      4.585808       5.924782      11.93033       7.700871      21.02582 8.684422 28.10968 10.37651 -7.083864      13.53111 
1 1 1 38 4  14 o 22.08863 6.646179 5.307012       5.183033      3.008086       7.112856      7.608772       7.537927      20.30157 8.959743 23.87570 9.818849 -3.574129      13.29236 
1 1 1 38 4  15 o 23.08867 6.656645 7.219123       4.963413      8.919409       6.597104      5.521673       7.417490      24.49121 9.464391 21.68612 9.363173 2.805096       13.31329 
1 1 1 38 5  0  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 5  1  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 38 5  2  o 31.51720 7.264949 13.77230       5.805054      23.45684       9.521592      4.095560       6.643153      40.94423 11.27538 22.09018 9.164258 18.85405       14.52990 
1 1 1 38 5  3  f 36.98856 6.196074 17.17996       4.845810      10.25838       6.786968      24.10861       6.919449      28.28919 9.809298 45.68792 7.572515 -17.39872      12.39215 
1 1 1 38 5  4  o 24.08624 6.444233 6.038135       4.465372      2.298926       6.225166      9.776634       6.402987      20.30313 8.666456 27.86934 9.539660 -7.566219      12.88847 
1 1 1 38 5  5  o 29.56235 6.775897 11.09435       4.624065      12.82298       6.558138      9.365732       6.519882      31.65118 9.559187 27.47352 9.605886 4.177662       13.55179 
1 1 1 38 5  6  o 22.17967 6.553673 3.778173       4.900361      1.027255       6.253504      6.529091       7.545012      19.43047 8.494073 24.92887 9.982648 -5.498407      13.10735 
1 1 1 38 5  7  o 18.37739 5.777896 -1.912820      4.628315      3.093101       5.836935      -6.918740      7.183701      20.58308 8.567761 16.17171 7.754342 4.411371       11.55579 
1 1 1 38 5  8  o 22.18112 6.362221 4.048802       4.641777      6.402987       5.639985      1.693908       7.374983      23.61038 8.847160 20.75186 9.145446 2.858524       12.72444 
1 1 1 38 5  9  o 18.09656 5.741107 -1.431781      4.592185      2.422905       5.644236      -5.287176      7.247461      19.49561 8.284779 16.69751 7.950073 2.798105       11.48221 
1 1 1 38 5  10 o 45.07133 5.935482 25.46176       5.021506      33.60187       6.332142      17.32165       7.792970      55.10671 5.745346 35.03594 10.38801 20.07077       11.87096 
1 1 1 38 5  11 o 21.36852 6.461591 3.288633       5.175241      4.859979       5.798677      1.717287       8.572267      21.56419 8.703089 21.17284 9.553267 0.3913441      12.92318 
1 1 1 38 5  12 f 19.02300 5.987561 1.511128       4.619106      0.6656613      5.664781      2.357019       7.297054      17.70615 7.884661 20.33985 9.013084 -2.633703      11.97512 
1 1 1 38 5  13 o 21.61243 6.337542 5.222707       4.510004      3.849727       5.585434      6.596395       7.081684      20.07726 8.370687 23.14759 9.517842 -3.070324      12.67508 
1 1 1 38 5  14 o 19.20308 6.113787 1.700284       4.940743      1.373688       6.692744      2.027589       7.268716      18.78379 8.460109 19.62237 8.828369 -0.8385792     12.22757 
1 1 1 38 5  15 o 16.01709 5.364809 -2.385357      4.544010      -5.369356      5.637151      0.5983584      7.127024      13.78491 6.667852 18.24927 8.406216 -4.464355      10.72962 
1 1 1 38 6  0  o 12.31614 8.418844 -1.918487      6.172032      -1.918487      6.172032      -1.918487      6.172032      12.31614 8.418844 12.31614 8.418844 0.000000       0.000000 
1 1 1 38 6  1  o 38.81587 6.006495 18.66770       4.726081      11.71779       6.558846      25.61762       6.805388      30.14609 9.641797 47.48565 7.165730 -17.33956      12.01299 
1 1 1 38 6  2  f 23.80202 5.674479 1.497667       4.560304      -12.16412      6.309471      15.16087       6.586476      13.07947 6.474733 34.52457 9.320767 -21.44510      11.34896 
1 1 1 38 6  3  o 38.70903 6.360555 19.38324       5.318347      9.061099       6.677158      29.70539       8.281801      27.12496 9.697192 50.29310 8.233536 -23.16815      12.72111 
1 1 1 38 6  4  o 22.20251 6.325327 3.348852       4.666572      7.066098       5.860313      -0.3689617     7.261631      24.78046 9.062177 19.62457 8.827004 5.155890       12.65065 
1 1 1 38 6  5  o 40.32018 6.417761 20.27589       5.105103      17.85299       6.198953      22.69880       8.111773      38.48390 8.290854 42.15646 9.798592 -3.672565      12.83552 
1 1 1 38 6  6  o 16.04269 5.310336 -6.072140      4.563138      -0.2617021     6.003421      -11.88074      6.874108      18.11317 8.089957 13.97221 6.881225 4.140965       10.62067 
1 1 1 38 6  7  o 26.70248 6.380701 7.141194       4.922323      14.09819       6.092685      0.1909278      7.736294      33.24456 8.959797 20.16040 9.087101 13.08416       12.76140 
1 1 1 38 6  8  o 19.31325 5.993656 1.327639       4.494419      1.535215       5.567014      1.120771       7.056888      18.69549 8.092254 19.93100 8.843702 -1.235512      11.98731 
1 1 1 38 6  9  o 35.12030 6.566065 16.29439       4.723248      15.52926       5.921948      17.06660       7.360813      34.98391 8.529088 35.25669 9.985365 -0.2727852     13.13213 
1 1 1 38 6  10 o 30.24637 5.045075 7.729208       4.715455      23.10261       5.972957      -7.637110      7.297054      44.82914 6.661913 15.66359 7.578261 29.16555       10.09015 
1 1 1 38 6  11 o 20.27702 6.286164 2.415112       5.079599      3.157570       5.508212      1.672655       8.536844      19.62920 8.255112 20.92483 9.482435 -1.295633      12.57233 
1 1 1 38 6  12 o 24.10124 6.462605 7.615856       4.607770      1.095975       5.372899      14.14070       7.488335      17.64234 7.786510 30.56013 10.31655 -12.91780      12.92521 
1 1 1 38 6  13 o 21.06588 6.402478 4.242918       4.873440      2.706994       6.637485      5.778841       7.134109      19.79210 8.700741 22.33966 9.394892 -2.547558      12.80496 
1 1 1 38 6  14 o 18.86504 5.976253 2.179198       4.661613      -1.030089      5.559929      5.388484       7.481250      16.03260 7.400186 21.69748 9.386142 -5.664885      11.95251 
1 1 1 38 7  0  o 15.40303 9.888871 2.039633       6.684951      2.039633       6.684951      2.039633       6.684951      15.40303 9.888871 15.40303 9.888871 0.000000       0.000000 
1 1 1 38 7  1  o 16.74795 5.565505 -12.92925      5.683200      1.032923       6.798304      -26.89283      9.110690      20.04701 8.809199 13.44889 6.804217 6.598118       11.13101 
1 1 1 38 7  2  o 48.90753 5.168014 27.15496       5.050553      26.72989       6.410071      27.58003       7.807138      49.11674 6.525343 48.69832 8.015820 0.4184227      10.33603 
1 1 1 38 7  3  o 35.43647 6.772054 16.03226       5.021506      16.25897       6.008380      15.80556       8.048012      36.61641 8.381524 34.25653 10.63922 2.359882       13.54411 
1 1 1 38 7  4  o 41.34628 5.891438 21.60069       4.959870      11.59735       5.746252      31.59695       8.083434      30.44227 8.888267 52.25030 7.735301 -21.80803      11.78288 
1 1 1 38 7  5  o 54.53512 4.824832 33.95610       5.328974      26.94951       6.436285      40.95560       8.494337      49.08548 6.556201 59.98476 7.080413 -10.89928      9.649664 
1 1 1 38 7  6  o 26.65721 6.660373 8.898154       4.864230      1.595433       5.802928      16.19521       7.807138      19.09034 8.262534 34.22408 10.44858 -15.13374      13.32075 
1 1 1 38 7  7  o 44.50662 5.975622 24.77456       5.191535      20.01376       6.246420      29.53536       8.295970      40.54726 7.987108 48.46598 8.890351 -7.918716      11.95124 
1 1 1 38 7  8  o 22.93310 6.497759 5.731375       4.642484      1.752001       5.611646      9.712874       7.396237      18.84351 8.140045 27.02268 10.13031 -8.179174      12.99552 
1 1 1 38 7  9  o 18.54798 5.769324 -0.8380985     4.563138      4.045968       5.595352      -5.722874      7.212039      20.75389 8.484575 16.34207 7.820000 4.411825       11.53865 
1 1 1 38 7  10 o 17.87828 5.729962 -0.5769632     4.527715      1.204368       5.589684      -2.358436      7.127024      18.13976 7.979373 17.61681 8.225538 0.5229530      11.45992 
1 1 1 38 7  11 o 30.20621 6.919847 13.28347       4.854311      11.88782       5.759005      14.67912       7.814223      29.44776 8.970725 30.96466 10.53865 -1.516907      13.83969 
1 1 1 38 7  12 o 15.73441 5.301578 -3.964496      4.550386      -6.576558      5.666197      -1.352434      7.119940      13.63554 6.616105 17.83327 8.285774 -4.197728      10.60316 
1 1 1 38 7  13 o 26.18512 6.802288 10.37882       4.717580      7.849646       5.786633      12.90799       7.452912      23.85599 8.957036 28.51424 10.23992 -4.658251      13.60458 
1 1 1 38 7  14 f 19.26431 6.018141 1.727206       4.840142      -5.270881      6.320807      8.728126       7.332476      14.67074 7.090158 23.85787 9.726342 -9.187136      12.03628 
1 1 1 38 8  0  o 16.36357 10.17725 3.424656       6.520590      3.424656       6.520590      3.424656       6.520590      16.36357 10.17725 16.36357 10.17725 0.000000       0.000000 
1 1 1 38 8  1  o 24.14625 6.136189 4.091309       4.692785      -5.647778      6.458246      13.82898       6.811056      15.71063 7.489575 32.58187 9.722012 -16.87123      12.27238 
1 1 1 38 8  2  o 21.13971 6.298217 2.915988       4.618397      0.5013713      6.410780      5.331100       6.649529      19.10369 8.458864 23.17573 9.333690 -4.072039      12.59643 
1 1 1 38 8  3  f 28.42963 6.798913 10.32923       4.699161      7.807138       6.706204      12.85840       6.584351      25.52032 9.629067 31.33894 9.601141 -5.818619      13.59783 
1 1 1 38 8  4  o 29.21880 6.368639 10.49926       4.605645      16.70529       6.376774      4.301011       6.647403      36.34536 8.844069 22.09224 9.166280 14.25313       12.73728 
1 1 1 38 8  5  o 34.80186 6.532188 16.01101       4.828807      10.57010       6.674324      21.44484       6.980375      28.25333 9.734212 41.35039 8.713383 -13.09706      13.06438 
1 1 1 38 8  6  o 28.08057 6.768472 10.46383       4.566680      9.847479       6.418573      11.08727       6.497211      27.36187 9.534391 28.79927 9.609591 -1.437395      13.53694 
1 1 1 38 8  7  o 30.40752 6.066774 11.32814       4.558179      18.50476       5.908488      4.155778       6.943536      38.92700 7.864468 21.88805 9.239758 17.03896       12.13355 
1 1 1 38 8  8  o 16.17113 5.401336 -3.658445      4.538342      -5.637151      5.604562      -1.679739      7.141194      14.19454 6.816668 18.14772 8.380381 -3.953183      10.80267 
1 1 1 38 8  9  o 19.45228 6.020227 1.996417       4.505753      2.256419       5.686034      1.737124       6.991002      19.05875 8.212928 19.84581 8.804564 -0.7870579     12.04045 
1 1 1 38 8  10 o 33.87138 6.582667 18.14345       5.561347      3.008795       5.489084      33.27598       9.670367      19.36756 8.197430 48.37519 10.30185 -29.00763      13.16533 
1 1 1 38 8  11 o 25.98487 6.118603 7.346645       4.717580      15.13961       5.942493      -0.4465372     7.325392      33.44225 8.774741 18.52749 8.529544 14.91475       12.23721 
1 1 1 38 8  12 o 16.32935 5.418298 -3.591142      4.692785      0.2149443      5.848978      -7.396237      7.339560      17.29373 7.842312 15.36498 7.478633 1.928745       10.83660 
1 1 1 38 8  13 o 16.35186 5.283615 -5.070390      4.548261      4.142318       5.730666      -14.28239      7.065390      19.84606 8.386714 12.85765 6.428792 6.988409       10.56723 
1 1 1 38 9  0  o 15.19092 9.686527 2.347101       6.312305      2.347101       6.312305      2.347101       6.312305      15.19092 9.686527 15.19092 9.686527 0.000000       0.000000 
1 1 1 38 9  1  o 22.74062 6.414688 5.166739       4.486625      7.523758       6.335684      2.809720       6.354104      24.93126 9.370049 20.54998 8.763280 4.381281       12.82938 
1 1 1 38 9  2  o 25.68009 6.208616 6.731709       4.629732      -1.835599      6.368274      15.29548       6.721082      17.37236 7.978839 33.98782 9.514503 -16.61546      12.41723 
1 1 1 38 9  3  o 18.93207 5.862554 -0.3419697     4.531966      5.185867       6.473125      -5.870231      6.344185      22.58691 9.162498 15.27723 7.316199 7.309680       11.72511 
1 1 1 38 9  4  o 28.16721 6.690432 10.34340       4.709079      5.635026       6.444786      15.04752       6.867732      22.94405 9.210196 33.39036 9.706689 -10.44631      13.38086 
1 1 1 38 9  5  o 23.89811 6.233651 5.416114       4.563846      -2.155110      6.213830      12.98592       6.686368      16.90175 7.809703 30.89447 9.718135 -13.99272      12.46730 
1 1 1 38 9  6  o 21.39688 6.148771 3.299968       4.475290      -1.772546      6.368274      8.373900       6.290343      17.25733 7.948103 25.53644 9.383880 -8.279108      12.29754 
1 1 1 38 9  7  o 31.23973 6.429817 13.17720       4.733166      5.975791       6.451871      20.37507       6.927242      22.96248 9.216228 39.51698 8.968350 -16.55450      12.85963 
1 1 1 38 9  8  o 19.03851 5.979549 1.307094       4.559595      1.786715       6.348436      0.8267632      6.546803      19.27888 8.491947 18.79813 8.420623 0.4807491      11.95910 
1 1 1 38 9  9  o 22.51372 6.542950 5.810013       4.738834      5.503253       6.764297      6.116773       6.638193      22.27787 9.245111 22.74957 9.261140 -0.4716969     13.08590 
1 1 1 38 9  10 o 22.03728 6.531209 4.862813       5.016547      7.495420       6.633943      2.232332       7.530843      23.85584 9.424361 20.21871 9.044788 3.637138       13.06242 
1 1 1 38 9  11 o 17.15274 5.617247 -1.380064      4.617689      0.5724999      6.495085      -3.333266      6.565223      18.16963 8.248299 16.13586 7.627544 2.033766       11.23449 
1 1 1 38 9  12 o 20.01656 6.159972 0.8798972      5.252461      -6.568057      8.019674      8.331393       6.781301      16.14112 7.844132 23.89201 9.500031 -7.750895      12.31994 
1 1 1 38 10 0  o 45.26030 9.045825 24.83832       7.275800      24.83832       7.275800      24.83832       7.275800      45.26030 9.045825 45.26030 9.045825 0.000000       0.000000 
1 1 1 38 10 1  o 17.16660 5.547738 -2.005627      4.353436      -5.443035      6.188326      1.431073       6.125983      15.19835 7.265773 19.13486 8.385591 -3.936513      11.09548 
1 1 1 38 10 2  o 19.24145 5.995186 1.012378       4.558887      -1.165403      6.374650      3.190158       6.519882      17.66862 8.060869 20.81428 8.876451 -3.145662      11.99037 
1 1 1 38 10 3  o 26.55519 6.270436 8.210957       4.550386      1.001751       6.371107      15.42300       6.499337      19.03302 8.429461 34.07736 9.285347 -15.04434      12.54087 
1 1 1 38 10 4  f 25.06145 6.562802 7.155363       4.801178      13.05677       6.892527      1.261044       6.686368      30.65443 9.892035 19.46848 8.627232 11.18596       13.12560 
1 1 1 38 10 5  o 28.12838 6.847359 10.85348       4.701995      9.273635       6.679283      12.44041       6.620482      26.30692 9.669381 29.94984 9.697854 -3.642923      13.69472 
1 1 1 38 10 6  o 18.62876 5.880183 0.8239294      4.481666      0.8140112      6.513506      0.8338477      6.157155      18.79984 8.410841 18.45769 8.219729 0.3421516      11.76037 
1 1 1 38 10 7  o 18.39369 5.758112 -0.2607811     4.458287      -5.379983      6.387401      4.858562       6.221623      15.24253 7.309562 21.54485 8.899087 -6.302312      11.51622 
1 1 1 38 10 8  o 23.21424 6.577143 6.667239       4.661613      7.856731       6.609147      5.477749       6.575850      24.30658 9.456478 22.12189 9.143866 2.184694       13.15429 
1 1 1 38 10 9  o 19.03345 6.018143 -0.8480168     5.100144      6.094102       7.020049      -7.792970      7.403321      22.65342 9.410683 15.41347 7.504081 7.239947       12.03629 
1 1 1 38 10 10 o 19.69199 6.085809 2.326556       4.690660      -1.684698      6.498628      6.338518       6.765715      16.85713 7.864515 22.52684 9.289655 -5.669712      12.17162 
1 1 1 38 10 11 o 18.87849 5.999466 1.890858       4.755128      2.867813       6.813890      0.9139028      6.635359      19.55692 8.682349 18.20007 8.281981 1.356846       11.99893 
1 1 1 38 11 0  o 12.81100 8.700305 -1.098100      6.431325      -1.098100      6.431325      -1.098100      6.431325      12.81100 8.700305 12.81100 8.700305 0.000000       0.000000 
1 1 1 38 11 1  o 21.42402 6.291812 3.927657       4.586517      1.010961       6.616940      6.843644       6.351979      19.12020 8.517755 23.72785 9.262586 -4.607651      12.58362 
1 1 1 38 11 2  o 26.20481 6.776430 9.238212       4.660196      10.44258       6.650237      8.033843       6.530509      27.48967 9.692606 24.91995 9.472771 2.569721       13.55286 
1 1 1 38 11 3  o 19.51073 5.873890 -0.1955327     4.609187      7.984251       6.562388      -8.373900      6.473125      24.78510 9.474123 14.23636 6.946318 10.54874       11.74778 
1 1 1 38 11 4  o 23.94864 5.994258 4.361938       4.663738      -6.774216      6.383859      15.50093       6.800429      14.68034 7.100070 33.21693 9.659893 -18.53659      11.98852 
1 1 1 38 11 5  o 16.15979 5.371315 -3.783132      4.505753      -7.566265      6.317265      0.2152985E-02  6.425658      14.25703 6.939018 18.06255 8.200862 -3.805520      10.74263 
1 1 1 38 11 6  o 23.39650 6.516622 6.788385       4.568097      9.436578       6.631108      4.136650       6.284676      25.94744 9.618736 20.84555 8.794621 5.101896       13.03324 
1 1 1 38 11 7  o 27.22904 6.796012 10.67637       4.632566      9.642029       6.597104      11.70362       6.505713      26.04455 9.606130 28.41353 9.615891 -2.368982      13.59202 
1 1 1 38 11 8  o 16.68969 5.515175 -2.132440      4.584392      -1.591183      6.537593      -2.673697      6.427783      17.03634 7.924825 16.34303 7.672404 0.6933022      11.03035 
1 1 1 38 11 9  o 17.02217 5.671940 -2.427156      4.999545      -5.192952      6.587893      0.3384274      7.523758      15.25830 7.342830 18.78605 8.646760 -3.527751      11.34388 
1 1 1 38 11 10 f 21.22087 6.384845 5.035675       4.867064      2.217454       6.961956      7.856731       6.803263      19.13908 8.623893 23.30265 9.417722 -4.163578      12.76969 
1 1 1 38 12 0  o 25.70234 11.92029 11.84531       6.733834      11.84531       6.733834      11.84531       6.733834      25.70234 11.92029 25.70234 11.92029 0.000000       0.000000 
1 1 1 38 12 1  o 20.60281 6.239519 2.850810       4.783466      -1.354560      6.709038      7.056180       6.820265      17.54668 8.110460 23.65895 9.484029 -6.112265      12.47904 
1 1 1 38 12 2  o 30.13562 6.897350 13.13470       4.780632      14.50909       6.696286      11.76030       6.825224      31.83015 9.668589 28.44109 9.839315 3.389053       13.79470 
1 1 1 38 12 3  o 17.52233 5.699776 -0.9571185     4.597852      0.8288886E-01  6.505713      -1.997126      6.500045      18.11876 8.233142 16.92590 7.884489 1.192863       11.39955 
1 1 1 38 12 4  o 32.74251 6.546754 15.34507       4.919489      22.70588       7.183701      7.984251       6.721791      41.11511 8.983800 24.36991 9.525296 16.74520       13.09351 
1 1 1 38 12 5  o 15.07730 5.110836 -6.641736      4.553928      -0.9195704     6.458246      -12.36248      6.421407      17.39210 8.007668 12.76249 6.352937 4.629604       10.22167 
1 1 1 38 12 6  o 15.40664 5.198829 -4.714038      4.533383      -6.428492      6.478083      -3.000293      6.342061      14.73390 7.130522 16.07936 7.567493 -1.345460      10.39766 
1 1 1 38 12 7  o 16.59197 5.461894 -2.562470      4.534800      1.863937       6.490835      -6.988877      6.334976      18.91384 8.430718 14.27010 6.946376 4.643737       10.92379 
1 1 1 38 12 8  o 15.45078 5.219222 -4.420739      4.589351      -1.970204      6.273340      -6.871982      6.700537      16.26068 7.623991 14.64088 7.129927 1.619801       10.43844 
1 1 1 38 12 9  o 18.62823 5.927964 -0.9507422     5.153986      7.403321       7.072474      -9.301972      7.502505      22.67835 9.434934 14.57811 7.179490 8.100239       11.85593 
1 1 1 38 13 0  o 30.88971 11.99623 15.60719       7.024299      15.60719       7.024299      15.60719       7.024299      30.88971 11.99623 30.88971 11.99623 0.000000       0.000000 
1 1 1 38 13 1  o 20.70407 6.317925 3.802969       4.784175      4.791259       6.702662      2.815387       6.827350      21.39399 9.056927 20.01416 8.811175 1.379833       12.63585 
1 1 1 38 13 2  o 24.76269 6.327566 7.233293       4.723248      -0.9663283     6.434159      15.43008       6.917324      17.26878 7.966952 32.25659 9.832600 -14.98781      12.65513 
1 1 1 38 13 3  o 22.37238 6.516599 6.074266       4.727499      4.644610       6.576558      7.502505       6.792635      21.11530 8.956757 23.62945 9.467879 -2.514147      13.03320 
1 1 1 38 13 4  o 25.79020 6.829597 9.840395       4.754420      9.656199       6.774924      10.01751       6.672198      25.58304 9.670756 25.99736 9.646247 -0.4143162     13.65919 
1 1 1 38 13 5  o 16.79664 5.504879 -2.222413      4.553928      -7.059014      6.401570      2.614187       6.478791      14.27018 6.952915 19.32310 8.536496 -5.052918      11.00976 
1 1 1 38 13 6  o 16.10482 5.418016 -3.421114      4.789134      -1.489874      6.837976      -5.353062      6.706204      17.03406 7.981767 15.17558 7.328780 1.858484       10.83603 
1 1 1 38 13 7  o 19.29941 6.084937 2.615604       4.840142      -0.4447660     6.701245      5.675407       6.985334      17.27591 8.031299 21.32291 9.143527 -4.046999      12.16987 
1 1 1 38 14 0  o 26.20151 12.45439 13.33306       7.382068      13.33306       7.382068      13.33306       7.382068      26.20151 12.45439 26.20151 12.45439 0.000000       0.000000 
1 1 1 38 14 1  o 16.51192 5.510253 -3.413321      4.873440      -8.062181      6.896778      1.236957       6.886859      14.44084 7.073072 18.58301 8.451224 -4.142170      11.02051 
1 1 1 38 14 2  o 20.36037 6.287730 4.050219       4.866355      3.080348       6.907404      5.019381       6.857105      19.69345 8.742500 21.02729 9.039409 -1.333841      12.57546 
1 1 1 38 14 3  o 24.11533 6.792419 8.820225       4.957746      10.27963       7.021466      7.367898       7.000920      25.41582 9.775992 22.81484 9.432804 2.600973       13.58484 
1 1 1 38 14 4  o 23.99223 6.803017 8.933578       4.977582      9.932493       7.081684      7.934660       6.995961      24.86912 9.764830 23.11535 9.474823 1.753771       13.60603 
1 1 1 39 0  1  o 27.12372 11.57491 11.98701       6.356938      11.98701       6.356938      11.98701       6.356938      27.12372 11.57491 27.12372 11.57491 0.000000       0.000000 
1 1 1 39 0  2  o 29.69333 11.27704 13.44641       6.264839      13.44641       6.264839      13.44641       6.264839      29.69333 11.27704 29.69333 11.27704 0.000000       0.000000 
1 1 1 39 0  3  o 13.40747 8.902060 0.2727539      6.055138      0.2727539      6.055138      0.2727539      6.055138      13.40747 8.902060 13.40747 8.902060 0.000000       0.000000 
1 1 1 39 0  4  o 29.39746 11.43074 13.43225       6.374650      13.43225       6.374650      13.43225       6.374650      29.39746 11.43074 29.39746 11.43074 0.000000       0.000000 
1 1 1 39 0  5  o 23.43444 11.45121 9.698705       6.286093      9.698705       6.286093      9.698705       6.286093      23.43444 11.45121 23.43444 11.45121 0.000000       0.000000 
1 1 1 39 0  6  o 58.52270 7.136323 38.49727       8.147196      38.49727       8.147196      38.49727       8.147196      58.52270 7.136323 58.52270 7.136323 0.000000       0.000000 
1 1 1 39 0  7  o 10.50914 7.505432 -6.155738      6.422824      -6.155738      6.422824      -6.155738      6.422824      10.50914 7.505432 10.50914 7.505432 0.000000       0.000000 
1 1 1 39 0  8  o 14.45297 9.332896 1.957452       6.086309      1.957452       6.086309      1.957452       6.086309      14.45297 9.332896 14.45297 9.332896 0.000000       0.000000 
1 1 1 39 0  9  o 27.77969 11.91278 13.18429       6.726750      13.18429       6.726750      13.18429       6.726750      27.77969 11.91278 27.77969 11.91278 0.000000       0.000000 
1 1 1 39 0  10 o 20.76057 11.10407 8.182618       6.226583      8.182618       6.226583      8.182618       6.226583      20.76057 11.10407 20.76057 11.10407 0.000000       0.000000 
1 1 1 39 0  11 o 18.37741 10.51321 6.353395       6.003421      6.353395       6.003421      6.353395       6.003421      18.37741 10.51321 18.37741 10.51321 0.000000       0.000000 
1 1 1 39 0  12 o 10.84486 7.653789 -3.936158      6.151486      -3.936158      6.151486      -3.936158      6.151486      10.84486 7.653789 10.84486 7.653789 0.000000       0.000000 
1 1 1 39 1  0  o 31.88117 11.12202 14.84206       6.400862      14.84206       6.400862      14.84206       6.400862      31.88117 11.12202 31.88117 11.12202 0.000000       0.000000 
1 1 1 39 1  1  o 21.59989 6.241701 4.320848       4.282591      4.879108       5.979333      3.763296       6.131650      22.05816 8.864403 21.14161 8.789636 0.9165573      12.48340 
1 1 1 39 1  2  o 32.43294 5.719431 12.85132       4.627607      2.139524       6.381733      23.56311       6.703371      20.00539 8.661779 44.86048 7.471355 -24.85508      11.43886 
1 1 1 39 1  3  o 23.22343 6.111912 4.445535       4.473873      -3.366563      6.157155      12.25622       6.491544      16.19906 7.587544 30.24781 9.583895 -14.04876      12.22382 
1 1 1 39 1  4  o 24.29588 6.451659 7.023591       4.335016      4.862104       6.091977      9.181536       6.169198      21.99957 8.903270 26.59219 9.339562 -4.592613      12.90332 
1 1 1 39 1  5  o 20.97712 6.257386 3.511796       4.505753      4.126731       6.242169      2.896151       6.500045      21.38874 8.878944 20.56549 8.819515 0.8232594      12.51477 
1 1 1 39 1  6  o 33.32525 6.579594 14.95542       4.619106      11.88782       6.319390      18.02301       6.739501      29.63000 9.462886 37.02051 9.144287 -7.390512      13.15919 
1 1 1 39 1  7  o 15.06626 5.032741 -6.698411      4.278340      0.3031465      5.842602      -13.70146      6.252087      17.81960 7.969265 12.31293 6.148556 5.506678       10.06548 
1 1 1 39 1  8  o 20.02403 6.028704 2.201160       4.478832      7.058305       6.477375      -2.655986      6.186910      23.73696 9.332993 16.31111 7.633893 7.425854       12.05741 
1 1 1 39 1  9  o 27.70073 6.643003 10.75430       4.525590      13.63061       6.379609      7.870899       6.419281      31.05891 9.437772 24.34254 9.351280 6.716372       13.28601 
1 1 1 39 1  10 o 23.72207 6.463038 7.059014       4.550386      3.116479       6.313014      11.00226       6.553887      19.93407 8.622739 27.51007 9.629736 -7.576006      12.92608 
1 1 1 39 1  11 o 24.71104 6.370523 8.104689       4.421447      12.98592       6.330725      3.217079       6.173449      29.72101 9.469285 19.70107 8.524488 10.01995       12.74105 
1 1 1 39 1  12 o 15.25614 5.148683 -4.133108      4.411529      -6.769965      6.281133      -1.496250      6.196119      14.13105 6.885497 16.38122 7.656741 -2.250172      10.29737 
1 1 1 39 2  0  f 18.65549 10.81707 5.972248       6.468165      5.972248       6.468165      5.972248       6.468165      18.65549 10.81707 18.65549 10.81707 0.000000       0.000000 
1 1 1 39 2  1  o 18.20313 5.700243 -0.5477040     4.304553      -4.737417      6.089143      3.642151       6.086309      15.43738 7.320190 20.96889 8.739904 -5.531501      11.40049 
1 1 1 39 2  2  o 23.67501 6.354205 5.978625       4.402319      9.833311       6.144402      2.121105       6.306637      27.45441 9.345057 19.89562 8.612410 7.558783       12.70841 
1 1 1 39 2  3  o 18.99444 5.921020 0.9422408      4.417197      2.772172       6.401570      -0.8869816     6.087726      20.45397 8.761425 17.53492 7.966890 2.919044       11.84204 
1 1 1 39 2  4  o 32.01292 5.362151 11.95867       4.623356      25.75931       6.847895      -1.847642      6.214540      46.94066 7.294204 17.08518 7.861630 29.85547       10.72430 
1 1 1 39 2  5  o 16.51763 5.398043 -2.860020      4.295343      0.4264880      6.017590      -6.145820      6.130942      18.25245 8.127251 14.78280 7.106566 3.469649       10.79609 
1 1 1 39 2  6  o 28.60579 6.986372 11.41316       4.937201      7.941744       6.376774      14.88457       7.537927      24.98765 9.398579 32.22392 10.33945 -7.236269      13.97274 
1 1 1 39 2  7  o 16.11212 5.362217 -3.506836      4.442701      -4.899652      6.203204      -2.114020      6.361897      15.30963 7.308342 16.91461 7.848672 -1.604985      10.72443 
1 1 1 39 2  8  o 48.21511 5.258341 28.48685       4.890443      21.82031       6.538302      35.14629       7.275800      41.48978 8.170430 54.94045 6.621532 -13.45068      10.51668 
1 1 1 39 2  9  o 44.94651 5.613722 25.48301       4.883358      30.25089       7.057597      20.70805       6.752253      50.37331 7.005293 39.51970 8.773903 10.85361       11.22744 
1 1 1 39 2  10 o 22.09147 6.330562 5.641402       4.436325      3.263129       6.156446      8.019674       6.388110      19.90287 8.560905 24.28007 9.328180 -4.377195      12.66112 
1 1 1 39 2  11 o 28.49252 6.547939 11.85240       4.491584      15.97559       6.447619      7.729208       6.254921      33.30360 9.317626 23.68143 9.202385 9.622179       13.09588 
1 1 1 39 2  12 o 16.71062 5.516871 -2.400234      4.750877      1.449492       6.183367      -6.250670      7.212039      18.06843 8.135187 15.35281 7.454007 2.715621       11.03374 
1 1 1 39 3  0  f 13.65910 9.031906 0.5232625      6.149361      0.5232625      6.149361      0.5232625      6.149361      13.65910 9.031906 13.65910 9.031906 0.000000       0.000000 
1 1 1 39 3  1  o 52.33548 4.663406 31.17188       4.873440      28.04052       6.712580      34.30323       7.067515      49.52598 6.776828 55.14498 6.408121 -5.618999      9.326812 
1 1 1 39 3  2  o 59.80384 4.601697 40.89892       5.433117      49.64122       7.941744      32.14954       7.417490      66.85178 5.939815 52.75589 7.030011 14.09589       9.203394 
1 1 1 39 3  3  o 16.62597 5.453017 -2.487374      4.338559      -1.872438      6.057263      -3.102310      6.213122      16.87285 7.762911 16.37910 7.660207 0.4937496      10.90603 
1 1 1 39 3  4  o 21.54062 6.287711 4.136650       4.454036      6.243586       6.319390      2.029714       6.279717      23.37725 9.209933 19.70399 8.562613 3.673258       12.57542 
1 1 1 39 3  5  f 17.96246 5.645927 -0.8175534     4.291801      3.860354       6.050887      -5.495461      6.087018      20.94082 8.720444 14.98411 7.173551 5.956711       11.29185 
1 1 1 39 3  6  o 25.99570 6.690343 8.954830       4.513546      9.472000       6.446203      8.444746       6.320098      26.55582 9.524587 25.43558 9.398139 1.120235       13.38069 
1 1 1 39 3  7  o 28.45233 6.249855 10.52051       4.575181      2.654569       6.223749      18.39141       6.708330      19.82413 8.568192 37.08053 9.101034 -17.25640      12.49971 
1 1 1 39 3  8  o 25.57099 6.583043 8.713958       4.517088      6.015463       6.525549      11.42024       6.247128      22.65250 9.195430 28.48947 9.422838 -5.836971      13.16609 
1 1 1 39 3  9  o 18.02787 5.687166 0.4661613      4.259212      3.538008       6.145820      -2.605685      5.897861      20.20936 8.618255 15.84637 7.423013 4.362989       11.37433 
1 1 1 39 3  10 o 21.01068 6.179444 4.477415       4.376107      1.667695       6.009089      7.289969       6.364022      18.53931 8.201738 23.48204 9.245193 -4.942728      12.35889 
1 1 1 39 3  11 o 24.30465 6.559649 8.295970       4.546844      5.822765       6.456121      10.77555       6.404404      21.82351 9.042789 26.78578 9.504945 -4.962261      13.11930 
1 1 1 39 3  12 o 14.72336 4.980556 -9.139028      4.802595      0.3427490      5.620148      -18.62520      7.792970      16.76068 7.625687 12.68603 6.408796 4.074656       9.961113 
1 1 1 39 4  0  o 13.42948 8.996477 -0.2840891     6.498628      -0.2840891     6.498628      -0.2840891     6.498628      13.42948 8.996477 13.42948 8.996477 0.000000       0.000000 
1 1 1 39 4  1  o 45.32539 5.617047 25.12878       4.909571      31.20022       7.162447      19.05735       6.716123      52.08134 6.876213 38.56945 8.883838 13.51189       11.23409 
1 1 1 39 4  2  o 30.41896 6.744899 12.46167       4.614855      14.26822       6.497211      10.65512       6.555304      32.66467 9.423626 28.17325 9.652456 4.491423       13.48980 
1 1 1 39 4  3  o 26.24621 6.675828 8.827310       4.576599      6.177700       6.452579      11.48400       6.492253      23.35622 9.273233 29.13621 9.605929 -5.779991      13.35166 
1 1 1 39 4  4  o 19.21582 5.913387 1.052759       4.411529      -2.505794      6.271924      4.611313       6.204620      16.71744 7.770944 21.71421 8.915438 -4.996765      11.82677 
1 1 1 39 4  5  o 28.64579 6.429715 10.89599       4.469623      16.37232       6.566639      5.421782       6.064347      34.99785 9.243046 22.29372 8.940417 12.70413       12.85943 
1 1 1 39 4  6  o 20.08941 6.117752 2.541925       4.531966      -0.1184531     6.317973      5.201453       6.498628      18.01538 8.161098 22.16345 9.116141 -4.148073      12.23550 
1 1 1 39 4  7  o 18.47232 5.776419 -0.1878106E-01 4.439867      5.078891       6.359772      -5.116439      6.196828      21.82742 9.004858 15.11722 7.237442 6.710208       11.55284 
1 1 1 39 4  8  o 25.86715 6.576071 9.131943       4.438450      6.621899       6.279717      11.64695       6.275465      23.08362 9.153476 28.65068 9.444189 -5.567066      13.15214 
1 1 1 39 4  9  o 15.72774 5.319154 -4.589351      4.701286      -4.397360      6.063639      -4.782050      7.183701      15.13761 7.226091 16.31787 7.807508 -1.180259      10.63831 
1 1 1 39 4  10 o 16.52767 5.495780 -2.476748      4.704120      -2.091350      5.739168      -2.862145      7.452912      15.77915 7.372870 17.27619 8.152004 -1.497032      10.99156 
1 1 1 39 4  11 o 20.04448 6.162587 2.839475       4.918072      5.763256       5.966581      -0.8451830E-01 7.821308      21.47264 8.767149 18.61631 8.662968 2.856329       12.32517 
1 1 1 39 5  0  o 55.43579 6.733519 34.23239       7.282885      34.23239       7.282885      34.23239       7.282885      55.43579 6.733519 55.43579 6.733519 0.000000       0.000000 
1 1 1 39 5  1  o 20.96162 6.097063 3.076098       4.391693      7.707955       6.301678      -1.557177      6.117482      24.83509 9.342703 17.08815 7.836492 7.746943       12.19413 
1 1 1 39 5  2  o 33.71003 6.484930 15.06169       4.493001      15.86224       6.390234      14.26113       6.317265      34.71667 9.094772 32.70339 9.246750 2.013283       12.96986 
1 1 1 39 5  3  o 26.23896 6.481918 8.820225       4.388151      5.112188       6.117482      12.52543       6.293177      22.07302 8.926458 30.40490 9.401031 -8.331879      12.96384 
1 1 1 39 5  4  o 17.08216 5.568135 -1.685407      4.420739      -2.719746      6.113231      -0.6512088     6.387401      16.31764 7.618604 17.84668 8.122400 -1.529045      11.13627 
1 1 1 39 5  5  o 28.90975 6.715079 11.57610       4.486625      11.71779       6.376066      11.43441       6.314431      29.06362 9.519591 28.75587 9.473466 0.3077545      13.43016 
1 1 1 39 5  6  o 34.17483 7.049355 16.77614       5.135567      16.36524       6.747295      17.18704       7.743378      34.30950 9.509801 34.04015 10.40852 0.2693520      14.09871 
1 1 1 39 5  7  f 17.07203 5.463912 -3.835558      4.568097      3.747710       5.815681      -11.42024      7.045553      20.23951 8.495697 13.90454 6.873168 6.334974       10.92782 
1 1 1 39 5  8  f 15.29521 5.169341 -5.634317      4.608479      -2.357728      5.680366      -8.912323      7.261631      15.69383 7.333777 14.89660 7.287252 0.7972288      10.33868 
1 1 1 39 5  9  o 20.40059 6.155214 3.348852       4.666572      -2.971955      5.586851      9.670367       7.474166      15.15313 7.123158 25.64805 10.04028 -10.49492      12.31043 
1 1 1 39 5  10 o 21.21436 6.216931 3.710871       4.869189      -6.340643      5.632192      13.76522       7.941744      13.54224 6.578789 28.88647 10.55085 -15.34423      12.43386 
1 1 1 39 5  11 o 19.39809 6.268038 2.878439       5.440201      0.2245792      5.738459      5.533009       9.245295      16.84032 7.673570 21.95586 9.913098 -5.115534      12.53608 
1 1 1 39 6  0  o 36.51854 10.20431 17.87424       6.441952      17.87424       6.441952      17.87424       6.441952      36.51854 10.20431 36.51854 10.20431 0.000000       0.000000 
1 1 1 39 6  1  o 31.53439 6.234671 13.24096       4.633983      5.346686       6.351271      21.13312       6.748711      22.33832 9.070491 40.73045 8.556325 -18.39212      12.46934 
1 1 1 39 6  2  o 27.85354 6.618275 10.50634       4.398069      12.24205       6.257754      8.770633       6.182659      29.92357 9.399268 25.78351 9.319871 4.140064       13.23655 
1 1 1 39 6  3  o 30.64397 6.315473 12.19245       4.683574      17.44208       5.815681      6.948495       7.339560      37.27900 8.029749 24.00893 9.750072 13.27007       12.63095 
1 1 1 39 6  4  o 38.59368 6.549780 20.09169       5.046302      18.99359       6.136609      21.18271       8.012589      38.70614 8.179899 38.48122 10.23170 0.2249184      13.09956 
1 1 1 39 6  5  o 18.44574 5.740008 -1.217120      4.630441      5.037800       5.890777      -7.474166      7.148279      21.53466 8.738591 15.35681 7.444985 6.177854       11.48002 
1 1 1 39 6  6  o 30.35926 6.891752 13.48892       4.811805      10.01751       6.079224      16.96742       7.459997      26.81892 9.285275 33.89959 10.18669 -7.080666      13.78350 
1 1 1 39 6  7  f 20.48295 6.222147 3.783841       4.616981      0.9939578      5.576224      6.573724       7.360813      17.73685 7.866846 23.22905 9.642261 -5.492207      12.44429 
1 1 1 39 6  8  o 30.40035 6.806979 13.48184       4.793385      14.30364       5.928325      12.66712       7.530843      32.18356 8.911850 28.61714 10.29168 3.566420       13.61396 
1 1 1 39 6  9  o 24.50311 5.816067 4.974748       4.631149      15.05460       5.849687      -5.103686      7.183701      33.00880 8.726704 15.99743 7.690979 17.01138       11.63213 
1 1 1 39 6  10 o 22.58778 6.245839 6.268381       4.641068      -2.627648      5.435242      15.16795       7.523758      14.89163 7.007662 30.28393 10.34092 -15.39230      12.49168 
1 1 1 39 7  0  o 13.49698 8.985239 0.4158612      6.245711      0.4158612      6.245711      0.4158612      6.245711      13.49698 8.985239 13.49698 8.985239 0.000000       0.000000 
1 1 1 39 7  1  o 33.15821 6.467572 15.17504       4.768589      21.45192       6.829475      8.898154       6.657322      40.66294 8.655879 25.65348 9.612164 15.00946       12.93514 
1 1 1 39 7  2  f 20.93787 6.292356 4.002044       4.624773      3.044926       5.694535      4.959163       7.289969      19.65245 8.335290 22.22328 9.428568 -2.570837      12.58471 
1 1 1 39 7  3  o 19.16891 5.882683 0.8742295E-01  4.670823      5.423198       5.742710      -5.248210      7.367898      21.85229 8.725527 16.48553 7.892339 5.366760       11.76537 
1 1 1 39 7  4  o 21.60820 6.408470 4.777799       4.731750      4.676490       5.804345      4.879816       7.474166      21.09688 8.635983 22.11952 9.470677 -1.022635      12.81694 
1 1 1 39 7  5  o 28.78173 6.945650 12.05785       4.901778      11.95158       5.959496      12.17120       7.785885      29.26718 9.168451 28.29629 10.43588 0.9708900      13.89130 
1 1 1 39 7  6  o 26.98497 7.125542 11.38482       5.314805      6.171323       5.632192      16.59903       9.011506      22.37153 8.724284 31.59840 11.26855 -9.226870      14.25108 
1 1 1 39 7  7  o 19.43790 6.046042 2.609936       4.574473      -0.3697410     5.514588      5.588976       7.297054      16.62636 7.561677 22.24945 9.436076 -5.623096      12.09208 
1 1 1 39 7  8  o 22.09004 6.389257 5.997753       4.665155      0.4944994      5.519547      11.49817       7.523758      17.08930 7.690679 27.09078 10.20509 -10.00148      12.77851 
1 1 1 39 7  9  o 30.85661 6.920978 15.09711       4.892568      10.49926       5.954537      19.69496       7.764632      26.53526 9.189321 35.17795 10.35162 -8.642691      13.84196 
1 1 1 39 8  0  o 22.84481 11.69451 9.854564       6.696286      9.854564       6.696286      9.854564       6.696286      22.84481 11.69451 22.84481 11.69451 0.000000       0.000000 
1 1 1 39 8  1  o 17.93071 5.879285 -1.453035      5.026465      1.630148       7.552096      -4.535509      6.634651      19.99195 8.996504 15.86947 7.571453 4.122481       11.75857 
1 1 1 39 8  2  o 22.71164 6.483406 6.172032       4.549677      6.804679       6.414322      5.539385       6.453995      23.28697 9.245714 22.13631 9.091478 1.150656       12.96681 
1 1 1 39 8  3  o 16.18581 5.356872 -3.899319      4.473165      -9.443663      6.086309      1.647859       6.557429      13.22022 6.511443 19.15140 8.507961 -5.931172      10.71374 
1 1 1 39 8  4  o 21.60727 6.415918 4.940034       4.696327      3.817138       6.388818      6.062930       6.884734      20.56565 8.779110 22.64889 9.358591 -2.083242      12.83184 
1 1 1 39 8  5  o 26.94756 6.955170 10.68345       4.886192      10.96683       6.797595      10.39299       7.021466      27.29854 9.781758 26.59657 9.890135 0.7019691      13.91034 
1 1 1 39 8  6  o 16.49484 5.452453 -2.794134      4.556762      0.9018591      6.488001      -6.490835      6.400862      18.39715 8.305441 14.59253 7.066585 3.804623       10.90491 
1 1 1 39 8  7  f 15.37054 5.162896 -6.328599      4.672239      0.3991417E-01  5.871648      -12.69546      7.268716      17.12637 7.792698 13.61472 6.774648 3.511643       10.32579 
1 1 1 39 8  8  o 19.75038 6.091799 3.377190       4.680032      -2.376147      5.477040      9.131943       7.587519      15.08455 7.081721 24.41621 9.914095 -9.331660      12.18360 
1 1 1 39 9  0  o 19.90035 11.08610 7.573349       6.461080      7.573349       6.461080      7.573349       6.461080      19.90035 11.08610 19.90035 11.08610 0.000000       0.000000 
1 1 1 39 9  1  o 20.68695 6.257221 3.936867       4.607062      3.921280       6.602063      3.951744       6.427074      20.72715 8.888637 20.64675 8.809279 0.8039665E-01  12.51444 
1 1 1 39 9  2  o 22.82492 6.506668 6.473832       4.579432      5.670448       6.539010      7.275800       6.411489      22.10626 9.126647 23.54358 9.276379 -1.437325      13.01334 
1 1 1 39 9  3  o 19.26834 5.945668 1.336848       4.598560      -3.394901      6.573724      6.069307       6.432742      16.17954 7.640891 22.35713 9.111567 -6.177586      11.89134 
1 1 1 39 9  4  o 18.45110 5.805397 0.1992166      4.551803      -5.167447      6.315140      5.566306       6.557429      15.02881 7.221830 21.87338 9.091517 -6.844572      11.61079 
1 1 1 39 9  5  o 36.77314 6.784163 19.70913       5.078182      22.11078       7.240376      17.30748       7.119940      39.61562 9.289498 33.93065 9.889627 5.684967       13.56833 
1 1 1 39 9  6  o 28.62695 6.694522 12.29164       4.935784      18.71730       7.083100      5.869523       6.874816      35.38219 9.716735 21.87171 9.211492 13.51048       13.38904 
1 1 1 39 9  7  o 23.90617 6.735014 8.579351       4.847936      8.161365       6.966206      9.004422       6.743752      23.49929 9.516376 24.31305 9.533112 -0.8137531     13.47003 
1 1 1 39 10 0  o 8.991757 6.599708 -11.20771      6.539010      -11.20771      6.539010      -11.20771      6.539010      8.991757 6.599708 8.991757 6.599708 0.000000       0.000000 
1 1 1 39 10 1  o 17.14015 5.620714 -1.110144      4.607062      -1.205077      6.660863      -1.015211      6.366147      17.23774 8.011052 17.04256 7.886238 0.1951866      11.24143 
1 1 1 39 10 2  o 19.02311 5.808477 0.5955954      4.498669      -6.629692      6.309471      7.821308       6.413614      14.34412 6.966697 23.70210 9.296168 -9.357978      11.61695 
1 1 1 39 10 3  f 15.98904 5.362513 -4.405153      4.741668      -9.195704      6.705496      0.3853978      6.704788      13.90772 6.850299 18.07037 8.252248 -4.162654      10.72503 
1 1 1 39 10 4  o 25.68391 6.537108 9.330310       4.768589      15.72054       6.893944      2.943617       6.589310      31.86820 9.836711 19.49963 8.612447 12.36857       13.07422 
1 1 1 39 10 5  o 20.07042 6.150983 3.421114       4.741668      -0.3513213     6.754380      7.190785       6.657322      17.47499 8.100419 22.66585 9.258595 -5.190859      12.30197 
1 1 1 39 11 0  o 25.64337 12.32358 12.95050       7.247461      12.95050       7.247461      12.95050       7.247461      25.64337 12.32358 25.64337 12.32358 0.000000       0.000000 
1 1 1 39 11 1  o 23.68840 6.800503 8.451830       5.042760      8.359732       7.219123      8.551013       7.043427      23.59539 9.640326 23.78140 9.594346 -0.1860161     13.60101 
1 1 1 39 11 2  o 18.93968 6.031448 2.272005       4.811096      2.475331       6.769256      2.067971       6.837976      19.04343 8.545698 18.83593 8.513783 0.2074947      12.06290 
1 1 1 40 0  0  o 13.40694 9.322888 -4.753712      8.416408      -4.753712      8.416408      -4.753712      8.416408      13.40694 9.322888 13.40694 9.322888 0.000000       0.000000 
1 1 1 40 0  1  o 20.51813 11.04383 8.019674       6.191161      8.019674       6.191161      8.019674       6.191161      20.51813 11.04383 20.51813 11.04383 0.000000       0.000000 
1 1 1 40 0  2  o 9.594099 6.923915 -7.018632      5.958787      -7.018632      5.958787      -7.018632      5.958787      9.594099 6.923915 9.594099 6.923915 0.000000       0.000000 
1 1 1 40 0  3  o 10.85181 7.683813 -4.619813      6.338518      -4.619813      6.338518      -4.619813      6.338518      10.85181 7.683813 10.85181 7.683813 0.000000       0.000000 
1 1 1 40 0  4  f 15.21815 9.633418 3.155444       6.143694      3.155444       6.143694      3.155444       6.143694      15.21815 9.633418 15.21815 9.633418 0.000000       0.000000 
1 1 1 40 0  5  o 13.10314 8.769961 0.3427490      6.143694      0.3427490      6.143694      0.3427490      6.143694      13.10314 8.769961 13.10314 8.769961 0.000000       0.000000 
1 1 1 40 0  6  o 52.84270 7.018829 32.45417       7.212039      32.45417       7.212039      32.45417       7.212039      52.84270 7.018829 52.84270 7.018829 0.000000       0.000000 
1 1 1 40 0  7  f 11.18684 7.883239 -3.726456      6.473125      -3.726456      6.473125      -3.726456      6.473125      11.18684 7.883239 11.18684 7.883239 0.000000       0.000000 
1 1 1 40 1  0  o 14.96642 9.648502 2.512878       6.464623      2.512878       6.464623      2.512878       6.464623      14.96642 9.648502 14.96642 9.648502 0.000000       0.000000 
1 1 1 40 1  1  o 28.60120 6.726657 11.85240       4.702703      7.948828       6.595686      15.76305       6.705496      24.16799 9.437743 33.03441 9.587527 -8.866423      13.45331 
1 1 1 40 1  2  o 22.43068 5.708833 2.461161       4.414363      14.52326       6.419281      -9.599521      6.062222      31.79280 9.428441 13.06855 6.439535 18.72425       11.41767 
1 1 1 40 1  3  o 22.02547 6.131454 4.790551       4.436325      -1.393525      6.157863      10.97392       6.387401      16.69855 7.738184 27.35240 9.513117 -10.65384      12.26291 
1 1 1 40 1  4  o 50.27812 5.270576 31.73864       5.108645      24.64704       6.865606      38.83024       7.566265      43.46237 8.198162 57.09387 6.626163 -13.63150      10.54115 
1 1 1 40 1  5  o 18.66599 5.884766 1.814345       4.471748      2.024047       6.253504      1.604643       6.393777      18.75383 8.322764 18.57815 8.321867 0.1756763      11.76953 
1 1 1 40 1  6  o 21.42773 6.285408 5.598895       4.453328      3.900027       6.217373      7.297054       6.378900      19.93826 8.589967 22.91721 9.178122 -2.978951      12.57082 
1 1 1 40 1  7  o 21.85318 5.889851 3.214954       4.558887      -8.239295      6.157155      14.66495       6.724624      13.36399 6.582757 30.34238 9.768760 -16.97839      11.77970 
1 1 1 40 2  0  o 12.69032 8.579403 -0.5141234     6.157155      -0.5141234     6.157155      -0.5141234     6.157155      12.69032 8.579403 12.69032 8.579403 0.000000       0.000000 
1 1 1 40 2  1  o 26.30825 6.307844 9.110690       4.479541      15.21046       6.297428      3.005253       6.373232      32.82228 9.216747 19.79422 8.614356 13.02806       12.61569 
1 1 1 40 2  2  o 19.74899 6.043037 3.060512       4.412946      4.101936       6.167073      2.018379       6.313722      20.48718 8.681014 19.01081 8.409113 1.476368       12.08607 
1 1 1 40 2  3  o 21.41232 6.330477 5.128483       4.539051      4.559595       6.349853      5.696661       6.488001      20.90087 8.830110 21.92378 9.073528 -1.022911      12.66095 
1 1 1 40 2  4  o 19.58301 5.967784 2.335057       4.483083      7.013672       6.426365      -2.342850      6.252795      22.97723 9.208026 16.18878 7.594081 6.788456       11.93557 
1 1 1 40 2  5  o 18.79638 5.844258 1.807969       4.383191      5.280799       6.204620      -1.664862      6.192576      21.20292 8.830121 16.38984 7.658355 4.813078       11.68852 
1 1 1 40 2  6  o 16.12657 5.369411 -2.559636      4.519214      -0.1987916     6.339935      -4.920197      6.441244      17.22486 7.932061 15.02828 7.239108 2.196575       10.73882 
1 1 1 40 2  7  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
1 1 1 40 3  0  o 25.24959 11.72656 11.59735       6.517756      11.59735       6.517756      11.59735       6.517756      25.24959 11.72656 25.24959 11.72656 0.000000       0.000000 
1 1 1 40 3  1  o 19.25765 5.968859 2.404485       4.429949      0.4912404      6.104020      4.318014       6.422115      17.75303 8.033063 20.76227 8.830572 -3.009243      11.93772 
1 1 1 40 3  2  o 26.55416 6.716551 10.34340       4.534800      10.93141       6.282550      9.755382       6.540427      27.27993 9.439815 25.82838 9.557099 1.451542       13.43310 
1 1 1 40 3  3  o 16.50578 5.432348 -1.564262      4.351311      -1.172488      6.200370      -1.956035      6.106146      16.77881 7.771339 16.23275 7.592622 0.5460606      10.86470 
1 1 1 40 3  4  o 49.52718 5.099807 30.36424       5.051261      28.30973       6.937868      32.41167       7.346645      47.79155 7.258467 51.26282 7.165667 -3.471264      10.19961 
1 1 1 40 3  5  o 14.09693 4.854795 -6.728875      4.386024      -5.210663      6.193285      -8.246379      6.212414      14.65205 7.067809 13.54181 6.657494 1.110237       9.709590 
1 1 1 40 3  6  o 20.48737 6.168806 4.320848       4.588642      0.6976834      6.373232      7.941744       6.604187      17.69875 8.070665 23.27598 9.331722 -5.577238      12.33761 
1 1 1 40 4  0  o 15.21964 9.720685 3.048468       6.379609      3.048468       6.379609      3.048468       6.379609      15.21964 9.720685 15.21964 9.720685 0.000000       0.000000 
1 1 1 40 4  1  o 21.32601 6.241992 5.155404       4.389567      3.430324       6.212414      6.880484       6.203204      19.82425 8.564214 22.82776 9.083178 -3.003510      12.48398 
1 1 1 40 4  2  o 20.94071 5.910389 3.070430       4.377523      -4.765755      6.086309      10.91016       6.293177      14.82363 7.115091 27.05779 9.439612 -12.23415      11.82078 
1 1 1 40 4  3  o 25.38282 6.425715 8.976085       4.511421      14.30364       6.490835      3.645693       6.268381      30.85936 9.548736 19.90627 8.601214 10.95309       12.85143 
1 1 1 40 4  4  f 18.58001 5.877017 1.854018       4.496543      1.449492       6.367565      2.258544       6.349853      18.31669 8.250753 18.84333 8.371522 -0.5266380     11.75403 
1 1 1 40 4  5  f 15.28940 5.160294 -3.804386      4.436325      -4.899652      6.226583      -2.709828      6.320807      14.74326 7.105651 15.83553 7.484936 -1.092271      10.32059 
1 1 1 40 5  0  o 12.28667 8.427974 -1.239791      6.303096      -1.239791      6.303096      -1.239791      6.303096      12.28667 8.427974 12.28667 8.427974 0.000000       0.000000 
1 1 1 40 5  1  o 20.53638 6.104867 3.224164       4.665155      9.231127       6.629692      -2.786341      6.565223      24.86746 9.517647 16.20531 7.648004 8.662148       12.20973 
1 1 1 40 5  2  o 22.72552 6.505607 6.998086       4.621940      5.364397       6.436285      8.628942       6.636068      21.25065 8.929623 24.20038 9.463272 -2.949722      13.01121 
1 1 1 40 5  3  o 23.10242 6.482525 7.431659       4.537633      9.486169       6.397319      5.384942       6.436285      25.03439 9.414191 21.17044 8.914345 3.863943       12.96505 
1 1 1 40 5  4  f 24.68056 6.528907 8.912323       4.646027      3.946076       6.393069      13.87857       6.743044      19.88832 8.641082 29.47279 9.789700 -9.584467      13.05781 
1 1 1 40 6  0  o 17.73526 10.56943 6.076391       6.456830      6.076391       6.456830      6.076391       6.456830      17.73526 10.56943 17.73526 10.56943 0.000000       0.000000 
1 1 1 40 6  1  o 19.23093 6.001389 2.894734       4.548969      4.727499       6.526258      1.061969       6.337809      20.56008 8.827911 17.90178 8.132320 2.658300       12.00278 
1 1 1 40 6  2  o 17.70533 5.827931 -0.1355977     5.006629      -1.057010      6.385984      0.7856730      7.715039      16.68393 7.788495 18.72673 8.671707 -2.042801      11.65586 
1 1 1 40 6  3  x ?        ?        ?              ?             ?              ?             ?              ?             ?        ?        ?        ?        ?              ?        
# 
#END OF REFLECTIONS
