data_r5m1fsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-10-26 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5m1f 
_cell.length_a      55.1020 
_cell.length_b      55.1020 
_cell.length_c      95.7590 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   120.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97950 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.147 
_diffrn_reflns.pdbx_d_res_low    47.720 
_diffrn_reflns.limit_h_max       22 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       12 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       44 
_diffrn_reflns.limit_l_min       -44 
_diffrn_reflns.number            9655 
_diffrn_reflns.pdbx_number_obs   9168 
# 
_entry.id   5m1f 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5m1f 
_symmetry.space_group_name_H-M   "P 32 2 1" 
_symmetry.Int_Tables_number      154 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"          
2 "X-Y,  -Y,  -Z+1/3"  
3 "Y,  X,  -Z"         
4 "-X,  -X+Y,  -Z+2/3" 
5 "-X+Y,  -X,  Z+1/3"  
6 "-Y,  X-Y,  Z+2/3"   
# 
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  3   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0  0  6   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0  0  9   o 1128.964 19.50787 26150.00       901.2012 26150.00       901.2012 26150.00       901.2012 1128.964 19.50787 1128.964 19.50787 -0.000000      0.000000 
1 1 1 0  0  12  o 988.0282 17.14402 20030.00       693.1251 20030.00       693.1251 20030.00       693.1251 988.0282 17.14402 988.0282 17.14402 0.000000       0.000000 
1 1 1 0  0  15  o 134.0842 3.982875 369.1000       21.82379 369.1000       21.82379 369.1000       21.82379 134.0842 3.982875 134.0842 3.982875 0.000000       0.000000 
1 1 1 0  0  18  o 318.7459 6.288312 2083.000       82.00147 2083.000       82.00147 2083.000       82.00147 318.7459 6.288312 318.7459 6.288312 -0.000000      0.000000 
1 1 1 0  0  21  o 379.3352 7.200813 2950.000       111.7573 2950.000       111.7573 2950.000       111.7573 379.3352 7.200813 379.3352 7.200813 -0.000000      0.000000 
1 1 1 0  0  24  o 206.7287 4.843945 876.6000       40.95298 876.6000       40.95298 876.6000       40.95298 206.7287 4.843945 206.7287 4.843945 0.000000       0.000000 
1 1 1 0  0  27  o 442.2600 8.206670 4013.000       148.5018 4013.000       148.5018 4013.000       148.5018 442.2600 8.206670 442.2600 8.206670 -0.000000      0.000000 
1 1 1 0  0  30  f 337.4839 6.612522 2338.000       91.29948 2338.000       91.29948 2338.000       91.29948 337.4839 6.612522 337.4839 6.612522 0.000000       0.000000 
1 1 1 0  0  33  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0  0  36  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0  0  39  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0  0  42  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  -44 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  -43 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  -42 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  -41 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  -40 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  -39 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  -38 o 119.8665 4.565510 299.4000       22.33450 299.4000       22.33450 299.4000       22.33450 119.8665 4.565510 119.8665 4.565510 0.000000       0.000000 
1 1 1 1  0  -37 o 43.79366 7.027437 43.08000       11.62985 43.08000       11.62985 43.08000       11.62985 43.79366 7.027437 43.79366 7.027437 0.000000       0.000000 
1 1 1 1  0  -36 o 90.80020 4.462135 171.5000       16.49851 171.5000       16.49851 171.5000       16.49851 90.80020 4.462135 90.80020 4.462135 -0.000000      0.000000 
1 1 1 1  0  -35 o 108.6308 2.927331 242.8705       12.99977 242.8705       12.99977 242.8705       12.99977 108.6308 2.927331 108.6308 2.927331 -0.000000      0.000000 
1 1 1 1  0  -34 o 10.30798 6.470840 1.178638       5.690113 1.178638       5.690113 1.178638       5.690113 10.30798 6.470840 10.30798 6.470840 0.000000       0.000000 
1 1 1 1  0  -33 o 124.1459 3.020714 316.7389       15.33505 316.7389       15.33505 316.7389       15.33505 124.1459 3.020714 124.1459 3.020714 -0.000000      0.000000 
1 1 1 1  0  -32 o 58.46494 3.765912 71.01899       8.928592 71.01899       8.928592 71.01899       8.928592 58.46494 3.765912 58.46494 3.765912 0.000000       0.000000 
1 1 1 1  0  -31 o 296.2188 4.282735 1802.039       51.92228 1802.039       51.92228 1802.039       51.92228 296.2188 4.282735 296.2188 4.282735 0.000000       0.000000 
1 1 1 1  0  -30 o 115.1105 3.213525 272.2081       15.12011 272.2081       15.12011 272.2081       15.12011 115.1105 3.213525 115.1105 3.213525 0.000000       0.000000 
1 1 1 1  0  -29 o 40.31448 6.256887 35.67783       9.588095 35.67783       9.588095 35.67783       9.588095 40.31448 6.256887 40.31448 6.256887 0.000000       0.000000 
1 1 1 1  0  -28 o 24.15504 9.863279 16.74618       9.595737 16.74618       9.595737 16.74618       9.595737 24.15504 9.863279 24.15504 9.863279 -0.000000      0.000000 
1 1 1 1  0  -27 o 168.1597 3.314162 579.9332       22.80023 579.9332       22.80023 579.9332       22.80023 168.1597 3.314162 168.1597 3.314162 0.000000       0.000000 
1 1 1 1  0  -26 o 244.1351 3.814978 1221.885       38.11603 1221.885       38.11603 1221.885       38.11603 244.1351 3.814978 244.1351 3.814978 -0.000000      0.000000 
1 1 1 1  0  -25 o 105.7238 4.429954 230.2000       19.10095 230.2000       19.10095 230.2000       19.10095 105.7238 4.429954 105.7238 4.429954 -0.000000      0.000000 
1 1 1 1  0  -24 o 453.2829 8.386154 4219.000       155.5325 4219.000       155.5325 4219.000       155.5325 453.2829 8.386154 453.2829 8.386154 0.000000       0.000000 
1 1 1 1  0  -23 o 133.0155 4.266436 363.5000       23.18344 363.5000       23.18344 363.5000       23.18344 133.0155 4.266436 133.0155 4.266436 -0.000000      0.000000 
1 1 1 1  0  -22 o 162.9343 4.402289 544.9000       29.32232 544.9000       29.32232 544.9000       29.32232 162.9343 4.402289 162.9343 4.402289 0.000000       0.000000 
1 1 1 1  0  -21 o 575.0549 7.289505 6779.034       171.5831 6779.034       171.5831 6779.034       171.5831 575.0549 7.289505 575.0549 7.289505 0.000000       0.000000 
1 1 1 1  0  -20 o 102.2938 2.981627 214.8092       12.46496 214.8092       12.46496 214.8092       12.46496 102.2938 2.981627 102.2938 2.981627 0.000000       0.000000 
1 1 1 1  0  -19 o 549.0830 6.988927 6180.159       157.0777 6180.159       157.0777 6180.159       157.0777 549.0830 6.988927 549.0830 6.988927 0.000000       0.000000 
1 1 1 1  0  -18 o 113.3484 4.194643 264.2000       19.40801 264.2000       19.40801 264.2000       19.40801 113.3484 4.194643 113.3484 4.194643 -0.000000      0.000000 
1 1 1 1  0  -17 o 322.3600 4.494269 2129.604       59.29724 2129.604       59.29724 2129.604       59.29724 322.3600 4.494269 322.3600 4.494269 0.000000       0.000000 
1 1 1 1  0  -16 o 36.52534 4.181006 28.37996       6.041182 28.37996       6.041182 28.37996       6.041182 36.52534 4.181006 36.52534 4.181006 0.000000       0.000000 
1 1 1 1  0  -15 o 283.1888 4.084187 1643.499       47.33719 1643.499       47.33719 1643.499       47.33719 283.1888 4.084187 283.1888 4.084187 -0.000000      0.000000 
1 1 1 1  0  -14 o 39.61563 3.514342 32.89064       5.592852 32.89064       5.592852 32.89064       5.592852 39.61563 3.514342 39.61563 3.514342 0.000000       0.000000 
1 1 1 1  0  -13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  -12 o 612.3136 7.698730 7685.882       192.9580 7685.882       192.9580 7685.882       192.9580 612.3136 7.698730 612.3136 7.698730 0.000000       0.000000 
1 1 1 1  0  -11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  -10 o 78.02163 3.506031 125.4000       11.14932 125.4000       11.14932 125.4000       11.14932 78.02163 3.506031 78.02163 3.506031 -0.000000      0.000000 
1 1 1 1  0  -9  o 957.5569 16.63674 18840.00       651.8706 18840.00       651.8706 18840.00       651.8706 957.5569 16.63674 957.5569 16.63674 0.000000       0.000000 
1 1 1 1  0  -8  o 327.1062 6.380605 2194.000       85.38905 2194.000       85.38905 2194.000       85.38905 327.1062 6.380605 327.1062 6.380605 -0.000000      0.000000 
1 1 1 1  0  -7  o 524.8430 9.461015 5650.000       203.1764 5650.000       203.1764 5650.000       203.1764 524.8430 9.461015 524.8430 9.461015 0.000000       0.000000 
1 1 1 1  0  -6  o 36.98413 4.025542 28.99000       5.913181 28.99000       5.913181 28.99000       5.913181 36.98413 4.025542 36.98413 4.025542 0.000000       0.000000 
1 1 1 1  0  -5  o 391.3774 7.342666 3141.000       117.5788 3141.000       117.5788 3141.000       117.5788 391.3774 7.342666 391.3774 7.342666 -0.000000      0.000000 
1 1 1 1  0  -4  o 375.6777 7.095174 2894.000       109.0569 2894.000       109.0569 2894.000       109.0569 375.6777 7.095174 375.6777 7.095174 -0.000000      0.000000 
1 1 1 1  0  -3  o 870.1495 15.15586 15550.00       539.6370 15550.00       539.6370 15550.00       539.6370 870.1495 15.15586 870.1495 15.15586 -0.000000      0.000000 
1 1 1 1  0  -2  o 551.0621 9.874764 6229.000       222.6574 6229.000       222.6574 6229.000       222.6574 551.0621 9.874764 551.0621 9.874764 0.000000       0.000000 
1 1 1 1  0  -1  f 51.34884 3.362695 54.68000       6.999839 54.68000       6.999839 54.68000       6.999839 51.34884 3.362695 51.34884 3.362695 0.000000       0.000000 
1 1 1 1  0  0   o 483.5284 8.785877 4795.000       173.8233 4795.000       173.8233 4795.000       173.8233 483.5284 8.785877 483.5284 8.785877 -0.000000      0.000000 
1 1 1 1  0  1   f 378.0720 7.121783 2931.000       110.1640 2931.000       110.1640 2931.000       110.1640 378.0720 7.121783 378.0720 7.121783 -0.000000      0.000000 
1 1 1 1  0  2   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  3   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  4   o 660.6907 11.67080 8957.000       315.5131 8957.000       315.5131 8957.000       315.5131 660.6907 11.67080 660.6907 11.67080 0.000000       0.000000 
1 1 1 1  0  5   o 548.1808 9.833907 6164.000       220.5764 6164.000       220.5764 6164.000       220.5764 548.1808 9.833907 548.1808 9.833907 -0.000000      0.000000 
1 1 1 1  0  6   o 312.4980 4.347587 2000.874       55.60714 2000.874       55.60714 2000.874       55.60714 312.4980 4.347587 312.4980 4.347587 0.000000       0.000000 
1 1 1 1  0  7   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  8   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  9   o 98.31461 2.605712 198.3228       10.47319 198.3228       10.47319 198.3228       10.47319 98.31461 2.605712 98.31461 2.605712 -0.000000      0.000000 
1 1 1 1  0  10  o 172.7707 4.324709 612.4000       30.55176 612.4000       30.55176 612.4000       30.55176 172.7707 4.324709 172.7707 4.324709 -0.000000      0.000000 
1 1 1 1  0  11  o 356.1662 4.823184 2599.302       70.31233 2599.302       70.31233 2599.302       70.31233 356.1662 4.823184 356.1662 4.823184 -0.000000      0.000000 
1 1 1 1  0  12  o 359.3144 4.861750 2645.574       71.50107 2645.574       71.50107 2645.574       71.50107 359.3144 4.861750 359.3144 4.861750 0.000000       0.000000 
1 1 1 1  0  13  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  14  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  15  o 471.3747 6.102654 4554.960       117.7458 4554.960       117.7458 4554.960       117.7458 471.3747 6.102654 471.3747 6.102654 0.000000       0.000000 
1 1 1 1  0  16  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  17  o 258.5505 3.837113 1369.920       40.60306 1369.920       40.60306 1369.920       40.60306 258.5505 3.837113 258.5505 3.837113 -0.000000      0.000000 
1 1 1 1  0  18  o 69.65861 4.097261 100.4000       11.59333 100.4000       11.59333 100.4000       11.59333 69.65861 4.097261 69.65861 4.097261 0.000000       0.000000 
1 1 1 1  0  19  o 161.9250 4.306973 538.1000       28.51120 538.1000       28.51120 538.1000       28.51120 161.9250 4.306973 161.9250 4.306973 -0.000000      0.000000 
1 1 1 1  0  20  o 297.5264 4.262746 1813.954       51.90850 1813.954       51.90850 1813.954       51.90850 297.5264 4.262746 297.5264 4.262746 0.000000       0.000000 
1 1 1 1  0  21  o 113.7520 2.998992 265.5062       13.94684 265.5062       13.94684 265.5062       13.94684 113.7520 2.998992 113.7520 2.998992 0.000000       0.000000 
1 1 1 1  0  22  o 156.3460 3.130163 501.1463       20.02098 501.1463       20.02098 501.1463       20.02098 156.3460 3.130163 156.3460 3.130163 0.000000       0.000000 
1 1 1 1  0  23  o 689.6730 8.628139 9758.379       243.5744 9758.379       243.5744 9758.379       243.5744 689.6730 8.628139 689.6730 8.628139 -0.000000      0.000000 
1 1 1 1  0  24  o 329.1255 4.605145 2220.361       62.03513 2220.361       62.03513 2220.361       62.03513 329.1255 4.605145 329.1255 4.605145 0.000000       0.000000 
1 1 1 1  0  25  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  26  o 560.2216 7.150103 6442.142       163.9597 6442.142       163.9597 6442.142       163.9597 560.2216 7.150103 560.2216 7.150103 0.000000       0.000000 
1 1 1 1  0  27  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  28  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  29  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  30  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  31  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  32  o 53.86823 7.166260 62.97000       15.02603 62.97000       15.02603 62.97000       15.02603 53.86823 7.166260 53.86823 7.166260 0.000000       0.000000 
1 1 1 1  0  33  o 18.76507 10.50649 10.06000       12.11927 10.06000       12.11927 10.06000       12.11927 18.76507 10.50649 18.76507 10.50649 -0.000000      0.000000 
1 1 1 1  0  34  o 14.27100 9.081841 1.498000       11.64895 1.498000       11.64895 1.498000       11.64895 14.27100 9.081841 14.27100 9.081841 0.000000       0.000000 
1 1 1 1  0  35  o 12.07947 8.038570 -2.827000      10.69211 -2.827000      10.69211 -2.827000      10.69211 12.07947 8.038570 12.07947 8.038570 -0.000000      0.000000 
1 1 1 1  0  36  o 11.69256 7.779121 -2.543000      10.00233 -2.543000      10.00233 -2.543000      10.00233 11.69256 7.779121 11.69256 7.779121 0.000000       0.000000 
1 1 1 1  0  37  o 89.86942 4.568099 168.5000       16.71054 168.5000       16.71054 168.5000       16.71054 89.86942 4.568099 89.86942 4.568099 -0.000000      0.000000 
1 1 1 1  0  38  o 66.18284 5.268328 92.94000       14.06286 92.94000       14.06286 92.94000       14.06286 66.18284 5.268328 66.18284 5.268328 -0.000000      0.000000 
1 1 1 1  0  39  o 95.71889 4.564916 191.9000       17.79871 191.9000       17.79871 191.9000       17.79871 95.71889 4.564916 95.71889 4.564916 -0.000000      0.000000 
1 1 1 1  0  40  o 21.16655 10.68256 15.02000       11.46077 15.02000       11.46077 15.02000       11.46077 21.16655 10.68256 21.16655 10.68256 -0.000000      0.000000 
1 1 1 1  0  41  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  42  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  43  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  0  44  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  1  0   o 397.8794 5.258815 3241.996       85.67689 3106.000       116.8699 3400.000       125.9723 389.3962 7.329705 407.4023 7.551394 -18.00613      10.52369 
1 1 1 1  1  1   o 588.9476 5.241924 7105.203       126.4130 7446.214       186.5662 6815.749       171.8848 602.7438 7.559200 576.6856 7.279040 26.05823       10.49409 
1 1 1 1  1  2   o 293.8416 3.395895 1768.142       40.85940 1664.000       67.73089 1827.726       51.23153 284.9963 5.803943 298.7345 4.188202 -13.73816      7.157290 
1 1 1 1  1  3   o 273.2973 3.225214 1529.508       36.09262 1498.351       43.53475 1598.000       64.54676 270.4862 3.930669 279.2921 5.644058 -8.805817      6.877903 
1 1 1 1  1  4   o 238.5482 3.624145 1165.349       35.40023 1134.000       49.20000 1199.000       50.97411 235.2885 5.106695 241.9369 5.145446 -6.648392      7.249410 
1 1 1 1  1  5   o 278.8917 4.020394 1592.943       45.91225 1568.000       64.23177 1619.000       65.65094 276.6572 5.670006 281.1194 5.703294 -4.462158      8.042171 
1 1 1 1  1  6   o 849.4742 10.46228 14804.92       363.9158 14830.00       515.4355 14780.00       513.8774 849.2975 14.82143 847.8694 14.80151 1.428162       20.94659 
1 1 1 1  1  7   o 613.1411 7.700823 7705.656       193.3401 7794.000       276.3866 7621.000       270.5550 616.2873 10.95240 609.4233 10.84207 6.864014       15.41121 
1 1 1 1  1  8   o 309.1852 4.342233 1957.894       54.97386 2044.000       80.31726 1882.000       75.40463 315.8510 6.210152 303.0809 6.075962 12.77011       8.688112 
1 1 1 1  1  9   o 520.4977 6.644297 5551.594       141.6095 5606.000       201.9839 5499.000       198.5912 522.8063 9.435210 517.7996 9.366427 5.006653       13.29485 
1 1 1 1  1  10  f 351.9839 4.793527 2537.806       69.08795 2571.000       98.76515 2506.000       96.67849 354.1876 6.809983 349.6846 6.751945 4.502930       9.589819 
1 1 1 1  1  11  o 97.60670 2.801421 195.2516       11.18492 195.2000       16.07622 195.3000       15.57158 97.54063 4.033779 97.57209 3.905359 -0.3146362E-01 5.614552 
1 1 1 1  1  12  o 86.52725 2.859017 153.4880       10.11573 152.6000       14.63701 154.3000       13.99611 86.21239 4.158542 86.70404 3.952641 -0.4916534     5.737320 
1 1 1 1  1  13  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  1  14  o 213.1985 2.428444 930.8150       21.20004 920.5180       29.79369 941.3756       30.17268 211.9915 3.432270 214.3797 3.437208 -2.388123      4.857456 
1 1 1 1  1  15  o 337.1033 3.286184 2327.659       45.36065 2290.805       63.46200 2366.154       64.86015 334.3483 4.635432 339.8008 4.661538 -5.452423      6.573976 
1 1 1 1  1  16  o 371.1910 3.546088 2822.382       53.89784 2851.181       77.02016 2794.745       75.45020 372.9806 5.043056 369.2748 4.989837 3.705780       7.094427 
1 1 1 1  1  17  o 235.6514 2.986486 1137.315       28.81741 1181.549       36.21851 1061.000       47.57302 240.1692 3.682891 227.5341 5.106107 12.63510       6.295714 
1 1 1 1  1  18  o 375.1306 7.151008 2886.000       109.8435 0.000000       0.000000 2886.000       109.8435 ?        ?        375.1306 7.151008 ?              ?        
1 1 1 1  1  19  o 778.5311 9.707133 12443.86       309.4506 12320.00       435.6536 12570.00       439.6320 773.5643 13.75373 781.3777 13.74054 -7.813416      19.44139 
1 1 1 1  1  20  o 498.2472 4.547974 5085.573       92.78703 5202.595       134.2105 4978.428       128.4221 503.7918 6.505955 492.8315 6.363805 10.96030       9.100850 
1 1 1 1  1  21  o 57.08150 2.505210 66.85045       5.841237 69.65108       7.711235 63.07988       8.947443 58.22676 3.247137 55.35130 3.974174 2.875454       5.132052 
1 1 1 1  1  22  o 273.7133 3.317806 1534.474       37.18530 1555.853       45.96895 1494.000       63.24936 275.5855 4.073651 269.9730 5.721520 5.612518       7.023562 
1 1 1 1  1  23  o 198.1719 2.437650 804.2584       19.78053 805.6861       27.84944 802.8049       28.10003 198.3215 3.429431 197.9655 3.466514 0.3560791      4.876240 
1 1 1 1  1  24  o 253.8448 2.762856 1319.834       28.71778 1308.035       40.25397 1332.064       40.98196 252.6536 3.890978 254.9618 3.925483 -2.308197      5.527126 
1 1 1 1  1  25  o 154.9672 3.071693 491.9997       19.49135 497.3000       26.44903 485.7000       28.83514 155.7014 4.152224 153.8408 4.582585 1.860580       6.183935 
1 1 1 1  1  26  o 122.2584 2.921277 306.2405       14.62433 289.0000       18.89476 332.0000       23.09591 118.6706 3.893697 127.1597 4.442514 -8.489059      5.907352 
1 1 1 1  1  27  o 293.7140 3.551840 1768.483       42.71716 1752.000       74.14922 1776.670       52.26100 291.9587 6.202414 294.3005 4.336728 -2.341797      7.568167 
1 1 1 1  1  28  o 96.60660 3.944458 191.7648       15.57056 0.000000       0.000000 191.7648       15.57056 ?        ?        96.60660 3.944458 ?              ?        
1 1 1 1  1  29  o 235.8937 3.878300 1142.066       37.46124 1179.000       55.42367 1111.000       50.83026 239.3481 5.655107 232.4084 5.341290 6.939743       7.778792 
1 1 1 1  1  30  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1  1  31  o 75.44513 4.138711 117.4370       12.73662 98.95000       21.18601 127.9000       15.93843 68.55368 7.679157 78.61388 4.976879 -10.06020      9.150889 
1 1 1 1  1  32  o 152.0686 3.373763 475.3893       21.00770 496.8000       32.01540 459.2000       27.83918 154.9831 5.051620 149.1363 4.564153 5.846863       6.808110 
1 1 1 1  1  33  o 66.87378 4.133479 92.62015       11.26337 82.78000       18.40689 98.51000       14.24071 62.42379 7.341403 68.77621 5.092858 -6.352417      8.934954 
1 1 1 1  1  34  o 114.4620 3.318566 270.1792       15.53737 254.1000       23.48252 282.7000       20.72184 110.4190 5.208375 116.7903 4.340639 -6.371277      6.779994 
1 1 1 1  1  35  o 62.01353 6.551596 82.04000       16.38514 82.04000       16.38514 0.000000       0.000000 62.01353 6.551596 ?        ?        ?              ?        
1 1 1 1  1  36  o 94.89111 5.194090 189.4000       20.10481 189.4000       20.10481 0.000000       0.000000 94.89111 5.194090 ?        ?        ?              ?        
1 1 1 1  1  37  o 70.09155 6.072845 105.4000       17.25759 105.4000       17.25759 0.000000       0.000000 70.09155 6.072845 ?        ?        ?              ?        
1 1 1 1  1  38  o 96.87912 5.220622 199.6000       20.63334 199.6000       20.63334 0.000000       0.000000 96.87912 5.220622 ?        ?        ?              ?        
1 1 1 1  1  39  o 35.59290 9.582380 30.84000       14.27339 30.84000       14.27339 0.000000       0.000000 35.59290 9.582380 ?        ?        ?              ?        
1 1 1 1  1  40  o 23.29701 9.485280 8.944000       14.22272 8.944000       14.22272 0.000000       0.000000 23.29701 9.485280 ?        ?        ?              ?        
1 1 1 1  1  41  o 45.79726 8.931940 51.39000       16.14799 51.39000       16.14799 0.000000       0.000000 45.79726 8.931940 ?        ?        ?              ?        
1 1 1 1  1  42  o 31.25080 7.608549 23.34519       9.643605 17.94000       15.64114 26.66000       12.24876 27.41016 10.29036 32.67057 8.911338 -5.260414      13.61262 
1 1 1 1  1  43  o 56.69603 4.704226 69.97321       10.82283 68.62000       17.57402 70.80000       13.73684 52.96195 8.382408 55.93848 6.095747 -2.976528      10.36450 
1 1 1 1  1  44  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  0  -44 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  0  -43 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  0  -42 o 17.65662 10.99014 7.482000       16.05406 7.482000       16.05406 7.482000       16.05406 17.65662 10.99014 17.65662 10.99014 0.000000       0.000000 
1 1 1 2  0  -41 o 40.71417 11.30620 44.44000       16.30382 44.44000       16.30382 44.44000       16.30382 40.71417 11.30620 40.71417 11.30620 0.000000       0.000000 
1 1 1 2  0  -40 o 47.62849 8.711581 53.70000       15.31039 53.70000       15.31039 53.70000       15.31039 47.62849 8.711581 47.62849 8.711581 0.000000       0.000000 
1 1 1 2  0  -39 o 74.06420 5.576931 117.0000       16.68749 117.0000       16.68749 117.0000       16.68749 74.06420 5.576931 74.06420 5.576931 0.000000       0.000000 
1 1 1 2  0  -38 o 39.31549 4.498887 33.26894       6.997259 33.26894       6.997259 33.26894       6.997259 39.31549 4.498887 39.31549 4.498887 0.000000       0.000000 
1 1 1 2  0  -37 o 119.7225 3.055212 295.5735       14.95553 295.5735       14.95553 295.5735       14.95553 119.7225 3.055212 119.7225 3.055212 0.000000       0.000000 
1 1 1 2  0  -36 o 54.03892 3.796010 61.05548       8.302655 61.05548       8.302655 61.05548       8.302655 54.03892 3.796010 54.03892 3.796010 -0.000000      0.000000 
1 1 1 2  0  -35 o 22.55952 8.423666 14.25388       7.246816 14.25388       7.246816 14.25388       7.246816 22.55952 8.423666 22.55952 8.423666 0.000000       0.000000 
1 1 1 2  0  -34 o 73.30697 3.518001 111.1806       10.50438 111.1806       10.50438 111.1806       10.50438 73.30697 3.518001 73.30697 3.518001 -0.000000      0.000000 
1 1 1 2  0  -33 o 77.78125 3.643593 125.0555       11.54636 125.0555       11.54636 125.0555       11.54636 77.78125 3.643593 77.78125 3.643593 0.000000       0.000000 
1 1 1 2  0  -32 o 138.7406 3.279638 395.5284       18.60824 395.5284       18.60824 395.5284       18.60824 138.7406 3.279638 138.7406 3.279638 0.000000       0.000000 
1 1 1 2  0  -31 o 105.9875 3.469937 231.1151       15.02256 231.1151       15.02256 231.1151       15.02256 105.9875 3.469937 105.9875 3.469937 0.000000       0.000000 
1 1 1 2  0  -30 o 260.8941 4.034791 1397.029       43.07999 1397.029       43.07999 1397.029       43.07999 260.8941 4.034791 260.8941 4.034791 0.000000       0.000000 
1 1 1 2  0  -29 o 38.47188 8.980355 34.96786       12.29830 34.96786       12.29830 34.96786       12.29830 38.47188 8.980355 38.47188 8.980355 -0.000000      0.000000 
1 1 1 2  0  -28 o 54.68871 6.184462 63.68605       13.39337 63.68605       13.39337 63.68605       13.39337 54.68871 6.184462 54.68871 6.184462 -0.000000      0.000000 
1 1 1 2  0  -27 o 249.2170 3.973678 1273.600       40.52712 1273.600       40.52712 1273.600       40.52712 249.2170 3.973678 249.2170 3.973678 0.000000       0.000000 
1 1 1 2  0  -26 o 90.93645 5.798429 171.6000       21.38718 171.6000       21.38718 171.6000       21.38718 90.93645 5.798429 90.93645 5.798429 0.000000       0.000000 
1 1 1 2  0  -25 o 198.0849 3.544189 804.4716       28.72625 804.4716       28.72625 804.4716       28.72625 198.0849 3.544189 198.0849 3.544189 0.000000       0.000000 
1 1 1 2  0  -24 o 200.3055 3.527411 822.5087       28.91143 822.5087       28.91143 822.5087       28.91143 200.3055 3.527411 200.3055 3.527411 -0.000000      0.000000 
1 1 1 2  0  -23 o 545.9658 6.974940 6112.590       155.8729 6112.590       155.8729 6112.590       155.8729 545.9658 6.974940 545.9658 6.974940 -0.000000      0.000000 
1 1 1 2  0  -22 o 197.0146 3.424749 795.5701       27.60931 795.5701       27.60931 795.5701       27.60931 197.0146 3.424749 197.0146 3.424749 0.000000       0.000000 
1 1 1 2  0  -21 o 761.1826 9.457330 11884.46       294.6665 11884.46       294.6665 11884.46       294.6665 761.1826 9.457330 761.1826 9.457330 0.000000       0.000000 
1 1 1 2  0  -20 o 712.1734 8.879745 10400.63       258.8562 10400.63       258.8562 10400.63       258.8562 712.1734 8.879745 712.1734 8.879745 -0.000000      0.000000 
1 1 1 2  0  -19 f 464.5280 6.038894 4422.549       114.8229 4422.549       114.8229 4422.549       114.8229 464.5280 6.038894 464.5280 6.038894 -0.000000      0.000000 
1 1 1 2  0  -18 o 772.8742 9.588226 12253.67       303.3339 12253.67       303.3339 12253.67       303.3339 772.8742 9.588226 772.8742 9.588226 -0.000000      0.000000 
1 1 1 2  0  -17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  0  -16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  0  -15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  0  -14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  0  -13 o 253.2883 5.466274 1316.000       56.63361 1316.000       56.63361 1316.000       56.63361 253.2883 5.466274 253.2883 5.466274 -0.000000      0.000000 
1 1 1 2  0  -12 o 103.0183 4.164803 218.4000       17.50306 218.4000       17.50306 218.4000       17.50306 103.0183 4.164803 103.0183 4.164803 -0.000000      0.000000 
1 1 1 2  0  -11 o 230.5270 5.133394 1090.000       48.40212 1090.000       48.40212 1090.000       48.40212 230.5270 5.133394 230.5270 5.133394 0.000000       0.000000 
1 1 1 2  0  -10 o 511.4531 9.277351 5366.000       194.1475 5366.000       194.1475 5366.000       194.1475 511.4531 9.277351 511.4531 9.277351 -0.000000      0.000000 
1 1 1 2  0  -9  o 176.8800 4.460809 641.9000       32.26208 641.9000       32.26208 641.9000       32.26208 176.8800 4.460809 176.8800 4.460809 0.000000       0.000000 
1 1 1 2  0  -8  o 732.4037 12.87044 11010.00       385.7144 11010.00       385.7144 11010.00       385.7144 732.4037 12.87044 732.4037 12.87044 0.000000       0.000000 
1 1 1 2  0  -7  o 447.9456 8.251141 4115.000       151.2276 4115.000       151.2276 4115.000       151.2276 447.9456 8.251141 447.9456 8.251141 0.000000       0.000000 
1 1 1 2  0  -6  o 293.3855 5.909190 1765.000       70.92401 1765.000       70.92401 1765.000       70.92401 293.3855 5.909190 293.3855 5.909190 0.000000       0.000000 
1 1 1 2  0  -5  o 634.9506 11.26163 8272.000       292.5885 8272.000       292.5885 8272.000       292.5885 634.9506 11.26163 634.9506 11.26163 0.000000       0.000000 
1 1 1 2  0  -4  o 519.1492 9.373777 5528.000       199.1186 5528.000       199.1186 5528.000       199.1186 519.1492 9.373777 519.1492 9.373777 0.000000       0.000000 
1 1 1 2  0  -3  o 182.1744 4.429041 680.8000       32.99448 680.8000       32.99448 680.8000       32.99448 182.1744 4.429041 182.1744 4.429041 -0.000000      0.000000 
1 1 1 2  0  -2  o 115.1760 3.766353 272.5000       17.71956 272.5000       17.71956 272.5000       17.71956 115.1760 3.766353 115.1760 3.766353 0.000000       0.000000 
1 1 1 2  0  -1  o 62.98703 3.555702 82.01000       9.103310 82.01000       9.103310 82.01000       9.103310 62.98703 3.555702 62.98703 3.555702 0.000000       0.000000 
1 1 1 2  0  0   o 86.95451 3.563365 155.6000       12.63899 155.6000       12.63899 155.6000       12.63899 86.95451 3.563365 86.95451 3.563365 -0.000000      0.000000 
1 1 1 2  0  1   o 999.0034 17.32775 20510.00       708.3353 20510.00       708.3353 20510.00       708.3353 999.0034 17.32775 999.0034 17.32775 -0.000000      0.000000 
1 1 1 2  0  2   o 155.6619 4.099935 497.2000       26.09169 497.2000       26.09169 497.2000       26.09169 155.6619 4.099935 155.6619 4.099935 0.000000       0.000000 
1 1 1 2  0  3   o 285.1261 5.753160 1667.000       67.10713 1667.000       67.10713 1667.000       67.10713 285.1261 5.753160 285.1261 5.753160 -0.000000      0.000000 
1 1 1 2  0  4   o 91.92416 3.557344 173.8000       13.34436 173.8000       13.34436 173.8000       13.34436 91.92416 3.557344 91.92416 3.557344 0.000000       0.000000 
1 1 1 2  0  5   o 350.8445 6.723123 2524.000       96.50508 2524.000       96.50508 2524.000       96.50508 350.8445 6.723123 350.8445 6.723123 0.000000       0.000000 
1 1 1 2  0  6   o 1033.375 17.91851 21950.00       757.6864 21950.00       757.6864 21950.00       757.6864 1033.375 17.91851 1033.375 17.91851 -0.000000      0.000000 
1 1 1 2  0  7   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  0  8   o 731.4153 9.085704 10966.49       272.0170 10966.49       272.0170 10966.49       272.0170 731.4153 9.085704 731.4153 9.085704 0.000000       0.000000 
1 1 1 2  0  9   o 820.0601 14.33392 13810.00       480.9896 13810.00       480.9896 13810.00       480.9896 820.0601 14.33392 820.0601 14.33392 -0.000000      0.000000 
1 1 1 2  0  10  o 316.1000 6.253407 2049.000       80.86899 2049.000       80.86899 2049.000       80.86899 316.1000 6.253407 316.1000 6.253407 0.000000       0.000000 
1 1 1 2  0  11  o 350.6778 6.768722 2522.000       97.11228 2522.000       97.11228 2522.000       97.11228 350.6778 6.768722 350.6778 6.768722 -0.000000      0.000000 
1 1 1 2  0  12  o 332.0981 6.500335 2262.000       88.31836 2262.000       88.31836 2262.000       88.31836 332.0981 6.500335 332.0981 6.500335 0.000000       0.000000 
1 1 1 2  0  13  o 247.9439 5.325169 1261.000       54.00809 1261.000       54.00809 1261.000       54.00809 247.9439 5.325169 247.9439 5.325169 -0.000000      0.000000 
1 1 1 2  0  14  o 189.1070 4.640026 733.8000       35.88073 733.8000       35.88073 733.8000       35.88073 189.1070 4.640026 189.1070 4.640026 -0.000000      0.000000 
1 1 1 2  0  15  o 135.5310 4.209378 377.3000       23.30938 377.3000       23.30938 377.3000       23.30938 135.5310 4.209378 135.5310 4.209378 -0.000000      0.000000 
1 1 1 2  0  16  o 553.6630 9.974764 6295.000       225.9720 6295.000       225.9720 6295.000       225.9720 553.6630 9.974764 553.6630 9.974764 -0.000000      0.000000 
1 1 1 2  0  17  o 43.06377 6.647450 40.61000       10.89146 40.61000       10.89146 40.61000       10.89146 43.06377 6.647450 43.06377 6.647450 0.000000       0.000000 
1 1 1 2  0  18  o 110.2798 4.297490 250.2000       19.33891 250.2000       19.33891 250.2000       19.33891 110.2798 4.297490 110.2798 4.297490 -0.000000      0.000000 
1 1 1 2  0  19  f 323.0124 6.429663 2140.000       84.96566 2140.000       84.96566 2140.000       84.96566 323.0124 6.429663 323.0124 6.429663 0.000000       0.000000 
1 1 1 2  0  20  o 250.5853 5.484618 1288.000       56.21554 1288.000       56.21554 1288.000       56.21554 250.5853 5.484618 250.5853 5.484618 -0.000000      0.000000 
1 1 1 2  0  21  o 63.77681 6.080423 85.57000       15.52674 85.57000       15.52674 85.57000       15.52674 63.77681 6.080423 63.77681 6.080423 0.000000       0.000000 
1 1 1 2  0  22  o 332.3525 6.622829 2266.000       90.04873 2266.000       90.04873 2266.000       90.04873 332.3525 6.622829 332.3525 6.622829 -0.000000      0.000000 
1 1 1 2  0  23  o 188.8749 5.094968 732.4000       39.33917 732.4000       39.33917 732.4000       39.33917 188.8749 5.094968 188.8749 5.094968 -0.000000      0.000000 
1 1 1 2  0  24  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  0  25  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  0  26  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  0  27  o 62.52215 10.16296 86.47000       23.95616 86.47000       23.95616 86.47000       23.95616 62.52215 10.16296 62.52215 10.16296 0.000000       0.000000 
1 1 1 2  0  28  o 325.0265 6.780735 2172.000       90.15568 2172.000       90.15568 2172.000       90.15568 325.0265 6.780735 325.0265 6.780735 -0.000000      0.000000 
1 1 1 2  0  29  o 168.8048 5.735559 587.0000       39.54084 587.0000       39.54084 587.0000       39.54084 168.8048 5.735559 168.8048 5.735559 0.000000       0.000000 
1 1 1 2  0  30  o 38.13389 15.23250 41.90000       23.04050 41.90000       23.04050 41.90000       23.04050 38.13389 15.23250 38.13389 15.23250 0.000000       0.000000 
1 1 1 2  0  31  o 25.53283 13.98525 19.32000       20.93997 19.32000       20.93997 19.32000       20.93997 25.53283 13.98525 25.53283 13.98525 0.000000       0.000000 
1 1 1 2  0  32  o 166.9737 5.329592 575.5000       36.35484 575.5000       36.35484 575.5000       36.35484 166.9737 5.329592 166.9737 5.329592 0.000000       0.000000 
1 1 1 2  0  33  o 24.29893 13.01851 18.13000       17.75758 18.13000       17.75758 18.13000       17.75758 24.29893 13.01851 24.29893 13.01851 -0.000000      0.000000 
1 1 1 2  0  34  o 53.36503 9.024943 64.25000       18.02770 64.25000       18.02770 64.25000       18.02770 53.36503 9.024943 53.36503 9.024943 -0.000000      0.000000 
1 1 1 2  0  35  o 87.06905 5.806672 159.2000       20.48767 159.2000       20.48767 159.2000       20.48767 87.06905 5.806672 87.06905 5.806672 0.000000       0.000000 
1 1 1 2  0  36  o 17.69255 10.88493 6.216000       15.30853 6.216000       15.30853 6.216000       15.30853 17.69255 10.88493 17.69255 10.88493 0.000000       0.000000 
1 1 1 2  0  37  o 56.03915 7.646757 69.70000       16.62243 69.70000       16.62243 69.70000       16.62243 56.03915 7.646757 56.03915 7.646757 -0.000000      0.000000 
1 1 1 2  0  38  o 27.07263 12.45827 23.73000       15.14249 23.73000       15.14249 23.73000       15.14249 27.07263 12.45827 27.07263 12.45827 0.000000       0.000000 
1 1 1 2  0  39  o 15.59233 10.07561 1.768000       15.04305 1.768000       15.04305 1.768000       15.04305 15.59233 10.07561 15.59233 10.07561 0.000000       0.000000 
1 1 1 2  0  40  o 15.72304 10.12210 2.706000       14.99696 2.706000       14.99696 2.706000       14.99696 15.72304 10.12210 15.72304 10.12210 -0.000000      0.000000 
1 1 1 2  0  41  o 40.68184 11.69170 45.08000       16.88503 45.08000       16.88503 45.08000       16.88503 40.68184 11.69170 40.68184 11.69170 -0.000000      0.000000 
1 1 1 2  0  42  o 20.41699 11.69205 14.10000       15.46799 14.10000       15.46799 14.10000       15.46799 20.41699 11.69205 20.41699 11.69205 0.000000       0.000000 
1 1 1 2  0  43  o 77.53510 6.262433 131.6000       19.57443 131.6000       19.57443 131.6000       19.57443 77.53510 6.262433 77.53510 6.262433 -0.000000      0.000000 
1 1 1 2  0  44  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  1  -44 o 19.44343 9.115210 -6.703000      18.28313 -6.703000      18.28313 0.000000       0.000000 19.44343 9.115210 ?        ?        ?              ?        
1 1 1 2  1  -43 o 19.23908 9.011750 -8.038000      17.80634 -8.038000      17.80634 0.000000       0.000000 19.23908 9.011750 ?        ?        ?              ?        
1 1 1 2  1  -42 o 77.10075 4.151143 126.8130       13.05709 141.5000       21.55506 118.3000       16.41058 78.95048 6.731759 73.35577 5.503552 5.594711       8.695152 
1 1 1 2  1  -41 o 21.02479 8.116825 8.385385       9.903625 9.083000       17.69152 8.067000       11.95179 24.41564 10.31116 21.75233 8.753114 2.663309       13.52542 
1 1 1 2  1  -40 o 14.62823 6.716669 -4.783652      9.169995 3.453000       17.45598 -7.923000      10.77677 22.65154 9.907330 15.04620 7.035763 7.605340       12.15143 
1 1 1 2  1  -39 o 52.92142 5.537002 60.86092       11.82122 52.56000       18.43284 66.66000       15.40667 46.26355 10.02079 54.45992 7.076023 -8.196373      12.26729 
1 1 1 2  1  -38 o 47.83462 5.839786 49.65689       11.20150 44.02000       17.52566 53.55000       14.56474 42.70551 10.16888 48.83944 7.524223 -6.133923      12.64991 
1 1 1 2  1  -37 o 76.46671 4.085862 122.3599       12.74679 107.2000       19.53519 133.6000       16.82112 70.17169 6.887418 79.38692 5.203337 -9.215233      8.631989 
1 1 1 2  1  -36 o 73.40899 4.181478 112.5180       12.51709 101.7000       19.89993 119.6000       16.10115 68.48013 7.204598 75.27364 5.256878 -6.793510      8.918576 
1 1 1 2  1  -35 o 108.0847 3.572724 241.8105       15.79033 235.5000       24.18382 246.5000       20.84755 105.8287 5.600750 108.7017 4.694825 -2.873047      7.308200 
1 1 1 2  1  -34 o 118.1138 3.586033 288.1546       17.32351 263.1000       25.98465 308.2000       23.24237 112.1131 5.678751 121.7884 4.669337 -9.675377      7.351934 
1 1 1 2  1  -33 o 26.15941 8.675666 13.94590       10.83648 1.404000       18.67754 20.31000       13.30474 24.61484 10.50247 30.78222 9.557076 -6.167377      14.19999 
1 1 1 2  1  -32 o 93.94802 4.015459 182.1528       15.41148 170.2000       24.57574 189.9000       19.78526 90.16285 6.704619 95.70627 5.066723 -5.543419      8.403785 
1 1 1 2  1  -31 o 42.64162 7.373877 38.85940       12.40949 47.81000       21.58429 34.44000       15.16679 46.53616 11.41513 39.71702 9.461480 6.819141       14.82649 
1 1 1 2  1  -30 o 149.2493 2.458229 456.6949       15.02308 456.9048       20.37571 456.4449       22.23792 149.1960 3.335271 149.0840 3.642828 0.1120300      4.939052 
1 1 1 2  1  -29 o 236.8880 3.850266 1151.870       37.34720 1131.000       50.08793 1178.000       56.04683 234.4793 5.216800 239.1868 5.722548 -4.707458      7.743550 
1 1 1 2  1  -28 o 184.1108 2.913288 694.7834       21.96276 680.0660       26.62805 726.1000       38.84277 182.0980 3.571163 187.9317 5.052193 -5.833649      6.186910 
1 1 1 2  1  -27 f 198.4239 2.580165 806.6624       20.96360 817.4038       29.79465 796.1312       29.50155 199.6700 3.644190 197.0537 3.656249 2.616226       5.162197 
1 1 1 2  1  -26 o 112.4717 3.569773 259.5430       16.41942 0.000000       0.000000 259.5430       16.41942 ?        ?        112.4717 3.569773 ?              ?        
1 1 1 2  1  -25 o 195.8123 2.940064 785.5157       23.57334 801.7000       43.19943 778.6530       28.13083 197.6004 5.343979 194.9275 3.524399 2.672897       6.401523 
1 1 1 2  1  -24 o 408.4768 3.866332 3419.241       64.66821 3482.129       93.07904 3360.559       89.91246 412.0193 5.517088 404.7757 5.424766 7.243622       7.737335 
1 1 1 2  1  -23 o 163.5234 2.596988 547.6426       17.38898 531.0000       28.54446 557.4636       21.92741 160.9139 4.336106 164.9678 3.246114 -4.053940      5.416555 
1 1 1 2  1  -22 o 268.5246 2.846066 1476.725       31.29345 1469.481       44.23079 1483.985       44.28050 267.8225 4.033232 269.1417 4.017974 -1.319183      5.693073 
1 1 1 2  1  -21 o 601.3242 5.374112 7410.016       132.3244 7425.116       187.7193 7395.103       186.5560 601.6517 7.619728 600.4392 7.587796 1.212524       10.75337 
1 1 1 2  1  -20 o 227.1905 2.570086 1056.960       23.90905 1022.000       33.15949 1094.817       34.50567 223.3803 3.625255 231.2008 3.644826 -7.820450      5.140742 
1 1 1 2  1  -19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  1  -18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  1  -17 o 494.9434 9.050727 5030.000       183.4271 0.000000       0.000000 5030.000       183.4271 ?        ?        494.9434 9.050727 ?              ?        
1 1 1 2  1  -16 o 227.0966 5.162185 1057.000       48.00301 0.000000       0.000000 1057.000       48.00301 ?        ?        227.0966 5.162185 ?              ?        
1 1 1 2  1  -15 o 324.3036 6.439345 2157.000       85.51018 0.000000       0.000000 2157.000       85.51018 ?        ?        324.3036 6.439345 ?              ?        
1 1 1 2  1  -14 o 116.0063 4.258043 276.1000       20.19197 0.000000       0.000000 276.1000       20.19197 ?        ?        116.0063 4.258043 ?              ?        
1 1 1 2  1  -13 o 273.1838 4.059914 1528.888       45.41468 1487.000       63.41144 1573.000       65.07288 269.3310 5.749855 277.0106 5.736926 -7.679596      8.122386 
1 1 1 2  1  -12 f 113.1761 2.988452 262.4998       13.83711 267.5000       19.99004 257.9000       19.17278 114.1916 4.282777 112.1261 4.183270 2.065475       5.986813 
1 1 1 2  1  -11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  1  -10 o 110.9963 4.176271 252.7000       18.94725 252.7000       18.94725 0.000000       0.000000 110.9963 4.176271 ?        ?        ?              ?        
1 1 1 2  1  -9  o 593.2463 10.60023 7223.000       257.4986 7223.000       257.4986 0.000000       0.000000 593.2463 10.60023 ?        ?        ?              ?        
1 1 1 2  1  -8  o 876.3510 10.79155 15760.25       387.2456 15960.00       554.4493 15570.00       541.0909 880.8324 15.37249 870.0527 15.18799 10.77966       21.60991 
1 1 1 2  1  -7  o 659.5536 8.248261 8917.896       222.7599 8865.000       313.2672 8972.000       316.8229 657.1688 11.64163 661.1138 11.70351 -3.944946      16.50756 
1 1 1 2  1  -6  o 205.6590 3.386502 866.1346       28.51829 842.6000       39.71038 891.2000       40.98154 202.8235 4.781471 208.5904 4.798103 -5.766968      6.773792 
1 1 1 2  1  -5  f 248.9533 3.763906 1269.253       38.36905 1305.000       55.27031 1236.000       53.30699 252.3997 5.347843 245.6377 5.299865 6.762054       7.529143 
1 1 1 2  1  -4  o 692.7520 8.628953 9839.433       244.7712 9858.000       346.7870 9821.000       345.5339 692.9081 12.22258 691.6100 12.20127 1.298096       17.27027 
1 1 1 2  1  -3  o 80.76369 2.709420 133.7138       8.947498 140.0000       12.79616 127.7000       12.51585 82.59422 3.793734 78.86947 3.887471 3.724747       5.431837 
1 1 1 2  1  -2  o 313.7653 4.388960 2016.344       56.38855 1971.000       78.37658 2065.000       81.18864 310.1613 6.171267 317.4684 6.245547 -7.307098      8.780170 
1 1 1 2  1  -1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  1  0   o 252.5757 3.773426 1306.460       39.02580 1264.000       53.96758 1353.000       56.50119 248.4043 5.305782 256.9991 5.369101 -8.594849      7.548415 
1 1 1 2  1  1   o 441.0682 4.691223 3984.641       84.72591 4020.560       104.5700 3916.000       144.5564 443.0041 5.764677 437.0716 8.077188 5.932495       9.923329 
1 1 1 2  1  2   o 374.8267 3.553967 2877.137       54.54667 2866.482       76.97229 2887.887       77.31010 374.0867 5.025019 375.4807 5.028335 -1.393982      7.108796 
1 1 1 2  1  3   o 728.5476 6.390657 10875.53       190.6461 11105.50       274.9537 10662.59       264.5742 735.9111 9.124515 721.1074 8.960314 14.80371       12.78843 
1 1 1 2  1  4   o 584.0585 5.205593 6987.677       124.4947 6927.327       174.6959 7049.953       177.4609 581.3817 7.338325 586.5007 7.389411 -5.118958      10.41414 
1 1 1 2  1  5   f 184.4837 2.235547 696.8705       16.88753 702.4481       24.00790 691.4080       23.75920 185.2116 3.165640 183.7505 3.157760 1.461121       4.471323 
1 1 1 2  1  6   o 1117.896 11.14309 25646.72       510.0720 25317.23       616.7306 26360.00       907.4132 1110.055 13.56834 1130.521 19.60208 -20.46594      23.83991 
1 1 1 2  1  7   o 83.46035 1.865600 142.6212       6.375630 147.5088       9.201928 138.1085       8.841853 84.83408 2.652271 82.08440 2.634031 2.749680       3.738002 
1 1 1 2  1  8   o 525.5407 4.738963 5657.213       101.9798 5815.530       147.8286 5513.459       140.8656 532.7183 6.776982 518.7087 6.632192 14.00958       9.482270 
1 1 1 2  1  9   o 557.3641 5.767775 6364.795       131.6351 6404.440       162.0901 6288.000       225.5944 558.9954 7.081475 553.5984 9.951970 5.396912       12.21429 
1 1 1 2  1  10  o 202.9279 3.335717 843.3215       27.71758 843.3215       27.71758 0.000000       0.000000 202.9279 3.335717 ?        ?        ?              ?        
1 1 1 2  1  11  o 304.4652 4.304376 1898.838       53.66267 1898.838       53.66267 0.000000       0.000000 304.4652 4.304376 ?        ?        ?              ?        
1 1 1 2  1  12  f 536.5957 6.839131 5903.788       150.2701 5903.788       150.2701 0.000000       0.000000 536.5957 6.839131 ?        ?        ?              ?        
1 1 1 2  1  13  o 132.8724 2.864429 361.5756       15.58466 361.5756       15.58466 0.000000       0.000000 132.8724 2.864429 ?        ?        ?              ?        
1 1 1 2  1  14  o 272.0654 2.821677 1515.947       31.43439 1488.109       43.83572 1545.416       45.10117 269.5122 3.972147 274.6509 4.010350 -5.138702      5.644542 
1 1 1 2  1  15  o 329.9970 4.579281 2231.491       61.87736 0.000000       0.000000 2231.491       61.87736 ?        ?        329.9970 4.579281 ?              ?        
1 1 1 2  1  16  o 364.9601 4.040814 2728.770       60.38634 2607.000       100.7963 2796.943       75.41887 356.5024 6.904905 369.4284 4.985691 -12.92603      8.516738 
1 1 1 2  1  17  o 112.6580 2.281698 259.8956       10.52555 265.9000       17.16479 256.2772       13.32477 113.8755 3.686011 111.8266 2.912460 2.048828       4.697776 
1 1 1 2  1  18  o 188.7662 3.295381 729.7791       25.47148 0.000000       0.000000 729.7791       25.47148 ?        ?        188.7662 3.295381 ?              ?        
1 1 1 2  1  19  o 332.7982 4.628147 2268.947       63.06851 0.000000       0.000000 2268.947       63.06851 ?        ?        332.7982 4.628147 ?              ?        
1 1 1 2  1  20  o 311.7253 3.623615 1990.238       46.25285 2142.000       85.28208 1926.995       55.05297 323.2581 6.442939 306.7053 4.383642 16.55280       7.792803 
1 1 1 2  1  21  o 204.4680 2.873471 856.1731       24.05784 864.8000       43.24665 852.3070       28.95096 205.3704 5.146744 203.9934 3.465951 1.377014       6.204981 
1 1 1 2  1  22  o 597.0671 6.175403 7309.469       150.9777 7635.000       272.6940 7165.576       181.3006 609.2538 10.93083 590.9540 7.492405 18.29980       13.25214 
1 1 1 2  1  23  o 857.0281 8.654813 15092.84       303.7226 14850.00       518.4885 15219.71       374.7503 847.0479 14.94881 859.8193 10.64414 -12.77142      18.35115 
1 1 1 2  1  24  o 264.6720 4.086547 1435.681       44.28830 1410.000       63.50419 1460.000       61.79692 262.1462 5.916084 266.7784 5.657073 -4.632141      8.185507 
1 1 1 2  1  25  o 69.53165 5.221951 99.74000       14.75894 0.000000       0.000000 99.74000       14.75894 ?        ?        69.53165 5.221951 ?              ?        
1 1 1 2  1  26  o 60.92110 5.843270 76.91000       14.39783 0.000000       0.000000 76.91000       14.39783 ?        ?        60.92110 5.843270 ?              ?        
1 1 1 2  1  27  f 225.5579 3.866303 1043.289       35.70905 1034.000       53.01970 1051.000       48.30884 224.2571 5.778680 226.2420 5.214697 -1.984894      7.783714 
1 1 1 2  1  28  o 91.20323 4.293941 171.0986       15.99078 168.3000       30.09035 172.2000       18.87697 89.88417 8.268177 91.41411 5.062840 -1.529938      9.695107 
1 1 1 2  1  29  o 236.0875 4.027085 1144.376       38.93035 1136.000       58.58450 1151.000       52.09649 234.7155 6.100773 236.5080 5.379455 -1.792496      8.133755 
1 1 1 2  1  30  o 234.5540 4.213276 1130.997       40.46572 1190.000       58.53868 1077.000       56.00005 240.1051 5.954113 228.3318 5.994783 11.77339       8.449194 
1 1 1 2  1  31  o 109.6286 6.499462 250.0000       29.04507 250.0000       29.04507 0.000000       0.000000 109.6286 6.499462 ?        ?        ?              ?        
1 1 1 2  1  32  o 29.34157 11.90353 9.191000       22.30510 9.191000       22.30510 0.000000       0.000000 29.34157 11.90353 ?        ?        ?              ?        
1 1 1 2  1  33  o 92.57200 4.794113 177.8670       18.11049 166.8000       25.40630 189.3000       25.82298 88.94109 7.033345 94.91077 6.687371 -5.969673      9.705095 
1 1 1 2  1  34  o 33.51488 9.768490 24.93697       14.22382 16.00000       18.98590 36.37000       21.47419 30.04228 11.32470 39.97882 12.09148 -9.936539      16.56662 
1 1 1 2  1  35  o 75.57385 4.881164 119.5666       15.02417 117.5000       20.24487 122.1000       22.41528 74.18495 6.738040 75.34148 7.359574 -1.156525      9.978202 
1 1 1 2  1  36  o 44.42207 7.366807 43.43513       12.93072 52.97000       18.43458 34.20000       18.14251 48.05985 9.702270 38.11761 11.00964 9.942234       14.67468 
1 1 1 2  1  37  o 23.40621 8.836921 9.905972       11.57075 27.42000       16.90062 -5.546000      15.87455 34.10074 10.79809 20.00019 9.048329 14.10055       14.08797 
1 1 1 2  1  38  o 20.67422 8.294770 5.917737       10.69931 4.280000       16.28346 7.162000       14.19322 23.12196 9.833914 23.15566 9.457430 -0.3369713E-01 13.64364 
1 1 1 2  1  39  o 67.28939 4.825586 96.79022       13.20773 86.83000       19.92289 104.6000       17.64157 61.43223 8.118667 68.95184 6.318548 -7.519604      10.28770 
1 1 1 2  1  40  o 18.18274 7.829260 1.656842       10.55622 2.758000       16.15703 0.8367000      13.94380 21.82051 9.537998 20.00772 8.799664 1.812788       12.97719 
1 1 1 2  1  41  o 35.68813 8.147763 30.74563       11.64386 17.89000       17.44705 41.07000       15.63533 27.73614 10.75555 40.26795 9.615494 -12.53181      14.42704 
1 1 1 2  1  42  o 25.33058 8.910385 15.13005       11.46552 10.48000       17.31644 18.76000       15.29960 24.65561 10.29307 27.70988 10.22058 -3.054270      14.50543 
1 1 1 2  1  43  o 59.13770 5.444003 77.74167       13.03495 82.87000       19.68902 73.74000       17.39229 57.95283 8.553882 55.30347 7.904952 2.649357       11.64720 
1 1 1 2  1  44  o 46.82937 10.99961 62.65000       20.73090 62.65000       20.73090 0.000000       0.000000 46.82937 10.99961 ?        ?        ?              ?        
1 1 1 2  2  0   o 989.0811 12.10676 20057.12       490.3252 19780.00       684.0284 20350.00       703.2190 981.5519 17.01909 995.5565 17.25044 -14.00458      24.23277 
1 1 1 2  2  1   o 930.7569 8.072998 17758.64       307.6773 17909.74       438.7379 17612.43       431.5930 934.1138 11.47046 926.3467 11.37827 7.767090       16.15663 
1 1 1 2  2  2   o 351.5364 3.912621 2530.828       56.31999 2457.016       67.37753 2702.000       102.6049 346.3480 4.750923 363.1174 6.900753 -16.76941      8.378046 
1 1 1 2  2  3   o 372.4241 4.092481 2840.597       62.40924 2792.984       75.42119 2944.000       111.1472 369.2609 4.988106 379.0163 7.161701 -9.755432      8.727609 
1 1 1 2  2  4   o 985.2979 9.854822 19913.11       397.5949 20144.36       492.4295 19480.00       673.9077 990.5251 12.14099 972.7616 16.91880 17.76355       20.82425 
1 1 1 2  2  5   o 312.2755 3.586991 1996.998       45.86618 1983.526       55.81929 2025.000       80.47630 311.2015 4.380445 314.3781 6.251603 -3.176575      7.633534 
1 1 1 2  2  6   o 190.0207 3.250454 739.4099       25.29119 728.7000       35.15467 750.9000       36.41280 188.6210 4.551648 191.4710 4.644368 -2.850052      6.502895 
1 1 1 2  2  7   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  2  8   o 216.8981 4.975692 963.7000       44.19099 0.000000       0.000000 963.7000       44.19099 ?        ?        216.8981 4.975692 ?              ?        
1 1 1 2  2  9   o 313.6266 4.404330 2014.756       56.56102 2042.000       80.35344 1988.000       79.63018 315.6671 6.216569 311.4640 6.243749 4.203094       8.810797 
1 1 1 2  2  10  o 243.0422 3.051940 1209.669       30.37260 1219.154       37.29828 1191.000       52.32855 243.9779 3.733480 241.0984 5.300538 2.879501       6.483408 
1 1 1 2  2  11  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2  2  12  o 170.0954 2.587358 592.4974       18.02077 588.0811       21.88419 601.8000       31.76179 169.4501 3.154017 171.3221 4.531569 -1.871979      5.521136 
1 1 1 2  2  13  o 190.7198 3.363911 745.0482       26.27027 764.4000       37.81667 727.0000       36.52076 193.1357 4.781854 188.2937 4.740510 4.842010       6.733392 
1 1 1 2  2  14  f 182.6768 3.218627 683.5185       24.07568 707.8000       33.82983 658.6000       34.27075 185.8566 4.445263 179.2121 4.674152 6.644501       6.450431 
1 1 1 2  2  15  o 341.4006 3.852957 2387.746       53.86205 2370.370       65.51015 2424.000       94.62640 340.1052 4.704039 343.7682 6.722366 -3.663055      8.204766 
1 1 1 2  2  16  o 395.0342 4.317158 3197.182       69.83241 3199.769       85.50642 3192.000       121.0112 395.1252 5.284935 394.4367 7.492450 0.6884460      9.168825 
1 1 1 2  2  17  o 431.9159 4.647999 3822.105       82.20338 3826.671       100.7277 3813.000       142.2407 432.0968 5.693027 431.0930 8.058024 1.003784       9.866220 
1 1 1 2  2  18  o 723.2927 7.357631 10728.02       217.9097 10692.62       266.1545 10800.00       379.5189 721.8101 9.005056 724.5407 12.79223 -2.730652      15.64392 
1 1 1 2  2  19  o 445.0277 4.769497 4057.434       86.91286 4027.384       105.7441 4120.000       152.5838 443.3057 5.825434 448.1483 8.315002 -4.842560      10.15258 
1 1 1 2  2  20  o 457.7454 4.888664 4292.964       91.63020 4333.908       113.1610 4215.000       156.1528 459.8379 6.009903 453.2477 8.413754 6.590179       10.33974 
1 1 1 2  2  21  o 753.3558 7.660810 11643.89       236.3194 11591.86       288.5008 11750.00       411.9864 751.2816 9.378209 755.1937 13.32294 -3.912109      16.29268 
1 1 1 2  2  22  o 103.9448 2.630483 221.4146       11.18700 220.5749       13.56486 223.2000       19.78023 103.7242 3.197644 104.2606 4.644920 -0.5364609     5.639168 
1 1 1 2  2  23  f 255.3357 3.149560 1335.522       32.92955 1325.318       39.70602 1358.000       58.93399 254.3267 3.812765 257.3268 5.593149 -3.000122      6.769083 
1 1 1 2  2  24  o 133.0714 2.653792 362.7184       14.46025 360.1071       17.62263 368.1000       25.29900 132.5759 3.246248 133.9111 4.620761 -1.335205      5.647084 
1 1 1 2  2  25  o 407.0794 7.743759 3409.000       129.0789 0.000000       0.000000 3409.000       129.0789 ?        ?        407.0794 7.743759 ?              ?        
1 1 1 2  2  26  o 206.5912 3.854037 875.0425       32.60259 857.4000       48.76690 889.3000       43.83973 204.2297 5.837511 208.1532 5.143521 -3.923492      7.780253 
1 1 1 2  2  27  o 88.79058 3.652598 161.9310       13.25150 160.6000       30.27770 162.2464       14.73800 87.79567 8.529568 88.84332 4.062001 -1.047646      9.447401 
1 1 1 2  2  28  o 152.4088 3.906022 476.9512       24.35628 473.2000       40.35848 479.1000       30.54600 151.4159 6.524683 152.6263 4.893981 -1.210449      8.156135 
1 1 1 2  2  29  f 156.1139 4.276303 501.1130       27.31023 502.9000       45.40357 500.1000       34.18594 155.8017 7.135890 155.7649 5.367884 0.3681946E-01  8.929451 
1 1 1 2  2  30  o 120.8193 3.243053 299.8664       16.02958 376.9000       35.90956 280.6968       17.91335 134.8055 6.524840 116.8240 3.749584 17.98145       7.525485 
1 1 1 2  2  31  o 108.9322 3.332324 244.0439       14.84625 268.6000       31.50657 237.0353       16.83210 113.4947 6.810886 107.2758 3.838065 6.218903       7.817859 
1 1 1 2  2  32  o 150.4561 3.056834 465.2454       18.83242 490.2000       36.73692 456.3500       21.93361 153.5490 5.853658 148.9010 3.597395 4.647995       6.870703 
1 1 1 2  2  33  o 90.66669 3.513484 169.6369       13.01929 178.4000       27.51235 167.1084       14.77875 91.77773 7.383173 89.87675 4.025963 1.900978       8.409495 
1 1 1 2  2  34  o 56.58516 4.786713 66.99411       10.98689 35.43000       23.29025 76.02884       12.46048 39.51443 12.69419 60.22029 5.101161 -20.70586      13.68080 
1 1 1 2  2  35  o 103.2326 3.277202 220.3438       13.83547 238.5000       26.36459 213.4436       16.25329 106.1528 6.091051 101.3870 3.922425 4.765816       7.244744 
1 1 1 2  2  36  o 71.84402 4.334272 108.0481       12.69132 96.81000       21.11969 114.4000       15.87791 66.30789 7.935966 73.53600 5.308873 -7.228104      9.547967 
1 1 1 2  2  37  o 83.36726 4.294004 145.8588       14.60887 157.6000       22.00134 136.6000       19.53754 85.46630 6.331773 79.73195 6.028973 5.734352       8.742990 
1 1 1 2  2  38  o 18.25733 7.917333 0.3016510      10.94767 0.9329000      17.75028 -0.8589000E-01 13.90797 22.72615 9.963893 20.15987 8.829784 2.566278       13.31331 
1 1 1 2  2  39  o 55.73395 5.612746 67.72284       12.63487 93.73000       20.45170 51.67000       16.06789 63.78521 8.006351 46.66598 8.729623 17.11923       11.84517 
1 1 1 2  2  40  o 33.19734 10.08077 28.36000       14.90533 0.000000       0.000000 28.36000       14.90533 ?        ?        33.19734 10.08077 ?              ?        
1 1 1 2  2  41  o 45.49052 8.865164 50.61000       15.91952 0.000000       0.000000 50.61000       15.91952 ?        ?        45.49052 8.865164 ?              ?        
1 1 1 2  2  42  f 24.01126 9.645672 11.29000       14.48717 0.000000       0.000000 11.29000       14.48717 ?        ?        24.01126 9.645672 ?              ?        
1 1 1 2  2  43  o 15.75739 7.597880 -15.73000      14.63867 0.000000       0.000000 -15.73000      14.63867 ?        ?        15.75739 7.597880 ?              ?        
1 1 1 2  2  44  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  0  -44 o 29.58080 14.04379 33.26000       19.34879 33.26000       19.34879 33.26000       19.34879 29.58080 14.04379 29.58080 14.04379 -0.000000      0.000000 
1 1 1 3  0  -43 o 23.01604 12.96194 20.07000       18.58212 20.07000       18.58212 20.07000       18.58212 23.01604 12.96194 23.01604 12.96194 0.000000       0.000000 
1 1 1 3  0  -42 o 75.91752 7.244155 128.0000       22.01885 128.0000       22.01885 128.0000       22.01885 75.91752 7.244155 75.91752 7.244155 0.000000       0.000000 
1 1 1 3  0  -41 o 14.78069 9.950509 -3.652000      17.25009 -3.652000      17.25009 -3.652000      17.25009 14.78069 9.950509 14.78069 9.950509 0.000000       0.000000 
1 1 1 3  0  -40 o 69.80270 3.640458 101.9243       10.34026 101.9243       10.34026 101.9243       10.34026 69.80270 3.640458 69.80270 3.640458 0.000000       0.000000 
1 1 1 3  0  -39 o 52.22458 4.224152 57.76247       8.892863 57.76247       8.892863 57.76247       8.892863 52.22458 4.224152 52.22458 4.224152 0.000000       0.000000 
1 1 1 3  0  -38 o 90.48169 3.400261 169.6822       12.55743 169.6822       12.55743 169.6822       12.55743 90.48169 3.400261 90.48169 3.400261 0.000000       0.000000 
1 1 1 3  0  -37 o 14.89415 8.439630 6.380356       7.941619 6.380356       7.941619 6.380356       7.941619 14.89415 8.439630 14.89415 8.439630 0.000000       0.000000 
1 1 1 3  0  -36 o 66.17126 4.098486 91.39582       11.00626 91.39582       11.00626 91.39582       11.00626 66.17126 4.098486 66.17126 4.098486 0.000000       0.000000 
1 1 1 3  0  -35 o 54.39386 4.836060 62.54301       10.56632 62.54301       10.56632 62.54301       10.56632 54.39386 4.836060 54.39386 4.836060 0.000000       0.000000 
1 1 1 3  0  -34 o 41.89085 6.585562 38.91383       10.46294 38.91383       10.46294 38.91383       10.46294 41.89085 6.585562 41.89085 6.585562 -0.000000      0.000000 
1 1 1 3  0  -33 f 112.4762 3.617235 260.6577       16.62043 260.6577       16.62043 260.6577       16.62043 112.4762 3.617235 112.4762 3.617235 0.000000       0.000000 
1 1 1 3  0  -32 o 26.76796 10.82567 20.72519       11.59176 20.72519       11.59176 20.72519       11.59176 26.76796 10.82567 26.76796 10.82567 0.000000       0.000000 
1 1 1 3  0  -31 o 34.03830 13.88601 33.79000       19.02403 33.79000       19.02403 33.79000       19.02403 34.03830 13.88601 34.03830 13.88601 -0.000000      0.000000 
1 1 1 3  0  -30 f 132.8224 3.781102 362.6875       20.52662 362.6875       20.52662 362.6875       20.52662 132.8224 3.781102 132.8224 3.781102 -0.000000      0.000000 
1 1 1 3  0  -29 o 346.8087 6.883366 2476.000       97.66277 2476.000       97.66277 2476.000       97.66277 346.8087 6.883366 346.8087 6.883366 -0.000000      0.000000 
1 1 1 3  0  -28 o 61.34080 5.843914 79.28779       14.35334 79.28779       14.35334 79.28779       14.35334 61.34080 5.843914 61.34080 5.843914 -0.000000      0.000000 
1 1 1 3  0  -27 o 159.7510 3.556588 523.6344       23.23889 523.6344       23.23889 523.6344       23.23889 159.7510 3.556588 159.7510 3.556588 0.000000       0.000000 
1 1 1 3  0  -26 o 58.51551 5.068425 71.74754       11.92584 71.74754       11.92584 71.74754       11.92584 58.51551 5.068425 58.51551 5.068425 -0.000000      0.000000 
1 1 1 3  0  -25 o 37.27187 7.389279 31.61973       10.02118 31.61973       10.02118 31.61973       10.02118 37.27187 7.389279 37.27187 7.389279 0.000000       0.000000 
1 1 1 3  0  -24 o 194.7309 3.498308 777.4166       27.87412 777.4166       27.87412 777.4166       27.87412 194.7309 3.498308 194.7309 3.498308 -0.000000      0.000000 
1 1 1 3  0  -23 o 61.51900 3.892335 78.44047       9.713829 78.44047       9.713829 78.44047       9.713829 61.51900 3.892335 61.51900 3.892335 -0.000000      0.000000 
1 1 1 3  0  -22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  0  -21 o 348.8186 6.879288 2496.000       98.17169 2496.000       98.17169 2496.000       98.17169 348.8186 6.879288 348.8186 6.879288 0.000000       0.000000 
1 1 1 3  0  -20 o 229.8684 5.319460 1084.000       50.00872 1084.000       50.00872 1084.000       50.00872 229.8684 5.319460 229.8684 5.319460 -0.000000      0.000000 
1 1 1 3  0  -19 o 246.9519 5.519120 1251.000       55.74637 1251.000       55.74637 1251.000       55.74637 246.9519 5.519120 246.9519 5.519120 0.000000       0.000000 
1 1 1 3  0  -18 o 466.1254 8.629710 4458.000       164.5840 4458.000       164.5840 4458.000       164.5840 466.1254 8.629710 466.1254 8.629710 -0.000000      0.000000 
1 1 1 3  0  -17 o 333.0940 6.633020 2276.000       90.38863 2276.000       90.38863 2276.000       90.38863 333.0940 6.633020 333.0940 6.633020 -0.000000      0.000000 
1 1 1 3  0  -16 o 718.7659 12.70426 10620.00       373.6416 10620.00       373.6416 10620.00       373.6416 718.7659 12.70426 718.7659 12.70426 0.000000       0.000000 
1 1 1 3  0  -15 o 111.9193 4.499942 257.8000       20.54634 257.8000       20.54634 257.8000       20.54634 111.9193 4.499942 111.9193 4.499942 0.000000       0.000000 
1 1 1 3  0  -14 o 99.85399 4.555886 205.5000       18.53927 205.5000       18.53927 205.5000       18.53927 99.85399 4.555886 99.85399 4.555886 0.000000       0.000000 
1 1 1 3  0  -13 o 333.9590 6.601635 2288.000       90.19574 2288.000       90.19574 2288.000       90.19574 333.9590 6.601635 333.9590 6.601635 0.000000       0.000000 
1 1 1 3  0  -12 o 78.60447 4.704410 127.9000       15.01638 127.9000       15.01638 127.9000       15.01638 78.60447 4.704410 78.60447 4.704410 0.000000       0.000000 
1 1 1 3  0  -11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  0  -10 o 707.5784 12.48935 10280.00       361.6044 10280.00       361.6044 10280.00       361.6044 707.5784 12.48935 707.5784 12.48935 -0.000000      0.000000 
1 1 1 3  0  -9  o 312.9166 6.262335 2008.000       80.16720 2008.000       80.16720 2008.000       80.16720 312.9166 6.262335 312.9166 6.262335 0.000000       0.000000 
1 1 1 3  0  -8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  0  -7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  0  -6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  0  -5  o 337.9548 6.588346 2342.000       91.09341 2342.000       91.09341 2342.000       91.09341 337.9548 6.588346 337.9548 6.588346 -0.000000      0.000000 
1 1 1 3  0  -4  o 510.5826 9.255629 5347.000       193.3634 5347.000       193.3634 5347.000       193.3634 510.5826 9.255629 510.5826 9.255629 -0.000000      0.000000 
1 1 1 3  0  -3  o 188.8623 4.569017 731.7000       35.28727 731.7000       35.28727 731.7000       35.28727 188.8623 4.569017 188.8623 4.569017 0.000000       0.000000 
1 1 1 3  0  -2  o 689.6324 12.16741 9760.000       343.3487 9760.000       343.3487 9760.000       343.3487 689.6324 12.16741 689.6324 12.16741 0.000000       0.000000 
1 1 1 3  0  -1  o 845.2166 14.74937 14670.00       510.1146 14670.00       510.1146 14670.00       510.1146 845.2166 14.74937 845.2166 14.74937 -0.000000      0.000000 
1 1 1 3  0  0   o 488.4390 8.893851 4893.000       177.7460 4893.000       177.7460 4893.000       177.7460 488.4390 8.893851 488.4390 8.893851 0.000000       0.000000 
1 1 1 3  0  1   o 383.0012 7.241187 3008.000       113.4708 3008.000       113.4708 3008.000       113.4708 383.0012 7.241187 383.0012 7.241187 0.000000       0.000000 
1 1 1 3  0  2   o 1093.341 18.92579 24580.00       846.7215 24580.00       846.7215 24580.00       846.7215 1093.341 18.92579 1093.341 18.92579 -0.000000      0.000000 
1 1 1 3  0  3   o 558.5670 10.01377 6400.000       228.8666 6400.000       228.8666 6400.000       228.8666 558.5670 10.01377 558.5670 10.01377 -0.000000      0.000000 
1 1 1 3  0  4   o 199.2857 4.648377 814.6000       37.88507 814.6000       37.88507 814.6000       37.88507 199.2857 4.648377 199.2857 4.648377 -0.000000      0.000000 
1 1 1 3  0  5   o 215.9009 4.851044 956.0000       42.83696 956.0000       42.83696 956.0000       42.83696 215.9009 4.851044 215.9009 4.851044 -0.000000      0.000000 
1 1 1 3  0  6   o 346.3663 6.678330 2460.000       94.63756 2460.000       94.63756 2460.000       94.63756 346.3663 6.678330 346.3663 6.678330 0.000000       0.000000 
1 1 1 3  0  7   o 266.3726 5.528773 1455.000       60.24491 1455.000       60.24491 1455.000       60.24491 266.3726 5.528773 266.3726 5.528773 -0.000000      0.000000 
1 1 1 3  0  8   o 902.1314 15.70682 16720.00       579.8097 16720.00       579.8097 16720.00       579.8097 902.1314 15.70682 902.1314 15.70682 0.000000       0.000000 
1 1 1 3  0  9   o 201.0245 4.674509 828.9000       38.43074 828.9000       38.43074 828.9000       38.43074 201.0245 4.674509 201.0245 4.674509 0.000000       0.000000 
1 1 1 3  0  10  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  0  11  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  0  12  o 411.4027 5.437082 3468.735       91.55594 3468.735       91.55594 3468.735       91.55594 411.4027 5.437082 411.4027 5.437082 0.000000       0.000000 
1 1 1 3  0  13  o 308.9451 4.346225 1956.023       54.95716 1956.023       54.95716 1956.023       54.95716 308.9451 4.346225 308.9451 4.346225 0.000000       0.000000 
1 1 1 3  0  14  o 85.58585 2.693713 150.4362       9.418930 150.4362       9.418930 150.4362       9.418930 85.58585 2.693713 85.58585 2.693713 -0.000000      0.000000 
1 1 1 3  0  15  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  0  16  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  0  17  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  0  18  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  0  19  o 102.6339 4.557658 217.0000       19.06768 217.0000       19.06768 217.0000       19.06768 102.6339 4.557658 102.6339 4.557658 -0.000000      0.000000 
1 1 1 3  0  20  o 579.4566 10.41341 6892.000       246.9005 6892.000       246.9005 6892.000       246.9005 579.4566 10.41341 579.4566 10.41341 -0.000000      0.000000 
1 1 1 3  0  21  o 236.8646 5.376125 1151.000       52.08209 1151.000       52.08209 1151.000       52.08209 236.8646 5.376125 236.8646 5.376125 -0.000000      0.000000 
1 1 1 3  0  22  o 292.6444 6.108983 1757.000       73.13180 1757.000       73.13180 1757.000       73.13180 292.6444 6.108983 292.6444 6.108983 0.000000       0.000000 
1 1 1 3  0  23  o 141.8696 4.903286 413.8000       28.40676 413.8000       28.40676 413.8000       28.40676 141.8696 4.903286 141.8696 4.903286 0.000000       0.000000 
1 1 1 3  0  24  o 28.04051 13.49807 23.78000       17.94179 23.78000       17.94179 23.78000       17.94179 28.04051 13.49807 28.04051 13.49807 -0.000000      0.000000 
1 1 1 3  0  25  o 411.8543 7.889820 3485.000       132.9461 3485.000       132.9461 3485.000       132.9461 411.8543 7.889820 411.8543 7.889820 0.000000       0.000000 
1 1 1 3  0  26  o 25.68475 14.32242 18.53000       22.40991 18.53000       22.40991 18.53000       22.40991 25.68475 14.32242 25.68475 14.32242 0.000000       0.000000 
1 1 1 3  0  27  o 396.8094 7.731085 3238.000       125.5090 3238.000       125.5090 3238.000       125.5090 396.8094 7.731085 396.8094 7.731085 -0.000000      0.000000 
1 1 1 3  0  28  o 95.72407 8.244002 192.6000       31.73960 192.6000       31.73960 192.6000       31.73960 95.72407 8.244002 95.72407 8.244002 0.000000       0.000000 
1 1 1 3  0  29  o 160.3576 6.305217 530.8000       41.25564 530.8000       41.25564 530.8000       41.25564 160.3576 6.305217 160.3576 6.305217 0.000000       0.000000 
1 1 1 3  0  30  f 89.03131 8.555055 168.1000       30.48427 168.1000       30.48427 168.1000       30.48427 89.03131 8.555055 89.03131 8.555055 -0.000000      0.000000 
1 1 1 3  0  31  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  0  32  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  0  33  f 241.5050 5.983908 1207.000       59.09254 1207.000       59.09254 1207.000       59.09254 241.5050 5.983908 241.5050 5.983908 -0.000000      0.000000 
1 1 1 3  0  34  o 97.05556 7.072829 198.9000       27.75825 198.9000       27.75825 198.9000       27.75825 97.05556 7.072829 97.05556 7.072829 0.000000       0.000000 
1 1 1 3  0  35  o 84.79890 7.541601 153.9000       25.68801 153.9000       25.68801 153.9000       25.68801 84.79890 7.541601 84.79890 7.541601 -0.000000      0.000000 
1 1 1 3  0  36  o 20.24408 12.30955 9.615000       19.07001 9.615000       19.07001 9.615000       19.07001 20.24408 12.30955 20.24408 12.30955 0.000000       0.000000 
1 1 1 3  0  37  o 34.71702 13.36159 35.95000       17.98084 35.95000       17.98084 35.95000       17.98084 34.71702 13.36159 34.71702 13.36159 0.000000       0.000000 
1 1 1 3  0  38  o 24.88308 12.77691 20.89000       16.56081 20.89000       16.56081 20.89000       16.56081 24.88308 12.77691 24.88308 12.77691 0.000000       0.000000 
1 1 1 3  0  39  o 16.22853 10.36250 3.437000       15.32034 3.437000       15.32034 3.437000       15.32034 16.22853 10.36250 16.22853 10.36250 -0.000000      0.000000 
1 1 1 3  0  40  o 15.12619 9.924820 0.4014000      15.40559 0.4014000      15.40559 0.4014000      15.40559 15.12619 9.924820 15.12619 9.924820 0.000000       0.000000 
1 1 1 3  0  41  o 30.90274 13.17281 31.61000       16.95885 31.61000       16.95885 31.61000       16.95885 30.90274 13.17281 30.90274 13.17281 0.000000       0.000000 
1 1 1 3  0  42  o 12.63963 8.800190 -11.51000      16.29695 -11.51000      16.29695 -11.51000      16.29695 12.63963 8.800190 12.63963 8.800190 -0.000000      0.000000 
1 1 1 3  0  43  o 25.17287 13.13572 24.02000       17.69640 24.02000       17.69640 24.02000       17.69640 25.17287 13.13572 25.17287 13.13572 0.000000       0.000000 
1 1 1 3  0  44  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  1  -44 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  1  -43 o 26.37007 11.52414 13.62000       23.57525 13.62000       23.57525 0.000000       0.000000 26.37007 11.52414 ?        ?        ?              ?        
1 1 1 3  1  -42 o 24.80969 8.459745 14.59761       10.30017 0.000000       0.000000 14.59761       10.30017 ?        ?        24.80969 8.459745 ?              ?        
1 1 1 3  1  -41 o 23.95979 9.356548 11.65494       13.27653 13.12000       19.42267 10.37000       18.18961 26.33590 10.94025 25.02344 10.50499 1.312460       15.16720 
1 1 1 3  1  -40 o 39.00761 8.186027 36.47470       12.65759 36.43000       19.05685 36.51000       16.93203 36.55927 11.45144 37.24886 10.59744 -0.6895866     15.60260 
1 1 1 3  1  -39 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  1  -38 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  1  -37 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  1  -36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  1  -35 o 36.86260 11.77180 31.27000       20.05071 0.000000       0.000000 31.27000       20.05071 ?        ?        36.86260 11.77180 ?              ?        
1 1 1 3  1  -34 o 156.4918 2.452280 503.4066       15.71397 512.6767       21.58494 492.9533       22.92102 157.6554 3.343625 154.4933 3.623263 3.162109       4.930301 
1 1 1 3  1  -33 o 37.09300 5.010768 29.03822       7.416170 30.50504       9.404075 26.62549       12.06096 37.72688 6.310207 34.73103 8.541227 2.995846       10.61938 
1 1 1 3  1  -32 o 47.57433 4.388770 47.09732       8.453172 48.29836       11.27488 45.55560       12.77419 47.88422 5.873207 46.22158 6.965548 1.662647       9.111170 
1 1 1 3  1  -31 o 60.72689 4.720757 76.50118       11.64648 75.52000       23.74661 76.81195       13.36417 58.97646 10.20240 60.72321 5.432122 -1.746754      11.55841 
1 1 1 3  1  -30 o 82.52952 3.156366 140.0060       10.64682 154.1109       15.36284 126.9713       14.76849 86.44281 4.354306 78.40350 4.620684 8.039314       6.349071 
1 1 1 3  1  -29 o 51.86028 4.415420 55.67034       9.287215 55.67750       13.11365 55.66313       13.15466 51.56589 6.344222 51.55513 6.366480 0.1075745E-01  8.987837 
1 1 1 3  1  -28 o 154.5065 2.539833 489.2266       16.06854 511.0822       23.48850 470.0006       22.03022 157.8398 3.634248 151.3697 3.554312 6.470047       5.083394 
1 1 1 3  1  -27 o 43.69978 4.573992 39.61957       8.063530 36.75546       11.18807 42.71546       11.63199 41.73195 6.779779 45.11241 6.482970 -3.380463      9.380528 
1 1 1 3  1  -26 o 141.5408 2.428366 410.3979       14.07409 424.6027       20.31610 397.2906       19.51556 143.9279 3.447235 139.2231 3.423303 4.704834       4.858233 
1 1 1 3  1  -25 o 231.0045 2.695965 1093.175       25.50112 1086.711       36.20345 1099.540       35.92620 230.2512 3.839933 231.6100 3.788171 -1.358749      5.394008 
1 1 1 3  1  -24 o 185.2591 3.438392 703.2396       26.08310 0.000000       0.000000 703.2396       26.08310 ?        ?        185.2591 3.438392 ?              ?        
1 1 1 3  1  -23 o 205.8724 3.543707 868.3406       29.87310 0.000000       0.000000 868.3406       29.87310 ?        ?        205.8724 3.543707 ?              ?        
1 1 1 3  1  -22 o 273.5947 4.210599 1533.740       47.17109 1561.000       68.38728 1509.000       65.15037 275.8994 6.053410 271.2786 5.865119 4.620819       8.428724 
1 1 1 3  1  -21 o 282.8362 4.257736 1638.873       49.31034 1668.000       71.18263 1612.000       68.37292 285.2417 6.094480 280.4210 5.954553 4.820709       8.520527 
1 1 1 3  1  -20 o 307.0365 4.459838 1931.257       56.07038 1994.000       81.54865 1875.000       77.21934 311.8839 6.385565 302.4431 6.235308 9.440796       8.924937 
1 1 1 3  1  -19 o 374.4521 5.121658 2872.840       78.52924 2833.000       110.1632 2914.000       111.9731 371.7083 7.237855 376.9835 7.253823 -5.275177      10.24717 
1 1 1 3  1  -18 o 527.0533 6.779909 5695.012       146.3197 5490.000       200.4186 5929.000       214.1143 517.1461 9.464557 537.3844 9.730525 -20.23828      13.57428 
1 1 1 3  1  -17 o 273.2180 5.800564 1530.000       64.89392 0.000000       0.000000 1530.000       64.89392 ?        ?        273.2180 5.800564 ?              ?        
1 1 1 3  1  -16 o 110.0498 3.304800 248.2792       14.87533 220.7000       21.22539 274.9000       20.85334 103.6561 5.015648 115.7496 4.407840 -12.09350      6.677258 
1 1 1 3  1  -15 f 395.8576 5.330485 3211.975       86.40327 3201.000       122.0561 3223.000       122.3297 394.9526 7.547273 396.3086 7.538311 -1.355988      10.66712 
1 1 1 3  1  -14 o 370.2509 5.054018 2809.651       76.62268 2936.000       112.4103 2700.000       104.7196 378.2692 7.257398 362.7704 7.049719 15.49875       10.11773 
1 1 1 3  1  -13 o 151.1865 3.221158 468.1712       19.94111 455.3000       28.27976 480.9000       28.12288 148.9876 4.641210 153.1316 4.489931 -4.144012      6.457577 
1 1 1 3  1  -12 o 513.7798 6.613540 5413.342       139.1347 5281.000       192.5325 5558.000       201.2919 507.0567 9.273063 520.1523 9.450859 -13.09558      13.24041 
1 1 1 3  1  -11 o 89.20788 3.222720 163.1964       11.75265 145.2000       16.48456 181.8000       16.76040 84.04612 4.810086 94.10290 4.361539 -10.05678      6.493069 
1 1 1 3  1  -10 o 340.5002 4.724572 2375.186       65.87252 2397.000       93.84489 2354.000       92.48561 341.9532 6.702232 338.8745 6.665164 3.078705       9.452213 
1 1 1 3  1  -9  o 302.8579 4.336808 1878.766       53.78157 1861.000       75.56916 1897.000       76.55773 301.3534 6.124126 304.2532 6.145107 -2.899841      8.675672 
1 1 1 3  1  -8  o 385.3579 7.329965 3044.000       115.6620 0.000000       0.000000 3044.000       115.6620 ?        ?        385.3579 7.329965 ?              ?        
1 1 1 3  1  -7  o 250.5478 5.412772 1286.000       55.53091 0.000000       0.000000 1286.000       55.53091 ?        ?        250.5478 5.412772 ?              ?        
1 1 1 3  1  -6  o 58.62468 4.713748 70.85000       11.22013 0.000000       0.000000 70.85000       11.22013 ?        ?        58.62468 4.713748 ?              ?        
1 1 1 3  1  -5  o 560.2330 7.115931 6432.126       163.2393 6581.000       235.7478 6295.000       226.2553 566.3928 10.16496 553.9692 9.974445 12.42358       14.24135 
1 1 1 3  1  -4  o 550.3689 7.001242 6207.419       157.7805 6115.000       220.1645 6305.000       226.2298 546.0052 9.847504 554.4103 9.965384 -8.405151      14.01007 
1 1 1 3  1  -3  o 465.8313 8.559153 4449.000       163.2615 4449.000       163.2615 0.000000       0.000000 465.8313 8.559153 ?        ?        ?              ?        
1 1 1 3  1  -2  o 854.1276 14.91561 15000.00       521.6606 15000.00       521.6606 0.000000       0.000000 854.1276 14.91561 ?        ?        ?              ?        
1 1 1 3  1  -1  o 433.4873 8.043545 3852.000       142.7737 3852.000       142.7737 0.000000       0.000000 433.4873 8.043545 ?        ?        ?              ?        
1 1 1 3  1  0   o 165.0274 3.084389 557.6810       20.84249 525.9000       28.68975 593.2000       30.33008 160.1816 4.378218 170.1304 4.357373 -9.948883      6.177013 
1 1 1 3  1  1   o 269.1931 3.962662 1484.066       43.67927 1553.000       63.73058 1423.000       59.98322 275.3311 5.652859 263.5582 5.558132 11.77298       7.927650 
1 1 1 3  1  2   o 687.3317 8.568483 9685.880       241.1542 9562.000       336.9295 9816.000       345.3120 682.4515 12.05710 691.4340 12.19654 -8.982422      17.15019 
1 1 1 3  1  3   o 558.1050 7.078119 6383.282       161.7552 6502.000       232.5463 6272.000       225.1460 562.9920 10.08748 552.9601 9.943653 10.03192       14.16452 
1 1 1 3  1  4   o 322.1966 4.489527 2126.202       59.23058 2057.000       81.66727 2203.000       86.03249 316.8507 6.294612 327.8980 6.407658 -11.04730      8.982217 
1 1 1 3  1  5   o 878.7272 8.823199 15832.60       317.4714 15884.92       390.1092 15730.00       546.2878 879.8452 10.82818 874.5760 15.25455 5.269226       18.70698 
1 1 1 3  1  6   o 216.6417 2.834782 961.0533       25.14700 962.4536       30.88658 958.3000       43.31036 216.7908 3.479401 216.2973 4.890083 0.4934845      6.001595 
1 1 1 3  1  7   o 502.5292 6.441525 5174.789       132.5484 5235.000       189.4063 5117.000       185.5564 505.2216 9.155625 499.5030 9.072218 5.718567       12.88917 
1 1 1 3  1  8   o 460.6808 8.456903 4352.000       159.5276 4352.000       159.5276 0.000000       0.000000 460.6808 8.456903 ?        ?        ?              ?        
1 1 1 3  1  9   o 351.9565 4.791814 2537.564       69.05788 2410.000       93.73492 2689.000       102.1293 342.9050 6.675798 362.1975 6.886217 -19.29251      9.590947 
1 1 1 3  1  10  o 267.0650 3.234776 1460.677       35.37412 1491.000       62.50181 1446.386       42.90757 269.7423 5.658732 265.7366 3.943284 4.005676       6.897154 
1 1 1 3  1  11  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  1  12  o 315.8780 3.132966 2043.592       40.52280 1992.574       56.30484 2098.415       58.36654 311.8535 4.409311 320.0264 4.454035 -8.172913      6.267412 
1 1 1 3  1  13  o 159.9081 3.080603 523.7256       20.17114 523.7256       20.17114 0.000000       0.000000 159.9081 3.080603 ?        ?        ?              ?        
1 1 1 3  1  14  o 89.42978 2.385041 163.8970       8.725986 160.5230       10.62203 170.9000       15.30313 88.48186 2.935827 91.23924 4.106659 -2.757378      5.048141 
1 1 1 3  1  15  f 117.6131 2.383508 283.2733       11.47881 279.9117       13.98963 290.2000       20.08139 116.9064 2.922427 118.9435 4.129410 -2.037109      5.058914 
1 1 1 3  1  16  o 224.3183 2.927947 1030.533       26.89381 1000.330       32.35839 1098.000       48.36248 220.9894 3.575947 231.4697 5.102582 -10.48030      6.230870 
1 1 1 3  1  17  o 445.2428 3.685245 4060.517       67.18737 4010.968       85.81779 4138.984       107.9942 442.4537 4.736800 449.3708 5.869096 -6.917084      7.542120 
1 1 1 3  1  18  o 235.3851 2.614677 1134.594       25.20121 1145.888       35.79678 1123.495       35.48506 236.5298 3.696014 234.2073 3.700162 2.322556       5.229887 
1 1 1 3  1  19  o 243.5012 3.773552 1214.431       37.62495 1214.431       37.62495 0.000000       0.000000 243.5012 3.773552 ?        ?        ?              ?        
1 1 1 3  1  20  o 167.6429 2.688614 575.5209       18.45602 582.9000       33.46732 572.2962       22.12424 168.6022 4.852722 167.1642 3.232218 1.437912       5.830621 
1 1 1 3  1  21  o 291.7742 3.490900 1743.721       41.70697 1724.000       72.47489 1753.486       50.99746 289.9898 6.103521 292.5590 4.257069 -2.569153      7.441479 
1 1 1 3  1  22  o 443.5381 5.856719 4033.835       106.3677 3974.000       149.0107 4096.000       151.8837 439.9032 8.272486 446.5991 8.305560 -6.695892      11.72247 
1 1 1 3  1  23  o 225.3948 3.803060 1040.944       35.09955 1021.000       50.21269 1060.000       49.08310 223.1288 5.495832 227.3654 5.272095 -4.236618      7.615718 
1 1 1 3  1  24  o 93.39450 4.235127 179.1662       16.15402 151.3000       26.13236 196.4000       20.55085 85.47115 7.544168 97.71947 5.154217 -12.24833      9.136763 
1 1 1 3  1  25  o 159.9704 3.721881 524.5153       24.37959 560.7000       37.36848 497.7000       32.16874 165.1930 5.532258 155.6729 5.053269 9.520126       7.492757 
1 1 1 3  1  26  o 127.1436 4.069214 331.8326       21.15776 356.9000       33.50098 315.2000       27.28872 131.6386 6.232828 123.7878 5.396668 7.850784       8.244524 
1 1 1 3  1  27  o 158.6992 4.065735 516.9764       26.39858 536.2000       41.21170 503.6000       34.37727 161.3431 6.249826 156.4792 5.373227 4.863907       8.242081 
1 1 1 3  1  28  o 201.9006 4.167327 836.7672       34.45240 889.4000       53.09924 798.5000       45.27653 207.7229 6.249910 196.9405 5.620281 10.78233       8.405292 
1 1 1 3  1  29  o 88.20375 5.899683 161.0758       21.18536 138.8000       35.87851 173.0000       26.25017 80.64740 11.16380 91.20683 7.084299 -10.55943      13.22186 
1 1 1 3  1  30  o 168.2807 4.222187 582.7824       29.07054 560.8000       43.24888 600.9000       39.26339 164.5140 6.432582 170.5382 5.630376 -6.024216      8.548640 
1 1 1 3  1  31  o 81.71893 8.167402 141.0000       26.96371 0.000000       0.000000 141.0000       26.96371 ?        ?        81.71893 8.167402 ?              ?        
1 1 1 3  1  32  o 25.80456 10.47532 6.766032       17.28663 -5.769000      25.20434 17.90000       23.75404 26.47324 11.72855 33.00254 12.61410 -6.529308      17.22424 
1 1 1 3  1  33  o 108.2846 4.992617 243.7332       22.07746 254.3000       31.39825 233.4000       31.04915 109.8161 7.019315 105.0819 7.260654 4.734215       10.09890 
1 1 1 3  1  34  o 35.11695 11.18901 27.35849       18.12268 33.05000       25.74719 21.77000       25.51309 38.72747 13.36958 34.32115 13.08384 4.406319       18.70648 
1 1 1 3  1  35  o 76.17926 6.134576 123.2721       18.97408 139.2000       27.21159 108.2000       26.47055 79.73020 8.464187 69.59637 9.539395 10.13383       12.75314 
1 1 1 3  1  36  o 72.37913 8.383750 116.1000       24.38815 116.1000       24.38815 0.000000       0.000000 72.37913 8.383750 ?        ?        ?              ?        
1 1 1 3  1  37  o 41.42012 7.736830 38.67663       12.63955 55.45000       19.24788 25.96000       16.75941 48.45708 10.03131 33.18382 10.77757 15.27327       14.72356 
1 1 1 3  1  38  o 36.54508 8.183702 30.97128       11.94106 37.12000       18.09709 26.23000       15.89149 38.61328 10.94607 32.93515 10.47578 5.678131       15.15118 
1 1 1 3  1  39  o 25.19176 8.892627 14.14645       11.42732 17.97000       16.99310 10.99000       15.43970 28.29359 10.70313 24.82352 9.962642 3.470070       14.62228 
1 1 1 3  1  40  o 21.26008 8.615891 7.182519       11.67151 -7.053000      16.95987 19.99000       16.08673 19.46543 9.007959 28.62231 10.49320 -9.156885      13.82934 
1 1 1 3  1  41  o 35.99040 8.565094 31.73102       12.43899 52.05000       18.15957 13.77000       17.07340 45.06169 10.09301 25.95846 10.45613 19.10323       14.53270 
1 1 1 3  1  42  o 64.30528 5.367394 90.89846       14.00423 114.7000       21.12571 72.24000       18.70452 70.13472 7.471073 54.42854 8.684232 15.70618       11.45569 
1 1 1 3  1  43  o 44.93789 7.543414 48.63163       13.38914 54.63000       20.30874 44.02000       17.80713 43.64418 11.28215 39.58087 10.72327 4.063305       15.56520 
1 1 1 3  1  44  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  2  -43 o 36.95864 12.36985 43.46000       22.02009 43.46000       22.02009 0.000000       0.000000 36.95864 12.36985 ?        ?        ?              ?        
1 1 1 3  2  -42 o 18.38479 8.138845 0.2132443      12.11425 15.90000       20.16528 -8.645000      15.15345 26.97410 11.17125 17.75075 8.314211 9.223354       13.92562 
1 1 1 3  2  -41 o 29.95097 8.218433 21.85035       10.38221 39.77000       20.09818 15.32803       12.12531 37.71223 11.75227 25.60274 9.147763 12.10949       14.89287 
1 1 1 3  2  -40 o 26.39896 9.433972 16.46956       12.89652 15.60000       19.01690 17.21000       17.54835 27.16120 11.00130 27.49735 10.75148 -0.3361511     15.38255 
1 1 1 3  2  -39 o 31.68709 7.585453 23.57665       9.711207 39.02000       19.34552 18.37404       11.22845 38.30806 11.45204 27.74461 8.803449 10.56345       14.44472 
1 1 1 3  2  -38 f 26.03091 7.966888 15.49993       9.285460 10.04000       19.01825 17.20881       10.63980 26.14409 10.84012 27.30071 8.557355 -1.156622      13.81074 
1 1 1 3  2  -37 o 78.78402 3.651821 129.5314       11.74868 129.8000       22.39631 129.4295       13.79988 76.81782 7.204232 78.46179 4.311868 -1.643974      8.396021 
1 1 1 3  2  -36 o 29.09097 7.980155 19.14440       9.790515 14.53000       20.57371 20.49529       11.13175 29.11490 11.56164 30.00632 8.610759 -0.8914223     14.41585 
1 1 1 3  2  -35 o 72.89787 3.923843 110.6016       11.66937 104.2000       24.71151 112.4388       13.23840 68.42604 9.040679 73.34007 4.428927 -4.914024      10.06724 
1 1 1 3  2  -34 o 92.14285 3.468556 175.5877       13.06348 203.1000       28.45581 168.2410       14.70458 97.55875 7.173445 90.04313 3.998176 7.515625       8.212413 
1 1 1 3  2  -33 o 73.41349 4.045414 111.7150       12.11382 102.1000       27.19267 114.0956       13.53059 68.05494 10.06100 74.09161 4.480825 -6.036667      11.01370 
1 1 1 3  2  -32 o 124.0288 3.164689 316.5945       16.05917 342.4000       34.15937 309.2727       18.19530 127.9170 6.543385 122.4843 3.631905 5.432770       7.483757 
1 1 1 3  2  -31 o 63.18096 7.490363 84.47000       19.00163 0.000000       0.000000 84.47000       19.00163 ?        ?        63.18096 7.490363 ?              ?        
1 1 1 3  2  -30 o 125.2233 3.087552 321.9054       15.83157 324.5000       20.22488 317.8000       25.44031 125.5608 3.938628 124.0509 5.018750 1.509911       6.379705 
1 1 1 3  2  -29 o 65.25142 2.798741 87.48138       7.460469 90.61845       8.188246 72.15000       18.10167 66.39422 3.019775 58.49070 7.748420 7.903519       8.316072 
1 1 1 3  2  -28 o 236.5131 2.680599 1146.654       25.96041 1161.799       35.69843 1129.655       37.82055 237.9446 3.663944 234.5888 3.937279 3.355850       5.378350 
1 1 1 3  2  -27 o 102.9303 2.133468 217.0402       8.991952 204.4135       10.84486 244.8164       16.08479 99.83984 2.655101 109.1992 3.602189 -9.359306      4.474967 
1 1 1 3  2  -26 o 296.0505 3.656609 1796.954       44.32705 1632.000       75.67172 1883.125       54.69305 281.6964 6.560365 302.9692 4.408687 -21.27283      7.904107 
1 1 1 3  2  -25 o 416.9396 5.579511 3568.867       95.25631 0.000000       0.000000 3568.867       95.25631 ?        ?        416.9396 5.579511 ?              ?        
1 1 1 3  2  -24 f 163.8613 5.060545 551.3000       33.91386 0.000000       0.000000 551.3000       33.91386 ?        ?        163.8613 5.060545 ?              ?        
1 1 1 3  2  -23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  2  -22 o 493.3834 6.451938 4994.208       130.3464 4886.000       181.6750 5109.000       187.1210 487.5082 9.100992 498.4941 9.167231 -10.98596      12.91767 
1 1 1 3  2  -21 o 374.0069 5.169228 2866.943       79.16436 2832.000       111.8648 2902.000       112.0461 371.5170 7.353435 376.0890 7.275814 -4.572021      10.34459 
1 1 1 3  2  -20 o 236.3437 3.913225 1144.210       37.87069 1139.000       54.72002 1149.000       52.46557 235.7384 5.668805 236.7823 5.411289 -1.043930      7.836925 
1 1 1 3  2  -19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  2  -18 o 587.0397 7.461658 7066.776       179.3607 6945.000       249.9724 7196.000       257.5039 581.5065 10.49815 591.8988 10.62458 -10.39227      14.93630 
1 1 1 3  2  -17 o 472.3688 6.172444 4573.549       119.3886 4778.000       175.6529 4398.000       162.7646 482.5154 8.890368 462.9673 8.585890 19.54810       12.35946 
1 1 1 3  2  -16 o 465.7774 6.094414 4447.269       116.2344 4624.000       170.2589 4293.000       159.0714 474.6264 8.760591 457.3587 8.493972 17.26770       12.20227 
1 1 1 3  2  -15 o 80.03859 3.560637 131.4796       11.64027 148.2000       17.84662 119.1000       15.35630 84.88105 5.159131 76.07471 4.956707 8.806343       7.154409 
1 1 1 3  2  -14 o 463.4636 6.062589 4404.359       115.0530 4467.000       164.9427 4345.000       160.5648 466.3848 8.637027 459.9901 8.524666 6.394684       12.13541 
1 1 1 3  2  -13 o 405.5591 5.431111 3371.638       90.19183 3396.000       128.5224 3348.000       126.6003 406.7650 7.716332 403.8881 7.655072 2.876892       10.86931 
1 1 1 3  2  -12 o 261.6435 3.993756 1402.480       42.78741 1404.000       60.91022 1401.000       60.11860 261.6980 5.684148 261.4224 5.616189 0.2756348      7.990690 
1 1 1 3  2  -11 o 198.2081 3.456895 804.7003       28.05640 790.0000       39.47919 819.7000       39.87931 196.2825 4.915914 200.0022 4.869545 -3.719788      6.919442 
1 1 1 3  2  -10 o 52.78867 3.961693 57.40280       8.500922 65.44000       12.49658 50.48000       11.59790 56.24107 5.496499 49.28130 5.862171 6.959770       8.035954 
1 1 1 3  2  -9  o 277.8066 4.110060 1580.847       46.75360 1607.000       66.98312 1556.000       65.28858 280.0260 5.841746 275.5492 5.786470 4.476776       8.222484 
1 1 1 3  2  -8  o 548.7351 7.002918 6172.569       157.3498 6365.000       228.8394 6000.000       216.7083 556.8542 10.03610 540.6862 9.788268 16.16809       14.01904 
1 1 1 3  2  -7  o 730.7485 9.096372 10954.00       272.1827 11030.00       387.5127 10880.00       382.3875 732.5574 12.91873 727.5776 12.83512 4.979858       18.21082 
1 1 1 3  2  -6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  2  -5  o 241.6951 3.055501 1196.229       30.23950 1245.500       37.90668 1110.000       50.14775 246.6101 3.753882 232.7764 5.261241 13.83369       6.463148 
1 1 1 3  2  -4  o 484.2287 5.112634 4803.118       101.3724 4800.187       124.0790 4809.000       175.7985 484.0176 6.260553 484.2704 8.865492 -0.2528381     10.85318 
1 1 1 3  2  -3  o 569.6295 5.894402 6647.728       137.4854 6611.272       167.5014 6723.000       240.6903 567.9708 7.202246 572.4515 10.26822 -4.480774      12.54228 
1 1 1 3  2  -2  o 1133.974 13.85823 26424.22       643.4803 26530.00       913.4280 26320.00       906.6470 1134.125 19.66930 1129.657 19.60051 4.468384       27.76799 
1 1 1 3  2  -1  o 401.6197 7.570895 3306.000       124.5049 0.000000       0.000000 3306.000       124.5049 ?        ?        401.6197 7.570895 ?              ?        
1 1 1 3  2  0   o 1392.216 16.97647 39903.18       967.7839 0.000000       0.000000 39903.18       967.7839 ?        ?        1392.216 16.97647 ?              ?        
1 1 1 3  2  1   o 136.0509 2.936149 379.0260       16.35701 0.000000       0.000000 379.0260       16.35701 ?        ?        136.0509 2.936149 ?              ?        
1 1 1 3  2  2   o 97.52248 2.321692 194.7372       9.271152 199.1000       16.43013 192.6991       11.22979 98.51373 4.081894 96.96706 2.831317 1.546677       4.967717 
1 1 1 3  2  3   o 553.4497 4.974123 6274.224       112.7247 6313.855       160.2662 6235.421       158.5808 555.0599 7.051436 551.6038 7.021000 3.456055       9.950738 
1 1 1 3  2  4   o 202.9052 2.771388 843.0388       23.02581 846.0863       28.24446 837.0000       39.75907 203.2637 3.393508 202.1459 4.803378 1.117813       5.881186 
1 1 1 3  2  5   o 794.9918 8.026112 12956.96       261.2716 13138.84       324.2026 12620.00       441.2885 800.2729 9.893591 783.5684 13.75375 16.70453       16.94252 
1 1 1 3  2  6   o 363.8174 4.038395 2710.920       60.16122 2795.740       75.46375 2563.000       99.65601 369.4304 4.988631 353.6319 6.882206 15.79849       8.500071 
1 1 1 3  2  7   o 341.6106 3.328224 2389.847       46.55522 2418.287       66.50034 2362.511       65.19706 343.5918 4.726685 339.6078 4.688413 3.983978       6.657535 
1 1 1 3  2  8   o 607.2863 5.408401 7556.266       134.4890 7675.382       193.0024 7443.833       187.5090 611.8182 7.703993 602.5312 7.600079 9.286987       10.82186 
1 1 1 3  2  9   o 520.8563 4.713714 5557.852       100.5323 5513.574       141.1929 5603.382       143.1761 518.6140 6.648817 522.8168 6.688004 -4.202759      9.430597 
1 1 1 3  2  10  o 226.7960 2.951906 1053.389       27.41336 1048.244       33.40387 1064.000       47.97489 226.2257 3.606040 227.8695 5.141659 -1.643860      6.280142 
1 1 1 3  2  11  o 260.2332 3.202587 1387.040       34.12622 1376.513       41.50791 1409.000       59.94904 259.2191 3.910565 262.1811 5.584142 -2.962036      6.817270 
1 1 1 3  2  12  o 226.8017 2.960115 1053.519       27.49029 1062.957       33.77683 1035.000       47.31279 227.7952 3.621179 224.7186 5.141799 3.076599       6.288961 
1 1 1 3  2  13  o 217.7595 2.901562 971.1860       25.87220 967.6558       31.57423 978.4000       45.13566 217.3443 3.547808 218.4886 5.045064 -1.144226      6.167626 
1 1 1 3  2  14  o 367.5313 4.080936 2767.458       61.41559 2781.993       75.48693 2739.000       105.6275 368.4316 5.003690 365.3872 7.059911 3.044464       8.653280 
1 1 1 3  2  15  o 214.4176 2.886414 941.5690       25.34216 922.6427       30.61088 982.8000       45.18091 212.2354 3.522359 218.9915 5.038525 -6.756073      6.147662 
1 1 1 3  2  16  o 449.6425 4.804955 4142.536       88.46698 4119.078       107.7714 4191.000       154.9046 448.2819 5.871215 451.9084 8.371232 -3.626526      10.22491 
1 1 1 3  2  17  o 200.5929 2.813438 824.0030       23.10880 830.3466       28.37181 811.5000       39.83140 201.3517 3.441179 199.0175 4.887759 2.334167       5.977617 
1 1 1 3  2  18  o 207.8164 2.872499 884.4164       24.44354 889.6879       29.99775 874.0000       42.16747 208.4226 3.514952 206.5399 4.985964 1.882706       6.100388 
1 1 1 3  2  19  f 162.6158 2.651299 541.5139       17.65410 564.5837       21.96357 499.4000       29.67511 166.0352 3.230563 156.0618 4.648959 9.973389       5.661216 
1 1 1 3  2  20  o 219.5367 2.967805 987.0458       26.67884 965.8251       32.25578 1033.000       47.46695 217.1481 3.627664 224.5218 5.163074 -7.373718      6.310093 
1 1 1 3  2  21  o 502.0786 4.589811 5165.411       94.36066 5035.237       130.4795 5308.134       136.6248 495.5103 6.430802 508.7439 6.558521 -13.23367      9.185283 
1 1 1 3  2  22  o 312.2179 4.502956 1997.792       57.56785 1997.792       57.56785 0.000000       0.000000 312.2179 4.502956 ?        ?        ?              ?        
1 1 1 3  2  23  o 115.4738 2.732203 273.1256       12.91876 256.9521       15.90372 304.5000       22.15056 111.9329 3.474103 121.7984 4.448864 -9.865494      5.644624 
1 1 1 3  2  24  f 320.7534 3.256511 2108.049       42.77089 1998.869       58.60197 2232.502       62.56685 312.2155 4.583880 329.9524 4.630935 -17.73682      6.515943 
1 1 1 3  2  25  o 54.58338 3.418552 61.29940       7.602229 48.53925       10.32556 76.40403       11.23416 48.34354 5.303107 60.86529 4.540323 -12.52175      6.981223 
1 1 1 3  2  26  o 124.6313 3.469131 318.6642       17.68681 0.000000       0.000000 318.6642       17.68681 ?        ?        124.6313 3.469131 ?              ?        
1 1 1 3  2  27  o 94.77755 3.636611 184.4984       14.08706 137.7000       37.01505 192.4247       15.23338 80.53556 11.55502 96.77649 3.851858 -16.24093      12.18012 
1 1 1 3  2  28  o 108.7997 3.472441 243.0936       15.45007 288.9000       38.60595 234.3582       16.85901 117.8804 8.046365 106.7861 3.861970 11.09437       8.925178 
1 1 1 3  2  29  o 80.57277 4.082497 133.7396       13.42521 179.6000       36.32298 126.4834       14.44831 92.21562 9.767838 78.29427 4.526034 13.92135       10.76548 
1 1 1 3  2  30  o 78.41451 4.493843 127.0116       14.36866 0.000000       0.000000 127.0116       14.36866 ?        ?        78.41451 4.493843 ?              ?        
1 1 1 3  2  31  o 170.9476 5.283616 604.9000       36.94000 0.000000       0.000000 604.9000       36.94000 ?        ?        170.9476 5.283616 ?              ?        
1 1 1 3  2  32  o 80.80946 7.145102 137.8000       23.39924 0.000000       0.000000 137.8000       23.39924 ?        ?        80.80946 7.145102 ?              ?        
1 1 1 3  2  33  o 91.85094 6.590740 177.9000       24.62327 0.000000       0.000000 177.9000       24.62327 ?        ?        91.85094 6.590740 ?              ?        
1 1 1 3  2  34  o 57.44138 7.355824 71.19455       16.90483 91.87000       28.48204 59.95000       21.00461 63.34355 11.40022 51.39812 10.33887 11.94543       15.39017 
1 1 1 3  2  35  o 65.13864 6.570290 91.01807       17.28534 99.67000       26.58278 84.68000       22.75214 66.25790 10.11836 61.43050 9.338794 4.827400       13.76933 
1 1 1 3  2  36  o 24.34156 9.826486 8.138944       15.11558 33.32000       22.79927 -11.61000      20.19091 37.27871 12.58760 21.28384 9.842134 15.99487       15.97859 
1 1 1 3  2  37  o 109.2017 4.099554 249.7813       18.29864 274.4000       27.04647 229.0000       24.84928 113.1545 5.857268 103.3147 5.898417 9.839737       8.312575 
1 1 1 3  2  38  f 23.62897 8.973816 10.65458       11.97362 5.210000       18.40476 14.65000       15.76628 24.26054 10.39022 26.87955 10.27596 -2.619013      14.61342 
1 1 1 3  2  39  o 17.05342 7.769190 -4.514547      11.95682 -1.166000      18.02856 -7.144000      15.97591 21.75473 9.759481 19.03741 8.786077 2.717314       13.13174 
1 1 1 3  2  40  o 33.29784 11.51012 30.04000       19.08572 30.04000       19.08572 0.000000       0.000000 33.29784 11.51012 ?        ?        ?              ?        
1 1 1 3  2  41  o 23.46181 9.124250 11.13197       12.58386 22.37000       19.19656 2.664000       16.66356 29.78024 11.35006 21.86453 9.617864 7.915712       14.87707 
1 1 1 3  2  42  o 29.81217 9.553480 23.00315       13.19719 13.22000       20.23888 30.24000       17.40692 26.10077 11.02597 33.03088 10.99686 -6.930111      15.57250 
1 1 1 3  2  43  o 21.49219 9.010172 7.593181       13.35300 24.92000       20.53521 -5.100000      17.57620 29.48003 11.59948 19.56604 9.094305 9.913990       14.73955 
1 1 1 3  3  0   o 505.1706 6.496758 5227.188       134.3876 5196.000       189.1198 5259.000       190.9996 503.5475 9.172170 506.5893 9.207722 -3.041718      12.99657 
1 1 1 3  3  1   o 777.6441 6.809250 12393.45       216.8226 12458.11       308.1019 12330.00       305.1859 779.2751 9.655597 775.2647 9.613688 4.010437       13.62547 
1 1 1 3  3  2   o 374.2091 3.581575 2867.777       54.87984 2973.073       79.92773 2773.859       75.48620 380.9609 5.123806 367.9809 5.009772 12.98001       7.165976 
1 1 1 3  3  3   o 313.7411 3.137948 2015.736       40.31268 2028.003       57.30282 2003.716       56.72307 314.6591 4.447452 312.7699 4.429047 1.889191       6.276646 
1 1 1 3  3  4   o 744.8979 6.538729 11371.60       199.4410 11349.78       281.5674 11393.57       282.5396 743.8121 9.244739 745.2437 9.258840 -1.431519      13.08401 
1 1 1 3  3  5   o 770.8086 6.753264 12177.97       213.1497 12389.92       306.4301 11979.29       296.6845 777.0371 9.630862 764.0788 9.482707 12.95831       13.51574 
1 1 1 3  3  6   o 394.8214 5.301824 3193.869       85.71374 3158.000       120.1832 3231.000       122.2791 392.4546 7.478764 396.9612 7.522803 -4.506622      10.60775 
1 1 1 3  3  7   o 61.64698 3.577094 78.09722       8.990776 89.20000       13.06511 68.11000       12.39138 65.80314 4.883701 57.40782 5.332334 8.395321       7.230790 
1 1 1 3  3  8   o 675.2989 8.461239 9357.769       233.9669 9498.000       335.4964 9225.000       326.4474 679.5464 12.05714 669.7481 11.90357 9.798279       16.94313 
1 1 1 3  3  9   o 263.7356 3.993121 1424.891       43.12267 1412.000       60.72943 1438.000       61.24314 262.4643 5.650729 264.8700 5.646772 -2.405670      7.988541 
1 1 1 3  3  10  o 213.6846 2.896671 935.1566       25.34527 939.3340       31.04050 926.8000       43.90208 214.1440 3.539961 212.6566 5.041757 1.487381       6.160408 
1 1 1 3  3  11  o 49.65387 3.283532 50.72123       6.638559 50.03763       7.946869 52.30000       12.07689 49.26085 3.973449 50.14838 6.000262 -0.8875313     7.196627 
1 1 1 3  3  12  o 107.9297 3.016495 238.7704       13.31809 240.9000       18.00904 236.2000       19.78526 108.3593 4.066032 107.2691 4.514553 1.090233       6.075673 
1 1 1 3  3  13  o 236.6092 3.062704 1146.627       29.67297 1145.465       36.22142 1149.000       51.74077 236.4671 3.740850 236.7624 5.336983 -0.2952881     6.517465 
1 1 1 3  3  14  o 372.6498 4.141672 2844.954       63.19766 2879.641       78.06687 2779.000       107.6483 374.8535 5.086052 368.0717 7.142501 6.781830       8.768310 
1 1 1 3  3  15  o 320.9960 3.717559 2110.544       48.86320 2089.394       59.35914 2155.000       86.05983 319.3474 4.539414 324.2062 6.482682 -4.858887      7.914003 
1 1 1 3  3  16  o 356.2822 4.008860 2600.115       58.48431 2592.811       71.40559 2615.000       101.9368 355.7388 4.902037 357.1260 6.970843 -1.387146      8.521891 
1 1 1 3  3  17  o 160.6194 2.685404 528.2988       17.66168 523.0055       21.46331 539.4000       31.08255 159.8046 3.280070 162.1964 4.684963 -2.391891      5.719068 
1 1 1 3  3  18  o 583.0015 6.046610 6966.238       144.3465 6981.022       177.1187 6937.000       249.0866 583.4630 7.413560 581.1569 10.46725 2.306030       12.82670 
1 1 1 3  3  19  o 337.8998 3.872386 2338.742       53.57856 2338.117       65.56020 2340.000       92.97082 337.8136 4.739568 337.8248 6.720950 -0.1123047E-01 8.224030 
1 1 1 3  3  20  o 262.4491 3.975908 1411.066       42.72733 1413.000       59.45788 1409.000       61.44210 262.5547 5.530511 262.1719 5.723419 0.3827515      7.958899 
1 1 1 3  3  21  o 637.4769 6.566066 8336.979       171.3934 8422.034       211.8877 8176.000       291.5039 640.3850 8.080535 630.0352 11.29939 10.34985       13.89141 
1 1 1 3  3  22  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3  3  23  o 36.06229 6.836414 27.59363       9.725648 27.59363       9.725648 0.000000       0.000000 36.06229 6.836414 ?        ?        ?              ?        
1 1 1 3  3  24  o 184.8634 3.699276 700.4714       28.00220 700.4714       28.00220 0.000000       0.000000 184.8634 3.699276 ?        ?        ?              ?        
1 1 1 3  3  25  o 378.8270 4.287426 2943.497       66.50617 2986.789       82.65455 2864.000       112.0049 381.4218 5.292207 373.0265 7.332851 8.395294       9.043128 
1 1 1 3  3  26  o 268.5357 2.983334 1477.944       32.80412 1481.396       47.49216 1474.795       45.36497 268.6938 4.316581 268.1193 4.132074 0.5744629      5.975526 
1 1 1 3  3  27  o 86.28543 3.071854 152.8405       10.83600 149.5000       16.62229 155.3092       14.28969 85.17139 4.785452 86.89718 4.026942 -1.725784      6.254344 
1 1 1 3  3  28  o 141.5117 3.310033 410.8794       19.18003 391.0000       24.86251 440.1000       30.14316 137.8614 4.409982 146.1640 5.044003 -8.302551      6.699994 
1 1 1 3  3  29  f 164.3327 2.765252 553.9654       18.60729 547.3000       29.84102 558.2056       23.80102 163.0259 4.474490 164.8608 3.525768 -1.834885      5.696675 
1 1 1 3  3  30  f 53.64389 5.473372 60.08502       11.85436 0.000000       0.000000 60.08502       11.85436 ?        ?        53.64389 5.473372 ?              ?        
1 1 1 3  3  31  o 71.46355 4.097064 105.6146       11.93872 129.3000       31.47941 101.6355       12.90265 77.26641 10.19852 70.02260 4.524254 7.243813       11.15700 
1 1 1 3  3  32  o 88.99668 3.542985 163.4582       12.88542 189.6000       32.84284 158.7021       14.00861 94.10551 8.618778 87.61324 3.914704 6.492271       9.466164 
1 1 1 3  3  33  o 31.56689 7.829149 22.00855       10.07017 -15.03000      28.92655 27.11644       10.74213 26.00479 11.93627 35.09696 7.687920 -9.092171      14.19784 
1 1 1 3  3  34  o 45.58408 5.803093 44.33164       10.58650 69.53000       28.68924 40.35965       11.39035 53.71756 13.15068 43.19021 6.653981 10.52735       14.73825 
1 1 1 3  3  35  o 37.30875 6.989180 30.69803       10.28504 29.98000       25.55971 30.83676       11.23475 36.47255 13.24893 37.16453 7.638113 -0.6919823     15.29297 
1 1 1 3  3  36  o 105.2938 3.310812 230.1470       14.25678 203.2000       27.54278 240.0095       16.66273 96.64672 7.007387 107.2965 3.798587 -10.64976      7.970743 
1 1 1 3  3  37  o 15.05646 6.907895 -5.577509      9.673769 -8.909000      20.34736 -4.604555      10.99601 21.63700 9.960478 16.53041 7.499335 5.106596       12.46801 
1 1 1 3  3  38  o 41.42150 8.328091 40.28130       13.63500 29.69000       19.98768 49.50000       18.64759 34.06371 11.77876 44.52319 10.41492 -10.45948      15.72290 
1 1 1 3  3  39  o 56.73886 6.160566 71.66435       14.08338 94.23000       21.42302 54.49000       18.68947 62.98901 8.524596 46.35925 10.12929 16.62976       13.23901 
1 1 1 3  3  40  o 34.33094 9.359275 29.78253       13.51526 30.51000       20.46666 29.22000       17.99747 33.33256 11.88755 32.99232 11.18354 0.3402443      16.32132 
1 1 1 3  3  41  o 21.01384 8.927902 4.938426       13.39691 4.064000       20.19228 5.626000       17.90538 23.68469 10.49524 23.25163 10.10391 0.4330578      14.56843 
1 1 1 3  3  42  o 28.51607 9.826532 21.28343       13.90669 25.95000       21.32440 17.83000       18.34436 30.40112 11.86203 27.11072 10.86667 3.290398       16.08702 
1 1 1 3  3  43  o 31.47706 9.913095 27.47048       14.26169 37.34000       21.83731 20.13000       18.83273 34.07099 12.26392 27.44395 11.00690 6.627039       16.47895 
1 1 1 4  0  -43 o 17.11009 11.26225 3.044000       20.07864 3.044000       20.07864 3.044000       20.07864 17.11009 11.26225 17.11009 11.26225 -0.000000      0.000000 
1 1 1 4  0  -42 o 15.58503 8.393871 7.868760       7.417799 7.868760       7.417799 7.868760       7.417799 15.58503 8.393871 15.58503 8.393871 -0.000000      0.000000 
1 1 1 4  0  -41 o 25.53446 8.831076 18.32462       8.321999 18.32462       8.321999 18.32462       8.321999 25.53446 8.831076 25.53446 8.831076 -0.000000      0.000000 
1 1 1 4  0  -40 o 32.15916 7.824738 25.62101       8.927545 25.62101       8.927545 25.62101       8.927545 32.15916 7.824738 32.15916 7.824738 0.000000       0.000000 
1 1 1 4  0  -39 o 16.27719 8.937270 8.353699       8.573749 8.353699       8.573749 8.353699       8.573749 16.27719 8.937270 16.27719 8.937270 -0.000000      0.000000 
1 1 1 4  0  -38 f 38.81729 6.666758 34.30520       9.659432 34.30520       9.659432 34.30520       9.659432 38.81729 6.666758 38.81729 6.666758 0.000000       0.000000 
1 1 1 4  0  -37 o 36.49351 7.262895 31.00650       9.637960 31.00650       9.637960 31.00650       9.637960 36.49351 7.262895 36.49351 7.262895 0.000000       0.000000 
1 1 1 4  0  -36 o 11.69741 8.238138 -16.52000      15.52386 -16.52000      15.52386 -16.52000      15.52386 11.69741 8.238138 11.69741 8.238138 -0.000000      0.000000 
1 1 1 4  0  -35 o 36.40317 9.201636 32.55475       11.86023 32.55475       11.86023 32.55475       11.86023 36.40317 9.201636 36.40317 9.201636 -0.000000      0.000000 
1 1 1 4  0  -34 o 144.1716 3.607695 428.2814       21.26764 428.2814       21.26764 428.2814       21.26764 144.1716 3.607695 144.1716 3.607695 0.000000       0.000000 
1 1 1 4  0  -33 o 116.5407 5.072108 281.6000       24.09962 281.6000       24.09962 281.6000       24.09962 116.5407 5.072108 116.5407 5.072108 0.000000       0.000000 
1 1 1 4  0  -32 o 128.0784 4.850777 339.0000       25.35670 339.0000       25.35670 339.0000       25.35670 128.0784 4.850777 128.0784 4.850777 -0.000000      0.000000 
1 1 1 4  0  -31 o 56.10850 7.245484 68.14000       15.88365 68.14000       15.88365 68.14000       15.88365 56.10850 7.245484 56.10850 7.245484 0.000000       0.000000 
1 1 1 4  0  -30 o 108.4100 4.829266 242.8000       21.34044 242.8000       21.34044 242.8000       21.34044 108.4100 4.829266 108.4100 4.829266 0.000000       0.000000 
1 1 1 4  0  -29 o 126.2551 3.675735 327.6450       18.96633 327.6450       18.96633 327.6450       18.96633 126.2551 3.675735 126.2551 3.675735 0.000000       0.000000 
1 1 1 4  0  -28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  0  -27 o 45.85371 14.86052 55.15000       24.66457 55.15000       24.66457 55.15000       24.66457 45.85371 14.86052 45.85371 14.86052 -0.000000      0.000000 
1 1 1 4  0  -26 o 269.9878 4.168478 1494.773       46.05881 1494.773       46.05881 1494.773       46.05881 269.9878 4.168478 269.9878 4.168478 -0.000000      0.000000 
1 1 1 4  0  -25 o 404.1231 7.815230 3356.000       129.2151 3356.000       129.2151 3356.000       129.2151 404.1231 7.815230 404.1231 7.815230 0.000000       0.000000 
1 1 1 4  0  -24 o 149.2645 5.381578 458.4000       32.79491 458.4000       32.79491 458.4000       32.79491 149.2645 5.381578 149.2645 5.381578 0.000000       0.000000 
1 1 1 4  0  -23 o 344.4178 6.922877 2435.000       97.54398 2435.000       97.54398 2435.000       97.54398 344.4178 6.922877 344.4178 6.922877 0.000000       0.000000 
1 1 1 4  0  -22 o 28.05626 13.48954 23.77000       17.91268 23.77000       17.91268 23.77000       17.91268 28.05626 13.48954 28.05626 13.48954 -0.000000      0.000000 
1 1 1 4  0  -21 o 120.3793 5.207434 298.5000       25.55891 298.5000       25.55891 298.5000       25.55891 120.3793 5.207434 120.3793 5.207434 -0.000000      0.000000 
1 1 1 4  0  -20 o 108.4602 5.194514 242.6000       22.94847 242.6000       22.94847 242.6000       22.94847 108.4602 5.194514 108.4602 5.194514 0.000000       0.000000 
1 1 1 4  0  -19 o 176.8385 4.981737 642.0000       36.00823 642.0000       36.00823 642.0000       36.00823 176.8385 4.981737 176.8385 4.981737 0.000000       0.000000 
1 1 1 4  0  -18 o 393.4208 7.548209 3175.000       121.4968 3175.000       121.4968 3175.000       121.4968 393.4208 7.548209 393.4208 7.548209 0.000000       0.000000 
1 1 1 4  0  -17 o 91.11674 5.194868 171.7000       19.23665 171.7000       19.23665 171.7000       19.23665 91.11674 5.194868 91.11674 5.194868 0.000000       0.000000 
1 1 1 4  0  -16 o 389.5917 7.474356 3114.000       119.1371 3114.000       119.1371 3114.000       119.1371 389.5917 7.474356 389.5917 7.474356 0.000000       0.000000 
1 1 1 4  0  -15 o 187.7347 4.914835 723.4000       37.72287 723.4000       37.72287 723.4000       37.72287 187.7347 4.914835 187.7347 4.914835 -0.000000      0.000000 
1 1 1 4  0  -14 o 237.5705 5.382035 1158.000       52.29497 1158.000       52.29497 1158.000       52.29497 237.5705 5.382035 237.5705 5.382035 0.000000       0.000000 
1 1 1 4  0  -13 o 93.30080 4.925150 179.8000       18.69562 179.8000       18.69562 179.8000       18.69562 93.30080 4.925150 93.30080 4.925150 0.000000       0.000000 
1 1 1 4  0  -12 o 50.55025 6.850595 55.17000       13.44590 55.17000       13.44590 55.17000       13.44590 50.55025 6.850595 50.55025 6.850595 0.000000       0.000000 
1 1 1 4  0  -11 o 280.8497 5.896662 1618.000       67.74423 1618.000       67.74423 1618.000       67.74423 280.8497 5.896662 280.8497 5.896662 -0.000000      0.000000 
1 1 1 4  0  -10 o 56.03198 5.870261 66.40000       13.09860 66.40000       13.09860 66.40000       13.09860 56.03198 5.870261 56.03198 5.870261 0.000000       0.000000 
1 1 1 4  0  -9  o 259.9516 5.602042 1386.000       59.56728 1386.000       59.56728 1386.000       59.56728 259.9516 5.602042 259.9516 5.602042 0.000000       0.000000 
1 1 1 4  0  -8  o 440.9407 8.212772 3988.000       148.1680 3988.000       148.1680 3988.000       148.1680 440.9407 8.212772 440.9407 8.212772 0.000000       0.000000 
1 1 1 4  0  -7  o 113.3884 4.272710 264.4000       19.77389 264.4000       19.77389 264.4000       19.77389 113.3884 4.272710 113.3884 4.272710 -0.000000      0.000000 
1 1 1 4  0  -6  o 511.0865 9.296910 5358.000       194.4166 5358.000       194.4166 5358.000       194.4166 511.0865 9.296910 511.0865 9.296910 0.000000       0.000000 
1 1 1 4  0  -5  o 803.0135 14.06707 13240.00       462.2216 13240.00       462.2216 13240.00       462.2216 803.0135 14.06707 803.0135 14.06707 0.000000       0.000000 
1 1 1 4  0  -4  o 458.4283 8.450766 4310.000       158.5108 4310.000       158.5108 4310.000       158.5108 458.4283 8.450766 458.4283 8.450766 -0.000000      0.000000 
1 1 1 4  0  -3  o 1095.990 18.98563 24700.00       851.4559 24700.00       851.4559 24700.00       851.4559 1095.990 18.98563 1095.990 18.98563 -0.000000      0.000000 
1 1 1 4  0  -2  o 669.5773 11.85028 9200.000       324.6736 9200.000       324.6736 9200.000       324.6736 669.5773 11.85028 669.5773 11.85028 0.000000       0.000000 
1 1 1 4  0  -1  o 43.72199 5.120028 40.73000       8.837778 40.73000       8.837778 40.73000       8.837778 43.72199 5.120028 43.72199 5.120028 -0.000000      0.000000 
1 1 1 4  0  0   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  0  1   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  0  2   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  0  3   o 388.7478 7.356233 3099.000       117.0030 3099.000       117.0030 3099.000       117.0030 388.7478 7.356233 388.7478 7.356233 0.000000       0.000000 
1 1 1 4  0  4   o 432.8918 8.033637 3843.000       142.2914 3843.000       142.2914 3843.000       142.2914 432.8918 8.033637 432.8918 8.033637 -0.000000      0.000000 
1 1 1 4  0  5   o 681.3452 12.03548 9527.000       335.5439 9527.000       335.5439 9527.000       335.5439 681.3452 12.03548 681.3452 12.03548 -0.000000      0.000000 
1 1 1 4  0  6   o 448.0955 8.268971 4118.000       151.6048 4118.000       151.6048 4118.000       151.6048 448.0955 8.268971 448.0955 8.268971 0.000000       0.000000 
1 1 1 4  0  7   o 387.3512 7.332895 3077.000       116.2127 3077.000       116.2127 3077.000       116.2127 387.3512 7.332895 387.3512 7.332895 -0.000000      0.000000 
1 1 1 4  0  8   o 67.96525 4.365809 95.76000       12.03353 95.76000       12.03353 95.76000       12.03353 67.96525 4.365809 67.96525 4.365809 -0.000000      0.000000 
1 1 1 4  0  9   o 535.8188 9.667298 5891.000       211.9476 5891.000       211.9476 5891.000       211.9476 535.8188 9.667298 535.8188 9.667298 -0.000000      0.000000 
1 1 1 4  0  10  o 28.94017 8.035290 20.67000       8.236190 20.67000       8.236190 20.67000       8.236190 28.94017 8.035290 28.94017 8.035290 0.000000       0.000000 
1 1 1 4  0  11  o 178.9909 4.496130 657.4000       32.90597 657.4000       32.90597 657.4000       32.90597 178.9909 4.496130 178.9909 4.496130 -0.000000      0.000000 
1 1 1 4  0  12  o 620.8977 7.821473 7906.098       198.7823 7906.098       198.7823 7906.098       198.7823 620.8977 7.821473 620.8977 7.821473 0.000000       0.000000 
1 1 1 4  0  13  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  0  14  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  0  15  o 446.1610 5.834102 4080.261       106.5424 4080.261       106.5424 4080.261       106.5424 446.1610 5.834102 446.1610 5.834102 0.000000       0.000000 
1 1 1 4  0  16  o 374.6875 5.056051 2877.167       77.54018 2877.167       77.54018 2877.167       77.54018 374.6875 5.056051 374.6875 5.056051 -0.000000      0.000000 
1 1 1 4  0  17  o 23.44837 6.470295 13.54098       5.372042 13.54098       5.372042 13.54098       5.372042 23.44837 6.470295 23.44837 6.470295 -0.000000      0.000000 
1 1 1 4  0  18  o 156.8258 3.052662 504.1745       19.58616 504.1745       19.58616 504.1745       19.58616 156.8258 3.052662 156.8258 3.052662 0.000000       0.000000 
1 1 1 4  0  19  o 386.8037 7.405042 3069.000       117.1881 3069.000       117.1881 3069.000       117.1881 386.8037 7.405042 386.8037 7.405042 -0.000000      0.000000 
1 1 1 4  0  20  o 441.9818 8.247120 4008.000       149.1386 4008.000       149.1386 4008.000       149.1386 441.9818 8.247120 441.9818 8.247120 0.000000       0.000000 
1 1 1 4  0  21  o 367.0429 7.138309 2764.000       107.1929 2764.000       107.1929 2764.000       107.1929 367.0429 7.138309 367.0429 7.138309 -0.000000      0.000000 
1 1 1 4  0  22  o 310.0898 6.355904 1973.000       80.62639 1973.000       80.62639 1973.000       80.62639 310.0898 6.355904 310.0898 6.355904 -0.000000      0.000000 
1 1 1 4  0  23  o 644.7432 11.52657 8552.000       304.0873 8552.000       304.0873 8552.000       304.0873 644.7432 11.52657 644.7432 11.52657 -0.000000      0.000000 
1 1 1 4  0  24  o 68.96247 7.105012 100.6000       19.53321 100.6000       19.53321 100.6000       19.53321 68.96247 7.105012 68.96247 7.105012 0.000000       0.000000 
1 1 1 4  0  25  o 349.0843 6.973135 2503.000       99.58447 2503.000       99.58447 2503.000       99.58447 349.0843 6.973135 349.0843 6.973135 -0.000000      0.000000 
1 1 1 4  0  26  o 388.4568 7.591793 3102.000       120.6527 3102.000       120.6527 3102.000       120.6527 388.4568 7.591793 388.4568 7.591793 -0.000000      0.000000 
1 1 1 4  0  27  o 214.9247 5.684533 949.6000       49.94803 949.6000       49.94803 949.6000       49.94803 214.9247 5.684533 214.9247 5.684533 0.000000       0.000000 
1 1 1 4  0  28  o 115.4610 6.660832 276.6000       31.24932 276.6000       31.24932 276.6000       31.24932 115.4610 6.660832 115.4610 6.660832 -0.000000      0.000000 
1 1 1 4  0  29  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  0  30  o 115.1151 6.951832 276.0000       32.49199 276.0000       32.49199 276.0000       32.49199 115.1151 6.951832 115.1151 6.951832 -0.000000      0.000000 
1 1 1 4  0  31  o 182.8626 5.879227 690.8000       43.91882 690.8000       43.91882 690.8000       43.91882 182.8626 5.879227 182.8626 5.879227 -0.000000      0.000000 
1 1 1 4  0  32  o 104.2713 7.505363 228.7000       31.65592 228.7000       31.65592 228.7000       31.65592 104.2713 7.505363 104.2713 7.505363 0.000000       0.000000 
1 1 1 4  0  33  o 101.0730 7.756690 216.2000       31.65623 216.2000       31.65623 216.2000       31.65623 101.0730 7.756690 101.0730 7.756690 0.000000       0.000000 
1 1 1 4  0  34  o 39.55953 16.88506 48.84000       27.85868 48.84000       27.85868 48.84000       27.85868 39.55953 16.88506 39.55953 16.88506 -0.000000      0.000000 
1 1 1 4  0  35  o 100.5494 7.429550 215.2000       30.19661 215.2000       30.19661 215.2000       30.19661 100.5494 7.429550 100.5494 7.429550 -0.000000      0.000000 
1 1 1 4  0  36  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  0  37  o 16.60192 10.74411 1.492000       17.19149 1.492000       17.19149 1.492000       17.19149 16.60192 10.74411 16.60192 10.74411 -0.000000      0.000000 
1 1 1 4  0  38  f 33.89029 13.03203 34.71000       17.11117 34.71000       17.11117 34.71000       17.11117 33.89029 13.03203 33.89029 13.03203 0.000000       0.000000 
1 1 1 4  0  39  o 14.62950 9.813867 -3.515000      16.50659 -3.515000      16.50659 -3.515000      16.50659 14.62950 9.813867 14.62950 9.813867 -0.000000      0.000000 
1 1 1 4  0  40  o 80.56828 6.728357 141.9000       21.82810 141.9000       21.82810 141.9000       21.82810 80.56828 6.728357 80.56828 6.728357 0.000000       0.000000 
1 1 1 4  0  41  o 58.26136 8.943188 79.52000       19.84306 79.52000       19.84306 79.52000       19.84306 58.26136 8.943188 58.26136 8.943188 0.000000       0.000000 
1 1 1 4  0  42  o 16.53853 10.82445 2.223000       18.15576 2.223000       18.15576 2.223000       18.15576 16.53853 10.82445 16.53853 10.82445 0.000000       0.000000 
1 1 1 4  0  43  o 75.10774 7.250044 127.0000       21.78881 127.0000       21.78881 127.0000       21.78881 75.10774 7.250044 75.10774 7.250044 -0.000000      0.000000 
1 1 1 4  1  -43 o 25.00313 9.747808 15.08679       14.39082 9.751000       20.27879 20.50000       20.42539 24.36650 10.66739 27.80921 11.35018 -3.442709      15.57625 
1 1 1 4  1  -42 o 28.83641 9.912390 21.60254       14.14793 24.82000       19.96948 18.36000       20.04715 30.21072 11.56105 27.74311 11.27394 2.467609       16.14806 
1 1 1 4  1  -41 o 25.77716 8.193233 15.88570       9.722244 27.17000       19.62791 12.21700       11.19164 31.83002 11.60309 23.62399 8.736450 8.206028       14.52437 
1 1 1 4  1  -40 o 61.48221 5.958711 83.95623       14.81335 73.96000       20.94007 93.97000       20.95843 54.33319 9.771356 62.84491 8.351001 -8.511719      12.85374 
1 1 1 4  1  -39 o 32.59137 7.421745 24.84573       9.682009 36.34000       19.60863 21.13993       11.13391 36.78137 11.62907 29.56532 8.649691 7.216045       14.49318 
1 1 1 4  1  -38 o 21.68176 7.986477 9.217954       9.336723 6.201000       19.97495 10.06138       10.56149 25.18901 10.80682 22.69749 8.469194 2.491518       13.73007 
1 1 1 4  1  -37 o 28.45110 5.640370 17.80413       6.338754 19.76185       7.662555 13.56021       11.28189 29.74256 6.475770 25.27024 8.842604 4.472315       10.96026 
1 1 1 4  1  -36 o 72.18098 4.967182 110.0718       14.59155 102.7000       21.85582 116.0000       19.59924 68.07995 7.992148 73.25914 6.604446 -5.179192      10.36789 
1 1 1 4  1  -35 o 98.14903 4.285168 200.9100       17.18029 186.1000       25.80564 212.7000       23.02467 93.16074 6.811921 100.3355 5.626754 -7.174751      8.835306 
1 1 1 4  1  -34 o 89.16766 3.289169 164.3226       11.98873 158.7032       14.40276 177.0000       21.63292 87.42087 4.034398 91.66296 5.793276 -4.242096      7.059632 
1 1 1 4  1  -33 o 93.36698 3.240448 179.8046       12.36984 177.1241       14.80596 186.0000       22.50918 92.50998 3.917490 94.18296 5.865757 -1.672981      7.053639 
1 1 1 4  1  -32 o 116.8462 2.993847 280.8871       14.31234 280.0735       17.22735 282.7000       25.71464 116.5479 3.614224 116.5904 5.401008 -0.4257965E-01 6.498731 
1 1 1 4  1  -31 o 133.6447 2.953848 366.8740       16.16457 362.6782       19.40061 376.4000       29.23209 132.7307 3.572850 134.7785 5.307188 -2.047867      6.397773 
1 1 1 4  1  -30 o 52.17735 4.544937 56.49258       9.613537 58.80776       10.86590 48.15000       20.62642 53.16207 5.052253 46.78585 10.95999 6.376217       12.06842 
1 1 1 4  1  -29 o 127.0443 3.048384 331.1531       15.85803 330.6929       18.77230 332.3000       29.63281 126.8498 3.617821 126.7984 5.722097 0.5141449E-01  6.769861 
1 1 1 4  1  -28 o 124.2936 7.662415 320.7000       38.80811 320.7000       38.80811 0.000000       0.000000 124.2936 7.662415 ?        ?        ?              ?        
1 1 1 4  1  -27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  1  -26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  1  -25 o 125.8340 6.041352 326.0000       31.03746 0.000000       0.000000 326.0000       31.03746 ?        ?        125.8340 6.041352 ?              ?        
1 1 1 4  1  -24 f 136.0458 4.062722 379.7557       22.60684 406.2000       34.87977 360.6000       29.68629 140.5245 6.076096 132.4469 5.485686 8.077652       8.186067 
1 1 1 4  1  -23 o 218.8562 3.958722 981.6339       35.47629 1059.000       53.62001 921.4000       47.31209 227.1157 5.770416 211.8694 5.458098 15.24634       7.942829 
1 1 1 4  1  -22 o 268.8828 4.252474 1481.591       46.81976 1478.000       67.09554 1485.000       65.36465 268.4231 6.104490 269.0724 5.932659 -0.6493530     8.512417 
1 1 1 4  1  -21 o 330.1763 4.752243 2234.079       64.24938 2272.000       92.68419 2199.000       89.14389 332.8012 6.801369 327.4252 6.648982 5.376038       9.511444 
1 1 1 4  1  -20 o 284.8041 4.323859 1661.752       50.42458 1620.000       70.69154 1705.000       71.94727 281.1117 6.141355 288.3952 6.092590 -7.283508      8.650774 
1 1 1 4  1  -19 o 100.6506 3.790230 207.7918       15.59300 206.1000       23.13551 209.2000       21.10743 100.1246 5.666175 100.9148 5.124840 -0.7901993     7.639996 
1 1 1 4  1  -18 o 573.3638 7.317003 6740.957       171.7861 6642.000       239.9541 6845.000       246.0447 568.7112 10.30415 577.3188 10.40816 -8.607605      14.64600 
1 1 1 4  1  -17 f 215.8311 3.725776 954.1146       32.92722 944.6000       46.72620 963.5000       46.40769 214.7066 5.314846 216.8469 5.226516 -2.140335      7.454130 
1 1 1 4  1  -16 o 437.3650 8.203484 3925.000       146.9152 0.000000       0.000000 3925.000       146.9152 ?        ?        437.3650 8.203484 ?              ?        
1 1 1 4  1  -15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  1  -14 f 411.8829 5.514787 3477.547       93.00941 3549.000       133.9380 3411.000       129.2572 415.8300 7.866172 407.6810 7.743011 8.149048       11.03770 
1 1 1 4  1  -13 o 130.7978 3.274826 350.6401       17.52554 329.6000       24.86835 371.4000       24.70220 126.7293 4.801000 134.5550 4.489727 -7.825768      6.573222 
1 1 1 4  1  -12 o 81.00488 5.019736 135.0000       16.56828 0.000000       0.000000 135.0000       16.56828 ?        ?        81.00488 5.019736 ?              ?        
1 1 1 4  1  -11 o 201.6582 3.527214 832.9832       29.12541 834.5000       41.42166 831.5000       40.96129 201.7919 5.013020 201.4306 4.966194 0.3612213      7.056448 
1 1 1 4  1  -10 o 130.4299 3.166445 348.4173       16.91117 335.5000       23.79534 361.6000       24.03851 127.8848 4.551364 132.7788 4.427536 -4.893990      6.349645 
1 1 1 4  1  -9  o 86.50014 3.282140 153.4595       11.60405 132.1000       16.26525 175.6000       16.55994 80.14126 4.981182 92.48087 4.385525 -12.33961      6.636641 
1 1 1 4  1  -8  o 436.0822 5.752433 3896.896       102.7175 3934.000       146.4809 3861.000       144.0778 437.9547 8.168218 433.8779 8.109708 4.076874       11.51031 
1 1 1 4  1  -7  f 157.2322 3.198530 506.2751       20.59285 542.7000       30.09384 474.2000       28.23985 162.7070 4.521351 152.0829 4.539876 10.62407       6.407269 
1 1 1 4  1  -6  o 686.5057 8.582539 9665.242       241.2594 9629.000       339.9943 9702.000       342.4032 684.6446 12.12780 687.2274 12.16783 -2.582764      17.17962 
1 1 1 4  1  -5  o 492.1056 6.359637 4962.392       128.1489 5005.000       182.5566 4921.000       179.9318 493.9947 9.025077 489.8369 8.970817 4.157776       12.72508 
1 1 1 4  1  -4  o 850.2984 10.49556 14836.45       365.4276 14590.00       508.3426 15100.00       525.6786 842.2721 14.73940 856.8023 14.98357 -14.53021      21.01802 
1 1 1 4  1  -3  o 460.1452 5.999419 4338.097       113.0391 4307.000       158.8480 4370.000       160.8944 458.3285 8.464095 461.6647 8.511180 -3.336182      12.00338 
1 1 1 4  1  -2  o 458.4122 5.976903 4305.393       112.1907 4254.000       157.0146 4359.000       160.3615 455.5102 8.418169 461.0917 8.493532 -5.581512      11.95850 
1 1 1 4  1  -1  o 560.5206 7.123785 6438.830       163.5034 6489.000       232.8110 6390.000       229.6783 562.4186 10.10926 558.1182 10.05007 4.300354       14.25487 
1 1 1 4  1  0   o 378.2379 7.223951 2932.000       111.8830 0.000000       0.000000 2932.000       111.8830 ?        ?        378.2379 7.223951 ?              ?        
1 1 1 4  1  1   o 949.3401 16.52796 18550.00       642.4885 0.000000       0.000000 18550.00       642.4885 ?        ?        949.3401 16.52796 ?              ?        
1 1 1 4  1  2   o 423.0670 7.902575 3669.000       136.8996 0.000000       0.000000 3669.000       136.8996 ?        ?        423.0670 7.902575 ?              ?        
1 1 1 4  1  3   o 834.3876 10.30252 14284.28       351.9942 14210.00       495.4279 14360.00       500.1964 831.3320 14.55397 835.6927 14.61738 -4.360718      20.62731 
1 1 1 4  1  4   o 313.0309 4.423714 2006.990       56.70204 2003.000       80.09299 2011.000       80.28493 312.6560 6.256095 313.2796 6.258604 -0.6236267     8.849229 
1 1 1 4  1  5   o 438.0914 8.129291 3935.000       145.8283 3935.000       145.8283 0.000000       0.000000 438.0914 8.129291 ?        ?        ?              ?        
1 1 1 4  1  6   o 548.0124 6.977122 6155.420       156.5637 6155.420       156.5637 0.000000       0.000000 548.0124 6.977122 ?        ?        ?              ?        
1 1 1 4  1  7   f 404.5030 5.390524 3352.341       89.28471 3352.341       89.28471 0.000000       0.000000 404.5030 5.390524 ?        ?        ?              ?        
1 1 1 4  1  8   o 505.3369 5.304624 5232.223       109.7640 5316.820       136.4350 5077.000       184.8092 509.3051 6.542192 497.4212 9.073499 11.88388       11.18609 
1 1 1 4  1  9   o 208.2358 3.444389 888.0984       29.36919 851.9000       40.80637 927.0000       42.30264 203.9108 4.887237 212.7099 4.856858 -8.799088      6.890149 
1 1 1 4  1  10  o 480.7422 5.075655 4735.943       99.91457 4751.236       122.8063 4706.000       171.8422 481.4090 6.229912 478.7970 8.765042 2.612000       10.75350 
1 1 1 4  1  11  o 255.3182 3.152088 1335.137       32.95372 1338.828       40.58967 1328.000       56.44386 255.6455 3.877510 254.5388 5.415496 1.106674       6.660532 
1 1 1 4  1  12  o 346.1539 3.884771 2454.752       55.06290 2448.125       67.44353 2468.000       95.35611 345.6312 4.765440 346.8689 6.713652 -1.237671      8.233015 
1 1 1 4  1  13  o 380.6612 5.124208 2969.944       79.87112 3040.000       115.6229 2906.000       110.4633 384.9032 7.336146 376.3437 7.168181 8.559570       10.25680 
1 1 1 4  1  14  f 264.1992 3.218630 1429.678       34.81985 1462.747       43.53963 1371.000       57.99799 267.2078 3.979342 258.6185 5.476825 8.589233       6.769844 
1 1 1 4  1  15  o 153.3509 2.507332 481.5795       15.74427 498.3727       19.94321 453.8000       25.65014 155.9918 3.122260 148.7711 4.214875 7.220657       5.245348 
1 1 1 4  1  16  o 403.4815 4.389923 3335.155       72.52787 3335.155       72.52787 0.000000       0.000000 403.4815 4.389923 ?        ?        ?              ?        
1 1 1 4  1  17  f 113.3571 3.132907 263.3597       14.52794 263.3597       14.52794 0.000000       0.000000 113.3571 3.132907 ?        ?        ?              ?        
1 1 1 4  1  18  o 241.5303 3.084223 1194.693       30.50294 1207.496       37.58799 1170.000       52.20054 242.8044 3.780665 238.9563 5.334971 3.848083       6.538757 
1 1 1 4  1  19  o 205.9659 3.491873 868.8485       29.44952 868.8485       29.44952 0.000000       0.000000 205.9659 3.491873 ?        ?        ?              ?        
1 1 1 4  1  20  o 73.39676 2.856982 110.4910       8.569955 114.6418       10.37937 101.6000       15.19091 74.73765 3.400528 70.20977 5.323666 4.527878       6.317041 
1 1 1 4  1  21  o 254.6436 3.199346 1328.149       33.35941 1318.181       40.55623 1349.000       58.65938 253.6595 3.904649 256.5217 5.584560 -2.862183      6.814220 
1 1 1 4  1  22  o 350.0771 3.965997 2511.173       56.85131 2460.955       68.53181 2622.000       101.8081 346.4906 4.830325 357.4157 6.956398 -10.92514      8.468973 
1 1 1 4  1  23  o 531.4575 5.613708 5794.431       122.1639 5776.555       149.7473 5830.000       211.2342 530.3644 6.895412 532.0202 9.696424 -1.655823      11.89821 
1 1 1 4  1  24  f 226.8531 3.891520 1054.854       36.14834 1047.000       52.37176 1062.000       49.95667 225.7883 5.669110 227.5006 5.362736 -1.712357      7.803701 
1 1 1 4  1  25  o 93.24509 4.419353 178.7250       16.82563 182.5000       27.25375 176.4000       21.38833 93.92905 7.139493 92.51475 5.673292 1.414299       9.119135 
1 1 1 4  1  26  o 131.6961 4.000144 356.0325       21.54612 353.9000       33.74644 357.5000       27.99485 131.0433 6.307624 131.8481 5.195544 -0.8047333     8.171891 
1 1 1 4  1  27  o 108.3283 4.515679 241.3379       19.98646 296.3000       33.03364 209.6000       25.10232 119.7420 6.764806 100.7430 6.113976 18.99899       9.118295 
1 1 1 4  1  28  o 84.42928 5.661520 147.4037       19.45956 147.6000       33.09665 147.3000       24.05715 83.65707 9.850367 84.17174 7.044522 -0.5146713     12.11012 
1 1 1 4  1  29  o 179.2062 4.092279 660.0317       30.02913 715.2000       46.86359 621.6000       39.11435 185.9960 6.161798 173.5554 5.510926 12.44060       8.266685 
1 1 1 4  1  30  o 56.02328 8.223127 66.83016       18.30270 27.16000       30.09292 90.12000       23.05768 38.81278 14.33079 65.03912 8.890449 -26.22633      16.86451 
1 1 1 4  1  31  o 87.69628 5.718968 160.0359       20.42432 152.5000       32.81784 164.8000       26.09350 84.34442 9.677392 88.56827 7.258609 -4.223846      12.09708 
1 1 1 4  1  32  o 88.90250 5.675978 164.9028       20.55440 147.2000       33.68929 175.4000       25.94232 82.26141 10.22146 91.26538 6.995218 -9.003975      12.38593 
1 1 1 4  1  33  o 133.6524 4.557273 370.6564       24.90408 373.9000       39.40920 368.5000       32.13343 132.8828 7.270468 132.6526 5.930843 0.2301636      9.382676 
1 1 1 4  1  34  o 52.51336 9.333711 61.58708       19.33464 67.23000       31.25766 58.09000       24.60692 52.48842 14.20169 49.67286 12.19045 2.815559       18.71617 
1 1 1 4  1  35  o 99.39608 6.945854 212.1000       28.09167 0.000000       0.000000 212.1000       28.09167 ?        ?        99.39608 6.945854 ?              ?        
1 1 1 4  1  36  o 28.59381 11.79061 11.36000       22.33106 0.000000       0.000000 11.36000       22.33106 ?        ?        28.59381 11.79061 ?              ?        
1 1 1 4  1  37  o 58.51939 6.178406 74.30774       14.58150 74.69000       20.17878 73.89000       21.09440 57.01056 8.937540 56.32854 9.482090 0.6820221      13.03034 
1 1 1 4  1  38  o 21.16754 8.696732 5.606722       12.09148 9.278000       16.93516 1.789000       17.26962 24.98577 10.28170 22.56582 9.862418 2.419947       14.24713 
1 1 1 4  1  39  o 30.27268 9.399568 22.55878       12.86955 33.86000       18.31235 11.53000       18.09026 35.79628 11.22740 25.75591 10.61546 10.04037       15.45130 
1 1 1 4  1  40  o 33.81166 11.77883 31.42000       20.00538 31.42000       20.00538 0.000000       0.000000 33.81166 11.77883 ?        ?        ?              ?        
1 1 1 4  1  41  o 71.69818 5.230565 112.1224       15.25047 121.0000       22.28294 104.3000       20.91668 72.06058 7.669490 66.73299 7.801755 5.327591       10.94022 
1 1 1 4  1  42  o 21.40444 9.028011 6.332993       13.53447 8.451000       20.21765 4.613000       18.21923 24.57025 10.70594 22.76210 10.03305 1.808146       14.67240 
1 1 1 4  1  43  o 29.46973 9.879283 23.71057       14.04497 40.74000       20.45345 8.516000       19.32015 36.27505 11.91425 23.75188 10.40489 12.52318       15.81806 
1 1 1 4  2  -43 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  2  -42 o 16.28854 7.418086 -3.229912      10.88827 -8.086000      20.96650 -1.436642      12.74106 20.72522 9.730452 18.10774 8.157066 2.617483       12.69722 
1 1 1 4  2  -41 o 39.03038 7.403399 35.85830       11.39922 22.11000       21.51615 41.22308       13.44051 29.73254 11.81811 41.30513 8.235776 -11.57259      14.40471 
1 1 1 4  2  -40 o 47.88768 5.878405 51.05883       11.28525 47.23000       21.42134 52.52973       13.27716 40.99201 11.99916 47.82647 6.985839 -6.834457      13.88459 
1 1 1 4  2  -39 o 22.57085 8.313124 10.73676       10.11565 24.53000       19.54177 5.687973       11.82292 30.99784 11.52923 20.68713 8.559423 10.31071       14.35921 
1 1 1 4  2  -38 o 35.90454 7.280211 29.60366       10.33659 32.75000       20.34765 28.50929       12.00035 35.44515 11.89120 34.59227 8.527278 0.8528748      14.63268 
1 1 1 4  2  -37 o 14.22226 6.654125 -8.176173      9.661263 -33.34000      19.58121 -0.7923038E-01 11.10738 16.85395 8.271472 18.24206 7.942141 -1.388111      11.46712 
1 1 1 4  2  -36 o 26.27311 8.276799 15.35773       9.941339 -0.1312000     20.28431 20.25428       11.40498 24.05564 10.59546 29.73144 8.769548 -5.675793      13.75387 
1 1 1 4  2  -35 f 64.25856 2.923002 85.42731       7.670891 88.38670       9.680723 80.43395       12.57488 65.17926 3.641701 61.72377 5.018655 3.455486       6.200716 
1 1 1 4  2  -34 o 89.53368 2.609771 165.1720       9.557614 159.3406       12.82403 172.4582       14.33482 87.69191 3.578939 91.15150 3.849308 -3.459595      5.256042 
1 1 1 4  2  -33 o 90.01022 2.216409 166.4066       8.168948 167.8505       9.938116 163.3986       14.34372 90.29196 2.691011 88.79800 3.954805 1.493965       4.783516 
1 1 1 4  2  -32 o 57.15007 3.097813 67.39808       7.222205 63.64635       9.139171 73.63739       11.78581 55.37374 4.058879 59.41048 4.887952 -4.036747      6.353470 
1 1 1 4  2  -31 o 118.2040 2.134526 286.6001       10.33138 288.3640       12.87020 283.4039       17.32481 118.5066 2.652274 117.2831 3.611825 1.223534       4.481053 
1 1 1 4  2  -30 f 44.26908 8.037574 42.16000       14.03322 0.000000       0.000000 42.16000       14.03322 ?        ?        44.26908 8.037574 ?              ?        
1 1 1 4  2  -29 o 27.14190 8.554953 15.20009       10.61944 19.17000       32.87522 14.73759       11.22099 37.27567 14.67357 27.02038 8.821755 10.25528       17.12125 
1 1 1 4  2  -28 o 202.3986 4.213073 841.6889       34.91651 814.0000       53.52535 862.2000       46.06825 198.4250 6.596944 204.5207 5.505987 -6.095703      8.592763 
1 1 1 4  2  -27 o 134.5528 4.468496 372.2102       24.58531 406.5000       41.59602 353.8000       30.47886 140.1530 7.272994 131.0074 5.695307 9.145584       9.237584 
1 1 1 4  2  -26 o 82.77077 5.759892 141.4996       19.39982 182.5000       34.41301 122.4000       23.48772 93.51829 9.101745 76.68904 7.578660 16.82925       11.84389 
1 1 1 4  2  -25 o 237.5770 4.209425 1157.645       40.94978 1143.000       60.53526 1170.000       55.60218 235.7309 6.277028 238.6662 5.689531 -2.935287      8.471827 
1 1 1 4  2  -24 o 189.2298 5.278820 735.4000       40.86261 0.000000       0.000000 735.4000       40.86261 ?        ?        189.2298 5.278820 ?              ?        
1 1 1 4  2  -23 o 119.2602 5.386979 292.4000       26.23870 0.000000       0.000000 292.4000       26.23870 ?        ?        119.2602 5.386979 ?              ?        
1 1 1 4  2  -22 o 385.6066 7.673425 3055.000       121.1597 3055.000       121.1597 0.000000       0.000000 385.6066 7.673425 ?        ?        ?              ?        
1 1 1 4  2  -21 o 180.4090 5.749875 668.1000       42.42151 668.1000       42.42151 0.000000       0.000000 180.4090 5.749875 ?        ?        ?              ?        
1 1 1 4  2  -20 o 148.2650 5.708395 451.3000       34.59114 451.3000       34.59114 0.000000       0.000000 148.2650 5.708395 ?        ?        ?              ?        
1 1 1 4  2  -19 o 186.2930 3.680120 710.8578       28.07263 779.9000       43.17721 660.3000       36.94803 195.0045 5.412597 179.4406 5.033562 15.56392       7.391411 
1 1 1 4  2  -18 o 377.6884 5.209103 2922.857       80.56028 2932.000       114.8483 2914.000       113.0323 378.1241 7.417639 376.9694 7.322716 1.154724       10.42322 
1 1 1 4  2  -17 o 515.2210 6.674304 5441.728       140.8069 5499.000       201.4323 5387.000       196.9070 517.5853 9.504354 512.3036 9.386620 5.281677       13.35820 
1 1 1 4  2  -16 o 354.3235 4.951733 2572.246       71.84251 2586.000       102.5708 2559.000       100.6575 355.1357 7.053510 353.2839 6.958215 1.851776       9.908014 
1 1 1 4  2  -15 o 359.0561 4.986397 2641.649       73.31174 2685.000       105.3878 2601.000       102.0497 361.8369 7.113003 356.1414 6.997853 5.695465       9.978214 
1 1 1 4  2  -14 o 384.1544 5.235699 3024.457       82.35783 2961.000       114.6961 3092.000       118.3321 379.9135 7.372923 388.2190 7.443913 -8.305573      10.47721 
1 1 1 4  2  -13 o 421.1739 5.623280 3636.365       96.97852 3696.000       139.1229 3580.000       135.2555 424.3374 8.006873 417.6384 7.909156 6.699066       11.25454 
1 1 1 4  2  -12 o 171.2216 4.868778 601.3000       34.10057 601.3000       34.10057 0.000000       0.000000 171.2216 4.868778 ?        ?        ?              ?        
1 1 1 4  2  -11 o 562.5714 7.184214 6493.850       165.4936 6558.000       236.2101 6432.000       231.9351 564.7114 10.21522 559.2812 10.12772 5.430237       14.38476 
1 1 1 4  2  -10 o 401.5125 5.399319 3304.431       88.76922 3271.000       124.5004 3339.000       126.6033 399.2472 7.615607 403.3697 7.665092 -4.122498      10.80514 
1 1 1 4  2  -9  o 188.0289 3.430369 724.1590       26.41130 730.3000       37.63544 718.2000       37.07335 188.7196 4.874378 187.1506 4.841848 1.569031       6.870448 
1 1 1 4  2  -8  o 342.2645 4.767233 2400.163       66.81171 2423.000       95.20181 2378.000       93.78614 343.7596 6.763413 340.5554 6.725531 3.204285       9.538161 
1 1 1 4  2  -7  o 303.9170 4.380241 1892.126       54.51015 1914.000       77.76747 1871.000       76.42799 305.5811 6.215085 302.1311 6.177783 3.450043       8.763121 
1 1 1 4  2  -6  o 544.6315 6.962646 6080.911       155.2750 6036.000       218.1851 6127.000       221.0265 542.2648 9.826284 546.3293 9.880191 -4.064514      13.93463 
1 1 1 4  2  -5  o 61.56706 3.660989 77.90568       9.187678 88.21000       13.44168 68.87000       12.58706 65.42310 5.056848 57.72726 5.387196 7.695843       7.388747 
1 1 1 4  2  -4  o 593.3521 7.513309 7217.813       182.5442 7126.000       255.2040 7314.000       261.2140 589.1760 10.57835 596.8807 10.68770 -7.704712      15.03757 
1 1 1 4  2  -3  o 276.5248 4.104181 1566.140       46.47132 1596.000       66.71655 1538.000       64.76752 279.0932 5.837945 273.9774 5.773222 5.115814       8.210463 
1 1 1 4  2  -2  o 415.7219 5.525729 3540.768       94.06258 3645.000       136.3055 3446.000       129.9697 421.6464 7.894792 409.9859 7.741921 11.66052       11.05735 
1 1 1 4  2  -1  o 470.0308 6.117210 4526.951       117.7346 4652.000       170.5076 4413.000       162.7659 476.2735 8.743049 463.8932 8.568818 12.38034       12.24196 
1 1 1 4  2  0   o 499.4217 5.256308 5109.670       107.4911 5204.444       133.7767 4937.000       180.5697 503.9524 6.482858 490.6244 8.988172 13.32800       11.08218 
1 1 1 4  2  1   o 544.1970 5.667370 6067.567       126.2880 6025.981       153.6954 6154.000       221.5759 542.2343 6.922287 547.6636 9.880623 -5.429321      12.06419 
1 1 1 4  2  2   o 438.8769 4.711279 3945.444       84.66541 3919.959       103.1708 3998.000       148.1576 437.4034 5.760370 441.5680 8.194110 -4.164642      10.01625 
1 1 1 4  2  3   o 434.5016 4.666578 3867.181       83.02603 3886.240       102.1110 3830.000       142.6245 435.5159 5.725907 432.1935 8.059192 3.322357       9.886181 
1 1 1 4  2  4   o 884.0493 8.889832 16031.27       321.8062 16021.93       393.9226 16050.00       557.9742 883.3745 10.89035 882.8890 15.43418 0.4854126      18.88951 
1 1 1 4  2  5   o 670.2539 6.846465 9208.448       187.9014 9141.904       228.6140 9347.000       329.8778 667.6339 8.362576 674.4639 11.94456 -6.830017      14.58098 
1 1 1 4  2  6   o 341.3505 4.727295 2387.029       66.07508 2315.000       91.36784 2466.000       95.66904 336.0622 6.639712 346.8432 6.736182 -10.78098      9.458431 
1 1 1 4  2  7   o 293.1460 3.473084 1760.017       41.68922 1636.000       68.53304 1832.864       52.52510 282.5334 5.923874 299.1233 4.288370 -16.58987      7.313167 
1 1 1 4  2  8   o 368.9986 4.096191 2789.215       61.89125 2716.000       105.1141 2828.067       76.57172 363.9273 7.053780 371.5077 5.033572 -7.580383      8.665602 
1 1 1 4  2  9   o 553.4262 4.986417 6276.474       112.9985 6317.944       160.9736 6236.188       158.6596 554.9903 7.083449 551.3958 7.027137 3.594482       9.977770 
1 1 1 4  2  10  o 146.7068 2.177624 440.7342       13.08150 433.6228       18.57910 447.7257       18.42196 145.5039 3.118355 147.8525 3.042866 -2.348587      4.356968 
1 1 1 4  2  11  o 292.2255 3.469303 1749.254       41.51306 1760.672       51.06372 1727.000       71.29015 293.1398 4.254154 290.2129 5.999132 2.926941       7.354414 
1 1 1 4  2  12  o 104.1968 2.538166 222.3411       10.82926 222.5681       13.32759 221.9000       18.57825 104.1958 3.127295 103.9741 4.373469 0.2217255      5.376543 
1 1 1 4  2  13  o 342.4442 3.883683 2402.352       54.45755 2477.877       68.24892 2270.000       90.34756 347.7305 4.793234 332.6849 6.632220 15.04556       8.182996 
1 1 1 4  2  14  o 124.7203 2.524206 318.5455       12.89100 315.0997       15.72731 325.6000       22.50308 124.0365 3.096567 125.9886 4.368618 -1.952049      5.354769 
1 1 1 4  2  15  o 257.7117 3.219817 1360.227       33.97737 1346.001       41.30466 1390.000       59.75464 256.3390 3.935139 260.4266 5.603531 -4.087677      6.847253 
1 1 1 4  2  16  o 224.9210 2.996473 1036.027       27.59719 1024.516       33.57562 1060.000       48.45249 223.6530 3.666274 227.4469 5.202494 -3.793900      6.364551 
1 1 1 4  2  17  o 521.6675 5.472833 5576.420       116.9043 5585.707       143.3755 5558.000       201.9289 521.9891 6.707937 520.3584 9.477015 1.630676       11.61078 
1 1 1 4  2  18  o 269.0593 3.320369 1482.624       36.58128 1517.351       45.48170 1419.000       61.56252 272.1696 4.081057 263.1395 5.713550 9.030151       7.021373 
1 1 1 4  2  19  o 122.0620 3.253218 305.3626       16.24541 305.3626       16.24541 0.000000       0.000000 122.0620 3.253218 ?        ?        ?              ?        
1 1 1 4  2  20  o 76.29147 3.854691 119.5374       12.00274 119.5374       12.00274 0.000000       0.000000 76.29147 3.854691 ?        ?        ?              ?        
1 1 1 4  2  21  o 328.1140 4.659078 2206.472       62.59636 2206.472       62.59636 0.000000       0.000000 328.1140 4.659078 ?        ?        ?              ?        
1 1 1 4  2  22  o 260.7062 4.078680 1392.930       43.54069 1392.930       43.54069 0.000000       0.000000 260.7062 4.078680 ?        ?        ?              ?        
1 1 1 4  2  23  o 252.0980 4.037945 1302.707       41.68254 1302.707       41.68254 0.000000       0.000000 252.0980 4.037945 ?        ?        ?              ?        
1 1 1 4  2  24  o 94.57869 3.197436 183.5052       12.36501 183.5052       12.36501 0.000000       0.000000 94.57869 3.197436 ?        ?        ?              ?        
1 1 1 4  2  25  o 263.9570 3.390115 1428.111       36.64141 1386.606       44.45919 1516.000       64.69635 260.0155 4.175782 271.6539 5.816202 -11.63834      7.159983 
1 1 1 4  2  26  o 100.0456 3.863818 205.5970       15.79872 205.5970       15.79872 0.000000       0.000000 100.0456 3.863818 ?        ?        ?              ?        
1 1 1 4  2  27  o 76.38345 5.541026 120.6381       17.21277 130.7000       34.48680 117.3000       19.86386 78.44241 11.04206 75.17027 6.517814 3.272141       12.82220 
1 1 1 4  2  28  o 119.1651 4.373965 292.2346       21.30646 339.3000       40.72747 274.5000       25.00047 127.7225 7.825015 115.3456 5.307478 12.37686       9.455168 
1 1 1 4  2  29  o 101.4968 5.670379 213.3000       23.47246 0.000000       0.000000 213.3000       23.47246 ?        ?        101.4968 5.670379 ?              ?        
1 1 1 4  2  30  f 21.13127 9.475014 -6.959000      16.96943 0.000000       0.000000 -6.959000      16.96943 ?        ?        21.13127 9.475014 ?              ?        
1 1 1 4  2  31  o 150.0481 5.225439 466.7000       32.05636 0.000000       0.000000 466.7000       32.05636 ?        ?        150.0481 5.225439 ?              ?        
1 1 1 4  2  32  o 49.63023 10.17366 54.83000       19.98009 0.000000       0.000000 54.83000       19.98009 ?        ?        49.63023 10.17366 ?              ?        
1 1 1 4  2  33  o 62.00113 7.258881 82.39106       18.08020 101.1000       34.00885 75.02000       21.34678 65.82868 13.07796 58.33226 9.245087 7.496422       16.01577 
1 1 1 4  2  34  o 41.38631 10.01834 39.29068       16.79356 54.58000       30.98274 32.93000       19.98379 47.03947 14.58083 37.73658 11.71224 9.302895       18.70233 
1 1 1 4  2  35  f 77.16828 7.445342 129.6000       23.23422 0.000000       0.000000 129.6000       23.23422 ?        ?        77.16828 7.445342 ?              ?        
1 1 1 4  2  36  o 49.32832 10.56416 57.99000       20.69503 0.000000       0.000000 57.99000       20.69503 ?        ?        49.32832 10.56416 ?              ?        
1 1 1 4  2  37  o 70.51495 5.376732 106.5007       15.40767 78.01000       21.42797 137.0000       22.17047 57.76064 9.381534 78.91889 6.931046 -21.15825      11.66416 
1 1 1 4  2  38  o 35.55886 9.252918 30.74341       13.59995 11.37000       18.89695 51.56000       19.58815 26.29597 10.84496 45.17900 10.74585 -18.88303      15.26717 
1 1 1 4  2  39  o 46.87531 7.585368 51.13264       14.06238 48.14000       20.36507 53.86000       19.44149 42.21470 11.48057 45.61179 10.61015 -3.397087      15.63262 
1 1 1 4  2  40  o 43.87204 8.412241 46.40262       14.56236 67.17000       21.51328 28.84000       19.78383 50.78738 10.68399 32.64192 11.68234 18.14546       15.83113 
1 1 1 4  2  41  o 42.73037 8.730471 44.84164       14.75900 49.71000       21.43133 40.45000       20.35499 41.93213 11.92020 37.78185 11.83514 4.150272       16.79767 
1 1 1 4  2  42  o 24.02655 9.610413 12.26177       14.31733 9.091000       21.01164 15.01000       19.56156 24.78276 10.85380 26.26201 10.95004 -1.479244      15.41780 
1 1 1 4  2  43  o 23.59002 9.615031 11.99421       14.63356 16.66000       21.34028 7.853000       20.10488 26.48784 11.26133 23.66904 10.48120 2.818798       15.38419 
1 1 1 4  3  -42 o 25.54794 9.833209 16.02324       14.50347 43.37000       22.82694 -2.490000      18.78175 36.74263 12.59219 20.76597 9.563161 15.97666       15.81193 
1 1 1 4  3  -41 o 32.55333 8.884126 26.78346       12.17027 5.552000       22.57355 35.48372       14.45027 24.67278 11.00504 37.11535 9.476534 -12.44256      14.52293 
1 1 1 4  3  -40 o 61.77724 5.097252 83.06225       12.77941 60.49000       23.42266 92.62955       15.24907 46.42151 12.17434 64.69064 5.818866 -18.26913      13.49347 
1 1 1 4  3  -39 o 25.45390 8.778180 15.20461       11.09844 -0.6237000     20.99438 21.34356       13.07473 22.95883 10.39440 29.24422 9.520912 -6.285389      14.09579 
1 1 1 4  3  -38 o 47.42343 5.917970 49.67083       11.24244 37.53000       20.98399 54.55882       13.31462 37.22198 12.05740 49.18904 6.791562 -11.96707      13.83858 
1 1 1 4  3  -37 o 43.15526 6.375899 41.19840       10.92798 28.17000       21.14068 45.94902       12.76581 33.79629 12.07851 45.21906 7.130467 -11.42277      14.02619 
1 1 1 4  3  -36 o 74.01189 3.999051 114.7780       12.07444 60.51000       23.79023 133.6075       14.01349 49.21117 11.93126 79.72383 4.308743 -30.51266      12.68543 
1 1 1 4  3  -35 o 75.46903 3.918705 118.8736       12.06829 92.36000       27.11477 125.4233       13.47674 62.56870 10.98386 77.38918 4.269395 -14.82048      11.78444 
1 1 1 4  3  -34 o 106.2994 2.541070 232.6920       11.06042 230.1088       15.54165 235.3428       15.74390 105.3382 3.608515 106.5285 3.614527 -1.190346      5.107464 
1 1 1 4  3  -33 o 32.14554 3.792317 21.66780       4.895744 26.41732       5.542039 4.792601       10.44646 35.52051 3.873024 20.38078 8.189557 15.13973       9.059203 
1 1 1 4  3  -32 o 60.03952 3.344026 74.51771       8.188645 70.02592       11.47038 79.18622       11.69384 57.87740 4.885570 61.62344 4.669075 -3.746033      6.757888 
1 1 1 4  3  -31 o 183.0998 2.589799 688.5638       19.41682 662.8066       27.82639 713.0061       27.10682 179.3195 3.789701 186.0606 3.557950 -6.741058      5.198158 
1 1 1 4  3  -30 o 116.0556 3.181790 277.0242       15.10609 263.0000       19.96595 295.8000       23.10200 112.8567 4.328566 119.6013 4.726563 -6.744530      6.409124 
1 1 1 4  3  -29 o 122.8924 3.354999 310.4734       16.86691 303.3000       21.51955 321.9000       27.16001 121.2960 4.339728 124.7504 5.329242 -3.454330      6.872704 
1 1 1 4  3  -28 o 181.2721 3.151762 674.3369       23.39423 690.6901       29.43657 646.3000       38.54338 183.3391 3.921099 177.0007 5.324079 6.338379       6.612173 
1 1 1 4  3  -27 o 224.9406 3.326370 1038.024       30.63818 1020.876       37.77360 1071.000       52.38128 222.9518 4.137643 228.0617 5.609179 -5.109940      6.970149 
1 1 1 4  3  -26 o 38.11919 6.665957 30.79745       10.02606 30.14350       11.62210 32.70000       19.82358 37.52264 7.818292 39.25282 11.55739 -1.730175      13.95346 
1 1 1 4  3  -25 o 141.1491 3.424845 408.4413       19.79445 383.6000       25.33095 447.4000       31.72243 136.6464 4.533469 147.5011 5.260691 -10.85474      6.944581 
1 1 1 4  3  -24 o 321.4475 3.862157 2118.508       50.83519 2076.802       61.66137 2207.000       89.81944 318.1548 4.733151 327.6277 6.695229 -9.472900      8.199317 
1 1 1 4  3  -23 o 197.3239 3.554603 797.9894       28.72072 788.6000       38.47930 809.8000       43.15631 196.0779 4.792634 198.5835 5.312110 -2.505585      7.154568 
1 1 1 4  3  -22 o 357.0944 4.099759 2613.797       59.94675 2582.277       72.83242 2680.000       105.5534 354.8314 5.012776 361.1570 7.137591 -6.325592      8.721991 
1 1 1 4  3  -21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  3  -20 o 54.58771 4.427221 61.46436       9.810926 65.27000       11.99941 53.79000       17.03991 56.17916 5.278098 50.48163 8.548212 5.697525       10.04640 
1 1 1 4  3  -19 o 595.3128 10.73488 7288.000       261.6777 0.000000       0.000000 7288.000       261.6777 ?        ?        595.3128 10.73488 ?              ?        
1 1 1 4  3  -18 o 702.6677 8.817361 10134.70       253.6957 10170.00       360.3341 10100.00       357.2455 702.9745 12.51818 700.5697 12.45349 2.404785       17.65770 
1 1 1 4  3  -17 o 460.3220 6.076410 4343.012       114.5337 4339.000       162.2085 4347.000       161.7426 459.8566 8.614435 460.2841 8.581717 -0.4275208     12.15954 
1 1 1 4  3  -16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  3  -15 f 162.6186 3.316111 541.5966       22.08125 541.5966       22.08125 0.000000       0.000000 162.6186 3.316111 ?        ?        ?              ?        
1 1 1 4  3  -14 o 118.3120 3.225004 286.8938       15.60912 286.8938       15.60912 0.000000       0.000000 118.3120 3.225004 ?        ?        ?              ?        
1 1 1 4  3  -13 o 320.7858 3.729393 2107.845       48.98664 2059.675       58.81048 2217.000       88.52952 317.0620 4.529873 328.8162 6.575223 -11.75415      7.984567 
1 1 1 4  3  -12 o 207.4025 2.912657 880.9770       24.73591 880.7748       30.06914 881.4000       43.50541 207.3625 3.541330 207.3813 5.123294 -0.1878357E-01 6.228094 
1 1 1 4  3  -11 o 83.66752 3.253729 143.5999       11.12587 157.1000       14.70073 125.5000       17.02197 87.47000 4.115997 78.06385 5.357680 9.406151       6.756195 
1 1 1 4  3  -10 f 164.3335 2.677442 553.0666       18.01651 544.3061       21.77147 572.1000       32.09074 163.0149 3.261639 167.0193 4.696997 -4.004333      5.718398 
1 1 1 4  3  -9  o 425.3797 4.612487 3707.981       80.34083 3621.261       96.33979 3906.000       145.5800 420.2869 5.598033 436.1754 8.151098 -15.88849      9.888295 
1 1 1 4  3  -8  o 299.1173 3.542037 1832.715       43.38294 1800.305       52.32354 1904.000       77.60007 296.4251 4.310799 304.7204 6.219224 -8.295288      7.567148 
1 1 1 4  3  -7  f 224.8489 3.697756 1035.624       34.04501 1053.000       48.68893 1019.000       47.62261 226.6678 5.245853 222.9797 5.215831 3.688095       7.397558 
1 1 1 4  3  -6  o 463.9250 4.949103 4410.215       94.01535 4439.694       115.7277 4353.000       161.2274 465.3728 6.073121 460.5172 8.550048 4.855621       10.48743 
1 1 1 4  3  -5  o 586.3667 6.069005 7047.670       145.7173 7021.609       177.7913 7101.000       254.3329 585.1107 7.420754 587.8774 10.56553 -2.766663      12.91116 
1 1 1 4  3  -4  o 378.8911 4.197382 2940.721       65.12043 2953.286       79.97551 2916.000       112.1784 379.6491 5.144584 377.0955 7.264963 2.553589       8.902047 
1 1 1 4  3  -3  o 98.90649 2.540520 200.4522       10.28045 193.3198       12.45492 215.7000       18.21064 97.10762 3.136413 102.5228 4.347780 -5.415154      5.360995 
1 1 1 4  3  -2  o 441.8332 4.744620 3999.291       85.83891 3956.504       104.1341 4090.000       151.6221 439.3962 5.787785 446.5287 8.292562 -7.132507      10.11262 
1 1 1 4  3  -1  o 155.0702 3.176272 492.4598       20.16836 531.9000       29.44438 457.6000       27.68187 161.0768 4.468533 149.3912 4.530520 11.68553       6.363442 
1 1 1 4  3  0   o 358.3193 3.474284 2629.521       50.97532 2619.375       71.87679 2639.790       72.30511 357.5691 4.909127 358.9594 4.919254 -1.390289      6.949719 
1 1 1 4  3  1   o 501.6956 4.573690 5156.115       93.95750 5120.128       132.0340 5193.034       133.7343 499.8008 6.451553 503.3432 6.488647 -3.542419      9.150141 
1 1 1 4  3  2   o 309.2331 3.604463 1958.498       45.64056 1986.000       79.82976 1945.144       55.62894 311.2831 6.263035 308.1494 4.408746 3.133789       7.659155 
1 1 1 4  3  3   o 354.1086 3.444590 2568.123       49.94574 2571.282       70.74907 2564.984       70.51937 354.2657 4.877162 353.8320 4.867287 0.4336853      6.890370 
1 1 1 4  3  4   o 335.8971 3.311887 2310.736       45.55186 2343.045       65.14159 2279.821       63.72198 338.1803 4.704199 333.5882 4.665027 4.592041       6.625101 
1 1 1 4  3  5   o 228.0212 2.592211 1064.728       24.20305 1070.875       34.40460 1058.705       34.05466 228.6536 3.674633 227.3511 3.658095 1.302505       5.185035 
1 1 1 4  3  6   o 60.77831 2.529304 75.77729       6.280928 88.90137       9.293928 64.74430       8.521412 65.79107 3.462097 56.09727 3.730960 9.693798       5.089811 
1 1 1 4  3  7   f 628.6074 6.467438 8102.966       166.4701 8147.240       204.9017 8017.000       285.5177 630.0682 7.942066 624.2816 11.16935 5.786621       13.70514 
1 1 1 4  3  8   o 396.1675 3.760354 3215.119       61.00031 3170.878       85.35718 3261.299       87.20750 393.3231 5.299882 398.8884 5.339223 -5.565308      7.523035 
1 1 1 4  3  9   o 194.5172 2.411131 774.8487       19.20451 753.1415       26.91750 797.3536       27.40769 191.7491 3.428285 197.2981 3.392541 -5.548950      4.823119 
1 1 1 4  3  10  f 184.5054 2.752223 697.1893       20.79300 698.4385       25.48176 694.7000       35.97041 184.6560 3.370091 184.0551 4.776837 0.6009369      5.845997 
1 1 1 4  3  11  o 124.1884 2.573801 315.8463       13.08821 314.7815       15.99977 318.0000       22.75488 123.9302 3.155481 124.4965 4.470939 -0.5663223     5.472326 
1 1 1 4  3  12  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4  3  13  o 159.9988 2.665993 524.2485       17.46627 500.0377       20.95795 579.3000       31.60304 156.2506 3.275690 168.0855 4.596022 -11.83492      5.643896 
1 1 1 4  3  14  o 113.6148 3.314117 264.5988       15.40149 297.0000       23.33777 239.6000       20.49925 120.3054 4.746821 108.0424 4.644456 12.26304       6.641030 
1 1 1 4  3  15  f 408.4633 7.790817 3422.000       130.3048 3422.000       130.3048 0.000000       0.000000 408.4633 7.790817 ?        ?        ?              ?        
1 1 1 4  3  16  o 272.0677 5.917603 1517.000       65.92457 1517.000       65.92457 0.000000       0.000000 272.0677 5.917603 ?        ?        ?              ?        
1 1 1 4  3  17  o 151.3357 3.322791 469.0494       20.59059 469.0494       20.59059 0.000000       0.000000 151.3357 3.322791 ?        ?        ?              ?        
1 1 1 4  3  18  o 400.6802 4.410074 3289.045       72.35494 3329.816       89.47453 3212.000       122.9963 403.0898 5.420923 395.7097 7.590862 7.380066       9.327786 
1 1 1 4  3  19  o 412.1038 4.513764 3479.751       76.16752 3539.959       94.63275 3369.000       128.3482 415.5692 5.561266 405.1850 7.735919 10.38425       9.527441 
1 1 1 4  3  20  o 421.1890 5.603363 3637.400       96.63849 3699.000       137.9268 3578.000       135.4420 424.4249 7.936395 417.4273 7.924069 6.997589       11.21504 
1 1 1 4  3  21  f 440.7556 5.822501 3985.037       105.0828 3870.000       144.2794 4115.000       153.3546 433.9504 8.119699 447.4230 8.370550 -13.47263      11.66172 
1 1 1 4  3  22  o 182.0512 3.460534 679.1194       25.79652 714.7000       36.49749 643.6000       36.46611 186.6275 4.779920 177.0724 5.034486 9.555038       6.942167 
1 1 1 4  3  23  o 31.20220 7.554430 20.82528       9.547625 16.68713       12.10418 27.64000       15.53302 28.73682 9.142901 36.09203 10.10965 -7.355209      13.63076 
1 1 1 4  3  24  o 256.1256 3.387093 1344.541       35.52258 1381.790       44.73911 1281.000       58.43246 259.5723 4.209248 249.7494 5.713803 9.822922       7.096853 
1 1 1 4  3  25  o 74.89085 5.764495 115.9368       17.54131 89.34000       34.65270 125.1000       20.33978 64.22536 13.60068 77.72161 6.449182 -13.49625      15.05226 
1 1 1 4  3  26  o 290.4819 3.663018 1730.878       43.56949 1732.978       54.09800 1727.000       73.50301 290.5073 4.547783 289.6394 6.197595 0.8679504      7.687166 
1 1 1 4  3  27  o 45.56345 5.123270 43.23798       9.393022 52.30355       14.81650 37.14622       12.14560 49.74976 7.506681 41.78983 7.366901 7.959934       10.51768 
1 1 1 4  3  28  o 63.30375 4.603334 82.88531       11.85082 69.23618       15.13696 104.5000       19.04849 57.50242 6.545134 70.77169 6.651161 -13.26927      9.331491 
1 1 1 4  3  29  o 151.0144 2.306367 467.6508       14.26170 471.4782       18.90704 462.5985       21.72309 151.5414 3.046967 150.0356 3.535925 1.505844       4.667630 
1 1 1 4  3  30  o 140.3775 2.540895 404.4402       14.60524 412.5515       17.12506 382.8000       27.97165 141.7176 2.951100 135.9943 5.031790 5.723328       5.833344 
1 1 1 4  3  31  o 107.4460 3.438049 237.9195       15.10662 165.4000       40.50488 249.6366       16.28135 86.48081 11.74133 110.0240 3.618844 -23.54322      12.28637 
1 1 1 4  3  32  o 26.58312 8.193427 15.11393       9.799565 28.34000       34.85487 13.97871       10.21147 39.21097 15.20297 25.89193 8.412960 13.31904       17.37550 
1 1 1 4  3  33  o 39.53260 9.651215 35.45502       15.48454 59.07000       34.64499 29.56000       17.30968 48.93070 15.45595 36.07448 10.84392 12.85622       18.88059 
1 1 1 4  3  34  o 23.78573 9.622057 7.039035       14.52685 4.266000       29.33507 7.940000       16.72104 29.79632 12.94045 25.29498 10.28992 4.501335       16.53293 
1 1 1 4  3  35  o 47.00407 10.08723 51.73000       18.83357 0.000000       0.000000 51.73000       18.83357 ?        ?        47.00407 10.08723 ?              ?        
1 1 1 4  3  36  o 21.76643 9.047723 4.807327       13.29600 -0.3944000E-01 19.73624 8.835000       17.99142 23.66783 10.43693 25.68052 10.58561 -2.012697      14.86555 
1 1 1 4  3  37  o 28.03479 9.817010 17.79088       13.90684 14.74000       18.96445 21.34000       20.45445 27.87342 11.08998 30.84466 11.72547 -2.971243      16.13922 
1 1 1 4  3  38  o 32.98635 9.746009 27.14384       14.07640 16.11000       19.96522 38.05000       19.84937 28.05226 11.30437 37.72170 11.66698 -9.669441      16.24522 
1 1 1 4  3  39  o 53.72669 7.095854 66.23676       15.22930 72.76000       22.50946 60.73000       20.68144 52.91221 10.75624 48.20331 10.75176 4.708904       15.20845 
1 1 1 4  3  40  o 25.75121 9.793648 14.85578       14.27374 13.27000       21.57578 16.09000       19.03445 26.92045 11.37887 27.28984 11.02329 -0.3693943     15.84272 
1 1 1 4  3  41  o 20.95156 9.148677 3.194733       14.83148 4.439000       22.42328 2.227000       19.77517 24.34790 10.90646 22.83007 10.23320 1.517832       14.95557 
1 1 1 4  3  42  o 25.20931 9.997804 15.00203       15.36566 36.31000       23.31151 -1.368000      20.43262 33.67745 12.57919 21.69552 9.985203 11.98193       16.06052 
1 1 1 4  4  0   o 285.2215 4.207426 1666.102       49.13864 1731.000       71.49594 1608.000       67.64862 290.6739 6.006907 280.1598 5.896966 10.51410       8.417668 
1 1 1 4  4  1   o 257.9523 2.796890 1362.700       29.54195 1361.983       41.83149 1363.414       41.72598 257.8464 3.962029 257.9823 3.949955 -0.1358337     5.594625 
1 1 1 4  4  2   o 290.6588 3.013069 1730.258       35.86055 1755.694       51.31465 1705.978       50.13490 292.7361 4.280954 288.5634 4.243013 4.172699       6.027415 
1 1 1 4  4  3   f 484.6411 4.450627 4812.452       88.32138 4813.633       124.9462 4811.272       124.8644 484.5154 6.297834 484.3969 6.295247 0.1184692      8.904654 
1 1 1 4  4  4   o 310.8965 3.151672 1979.686       40.12189 1970.452       56.60920 1989.005       56.87356 310.1099 4.458071 311.5665 4.457951 -1.456573      6.304579 
1 1 1 4  4  5   o 662.4994 5.878183 8998.559       159.4604 9087.960       227.6490 8912.438       223.4324 665.3076 8.356394 658.8680 8.281771 6.439514       11.76508 
1 1 1 4  4  6   o 425.1338 3.991163 3702.853       69.47835 3696.732       98.18923 3708.992       98.32535 424.6398 5.647013 425.3435 5.645485 -0.7037354     7.985002 
1 1 1 4  4  7   o 192.9064 3.459367 762.2659       27.32547 762.2659       27.32547 0.000000       0.000000 192.9064 3.459367 ?        ?        ?              ?        
1 1 1 4  4  8   f 303.8577 4.399169 1891.847       54.73503 1891.847       54.73503 0.000000       0.000000 303.8577 4.399169 ?        ?        ?              ?        
1 1 1 4  4  9   o 143.4858 3.241612 421.6963       19.04560 421.6963       19.04560 0.000000       0.000000 143.4858 3.241612 ?        ?        ?              ?        
1 1 1 4  4  10  o 389.2912 4.310154 3104.950       68.70556 3138.880       84.77264 3040.000       117.2886 391.3415 5.290239 384.9253 7.441403 6.416229       9.130231 
1 1 1 4  4  11  o 386.8307 4.285020 3065.658       67.87318 3078.705       83.36177 3040.000       116.9050 387.5885 5.252568 384.9543 7.416510 2.634155       9.088129 
1 1 1 4  4  12  o 143.6502 3.196212 422.6232       18.80036 427.4000       26.01354 417.4000       27.20169 144.3708 4.405593 142.6566 4.662981 1.714188       6.415032 
1 1 1 4  4  13  o 273.0695 4.106713 1527.436       45.91895 1552.000       65.02448 1503.000       64.85425 275.1878 5.770630 270.8051 5.848670 4.382690       8.216271 
1 1 1 4  4  14  o 424.0874 5.635676 3685.550       97.86465 3630.000       136.1122 3745.000       140.8104 420.6937 7.901447 427.2913 8.047968 -6.597595      11.27842 
1 1 1 4  4  15  o 335.9471 4.713451 2312.141       64.83871 2298.000       90.58047 2327.000       92.85333 334.8148 6.607018 336.9128 6.730627 -2.097992      9.431543 
1 1 1 4  4  16  o 269.3600 4.080320 1486.211       45.00406 1469.000       62.29432 1505.000       65.08828 267.7321 5.682292 270.9842 5.865898 -3.252014      8.166836 
1 1 1 4  4  17  o 113.7918 2.863849 265.3458       13.33337 267.6563       16.43697 260.9000       22.80013 114.2601 3.517388 112.7304 4.951450 1.529686       6.073621 
1 1 1 4  4  18  o 123.1908 2.860730 310.8090       14.43044 315.9106       17.79161 301.0000       24.67022 124.1382 3.503644 121.0885 4.986270 3.049652       6.094130 
1 1 1 4  4  19  o 175.6014 2.916356 631.5807       20.96973 641.1019       25.90922 613.5000       35.70403 176.9017 3.576826 172.9254 5.047766 3.976379       6.186568 
1 1 1 4  4  20  o 276.7321 3.477720 1568.993       39.40747 1561.506       48.24647 1584.000       68.30571 276.0216 4.268724 277.8578 6.003576 -1.836243      7.366473 
1 1 1 4  4  21  o 53.18563 4.874125 58.49502       10.49698 61.48275       13.01319 52.93000       17.76015 54.41206 5.936892 49.95040 9.014907 4.461662       10.79422 
1 1 1 4  4  22  o 131.7735 3.093385 355.7830       16.69115 355.3214       20.88039 356.6000       27.77972 131.6020 3.879055 131.7339 5.159965 -0.1319122     6.455409 
1 1 1 4  4  23  o 46.67682 8.976803 46.43584       16.53428 59.65000       34.21571 42.41000       18.88575 52.75906 15.08251 44.40318 10.54494 8.355881       18.40320 
1 1 1 4  4  24  o 105.2850 4.878286 228.0360       20.97374 240.8000       38.88764 222.8000       24.90687 107.6168 8.904475 103.9540 5.875232 3.662849       10.66808 
1 1 1 4  4  25  o 72.96755 4.286601 109.6579       12.75117 112.1333       15.83974 105.1000       21.49341 73.67713 5.285500 70.98541 7.508214 2.691719       9.182036 
1 1 1 4  4  26  o 150.1176 3.215439 462.2124       19.76498 450.9256       24.74592 482.1000       32.84817 148.1359 4.083508 152.9947 5.251153 -4.858826      6.652040 
1 1 1 4  4  27  o 150.5832 3.209573 465.3262       19.79011 474.3254       25.11944 450.6000       32.13310 151.8758 4.042810 147.7883 5.318597 4.087540       6.680703 
1 1 1 4  4  28  o 76.84123 4.064553 121.7865       12.74336 123.0526       16.30610 119.8000       20.42552 77.06149 5.198006 75.74206 6.653387 1.319427       8.443152 
1 1 1 4  4  29  o 66.00317 4.300905 90.15376       11.56051 89.42164       14.60950 91.38000       18.90743 65.51280 5.496727 65.85065 7.125476 -0.3378525     8.999246 
1 1 1 4  4  30  o 113.5752 3.303371 265.5934       15.34630 265.9626       19.54610 265.0000       24.77904 113.4539 4.214749 112.9264 5.374184 0.5275116      6.829784 
1 1 1 4  4  31  o 142.4680 2.629820 417.1447       15.34150 438.5458       23.66491 401.6302       20.14903 145.6696 3.971155 139.5373 3.529297 6.132294       5.312815 
1 1 1 4  4  32  o 81.70451 3.031903 137.7275       10.12586 132.1256       15.36759 142.0258       13.46126 79.58448 4.737208 82.74335 3.984803 -3.158867      6.190299 
1 1 1 4  4  33  o 57.31244 3.728551 68.32200       8.702611 74.09052       12.96788 63.59540       11.73846 59.19605 5.409705 54.84737 5.292390 4.348675       7.567978 
1 1 1 4  4  34  o 22.54740 6.561846 11.11390       6.422550 9.843756       8.062289 13.31978       10.62482 21.94829 7.484514 25.20100 8.592053 -3.252714      11.39479 
1 1 1 4  4  35  o 32.99750 7.760215 24.78442       10.30815 12.39000       22.00816 28.26763       11.66703 28.59684 11.73927 35.09089 8.258143 -6.494053      14.35296 
1 1 1 4  4  36  o 98.03731 4.060020 201.7509       16.26309 0.000000       0.000000 201.7509       16.26309 ?        ?        98.03731 4.060020 ?              ?        
1 1 1 4  4  37  o 83.00572 4.682544 146.8933       15.85075 0.000000       0.000000 146.8933       15.85075 ?        ?        83.00572 4.682544 ?              ?        
1 1 1 4  4  38  f 18.67400 8.098299 1.433741       11.45464 -5.896000      20.76150 4.641306       13.73416 21.73163 10.02465 21.23624 9.031621 0.4953899      13.49310 
1 1 1 4  4  39  o 34.14736 10.01468 30.19259       14.90945 27.64000       22.02956 32.35000       20.25264 32.07467 12.17429 34.18792 11.85479 -2.113251      16.99263 
1 1 1 4  4  40  o 17.02152 8.047060 -11.38490      14.79258 19.92000       23.04278 -33.33000      19.29290 29.16649 11.99675 16.15966 7.984152 13.00684       14.41072 
1 1 1 4  4  41  o 22.33157 10.14554 0.6596000      20.21306 0.000000       0.000000 0.6596000      20.21306 ?        ?        22.33157 10.14554 ?              ?        
1 1 1 4  4  42  o 30.58565 11.93042 28.53000       21.56574 0.000000       0.000000 28.53000       21.56574 ?        ?        30.58565 11.93042 ?              ?        
1 1 1 5  0  -43 o 25.89497 14.17348 27.57000       21.49122 27.57000       21.49122 27.57000       21.49122 25.89497 14.17348 25.89497 14.17348 -0.000000      0.000000 
1 1 1 5  0  -42 o 40.38891 7.258218 38.34045       10.85184 38.34045       10.85184 38.34045       10.85184 40.38891 7.258218 40.38891 7.258218 -0.000000      0.000000 
1 1 1 5  0  -41 o 24.21718 10.14410 18.34038       10.08810 18.34038       10.08810 18.34038       10.08810 24.21718 10.14410 24.21718 10.14410 0.000000       0.000000 
1 1 1 5  0  -40 o 33.92757 14.58368 39.34000       20.76230 39.34000       20.76230 39.34000       20.76230 33.92757 14.58368 33.92757 14.58368 0.000000       0.000000 
1 1 1 5  0  -39 o 27.50821 10.09894 22.04745       10.50670 22.04745       10.50670 22.04745       10.50670 27.50821 10.09894 27.50821 10.09894 0.000000       0.000000 
1 1 1 5  0  -38 o 20.44735 10.26858 13.71734       10.56235 13.71734       10.56235 13.71734       10.56235 20.44735 10.26858 20.44735 10.26858 -0.000000      0.000000 
1 1 1 5  0  -37 o 26.58759 10.54036 20.98324       11.06086 20.98324       11.06086 20.98324       11.06086 26.58759 10.54036 26.58759 10.54036 0.000000       0.000000 
1 1 1 5  0  -36 o 31.31149 10.11137 26.39629       11.44989 26.39629       11.44989 26.39629       11.44989 31.31149 10.11137 31.31149 10.11137 0.000000       0.000000 
1 1 1 5  0  -35 o 23.60887 10.56710 17.18602       10.87530 17.18602       10.87530 17.18602       10.87530 23.60887 10.56710 23.60887 10.56710 0.000000       0.000000 
1 1 1 5  0  -34 o 113.5141 3.664217 266.0212       16.99136 266.0212       16.99136 266.0212       16.99136 113.5141 3.664217 113.5141 3.664217 -0.000000      0.000000 
1 1 1 5  0  -33 o 36.33456 8.351954 31.39156       10.81869 31.39156       10.81869 31.39156       10.81869 36.33456 8.351954 36.33456 8.351954 0.000000       0.000000 
1 1 1 5  0  -32 o 33.03879 8.855429 26.96447       10.35120 26.96447       10.35120 26.96447       10.35120 33.03879 8.855429 33.03879 8.855429 -0.000000      0.000000 
1 1 1 5  0  -31 o 63.36981 4.646067 83.87815       11.90355 83.87815       11.90355 83.87815       11.90355 63.36981 4.646067 63.36981 4.646067 0.000000       0.000000 
1 1 1 5  0  -30 o 21.04307 10.55651 13.56000       11.15697 13.56000       11.15697 13.56000       11.15697 21.04307 10.55651 21.04307 10.55651 0.000000       0.000000 
1 1 1 5  0  -29 o 160.7148 6.099288 533.5000       40.00690 533.5000       40.00690 533.5000       40.00690 160.7148 6.099288 160.7148 6.099288 -0.000000      0.000000 
1 1 1 5  0  -28 o 16.44945 11.36627 -20.06000      25.89120 -20.06000      25.89120 -20.06000      25.89120 16.44945 11.36627 16.44945 11.36627 0.000000       0.000000 
1 1 1 5  0  -27 o 211.3547 5.949349 919.1000       51.39571 919.1000       51.39571 919.1000       51.39571 211.3547 5.949349 211.3547 5.949349 -0.000000      0.000000 
1 1 1 5  0  -26 o 90.89221 7.963619 173.6000       29.09265 173.6000       29.09265 173.6000       29.09265 90.89221 7.963619 90.89221 7.963619 -0.000000      0.000000 
1 1 1 5  0  -25 o 65.44261 10.82776 94.98000       26.63006 94.98000       26.63006 94.98000       26.63006 65.44261 10.82776 65.44261 10.82776 -0.000000      0.000000 
1 1 1 5  0  -24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  0  -23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  0  -22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  0  -21 o 49.53449 11.74292 58.05000       20.67730 58.05000       20.67730 58.05000       20.67730 49.53449 11.74292 49.53449 11.74292 0.000000       0.000000 
1 1 1 5  0  -20 o 272.0026 6.030312 1518.000       67.08959 1518.000       67.08959 1518.000       67.08959 272.0026 6.030312 272.0026 6.030312 -0.000000      0.000000 
1 1 1 5  0  -19 o 394.2654 7.619437 3189.000       122.9051 3189.000       122.9051 3189.000       122.9051 394.2654 7.619437 394.2654 7.619437 0.000000       0.000000 
1 1 1 5  0  -18 o 385.5959 7.482572 3050.000       118.0426 3050.000       118.0426 3050.000       118.0426 385.5959 7.482572 385.5959 7.482572 0.000000       0.000000 
1 1 1 5  0  -17 o 32.48427 12.77275 29.74000       16.29085 29.74000       16.29085 29.74000       16.29085 32.48427 12.77275 32.48427 12.77275 0.000000       0.000000 
1 1 1 5  0  -16 o 305.9410 6.347390 1920.000       79.43927 1920.000       79.43927 1920.000       79.43927 305.9410 6.347390 305.9410 6.347390 0.000000       0.000000 
1 1 1 5  0  -15 o 60.83448 6.915875 78.72000       16.65316 78.72000       16.65316 78.72000       16.65316 60.83448 6.915875 60.83448 6.915875 0.000000       0.000000 
1 1 1 5  0  -14 o 221.6371 5.312388 1008.000       48.14959 1008.000       48.14959 1008.000       48.14959 221.6371 5.312388 221.6371 5.312388 0.000000       0.000000 
1 1 1 5  0  -13 o 217.5569 5.271595 971.3000       46.89894 971.3000       46.89894 971.3000       46.89894 217.5569 5.271595 217.5569 5.271595 0.000000       0.000000 
1 1 1 5  0  -12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  0  -11 o 225.4527 5.330358 1043.000       49.14592 1043.000       49.14592 1043.000       49.14592 225.4527 5.330358 225.4527 5.330358 0.000000       0.000000 
1 1 1 5  0  -10 o 283.0848 5.969090 1644.000       69.12149 1644.000       69.12149 1644.000       69.12149 283.0848 5.969090 283.0848 5.969090 0.000000       0.000000 
1 1 1 5  0  -9  o 204.1367 5.043429 855.1000       42.09902 855.1000       42.09902 855.1000       42.09902 204.1367 5.043429 204.1367 5.043429 0.000000       0.000000 
1 1 1 5  0  -8  o 102.7174 4.634971 217.4000       19.40400 217.4000       19.40400 217.4000       19.40400 102.7174 4.634971 102.7174 4.634971 0.000000       0.000000 
1 1 1 5  0  -7  o 66.98156 5.340645 93.63000       14.42717 93.63000       14.42717 93.63000       14.42717 66.98156 5.340645 66.98156 5.340645 0.000000       0.000000 
1 1 1 5  0  -6  o 277.9058 5.862995 1584.000       66.65075 1584.000       66.65075 1584.000       66.65075 277.9058 5.862995 277.9058 5.862995 0.000000       0.000000 
1 1 1 5  0  -5  o 64.57627 5.164730 87.03000       13.44960 87.03000       13.44960 87.03000       13.44960 64.57627 5.164730 64.57627 5.164730 0.000000       0.000000 
1 1 1 5  0  -4  o 218.9754 5.105642 983.6000       45.72319 983.6000       45.72319 983.6000       45.72319 218.9754 5.105642 218.9754 5.105642 0.000000       0.000000 
1 1 1 5  0  -3  o 61.97314 5.084358 80.23000       12.69566 80.23000       12.69566 80.23000       12.69566 61.97314 5.084358 61.97314 5.084358 0.000000       0.000000 
1 1 1 5  0  -2  f 693.7272 12.26881 9878.000       348.2644 9878.000       348.2644 9878.000       348.2644 693.7272 12.26881 693.7272 12.26881 0.000000       0.000000 
1 1 1 5  0  -1  o 568.6052 10.22588 6633.000       237.9135 6633.000       237.9135 6633.000       237.9135 568.6052 10.22588 568.6052 10.22588 0.000000       0.000000 
1 1 1 5  0  0   o 207.1681 4.911641 880.4000       41.61235 880.4000       41.61235 880.4000       41.61235 207.1681 4.911641 207.1681 4.911641 0.000000       0.000000 
1 1 1 5  0  1   o 364.7961 7.040020 2729.000       105.0711 2729.000       105.0711 2729.000       105.0711 364.7961 7.040020 364.7961 7.040020 0.000000       0.000000 
1 1 1 5  0  2   f 862.7558 15.06727 15290.00       531.9222 15290.00       531.9222 15290.00       531.9222 862.7558 15.06727 862.7558 15.06727 0.000000       0.000000 
1 1 1 5  0  3   o 203.0993 4.877709 846.2000       40.51189 846.2000       40.51189 846.2000       40.51189 203.0993 4.877709 203.0993 4.877709 0.000000       0.000000 
1 1 1 5  0  4   o 607.8164 10.85762 7581.000       270.0343 7581.000       270.0343 7581.000       270.0343 607.8164 10.85762 607.8164 10.85762 0.000000       0.000000 
1 1 1 5  0  5   o 973.1080 16.92604 19470.00       673.9760 19470.00       673.9760 19470.00       673.9760 973.1080 16.92604 973.1080 16.92604 0.000000       0.000000 
1 1 1 5  0  6   o 667.8373 11.84104 9156.000       323.5765 9156.000       323.5765 9156.000       323.5765 667.8373 11.84104 667.8373 11.84104 0.000000       0.000000 
1 1 1 5  0  7   o 528.8530 9.600724 5739.000       207.7497 5739.000       207.7497 5739.000       207.7497 528.8530 9.600724 528.8530 9.600724 0.000000       0.000000 
1 1 1 5  0  8   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  0  9   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  0  10  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  0  11  o 60.88143 5.034588 77.47000       12.34650 77.47000       12.34650 77.47000       12.34650 60.88143 5.034588 60.88143 5.034588 0.000000       0.000000 
1 1 1 5  0  12  o 218.0182 5.005652 975.2000       44.63347 975.2000       44.63347 975.2000       44.63347 218.0182 5.005652 218.0182 5.005652 0.000000       0.000000 
1 1 1 5  0  13  o 198.6979 4.779764 810.1000       38.83792 810.1000       38.83792 810.1000       38.83792 198.6979 4.779764 198.6979 4.779764 0.000000       0.000000 
1 1 1 5  0  14  o 29.99095 6.216304 20.62696       6.735830 20.62696       6.735830 20.62696       6.735830 29.99095 6.216304 29.99095 6.216304 0.000000       0.000000 
1 1 1 5  0  15  o 16.81844 8.185090 8.526530       6.621067 8.526530       6.621067 8.526530       6.621067 16.81844 8.185090 16.81844 8.185090 0.000000       0.000000 
1 1 1 5  0  16  o 113.3062 3.023936 263.4446       14.00718 263.4446       14.00718 263.4446       14.00718 113.3062 3.023936 113.3062 3.023936 0.000000       0.000000 
1 1 1 5  0  17  o 33.02755 6.036753 24.45554       7.357951 24.45554       7.357951 24.45554       7.357951 33.02755 6.036753 33.02755 6.036753 0.000000       0.000000 
1 1 1 5  0  18  o 279.1707 4.110096 1597.063       46.96064 1597.063       46.96064 1597.063       46.96064 279.1707 4.110096 279.1707 4.110096 0.000000       0.000000 
1 1 1 5  0  19  o 158.5553 3.169108 515.4000       20.55656 515.4000       20.55656 515.4000       20.55656 158.5553 3.169108 158.5553 3.169108 0.000000       0.000000 
1 1 1 5  0  20  o 182.7440 3.309683 684.5353       24.74758 684.5353       24.74758 684.5353       24.74758 182.7440 3.309683 182.7440 3.309683 0.000000       0.000000 
1 1 1 5  0  21  o 198.9970 3.433564 811.6918       27.95918 811.6918       27.95918 811.6918       27.95918 198.9970 3.433564 198.9970 3.433564 0.000000       0.000000 
1 1 1 5  0  22  f 446.6657 8.369239 4097.000       152.9498 4097.000       152.9498 4097.000       152.9498 446.6657 8.369239 446.6657 8.369239 0.000000       0.000000 
1 1 1 5  0  23  o 66.69947 7.247540 94.42000       19.20209 94.42000       19.20209 94.42000       19.20209 66.69947 7.247540 66.69947 7.247540 0.000000       0.000000 
1 1 1 5  0  24  o 218.9431 5.434999 984.4000       48.65752 984.4000       48.65752 984.4000       48.65752 218.9431 5.434999 218.9431 5.434999 0.000000       0.000000 
1 1 1 5  0  25  o 220.8540 5.563490 1002.000       50.24049 1002.000       50.24049 1002.000       50.24049 220.8540 5.563490 220.8540 5.563490 0.000000       0.000000 
1 1 1 5  0  26  o 152.2519 5.529948 477.3000       34.37198 477.3000       34.37198 477.3000       34.37198 152.2519 5.529948 152.2519 5.529948 0.000000       0.000000 
1 1 1 5  0  27  o 101.4455 6.681052 214.1000       27.47237 214.1000       27.47237 214.1000       27.47237 101.4455 6.681052 101.4455 6.681052 0.000000       0.000000 
1 1 1 5  0  28  o 186.7933 5.671131 718.5000       43.28601 718.5000       43.28601 718.5000       43.28601 186.7933 5.671131 186.7933 5.671131 0.000000       0.000000 
1 1 1 5  0  29  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  0  30  o 41.69363 15.85220 49.47000       25.44499 49.47000       25.44499 49.47000       25.44499 41.69363 15.85220 41.69363 15.85220 0.000000       0.000000 
1 1 1 5  0  31  o 115.5031 6.580249 278.1000       30.88858 278.1000       30.88858 278.1000       30.88858 115.5031 6.580249 115.5031 6.580249 0.000000       0.000000 
1 1 1 5  0  32  o 87.16367 8.302701 162.3000       28.97730 162.3000       28.97730 162.3000       28.97730 87.16367 8.302701 87.16367 8.302701 0.000000       0.000000 
1 1 1 5  0  33  o 35.86946 16.60294 41.22000       26.91359 41.22000       26.91359 41.22000       26.91359 35.86946 16.60294 35.86946 16.60294 0.000000       0.000000 
1 1 1 5  0  34  o 25.12457 14.87950 17.53000       26.45014 17.53000       26.45014 17.53000       26.45014 25.12457 14.87950 25.12457 14.87950 0.000000       0.000000 
1 1 1 5  0  35  o 24.80175 14.57053 18.10000       25.00664 18.10000       25.00664 18.10000       25.00664 24.80175 14.57053 24.80175 14.57053 0.000000       0.000000 
1 1 1 5  0  36  o 28.79777 14.93223 28.40000       22.76557 28.40000       22.76557 28.40000       22.76557 28.79777 14.93223 28.79777 14.93223 0.000000       0.000000 
1 1 1 5  0  37  o 66.45548 8.579641 98.99000       22.27749 98.99000       22.27749 98.99000       22.27749 66.45548 8.579641 66.45548 8.579641 0.000000       0.000000 
1 1 1 5  0  38  o 26.17370 13.55327 24.03000       18.73765 24.03000       18.73765 24.03000       18.73765 26.17370 13.55327 26.17370 13.55327 0.000000       0.000000 
1 1 1 5  0  39  o 60.83469 9.036321 86.08000       21.05070 86.08000       21.05070 86.08000       21.05070 60.83469 9.036321 60.83469 9.036321 0.000000       0.000000 
1 1 1 5  0  40  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  0  41  o 17.71436 11.44035 4.610000       19.35768 4.610000       19.35768 4.610000       19.35768 17.71436 11.44035 17.71436 11.44035 0.000000       0.000000 
1 1 1 5  0  42  o 10.92873 7.913307 -32.03000      18.87223 -32.03000      18.87223 -32.03000      18.87223 10.92873 7.913307 10.92873 7.913307 0.000000       0.000000 
1 1 1 5  0  43  o 17.54617 11.44481 5.056000       20.04649 5.056000       20.04649 5.056000       20.04649 17.54617 11.44481 17.54617 11.44481 0.000000       0.000000 
1 1 1 5  1  -43 o 31.36423 10.54588 28.33662       16.00334 40.42000       22.77415 16.55000       22.49275 34.96996 12.53199 26.55955 11.43225 8.410408       16.96311 
1 1 1 5  1  -42 o 21.16027 8.343081 8.802302       10.64303 -4.088000      21.34398 13.06808       12.27843 21.60888 10.03629 23.86421 9.081622 -2.255335      13.53525 
1 1 1 5  1  -41 o 42.32662 9.354121 45.18381       15.78001 65.49000       22.38360 25.12000       22.24961 49.07291 11.36349 30.81863 12.08969 18.25428       16.59185 
1 1 1 5  1  -40 o 38.06117 9.720510 36.97385       15.20121 21.26000       21.55565 52.52000       21.44032 29.63301 11.81241 43.60321 11.74657 -13.97021      16.65878 
1 1 1 5  1  -39 o 33.08470 6.372507 24.94890       8.319862 20.83996       9.094605 46.03000       20.59994 29.66345 7.487917 40.95794 11.70098 -11.29449      13.89179 
1 1 1 5  1  -38 o 13.54535 6.107973 -2.737916      7.164477 -2.426103      9.031147 -3.267334      11.76779 15.45934 6.923489 17.37613 7.832360 -1.916792      10.45373 
1 1 1 5  1  -37 o 53.36235 3.904723 59.88377       8.472914 57.90158       11.15247 62.58977       13.03056 51.88546 5.324770 53.60632 6.041493 -1.720856      8.053124 
1 1 1 5  1  -36 o 40.71105 4.813516 35.33913       7.869131 34.96110       10.54027 35.81516       11.82797 39.77826 6.709618 39.92533 7.510564 -0.1470795     10.07112 
1 1 1 5  1  -35 o 81.66195 2.888906 137.8640       9.644792 132.2642       13.28236 144.1098       14.02773 79.59860 4.088870 83.07653 4.136689 -3.477928      5.816447 
1 1 1 5  1  -34 o 21.36843 6.790248 9.615547       6.678050 9.120771       8.869125 10.26329       10.14790 21.89860 7.823713 23.23234 8.360517 -1.333738      11.45027 
1 1 1 5  1  -33 o 27.19005 6.114648 16.10813       6.642169 18.37289       8.788837 13.09177       10.14289 28.88038 7.399368 25.19613 8.394528 3.684248       11.19012 
1 1 1 5  1  -32 o 108.5171 2.549779 241.9485       11.32987 249.0322       16.24589 235.2410       15.80878 109.8403 3.617011 106.7511 3.621853 3.089233       5.118651 
1 1 1 5  1  -31 o 130.0487 3.125267 347.7206       16.64246 331.5000       34.74644 352.5497       18.95860 125.8392 6.768161 130.8235 3.542385 -4.984291      7.639143 
1 1 1 5  1  -30 o 122.7006 4.755131 311.0954       23.84573 321.2000       36.40181 303.5000       31.55998 123.9523 7.203093 120.7400 6.406466 3.212318       9.639883 
1 1 1 5  1  -29 o 126.1960 4.699512 328.4447       24.24173 302.2000       37.04502 348.1000       32.05895 120.3410 7.555957 129.6142 6.057242 -9.273285      9.684146 
1 1 1 5  1  -28 o 244.2553 4.385921 1226.461       43.86612 1192.000       62.94555 1259.000       61.16490 240.1628 6.406533 247.0217 6.047040 -6.858902      8.809673 
1 1 1 5  1  -27 o 142.7025 4.596644 418.7955       26.82439 419.6000       41.13073 418.2000       35.38513 142.4059 7.075817 142.3623 6.084208 0.4356384E-01  9.331923 
1 1 1 5  1  -26 o 53.11361 9.455981 60.11253       19.81142 26.09000       31.29329 82.87000       25.59352 39.47336 14.60677 62.39388 10.38229 -22.92052      17.92065 
1 1 1 5  1  -25 o 377.9836 5.360561 2933.880       82.96743 2834.000       115.3340 3041.000       119.4410 370.9355 7.593370 384.2443 7.591399 -13.30875      10.73725 
1 1 1 5  1  -24 o 126.6687 4.518885 329.5040       23.40069 339.9000       36.00352 321.9000       30.79151 128.4005 6.872885 125.0464 6.031395 3.354065       9.144084 
1 1 1 5  1  -23 o 138.5538 4.204341 393.9167       23.82528 403.9000       36.49275 386.5000       31.45401 140.0985 6.378073 137.1211 5.613927 2.977417       8.496822 
1 1 1 5  1  -22 o 192.0741 3.966156 756.0718       31.19342 713.5000       44.75208 796.3000       43.50275 186.3863 5.871063 196.9608 5.399113 -10.57449      7.976202 
1 1 1 5  1  -21 o 626.6257 7.967562 8065.450       204.4363 8075.000       289.8864 8056.000       288.3530 625.9622 11.30981 625.2423 11.26294 0.7199097      15.96138 
1 1 1 5  1  -20 o 459.1608 6.105551 4323.164       114.7927 4268.000       161.1430 4380.000       163.5668 455.8670 8.632743 461.8068 8.649889 -5.939789      12.22067 
1 1 1 5  1  -19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  1  -18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  1  -17 o 493.3976 9.141159 4996.000       184.6812 0.000000       0.000000 4996.000       184.6812 ?        ?        493.3976 9.141159 ?              ?        
1 1 1 5  1  -16 o 304.3433 4.489201 1897.486       55.94447 1938.000       80.69971 1860.000       77.62472 307.4810 6.409577 301.2362 6.293155 6.244751       8.982565 
1 1 1 5  1  -15 o 437.5449 8.226318 3928.000       147.3848 0.000000       0.000000 3928.000       147.3848 ?        ?        437.5449 8.226318 ?              ?        
1 1 1 5  1  -14 o 250.9718 5.621754 1291.000       57.77249 0.000000       0.000000 1291.000       57.77249 ?        ?        250.9718 5.621754 ?              ?        
1 1 1 5  1  -13 o 209.2799 3.676972 897.1716       31.50955 870.9000       44.24816 924.2000       44.88106 206.0708 5.248170 212.3553 5.161497 -6.284500      7.361001 
1 1 1 5  1  -12 o 290.6941 4.326063 1731.426       51.49361 1738.000       73.24232 1725.000       72.41074 291.1306 6.143981 290.0432 6.096996 1.087402       8.655742 
1 1 1 5  1  -11 o 72.42006 4.052170 107.7870       11.96838 112.9000       17.61225 103.4000       16.31391 73.97477 5.862327 70.79206 5.675445 3.182709       8.159508 
1 1 1 5  1  -10 o 114.2455 3.383075 267.5831       15.80871 260.8000       22.58405 274.1000       22.13646 112.7017 4.905558 115.5590 4.687945 -2.857262      6.785376 
1 1 1 5  1  -9  o 211.3512 3.632803 915.0125       31.43916 944.2000       45.43565 888.2000       43.54777 214.6391 5.169679 208.1793 5.108625 6.459808       7.267987 
1 1 1 5  1  -8  o 243.1581 3.864068 1211.167       38.47317 1175.000       53.46720 1250.000       55.40298 239.4367 5.453463 246.9588 5.478783 -7.522156      7.730286 
1 1 1 5  1  -7  o 477.1683 6.219292 4667.401       121.5170 4651.000       171.3392 4684.000       172.3673 476.0356 8.790080 477.7185 8.811676 -1.682892      12.44633 
1 1 1 5  1  -6  o 378.7968 5.157919 2939.987       80.00280 2889.000       111.5450 2994.000       114.8077 375.3545 7.257447 382.1082 7.337703 -6.753662      10.32049 
1 1 1 5  1  -5  o 198.0967 3.484001 803.6976       28.26051 764.6000       38.98414 847.0000       41.02685 193.1233 4.933835 203.3298 4.927684 -10.20647      6.973148 
1 1 1 5  1  -4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  1  -3  o 353.3444 4.880508 2557.676       70.61349 2669.000       103.2919 2460.000       96.75359 360.8410 6.990785 346.4349 6.820576 14.40607       9.766849 
1 1 1 5  1  -2  o 250.0897 3.882584 1280.981       39.75952 1284.000       56.40409 1278.000       56.05445 250.3387 5.502477 249.7538 5.481174 0.5849152      7.766629 
1 1 1 5  1  -1  o 474.3964 6.171689 4611.752       119.8864 4637.000       170.3916 4587.000       168.7108 475.4782 8.751715 472.9115 8.712415 2.566681       12.34904 
1 1 1 5  1  0   o 347.6836 4.809850 2476.268       68.47629 2442.000       95.84315 2512.000       97.86881 345.1774 6.781009 350.0871 6.827218 -4.909729      9.622525 
1 1 1 5  1  1   o 687.7295 8.601983 9700.290       242.2371 10000.00       352.4619 9432.000       333.4760 697.6328 12.33846 677.5921 12.01910 20.04071       17.22487 
1 1 1 5  1  2   o 573.1442 7.278216 6733.992       170.8100 6739.000       241.7523 6729.000       241.3718 572.9930 10.30379 572.5689 10.29519 0.4240723      14.56568 
1 1 1 5  1  3   o 1323.738 16.17417 36106.74       876.6946 35730.00       1226.738 36500.00       1253.357 1312.655 22.82322 1326.538 23.07442 -13.88281      32.45502 
1 1 1 5  1  4   o 357.2869 4.905225 2615.154       71.76298 2729.000       104.8995 2515.000       98.38935 364.8628 7.021334 350.2751 6.859847 14.58768       9.816142 
1 1 1 5  1  5   o 508.8166 6.548866 5306.693       136.4432 5277.000       191.9796 5337.000       193.9552 507.0974 9.245687 509.9667 9.288279 -2.869293      13.10553 
1 1 1 5  1  6   o 142.9445 3.137195 418.4607       18.36257 445.1000       26.68449 394.5000       25.30738 147.3368 4.428090 138.6997 4.461827 8.637100       6.286166 
1 1 1 5  1  7   o 130.7630 4.434136 350.7000       23.70772 350.7000       23.70772 0.000000       0.000000 130.7630 4.434136 ?        ?        ?              ?        
1 1 1 5  1  8   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  1  9   o 573.9759 7.287189 6758.953       171.2687 6770.000       242.7355 6748.000       241.6890 573.8468 10.33030 572.9201 10.30240 0.9266968      14.58954 
1 1 1 5  1  10  o 361.7216 4.948415 2681.538       73.29343 2531.000       99.01504 2864.000       109.0094 351.2552 6.884209 373.6223 7.125356 -22.36713      9.907726 
1 1 1 5  1  11  o 360.8684 4.931023 2668.924       72.86356 2763.000       106.1152 2585.000       100.2261 366.9765 7.061791 354.9762 6.895364 12.00031       9.869901 
1 1 1 5  1  12  o 307.0163 3.582732 1930.850       45.04019 1945.368       55.55246 1903.000       76.94350 308.1265 4.403012 304.6349 6.168334 3.491608       7.578579 
1 1 1 5  1  13  o 514.0637 6.613401 5419.501       139.2086 5419.501       139.2086 0.000000       0.000000 514.0637 6.613401 ?        ?        ?              ?        
1 1 1 5  1  14  o 220.0944 3.615894 992.2291       32.58735 992.2291       32.58735 0.000000       0.000000 220.0944 3.615894 ?        ?        ?              ?        
1 1 1 5  1  15  o 233.8969 2.637157 1120.312       25.25717 1098.389       28.95872 1190.000       51.63084 231.5883 3.053784 240.9837 5.232354 -9.395386      6.058310 
1 1 1 5  1  16  o 529.4424 5.536974 5744.103       120.0371 5755.888       147.5103 5721.000       206.5299 529.8645 6.798815 527.9080 9.554334 1.956543       11.72643 
1 1 1 5  1  17  o 153.2576 2.611934 480.9757       16.39113 463.8073       20.28219 513.3000       27.83008 150.4889 3.291440 158.2392 4.299109 -7.750290      5.414418 
1 1 1 5  1  18  o 388.9068 4.275227 3098.323       68.08150 3183.514       85.52995 2951.000       112.4753 394.1585 5.299354 379.3513 7.240879 14.80716       8.972930 
1 1 1 5  1  19  o 252.2666 3.206065 1303.371       33.11742 1265.432       39.78315 1389.000       59.76769 248.5465 3.909013 260.3266 5.606910 -11.78006      6.835044 
1 1 1 5  1  20  o 448.1054 4.813883 4115.060       88.32834 4072.438       107.2336 4205.000       155.7750 445.6729 5.876112 452.5263 8.406778 -6.853455      10.25683 
1 1 1 5  1  21  o 190.2468 2.846614 741.3278       22.17534 771.7925       27.64930 686.4000       37.12628 194.0965 3.478900 182.9184 4.961362 11.17816       6.059527 
1 1 1 5  1  22  o 131.5735 2.758670 354.6007       14.86252 349.5233       18.16021 364.9000       25.86435 130.5677 3.399621 133.3238 4.745288 -2.756119      5.837395 
1 1 1 5  1  23  o 406.3829 4.465133 3386.213       74.30093 3349.976       90.14351 3463.000       131.2218 404.0552 5.448405 410.3343 7.809871 -6.279114      9.522563 
1 1 1 5  1  24  o 211.2449 3.024919 914.3570       26.16522 923.4271       32.04081 896.2000       45.33337 212.2486 3.686669 208.8961 5.304135 3.352509       6.459518 
1 1 1 5  1  25  o 254.0038 3.288726 1322.407       34.20521 1312.663       41.51694 1343.000       60.35259 252.9969 4.007613 255.6749 5.764789 -2.677963      7.020951 
1 1 1 5  1  26  o 202.9406 3.912898 844.8510       32.51561 856.7000       48.12676 834.9000       44.10413 204.0455 5.765952 201.5009 5.350104 2.544510       7.865736 
1 1 1 5  1  27  o 75.21199 5.695472 117.0861       17.41010 103.1000       28.00164 125.9000       22.22905 69.69808 10.10602 77.79047 7.055280 -8.092384      12.32512 
1 1 1 5  1  28  o 66.80297 6.586500 93.07489       17.78255 149.4000       30.85435 65.06000       21.76005 84.22549 9.090226 54.97987 10.03533 29.24562       13.54031 
1 1 1 5  1  29  o 84.64681 7.229622 149.8000       24.81860 0.000000       0.000000 149.8000       24.81860 ?        ?        84.64681 7.229622 ?              ?        
1 1 1 5  1  30  o 106.2132 6.290325 234.9000       27.23496 0.000000       0.000000 234.9000       27.23496 ?        ?        106.2132 6.290325 ?              ?        
1 1 1 5  1  31  o 36.89767 12.18069 28.88000       21.36852 0.000000       0.000000 28.88000       21.36852 ?        ?        36.89767 12.18069 ?              ?        
1 1 1 5  1  32  o 76.41462 7.609998 124.4000       23.49522 0.000000       0.000000 124.4000       23.49522 ?        ?        76.41462 7.609998 ?              ?        
1 1 1 5  1  33  o 73.61444 6.139456 114.5237       18.33786 119.1000       30.37771 111.9000       23.00167 73.02602 10.45715 72.02238 7.930623 1.003632       13.12428 
1 1 1 5  1  34  o 26.41154 10.47980 10.31740       16.89084 -29.43000      26.91244 36.15000       21.69615 22.15362 10.58109 39.24859 12.20731 -17.09497      16.15482 
1 1 1 5  1  35  o 79.65547 5.913520 135.1992       19.15037 83.86000       29.40783 173.0000       25.23417 58.61399 12.62606 89.51812 6.938331 -30.90413      14.40687 
1 1 1 5  1  36  o 34.63301 10.15121 28.49012       15.32257 30.52000       22.25285 26.66000       21.12953 35.64233 12.42246 33.86480 12.07840 1.777534       17.32643 
1 1 1 5  1  37  o 27.93418 10.04028 17.12903       14.63016 5.751000       20.83315 28.20000       20.55010 25.63247 11.01742 33.98795 11.93120 -8.355488      16.23998 
1 1 1 5  1  38  o 72.95192 5.534992 115.4553       16.41062 119.3000       23.34571 111.7000       23.07294 71.98650 8.058235 69.43161 8.278492 2.554886       11.55286 
1 1 1 5  1  39  o 21.62405 9.836661 -2.822000      19.07662 0.000000       0.000000 -2.822000      19.07662 ?        ?        21.62405 9.836661 ?              ?        
1 1 1 5  1  40  o 26.68624 11.10738 13.64000       20.07640 0.000000       0.000000 13.64000       20.07640 ?        ?        26.68624 11.10738 ?              ?        
1 1 1 5  1  41  o 18.77411 8.513747 -2.835732      14.15436 -0.3705000     20.34791 -5.147000      19.70226 22.54293 10.21689 21.13485 9.755153 1.408081       14.12614 
1 1 1 5  1  42  o 27.64175 10.07892 19.92892       14.81134 26.36000       21.19415 13.79000       20.70713 30.37152 11.83282 25.97621 11.07008 4.395311       16.20378 
1 1 1 5  1  43  o 23.90810 9.676686 12.79583       14.70107 17.68000       21.06007 8.154000       20.53094 26.71770 11.26494 23.82464 10.56871 2.893057       15.44657 
1 1 1 5  2  -42 o 24.72658 9.053591 15.02924       11.96966 18.49000       22.86212 13.72237       14.04906 27.47216 11.66697 24.36592 9.592137 3.106232       15.10389 
1 1 1 5  2  -41 o 67.04958 4.851347 97.80772       13.22927 89.03000       25.21643 101.1411       15.53951 57.42591 11.12576 67.46669 5.677646 -10.04078      12.49072 
1 1 1 5  2  -40 o 25.52295 8.898068 15.34506       11.41771 5.461000       21.75943 19.10051       13.41253 24.71458 10.92600 27.86050 9.648060 -3.145920      14.57609 
1 1 1 5  2  -39 o 48.73684 5.953523 52.94465       11.63473 51.70000       22.22546 53.41449       13.65524 42.87782 12.12219 48.13433 7.144668 -5.256512      14.07103 
1 1 1 5  2  -38 o 18.36178 6.719827 6.520498       6.592867 9.655922       7.776266 -1.494130      12.43268 21.19935 7.346066 18.36006 8.179685 2.839296       10.99418 
1 1 1 5  2  -37 o 99.24115 2.260798 203.2687       9.187090 199.3693       11.05942 211.9508       16.50229 98.05623 2.757173 100.3974 4.022328 -2.341133      4.876590 
1 1 1 5  2  -36 o 63.94605 2.642689 84.62547       6.904738 80.59662       8.135421 95.00260       13.05654 62.24593 3.202633 66.96159 4.793583 -4.715652      5.765007 
1 1 1 5  2  -35 o 16.08402 5.806973 4.703022       4.900413 3.497603       5.528794 9.120031       10.58341 15.60343 6.053543 22.53648 8.463818 -6.933045      10.40584 
1 1 1 5  2  -34 o 31.23377 5.076822 20.93292       6.270164 22.45597       7.827445 18.20544       10.47472 32.06155 6.186390 28.56854 8.398400 3.493015       10.43094 
1 1 1 5  2  -33 o 23.27359 8.043783 10.77831       9.321013 39.84000       26.70918 6.748113       9.946344 41.28267 13.61761 21.08868 8.136219 20.19399       15.86308 
1 1 1 5  2  -32 o 42.99803 5.810196 39.28631       9.968184 17.72000       28.86267 42.20707       10.62176 34.17557 13.65350 44.54925 5.973177 -10.37368      14.90292 
1 1 1 5  2  -31 f 173.3613 4.180339 620.5542       29.67482 593.5000       46.16777 639.6000       38.73658 168.2982 6.712852 175.4285 5.399007 -7.130310      8.614619 
1 1 1 5  2  -30 o 62.60239 7.248705 82.90192       18.23833 77.10000       33.52929 85.34000       21.73516 58.03960 14.22162 63.11697 8.636178 -5.077377      16.63845 
1 1 1 5  2  -29 o 17.44855 8.328949 -21.56706      16.62366 -30.29000      32.20990 -18.40000      19.40824 25.71569 12.06935 20.12490 9.420771 5.590788       15.31078 
1 1 1 5  2  -28 o 173.5203 4.270243 619.1984       30.34081 637.4000       49.16122 608.0000       38.56082 175.3074 6.861792 171.6083 5.494697 3.699158       8.790669 
1 1 1 5  2  -27 o 116.1191 4.904933 277.8133       23.26924 339.4000       41.46355 249.5000       28.11374 127.7431 7.966575 109.8046 6.278965 17.93858       10.14356 
1 1 1 5  2  -26 o 179.3664 4.271678 660.4638       31.37358 677.7000       50.17710 649.4000       40.20095 181.1983 6.774736 177.6105 5.534440 3.587845       8.747975 
1 1 1 5  2  -25 o 338.9253 5.055878 2358.899       70.16571 2284.000       99.49638 2433.000       98.96435 332.9595 7.297792 343.7253 7.031416 -10.76584      10.13403 
1 1 1 5  2  -24 o 165.3680 4.256298 561.2516       28.79696 494.5000       43.34372 614.0000       38.53006 154.9055 6.850312 172.8377 5.451049 -17.93221      8.754468 
1 1 1 5  2  -23 o 363.3561 7.270574 2715.000       108.1747 0.000000       0.000000 2715.000       108.1747 ?        ?        363.3561 7.270574 ?              ?        
1 1 1 5  2  -22 o 218.6272 4.164653 979.8229       37.28270 1027.000       57.49910 945.6000       48.97269 223.5618 6.287392 214.5965 5.577960 8.965363       8.405054 
1 1 1 5  2  -21 o 323.0306 4.824538 2139.395       63.81516 2022.000       88.59174 2266.000       92.00132 313.8137 6.894407 332.2268 6.762931 -18.41312      9.657643 
1 1 1 5  2  -20 o 560.4589 7.231471 6447.473       165.9567 6479.000       236.7198 6417.000       232.7276 561.0919 10.30329 558.4357 10.17772 2.656250       14.48253 
1 1 1 5  2  -19 o 402.0850 7.747437 3318.000       127.5558 0.000000       0.000000 3318.000       127.5558 ?        ?        402.0850 7.747437 ?              ?        
1 1 1 5  2  -18 o 528.0079 9.664836 5726.000       208.9581 0.000000       0.000000 5726.000       208.9581 ?        ?        528.0079 9.664836 ?              ?        
1 1 1 5  2  -17 o 288.5004 6.142580 1706.000       72.56406 0.000000       0.000000 1706.000       72.56406 ?        ?        288.5004 6.142580 ?              ?        
1 1 1 5  2  -16 f 490.4500 6.417559 4930.520       128.8810 4918.000       182.4062 4943.000       182.1247 489.5374 9.099747 490.7848 9.062613 -1.247345      12.84275 
1 1 1 5  2  -15 o 642.2175 8.132028 8460.557       213.8481 9021.000       320.7321 8012.000       286.9359 662.4343 11.82429 624.4158 11.22242 38.01855       16.30205 
1 1 1 5  2  -14 o 134.2881 5.283128 370.1000       28.99377 370.1000       28.99377 0.000000       0.000000 134.2881 5.283128 ?        ?        ?              ?        
1 1 1 5  2  -13 o 333.8120 6.791597 2285.000       92.83211 2285.000       92.83211 0.000000       0.000000 333.8120 6.791597 ?        ?        ?              ?        
1 1 1 5  2  -12 o 277.9610 6.009606 1584.000       68.39971 1584.000       68.39971 0.000000       0.000000 277.9610 6.009606 ?        ?        ?              ?        
1 1 1 5  2  -11 o 261.0829 4.066483 1396.502       43.47322 1391.000       61.49313 1402.000       61.46770 260.4802 5.765374 261.5097 5.740303 -1.029449      8.135761 
1 1 1 5  2  -10 o 262.3315 4.066730 1409.923       43.68378 1469.000       63.54892 1357.000       60.14769 267.6756 5.797956 257.2747 5.709492 10.40094       8.137235 
1 1 1 5  2  -9  o 162.1056 3.414304 538.2760       22.66338 579.7000       33.29182 502.5000       30.93908 168.1162 4.841235 156.5128 4.833415 11.60344       6.841012 
1 1 1 5  2  -8  o 350.3661 4.885389 2515.718       70.08832 2536.000       99.82574 2496.000       98.42872 351.6017 6.933733 348.8220 6.891180 2.779724       9.775736 
1 1 1 5  2  -7  o 124.3484 3.338288 316.9391       16.98225 305.5000       24.00506 328.4000       24.02802 122.0044 4.814559 126.5114 4.646245 -4.507072      6.690856 
1 1 1 5  2  -6  o 337.4156 4.745998 2332.850       65.57182 2317.000       92.29987 2349.000       93.17139 336.1280 6.706130 338.4397 6.723212 -2.311737      9.495986 
1 1 1 5  2  -5  o 222.8034 3.695242 1016.810       33.71236 1005.000       47.30264 1029.000       48.05933 221.4547 5.216461 224.0825 5.237757 -2.627792      7.392263 
1 1 1 5  2  -4  o 497.3494 6.451236 5070.985       131.3799 5332.000       194.0308 4850.000       178.5336 509.6256 9.298120 486.0919 8.969685 23.53375       12.91938 
1 1 1 5  2  -3  o 317.9862 4.539546 2071.489       59.10785 2068.000       83.45959 2075.000       83.72327 317.6192 6.417194 318.1557 6.426612 -0.5364990     9.081944 
1 1 1 5  2  -2  o 198.4007 3.496702 806.1889       28.40706 790.0000       39.74243 823.1000       40.61921 196.3011 4.948273 200.4348 4.949189 -4.133652      6.998562 
1 1 1 5  2  -1  o 120.2873 3.157973 296.5224       15.54092 310.2000       22.20943 283.4000       21.75401 122.9765 4.417707 117.5312 4.528718 5.445381       6.326565 
1 1 1 5  2  0   o 206.0697 3.526550 869.7155       29.75697 876.7000       42.34307 862.9000       41.82710 206.8584 4.999018 205.2246 4.977417 1.633881       7.054421 
1 1 1 5  2  1   o 250.2288 3.879416 1282.499       39.74917 1283.000       56.26382 1282.000       56.16395 250.2233 5.491324 250.1260 5.483708 0.9722900E-01  7.760522 
1 1 1 5  2  2   o 489.2469 5.179112 4904.473       103.7547 4980.546       128.8213 4764.000       175.0513 492.9261 6.382362 481.8230 8.872654 11.10315       10.92971 
1 1 1 5  2  3   o 611.8285 6.306675 7673.227       157.9991 7757.117       195.4463 7515.000       268.4176 614.9731 7.761525 604.7752 10.83908 10.19788       13.33143 
1 1 1 5  2  4   o 250.1256 3.871679 1281.498       39.65353 1277.000       56.06610 1286.000       56.09104 249.6263 5.485112 250.5052 5.468300 -0.8788605     7.745242 
1 1 1 5  2  5   o 332.9389 3.804412 2270.582       51.86525 2294.038       64.07284 2226.000       88.33288 334.6121 4.676359 329.4952 6.547099 5.116943       8.045672 
1 1 1 5  2  6   o 575.7339 5.973342 6795.340       140.8198 6842.938       173.6771 6704.000       240.5925 577.5520 7.343904 571.1115 10.28814 6.440552       12.64036 
1 1 1 5  2  7   o 363.9778 4.067130 2714.091       60.61601 2677.444       73.50220 2792.000       107.1721 361.4550 4.966171 368.9221 7.094513 -7.467072      8.659964 
1 1 1 5  2  8   o 222.2065 2.965375 1011.263       26.98117 1014.474       33.18635 1005.000       46.34062 222.5387 3.641912 221.4390 5.110735 1.099762       6.275599 
1 1 1 5  2  9   o 405.8543 4.427471 3375.167       73.57839 3386.496       90.44662 3353.000       126.5181 406.4494 5.434523 404.1873 7.644442 2.262177       9.379314 
1 1 1 5  2  10  o 170.5086 2.667250 595.4100       18.62235 594.4747       22.97839 597.2000       31.78759 170.3613 3.294004 170.6556 4.553033 -0.2942810     5.619659 
1 1 1 5  2  11  o 587.1357 6.076819 7068.371       146.0963 7003.708       177.5395 7204.000       257.1241 584.2300 7.421415 591.8391 10.60998 -7.609131      12.94794 
1 1 1 5  2  12  o 196.0316 3.404089 787.1130       27.32445 792.7000       39.13752 781.8000       38.16602 196.6814 4.859657 195.3276 4.771872 1.353790       6.810802 
1 1 1 5  2  13  o 202.0589 2.843723 836.1247       23.52825 813.3234       28.64568 883.4000       41.24735 199.2702 3.510689 207.6376 4.851385 -8.367325      5.988395 
1 1 1 5  2  14  o 169.7677 3.282453 590.2710       22.81802 619.7000       34.05692 566.3000       30.73697 173.8493 4.788745 166.1983 4.520782 7.651031       6.585557 
1 1 1 5  2  15  o 440.7940 5.806950 3981.937       104.8113 4042.000       150.9341 3926.000       145.6579 443.8772 8.304242 437.4797 8.131144 6.397522       11.62222 
1 1 1 5  2  16  f 144.1063 3.185246 425.2908       18.79535 464.3000       28.98912 397.0000       24.68737 150.4710 4.710784 139.1461 4.338205 11.32483       6.404023 
1 1 1 5  2  17  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  2  18  o 151.0763 3.369035 467.4707       20.84137 467.4707       20.84137 0.000000       0.000000 151.0763 3.369035 ?        ?        ?              ?        
1 1 1 5  2  19  o 472.7590 6.186113 4582.912       119.7518 4582.912       119.7518 0.000000       0.000000 472.7590 6.186113 ?        ?        ?              ?        
1 1 1 5  2  20  o 278.7913 5.891790 1594.000       67.25906 1594.000       67.25906 0.000000       0.000000 278.7913 5.891790 ?        ?        ?              ?        
1 1 1 5  2  21  o 296.7470 6.155184 1807.000       74.79142 1807.000       74.79142 0.000000       0.000000 296.7470 6.155184 ?        ?        ?              ?        
1 1 1 5  2  22  o 122.3783 5.032201 307.7000       25.16282 307.7000       25.16282 0.000000       0.000000 122.3783 5.032201 ?        ?        ?              ?        
1 1 1 5  2  23  o 75.27094 4.681022 116.6561       14.35614 116.6561       14.35614 0.000000       0.000000 75.27094 4.681022 ?        ?        ?              ?        
1 1 1 5  2  24  o 405.6689 4.508905 3376.034       74.89748 3456.748       93.91496 3235.000       124.1433 410.2693 5.590379 396.3618 7.649045 13.90756       9.474188 
1 1 1 5  2  25  o 106.6955 4.282020 233.9472       18.66964 274.4000       32.65296 214.3000       22.75617 115.2358 6.952409 101.9843 5.469313 13.25152       8.845868 
1 1 1 5  2  26  o 191.0911 3.127154 748.6934       24.46888 749.0433       30.84901 748.1000       40.17981 191.0542 3.943304 190.7107 5.149986 0.3435211      6.486293 
1 1 1 5  2  27  o 93.88289 3.476440 181.1165       13.34120 190.3645       16.64476 164.5000       22.31116 96.16943 4.237245 89.10796 6.152559 7.061470       7.470490 
1 1 1 5  2  28  o 120.0349 3.079240 295.8692       15.12226 313.6143       18.60297 261.3000       25.96494 123.5066 3.682588 112.3934 5.660076 11.11321       6.752623 
1 1 1 5  2  29  o 80.48397 3.185037 133.2447       10.47587 136.1559       12.09454 124.5000       20.96188 81.30177 3.642243 77.16734 6.700296 4.134430       7.626264 
1 1 1 5  2  30  o 35.49489 10.88476 27.20000       17.32179 0.000000       0.000000 27.20000       17.32179 ?        ?        35.49489 10.88476 ?              ?        
1 1 1 5  2  31  f 162.9718 4.147489 548.6756       27.65470 537.2000       45.49639 555.4000       34.82711 159.9652 6.962548 163.5486 5.207150 -3.583359      8.694337 
1 1 1 5  2  32  o 21.86098 9.378589 0.5216551      15.04282 2.144000       30.46143 -0.1589000E-02 17.29939 30.51017 13.21883 23.14997 9.995719 7.360201       16.57262 
1 1 1 5  2  33  o 19.06157 8.687269 -7.776535      14.96721 -65.54000      29.60321 12.06000       17.34783 19.37001 9.625910 27.46321 10.70378 -8.093191      14.39546 
1 1 1 5  2  34  o 75.57888 5.846989 121.2912       17.95432 116.9000       30.58525 123.6000       22.17765 71.25864 10.82195 75.58405 7.254710 -4.325417      13.02864 
1 1 1 5  2  35  o 27.61641 10.31868 14.99004       15.68864 32.79000       27.10167 6.019000       19.24013 37.27633 13.62723 25.51678 10.76336 11.75955       17.36524 
1 1 1 5  2  36  o 32.25754 12.38566 22.46000       22.97150 22.46000       22.97150 0.000000       0.000000 32.25754 12.38566 ?        ?        ?              ?        
1 1 1 5  2  37  o 31.66716 12.05700 23.14000       21.64855 23.14000       21.64855 0.000000       0.000000 31.66716 12.05700 ?        ?        ?              ?        
1 1 1 5  2  38  o 29.53157 11.81143 19.44000       21.62454 19.44000       21.62454 0.000000       0.000000 29.53157 11.81143 ?        ?        ?              ?        
1 1 1 5  2  39  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  2  40  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  2  41  o 20.32630 9.641142 -12.72000      21.57000 -12.72000      21.57000 0.000000       0.000000 20.32630 9.641142 ?        ?        ?              ?        
1 1 1 5  2  42  o 27.06037 11.55394 17.20000       22.63261 17.20000       22.63261 0.000000       0.000000 27.06037 11.55394 ?        ?        ?              ?        
1 1 1 5  3  -42 o 42.40080 9.709010 48.34327       16.49277 34.37000       25.76797 58.04000       21.46564 32.15504 12.88233 43.99146 11.71031 -11.83643      17.40936 
1 1 1 5  3  -41 o 16.37700 8.040347 -26.85000      18.55569 0.000000       0.000000 -26.85000      18.55569 ?        ?        16.37700 8.040347 ?              ?        
1 1 1 5  3  -40 o 75.83518 7.426764 133.4000       22.76653 0.000000       0.000000 133.4000       22.76653 ?        ?        75.83518 7.426764 ?              ?        
1 1 1 5  3  -39 o 21.06757 9.635019 -3.806000      18.61997 0.000000       0.000000 -3.806000      18.61997 ?        ?        21.06757 9.635019 ?              ?        
1 1 1 5  3  -38 o 37.90457 4.744152 31.19852       7.202516 32.44726       8.466276 27.92707       13.70335 38.27320 5.565166 33.25835 9.556792 5.014858       11.05908 
1 1 1 5  3  -37 o 55.96694 2.907112 65.25718       6.639365 70.09320       7.697538 51.20547       13.12117 57.88156 3.260973 47.65834 6.926326 10.22322       7.655582 
1 1 1 5  3  -36 o 55.67706 3.690351 64.98412       8.365858 69.45734       11.00475 58.85952       12.87681 57.14312 4.745977 51.89803 6.180750 5.245094       7.792687 
1 1 1 5  3  -35 o 18.65410 6.943376 6.136489       7.090250 12.40825       9.153046 -3.273349      11.21146 24.00713 7.973734 17.24024 7.718098 6.766884       11.09727 
1 1 1 5  3  -34 o 104.3561 2.667973 224.7425       11.39114 227.5334       16.37114 222.1232       15.86003 104.5651 3.830031 103.3456 3.754134 1.219452       5.363083 
1 1 1 5  3  -33 o 92.74431 2.758340 177.4110       10.46349 163.2679       14.86863 191.2870       14.72760 88.56694 4.111132 96.00837 3.753497 -7.441429      5.566879 
1 1 1 5  3  -32 o 71.32961 3.701143 105.4429       10.77314 109.9793       12.87677 94.86000       19.66753 72.68753 4.346206 66.46347 7.349365 6.224060       8.538306 
1 1 1 5  3  -31 o 102.3656 3.220437 215.9913       13.48195 219.9298       16.31160 207.5000       23.95087 103.1424 3.869061 99.54260 5.902584 3.599792       7.057630 
1 1 1 5  3  -30 o 116.8137 3.148307 280.8227       15.04524 283.7352       18.27661 274.7000       26.49941 117.2777 3.810946 114.8745 5.650971 2.403206       6.815921 
1 1 1 5  3  -29 o 51.91264 9.842339 58.81000       20.15622 0.000000       0.000000 58.81000       20.15622 ?        ?        51.91264 9.842339 ?              ?        
1 1 1 5  3  -28 o 118.8496 5.818361 292.7000       28.22936 0.000000       0.000000 292.7000       28.22936 ?        ?        118.8496 5.818361 ?              ?        
1 1 1 5  3  -27 o 92.12309 5.802330 175.7731       21.77628 165.1000       42.80490 179.5000       25.29407 87.53742 12.27914 92.92400 6.692452 -5.386574      13.98450 
1 1 1 5  3  -26 o 145.2956 3.244465 433.0234       19.30279 433.6852       23.64168 431.7000       33.43146 145.2844 3.977807 144.6901 5.653649 0.5943298      6.912792 
1 1 1 5  3  -25 o 130.8839 4.913156 352.4064       26.28449 334.5000       48.16645 360.0000       31.36649 126.7123 9.349121 132.1639 5.810205 -5.451607      11.00748 
1 1 1 5  3  -24 o 73.52322 4.122413 111.2329       12.36111 107.8766       14.38635 120.7000       24.16177 72.32693 4.886331 76.11876 7.865125 -3.791824      9.259397 
1 1 1 5  3  -23 o 143.4627 3.480995 421.8668       20.44875 402.5000       25.88771 454.0000       33.34580 140.0028 4.521708 148.5979 5.489734 -8.595062      7.112175 
1 1 1 5  3  -22 o 407.7493 4.556270 3409.738       76.07240 3452.449       94.26968 3330.000       128.8056 410.1143 5.613616 402.2876 7.819406 7.826721       9.625788 
1 1 1 5  3  -21 o 202.5761 3.135098 840.7665       26.00541 829.5680       31.65831 864.0000       45.59995 201.1871 3.842937 205.1406 5.433390 -3.953506      6.655065 
1 1 1 5  3  -20 o 392.1601 4.400404 3152.292       70.66109 3179.557       87.15667 3100.000       120.7033 393.7358 5.405941 388.4482 7.588600 5.287567       9.317245 
1 1 1 5  3  -19 o 105.2234 4.322171 227.2729       18.58289 217.8000       29.65163 233.4000       23.84700 102.7718 7.089567 106.5518 5.484186 -3.780022      8.963161 
1 1 1 5  3  -18 o 830.6613 10.33173 14188.81       351.4158 14600.00       511.0561 13820.00       484.0009 840.6561 14.84656 818.0866 14.44849 22.56946       20.71664 
1 1 1 5  3  -17 o 263.8450 4.210304 1426.127       45.48695 1471.000       66.64815 1387.000       62.23490 267.8750 6.076191 260.1267 5.842848 7.748322       8.429648 
1 1 1 5  3  -16 o 166.0329 3.644255 564.6259       24.77578 590.6000       37.09127 543.7000       33.29228 169.6850 5.344977 162.8212 4.999459 6.863815       7.318700 
1 1 1 5  3  -15 o 556.5517 7.149679 6351.026       162.9358 6449.000       234.1190 6259.000       226.9023 560.4016 10.20265 552.1112 10.03663 8.290344       14.31181 
1 1 1 5  3  -14 o 554.7325 7.139119 6309.553       162.1633 6041.000       220.9694 6623.000       238.7257 542.4244 9.948750 567.9005 10.26603 -25.47607      14.29577 
1 1 1 5  3  -13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  3  -12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  3  -11 o 352.0729 4.877605 2539.951       70.31754 2567.000       99.53365 2513.000       99.35461 353.7961 6.870567 350.0497 6.931605 3.746307       9.759706 
1 1 1 5  3  -10 o 242.3856 3.153493 1203.299       31.29847 1209.437       38.32102 1191.000       54.24347 242.9803 3.851603 241.0504 5.495602 1.929977       6.710923 
1 1 1 5  3  -9  o 130.2727 2.673187 347.5574       14.25960 338.4428       16.95331 369.6000       26.36445 128.5043 3.224449 134.2113 4.805147 -5.706955      5.786753 
1 1 1 5  3  -8  o 286.9078 4.240894 1686.573       49.82235 1686.573       49.82235 0.000000       0.000000 286.9078 4.240894 ?        ?        ?              ?        
1 1 1 5  3  -7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  3  -6  o 510.5446 5.391002 5343.166       112.7009 5307.815       137.0505 5417.000       198.0654 508.6991 6.579535 513.4090 9.421514 -4.709869      11.49153 
1 1 1 5  3  -5  o 207.0181 2.910638 877.7325       24.67294 882.8953       30.21472 867.4000       42.74422 207.6082 3.554264 205.7229 5.074232 1.885345       6.195210 
1 1 1 5  3  -4  f 228.4073 3.042802 1068.501       28.45825 1060.541       34.65004 1085.000       49.88391 227.5342 3.719056 230.0778 5.294945 -2.543610      6.470535 
1 1 1 5  3  -3  o 128.0444 2.597768 335.7610       13.62026 349.1321       16.78692 310.0000       23.30062 130.5612 3.140021 122.9117 4.637989 7.649490       5.600953 
1 1 1 5  3  -2  o 264.0882 3.288573 1428.475       35.56157 1430.704       43.52457 1424.000       61.67750 264.2669 4.022233 263.5636 5.715008 0.7032776      6.988539 
1 1 1 5  3  -1  o 307.7369 3.620417 1939.860       45.62077 1941.789       55.86671 1936.000       79.03754 307.8516 4.431872 307.2764 6.281737 0.5751648      7.687764 
1 1 1 5  3  0   o 457.1600 4.897368 4282.781       91.67594 4255.168       111.6258 4340.000       160.6864 455.5819 5.983756 459.7783 8.535055 -4.196411      10.42365 
1 1 1 5  3  1   o 488.3421 5.176682 4887.491       103.5142 4843.492       125.7442 4980.000       182.3292 486.0177 6.318462 492.4272 9.042528 -6.409546      11.03133 
1 1 1 5  3  2   o 190.9180 2.810426 746.4827       21.97067 743.5715       26.83630 752.4000       38.26090 190.5309 3.439797 191.5525 4.881991 -1.021606      5.972105 
1 1 1 5  3  3   o 227.3854 3.024481 1058.948       28.16034 1046.487       34.23898 1085.000       49.50685 226.0236 3.699497 230.0826 5.254812 -4.058990      6.426455 
1 1 1 5  3  4   f 110.6298 3.165230 250.8808       14.32370 231.9000       19.94420 271.1000       20.58452 106.2836 4.593594 114.9441 4.381528 -8.660507      6.348141 
1 1 1 5  3  5   o 96.40577 2.644810 190.4811       10.43065 196.4547       13.02482 179.8000       17.41653 97.88133 3.254256 93.56176 4.559832 4.319572       5.601986 
1 1 1 5  3  6   o 258.2917 3.242265 1366.500       34.29126 1325.000       58.33015 1388.417       42.39001 254.2265 5.603352 260.3255 3.976697 -6.098999      6.871075 
1 1 1 5  3  7   f 305.9648 3.601704 1917.671       45.12360 1911.003       55.26949 1931.000       78.14340 305.3902 4.419834 306.8604 6.219093 -1.470184      7.629682 
1 1 1 5  3  8   o 417.8929 4.542004 3578.476       77.72073 3586.368       95.50481 3563.000       133.7336 418.2622 5.576378 416.6339 7.839012 1.628296       9.620089 
1 1 1 5  3  9   o 265.7515 3.291413 1446.558       35.81645 1451.533       44.16423 1437.000       61.21741 266.1780 4.052043 264.7595 5.646756 1.418488       6.950173 
1 1 1 5  3  10  o 39.85434 3.719713 32.81974       6.000181 27.71488       9.043934 36.83335       8.019249 36.24166 6.324230 42.13348 4.729737 -5.891827      7.897233 
1 1 1 5  3  11  o 250.5617 2.757580 1285.703       28.29223 1326.458       41.01939 1248.723       39.07397 254.4663 3.936720 246.8999 3.864935 7.566422       5.516837 
1 1 1 5  3  12  o 49.54537 3.630528 50.54872       7.314282 51.56000       13.27433 50.10782       8.764877 49.70184 6.692442 49.26104 4.391268 0.4407997      8.004500 
1 1 1 5  3  13  o 365.9033 4.089641 2742.489       61.27395 2761.000       106.6456 2733.367       74.86449 366.9510 7.097583 365.2486 5.005678 1.702362       8.685188 
1 1 1 5  3  14  o 110.9958 3.271209 252.5329       14.85133 233.8000       20.52933 273.1000       21.51093 106.7247 4.709297 115.3705 4.562438 -8.645836      6.556929 
1 1 1 5  3  15  o 262.6709 4.022982 1413.255       43.26975 1368.000       59.51481 1464.000       63.02094 258.3736 5.625389 267.2798 5.758300 -8.906219      8.050032 
1 1 1 5  3  16  o 274.2372 3.405011 1540.290       38.23572 1534.517       46.72004 1552.000       66.53767 273.6983 4.168758 275.1789 5.905111 -1.480530      7.228339 
1 1 1 5  3  17  o 375.9649 4.211637 2895.710       64.83696 2902.664       79.59891 2882.000       111.7688 376.3579 5.165134 374.8454 7.281885 1.512543       8.927735 
1 1 1 5  3  18  o 442.6218 4.791967 4014.858       86.85025 3974.419       105.4780 4100.000       153.0493 440.2850 5.850642 446.8589 8.364435 -6.573853      10.20754 
1 1 1 5  3  19  o 194.3324 2.974244 773.5241       23.66717 794.6678       29.56485 735.8000       39.49069 196.9483 3.666056 189.3865 5.097021 7.561783       6.278502 
1 1 1 5  3  20  o 64.05142 4.130375 84.42923       10.77510 81.13377       13.69216 89.79000       17.46335 62.66651 5.388216 65.81471 6.567678 -3.148205      8.495132 
1 1 1 5  3  21  o 232.4890 4.000436 1107.885       38.08326 1037.000       53.62779 1180.000       54.09092 224.7091 5.833272 239.8138 5.508403 -15.10474      8.023065 
1 1 1 5  3  22  o 231.5046 4.051271 1098.750       38.40390 1064.000       55.81128 1130.000       52.92614 227.5538 5.995037 234.6396 5.508642 -7.085739      8.141597 
1 1 1 5  3  23  o 140.0830 3.959653 402.6811       22.68982 402.6811       22.68982 0.000000       0.000000 140.0830 3.959653 ?        ?        ?              ?        
1 1 1 5  3  24  o 523.9247 5.567701 5639.697       119.4453 5651.306       146.8493 5617.000       205.3305 523.9950 6.844161 521.0591 9.623700 2.935852       11.80924 
1 1 1 5  3  25  o 58.19882 5.457288 70.23982       12.85344 72.52659       17.78598 67.74000       18.59609 58.81184 7.560326 56.67456 8.255709 2.137272       11.19443 
1 1 1 5  3  26  o 56.35098 5.625618 66.01657       12.80735 82.74592       17.54419 46.93000       18.73949 62.93686 6.921887 46.58724 10.11413 16.34962       12.25595 
1 1 1 5  3  27  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5  3  28  o 90.45867 5.176797 169.3663       19.09495 169.3663       19.09495 0.000000       0.000000 90.45867 5.176797 ?        ?        ?              ?        
1 1 1 5  3  29  o 148.2866 3.177142 451.8409       19.29136 451.8409       19.29136 0.000000       0.000000 148.2866 3.177142 ?        ?        ?              ?        
1 1 1 5  3  30  o 147.2340 4.027017 447.4008       24.25537 447.4008       24.25537 0.000000       0.000000 147.2340 4.027017 ?        ?        ?              ?        
1 1 1 5  3  31  o 60.62824 5.503311 77.12430       13.51359 77.12430       13.51359 0.000000       0.000000 60.62824 5.503311 ?        ?        ?              ?        
1 1 1 5  3  32  o 26.03689 7.797685 14.69116       8.962892 14.69116       8.962892 0.000000       0.000000 26.03689 7.797685 ?        ?        ?              ?        
1 1 1 5  3  33  o 70.40604 12.07094 116.2000       33.54782 116.2000       33.54782 0.000000       0.000000 70.40604 12.07094 ?        ?        ?              ?        
1 1 1 5  3  34  o 40.26060 14.44635 39.36000       30.27394 39.36000       30.27394 0.000000       0.000000 40.26060 14.44635 ?        ?        ?              ?        
1 1 1 5  3  35  o 55.17438 11.55642 74.33000       25.27088 74.33000       25.27088 0.000000       0.000000 55.17438 11.55642 ?        ?        ?              ?        
1 1 1 5  3  36  o 42.32848 9.195132 42.35393       15.48041 52.52000       23.37351 34.41000       20.66165 45.04506 12.31958 36.87934 11.96585 8.165714       17.17421 
1 1 1 5  3  37  o 18.12256 8.367642 -7.398337      14.51416 -14.86000      22.06905 -1.711000      19.26728 20.91760 9.870814 22.37378 10.05895 -1.456177      14.09310 
1 1 1 5  3  38  o 42.69317 11.60309 49.57000       20.81009 0.000000       0.000000 49.57000       20.81009 ?        ?        42.69317 11.60309 ?              ?        
1 1 1 5  3  39  o 33.64564 12.08439 31.37000       21.18938 0.000000       0.000000 31.37000       21.18938 ?        ?        33.64564 12.08439 ?              ?        
1 1 1 5  3  40  o 21.98975 9.435533 5.290512       15.23115 11.59000       22.56619 0.1934000E-01  20.64235 26.51044 11.43135 22.79156 10.31394 3.718878       15.39653 
1 1 1 5  3  41  o 25.59128 10.15223 15.13105       15.84832 14.18000       23.61849 15.91000       21.37491 26.78326 11.62175 26.87471 11.34093 -0.9144974E-01 16.23828 
1 1 1 5  3  42  o 23.12673 9.792218 9.841069       16.02401 21.72000       23.74231 -0.9655000E-01 21.71578 28.25900 11.94018 22.24631 10.25862 6.012686       15.74189 
1 1 1 5  4  -41 o 25.12330 10.34417 14.16913       17.15432 23.31000       25.05660 6.105000       23.53461 29.02944 12.26599 24.32557 11.01001 4.703873       16.48256 
1 1 1 5  4  -40 o 28.89893 10.79707 21.77902       17.17640 24.04000       25.04114 19.77000       23.60466 30.17875 12.46893 28.72179 12.00603 1.456959       17.30950 
1 1 1 5  4  -39 o 52.23215 8.401807 65.46024       17.36013 51.63000       24.98973 78.36000       24.13447 41.51499 13.12841 54.26447 11.23203 -12.74948      17.27755 
1 1 1 5  4  -38 o 40.05707 3.998477 34.29505       6.470872 31.33332       6.761964 66.49000       22.29431 38.09700 4.416411 50.00867 11.16971 -11.91167      12.01113 
1 1 1 5  4  -37 o 31.97626 6.577069 23.39103       8.323997 20.79472       9.203559 35.06000       19.51164 29.68493 7.554143 36.06201 11.62205 -6.377081      13.86135 
1 1 1 5  4  -36 o 44.51654 5.116495 42.80861       9.157120 38.12061       10.47926 57.95000       18.83301 41.38805 6.388896 48.92981 9.742414 -7.541763      11.65044 
1 1 1 5  4  -35 o 69.19716 3.862681 100.3318       10.90120 94.87764       12.81651 114.6000       20.72950 66.91323 4.707756 72.07417 7.116785 -5.160942      8.532970 
1 1 1 5  4  -34 o 16.56328 7.553410 -5.721000      11.33781 -5.721000      11.33781 0.000000       0.000000 16.56328 7.553410 ?        ?        ?              ?        
1 1 1 5  4  -33 o 118.2982 4.636608 293.0000       22.41615 293.0000       22.41615 0.000000       0.000000 118.2982 4.636608 ?        ?        ?              ?        
1 1 1 5  4  -32 o 34.46132 8.587168 26.73265       12.07299 26.73265       12.07299 0.000000       0.000000 34.46132 8.587168 ?        ?        ?              ?        
1 1 1 5  4  -31 o 111.5734 5.610992 260.8000       25.55221 0.000000       0.000000 260.8000       25.55221 ?        ?        111.5734 5.610992 ?              ?        
1 1 1 5  4  -30 o 104.9342 5.056006 229.0423       21.66054 181.2000       44.38303 244.0000       24.81664 89.80904 12.39953 108.1141 5.625130 -18.30503      13.61582 
1 1 1 5  4  -29 o 84.91543 3.744051 148.8043       12.98625 137.4869       15.93315 171.2000       22.41344 81.40547 4.801273 90.52924 6.081661 -9.123764      7.748473 
1 1 1 5  4  -28 o 170.5518 3.222734 597.7059       22.50635 604.8464       28.33484 585.5000       37.04588 171.3903 4.037478 168.1708 5.386734 3.219482       6.731874 
1 1 1 5  4  -27 o 139.0093 3.304966 396.8326       18.81201 398.7645       23.64381 393.5000       31.05483 139.1633 4.153887 137.9440 5.509046 1.219360       6.899591 
1 1 1 5  4  -26 f 125.4055 3.374500 323.0353       17.31233 308.0934       21.37864 351.5000       29.50735 122.3467 4.273964 130.4644 5.536075 -8.117699      6.993918 
1 1 1 5  4  -25 o 168.3964 3.224544 581.6391       22.23440 581.9923       27.70596 581.0000       37.26638 168.3625 4.018865 167.9370 5.426464 0.4254761      6.752613 
1 1 1 5  4  -24 o 144.6377 3.273313 428.9529       19.38623 452.8668       24.48790 388.8000       31.73107 148.5030 4.030824 137.3831 5.652695 11.11984       6.942658 
1 1 1 5  4  -23 o 196.3265 3.244090 790.0848       26.07932 755.8558       31.73377 861.3000       45.77307 191.9635 4.037183 204.6859 5.466214 -12.72235      6.795465 
1 1 1 5  4  -22 o 305.6465 3.772101 1915.288       47.20926 1929.216       58.39079 1889.000       80.22113 306.6455 4.650325 303.1362 6.462887 3.509369       7.962062 
1 1 1 5  4  -21 o 181.7272 3.121795 676.6863       23.22997 676.6262       28.72319 676.8000       39.49679 181.6800 3.861013 181.5246 5.319497 0.1553192      6.573010 
1 1 1 5  4  -20 o 188.4336 3.565340 727.6414       27.50956 702.8000       36.82761 759.0000       41.37746 185.0511 4.864455 192.2740 5.260502 -7.222870      7.164901 
1 1 1 5  4  -19 o 160.2815 2.991668 526.2634       19.63455 516.9435       24.09146 544.7000       33.88421 158.8323 3.704248 162.9001 5.086090 -4.067841      6.292039 
1 1 1 5  4  -18 o 116.1593 3.027807 276.5698       14.38918 268.1307       17.49735 294.2000       25.29021 114.3366 3.742383 119.6788 5.172943 -5.342201      6.384729 
1 1 1 5  4  -17 o 200.8450 3.033046 826.2103       24.94390 841.4482       30.84286 797.4000       42.40977 202.6683 3.716588 197.1631 5.257793 5.505142       6.438744 
1 1 1 5  4  -16 o 175.1755 3.444967 628.5403       24.71057 630.4000       33.78176 626.4000       36.23962 175.3377 4.709512 174.7587 5.069670 0.5790253      6.919614 
1 1 1 5  4  -15 o 191.7293 2.965472 752.8291       23.28128 729.0659       28.09582 804.9000       41.58976 188.6654 3.636847 198.1262 5.130808 -9.460754      6.289026 
1 1 1 5  4  -14 o 349.9001 4.880467 2508.376       69.92458 2406.000       94.89534 2630.000       103.4318 342.5728 6.764998 358.1434 7.052980 -15.57068      9.772908 
1 1 1 5  4  -13 o 219.4569 3.781832 986.4392       33.98410 986.4392       33.98410 0.000000       0.000000 219.4569 3.781832 ?        ?        ?              ?        
1 1 1 5  4  -12 o 197.7570 2.950943 800.8793       23.89555 803.5076       29.24518 795.6000       41.44725 198.0690 3.605898 196.9868 5.142872 1.082169       6.281054 
1 1 1 5  4  -11 o 130.0040 2.746499 346.1035       14.62044 343.9617       17.76438 350.6000       25.73966 129.5506 3.351590 130.7266 4.816792 -1.175919      5.868103 
1 1 1 5  4  -10 o 328.9677 3.824919 2216.698       51.52285 2201.148       62.71011 2249.000       90.38161 327.7737 4.672390 331.1963 6.664539 -3.422668      8.139245 
1 1 1 5  4  -9  o 303.5886 3.618403 1887.819       44.98075 1865.674       54.52485 1935.000       79.58481 301.7696 4.412600 307.2169 6.326458 -5.447296      7.713307 
1 1 1 5  4  -8  o 155.3431 2.733333 494.1947       17.38637 490.1358       21.17215 502.6000       30.46744 154.6933 3.342483 156.5425 4.758649 -1.849274      5.815233 
1 1 1 5  4  -7  o 326.1405 4.634614 2179.529       61.89317 2183.000       87.17002 2176.000       87.89478 326.2678 6.524820 325.7390 6.589751 0.5288391      9.273516 
1 1 1 5  4  -6  o 168.9331 4.812907 585.3000       33.25859 0.000000       0.000000 585.3000       33.25859 ?        ?        168.9331 4.812907 ?              ?        
1 1 1 5  4  -5  o 281.3558 4.199850 1621.898       48.38536 1638.000       68.64704 1606.000       68.20953 282.6464 5.931355 279.8705 5.952009 2.775940       8.402821 
1 1 1 5  4  -4  o 146.1066 2.697136 437.1855       16.13604 434.5836       19.75574 442.4000       27.96768 145.6599 3.312294 146.8576 4.656771 -1.197662      5.714614 
1 1 1 5  4  -3  o 234.6732 3.104055 1127.967       29.82753 1121.606       36.38578 1141.000       52.08138 233.9872 3.797652 235.9294 5.391083 -1.942169      6.594387 
1 1 1 5  4  -2  o 258.2527 3.997039 1366.391       42.26760 1366.391       42.26760 0.000000       0.000000 258.2527 3.997039 ?        ?        ?              ?        
1 1 1 5  4  -1  o 271.3399 4.123850 1508.455       45.81851 1508.455       45.81851 0.000000       0.000000 271.3399 4.123850 ?        ?        ?              ?        
1 1 1 5  4  0   o 170.9530 3.386170 598.6281       23.70336 598.6281       23.70336 0.000000       0.000000 170.9530 3.386170 ?        ?        ?              ?        
1 1 1 5  4  1   o 307.9428 4.458929 1943.111       56.22443 1943.111       56.22443 0.000000       0.000000 307.9428 4.458929 ?        ?        ?              ?        
1 1 1 5  4  2   o 266.8299 2.881227 1458.192       31.48012 1452.792       44.45212 1463.625       44.58742 266.2889 4.076758 267.2800 4.074004 -0.9910583     5.763459 
1 1 1 5  4  3   o 194.7728 2.469799 776.8937       19.69764 801.9282       28.45207 753.8505       27.29715 197.8603 3.511809 191.8385 3.475018 6.021744       4.940501 
1 1 1 5  4  4   o 189.5333 2.455371 735.6561       19.05579 736.8649       27.25897 734.5007       26.64929 189.6641 3.509942 189.3616 3.436920 0.3024902      4.912444 
1 1 1 5  4  5   o 244.2049 3.151318 1221.468       31.51164 1176.000       53.49524 1245.627       38.99508 239.5184 5.454460 246.5828 3.862092 -7.064331      6.683330 
1 1 1 5  4  6   o 32.38290 6.755954 22.31305       8.668118 14.84000       13.14685 28.06000       11.52900 28.04207 9.557623 36.27063 7.979810 -8.228556      12.45092 
1 1 1 5  4  7   o 213.2584 2.946781 931.4337       25.73230 924.7000       44.58212 934.7976       31.51109 212.4143 5.125692 213.6255 3.602349 -1.211212      6.264954 
1 1 1 5  4  8   o 357.9436 3.501987 2624.342       51.32792 2574.324       71.62375 2677.149       73.59360 354.4370 4.935073 361.4437 4.972502 -7.006775      7.005764 
1 1 1 5  4  9   o 190.9669 2.460320 746.7942       19.23863 718.4480       26.84813 776.7107       27.58176 187.2876 3.500907 194.7346 3.459031 -7.447021      4.921508 
1 1 1 5  4  10  o 156.7948 2.332398 503.4242       14.97472 525.0416       21.73252 483.8825       20.66285 160.1115 3.314845 153.7082 3.282985 6.403275       4.665425 
1 1 1 5  4  11  o 420.6135 4.589069 3624.390       79.03732 3643.553       97.20363 3587.000       135.7776 421.6568 5.629879 418.1763 7.929471 3.480499       9.724816 
1 1 1 5  4  12  o 170.7172 2.804817 596.8257       19.60678 608.6146       24.23673 574.5000       33.35333 172.3853 3.433598 167.3848 4.871482 5.000549       5.959944 
1 1 1 5  4  13  o 171.7241 3.406829 603.9499       23.95554 586.9000       32.85601 623.3000       35.00225 169.1899 4.747287 174.3534 4.907650 -5.163452      6.828013 
1 1 1 5  4  14  o 387.9690 4.320342 3083.412       68.63403 3130.322       85.08034 2996.000       116.1388 390.8529 5.316079 382.2218 7.420574 8.631165       9.128286 
1 1 1 5  4  15  o 330.5464 3.851629 2238.050       52.13162 2311.712       65.43005 2110.000       86.26714 335.8993 4.757117 320.8027 6.567242 15.09656       8.109181 
1 1 1 5  4  16  o 112.1647 2.917340 257.8326       13.38748 256.2581       16.56262 260.8000       22.73772 111.7913 3.623021 112.7052 4.938947 -0.9139557     6.125315 
1 1 1 5  4  17  o 170.8624 2.888989 597.9227       20.21235 623.3013       25.36777 553.8000       33.44870 174.4345 3.551610 164.3034 4.977479 10.13115       6.114673 
1 1 1 5  4  18  o 208.1509 3.059464 887.4901       26.07642 899.4397       32.36998 865.4000       44.01120 209.5208 3.773036 205.3806 5.237618 4.140213       6.455110 
1 1 1 5  4  19  o 272.8604 3.455486 1525.452       38.60772 1568.290       48.34058 1450.000       64.15569 276.6111 4.267935 265.8381 5.893775 10.77298       7.276802 
1 1 1 5  4  20  o 111.1430 3.173037 253.2991       14.42570 272.3499       18.37562 222.7000       23.28838 115.2061 3.900938 104.0361 5.486161 11.17001       6.731663 
1 1 1 5  4  21  o 289.0206 3.620688 1712.092       42.84935 1745.964       53.58168 1652.000       71.36829 291.7803 4.484726 283.6116 6.145494 8.168701       7.607882 
1 1 1 5  4  22  o 252.7275 4.234279 1309.955       43.81837 1309.955       43.81837 0.000000       0.000000 252.7275 4.234279 ?        ?        ?              ?        
1 1 1 5  4  23  o 144.3278 4.113839 427.6445       24.28726 427.6445       24.28726 0.000000       0.000000 144.3278 4.113839 ?        ?        ?              ?        
1 1 1 5  4  24  o 186.7820 4.140154 715.9904       31.66474 687.1000       49.95071 735.4000       40.94233 182.5013 6.695577 189.0798 5.293348 -6.578476      8.535237 
1 1 1 5  4  25  o 121.0591 3.454997 300.9199       17.10901 298.0113       21.97181 305.4000       27.26877 120.3548 4.466136 121.6908 5.486582 -1.335968      7.074528 
1 1 1 5  4  26  f 81.59388 4.250952 137.2246       14.15363 134.1700       18.53242 141.5000       21.92511 80.46855 5.660586 82.48635 6.544971 -2.017799      8.653258 
1 1 1 5  4  27  o 29.75954 10.50184 16.59780       15.93639 29.99000       36.16199 13.37000       17.75331 41.53328 15.63511 28.99671 10.94644 12.53657       19.08616 
1 1 1 5  4  28  o 87.32435 5.377688 158.2842       19.13566 124.7000       39.32993 168.7000       21.90294 74.81821 13.32648 90.02064 5.975876 -15.20243      14.60500 
1 1 1 5  4  29  o 110.6799 3.395752 252.2852       15.37146 245.4928       19.68450 262.9000       24.60746 108.9555 4.421340 112.4997 5.357234 -3.544220      6.946093 
1 1 1 5  4  30  o 82.13692 3.951564 139.5971       13.25122 153.8555       17.65464 121.2000       20.05393 85.96217 5.037729 75.81760 6.522941 10.14457       8.241813 
1 1 1 5  4  31  o 53.19422 5.382434 59.60844       11.56263 48.51555       15.28245 74.46000       17.68303 47.03521 8.234840 58.79441 7.516768 -11.75920      11.14964 
1 1 1 5  4  32  o 52.98093 4.345129 58.72823       9.343668 58.19424       15.35250 59.04239       11.77570 51.69069 7.469790 52.77818 5.530942 -1.087486      9.294573 
1 1 1 5  4  33  o 90.90855 2.620155 170.4836       9.743227 171.7814       13.03081 168.8380       14.67290 90.98552 3.504187 90.02352 3.990397 0.9619980      5.310611 
1 1 1 5  4  34  o 39.03342 6.220185 33.29323       9.608403 31.73970       11.73081 36.46000       16.74849 37.42620 7.903017 39.10962 10.31296 -1.683418      12.99288 
1 1 1 5  4  35  o 21.89066 7.589168 9.930745       8.299890 8.026468       9.482271 16.17000       17.16381 21.16290 7.997569 28.21861 10.73770 -7.055712      13.38878 
1 1 1 5  4  36  o 31.88474 5.934760 22.61718       7.463306 20.96894       8.220307 30.35000       17.80524 30.34220 6.786562 34.63949 11.09635 -4.297297      13.00717 
1 1 1 5  4  37  o 49.00288 8.327759 56.84086       16.11255 41.29000       25.04659 67.82000       21.04532 37.85199 13.18004 51.88575 10.26928 -14.03376      16.70843 
1 1 1 5  4  38  o 28.29418 11.35253 18.18000       20.04261 0.000000       0.000000 18.18000       20.04261 ?        ?        28.29418 11.35253 ?              ?        
1 1 1 5  4  39  o 24.57394 9.922290 11.62914       15.41519 6.089000       22.95457 16.18000       20.80443 25.25865 11.19153 27.65287 11.38928 -2.394224      15.96766 
1 1 1 5  4  40  o 44.66660 9.423090 50.94573       16.69167 22.88000       24.96942 73.62000       22.44331 29.81818 12.39711 52.33678 10.82992 -22.51859      16.46134 
1 1 1 5  4  41  o 18.00973 8.466268 -8.287671      15.96035 -15.19000      24.40559 -3.130000      21.09688 20.63892 9.915479 21.50508 9.984639 -0.8661613     14.07159 
1 1 1 5  5  0   o 214.7067 3.667489 944.0513       32.24324 906.7000       44.90602 983.8000       46.32473 210.3891 5.212629 219.1528 5.162279 -8.763657      7.336254 
1 1 1 5  5  1   o 289.4949 3.505397 1716.632       41.55302 1737.000       72.93398 1706.843       50.56166 291.0695 6.119400 288.6357 4.278060 2.433838       7.466516 
1 1 1 5  5  2   o 187.2868 3.481883 718.4647       26.70213 690.6000       37.54002 747.0000       37.98899 183.5070 5.000603 190.8669 4.864708 -7.359894      6.976490 
1 1 1 5  5  3   o 290.3060 3.511457 1726.248       41.74148 1741.000       73.17185 1719.131       50.82203 291.4086 6.132213 289.6750 4.284663 1.733673       7.480800 
1 1 1 5  5  4   o 67.71604 2.843043 94.07323       7.865605 79.49682       11.54960 106.6815       10.74159 62.12218 4.572457 72.07571 3.651510 -9.953533      5.851572 
1 1 1 5  5  5   o 424.5114 4.010429 3691.585       69.71153 3549.424       95.43861 3854.184       102.0691 416.1483 5.600819 433.6336 5.748397 -17.48529      8.025785 
1 1 1 5  5  6   o 161.2205 2.788921 532.2877       18.41115 538.5162       22.72830 520.4000       31.39929 162.1505 3.423137 159.2968 4.819345 2.853699       5.911342 
1 1 1 5  5  7   o 102.3522 2.902766 214.7106       12.15332 219.4922       15.09513 205.9000       20.49054 103.4587 3.568585 100.1188 5.014153 3.339859       6.154391 
1 1 1 5  5  8   o 349.9314 4.007732 2508.243       57.42567 2485.305       69.86869 2556.000       100.8141 348.2863 4.899163 353.0747 6.973170 -4.788452      8.522141 
1 1 1 5  5  9   o 210.1578 3.022860 904.4854       26.01285 919.5330       32.23688 876.4000       44.04110 211.8842 3.715608 206.7495 5.206369 5.134750       6.396250 
1 1 1 5  5  10  o 294.1822 3.576432 1772.502       43.08149 1800.009       53.36028 1721.000       73.01385 296.4282 4.396166 289.7724 6.153524 6.655853       7.562548 
1 1 1 5  5  11  o 169.2691 2.874877 586.7505       19.92606 585.2947       24.49265 589.6000       34.26718 169.0487 3.538341 169.5685 4.940515 -0.5197754     6.076886 
1 1 1 5  5  12  o 353.9981 4.052918 2566.909       58.74801 2538.011       71.30171 2628.000       103.6699 351.9573 4.947497 358.0053 7.071942 -6.048035      8.630765 
1 1 1 5  5  13  o 379.2721 5.221107 2947.705       81.08451 2947.705       81.08451 0.000000       0.000000 379.2721 5.221107 ?        ?        ?              ?        
1 1 1 5  5  14  o 332.1100 3.890915 2259.429       52.91248 2242.679       64.46850 2294.000       92.61957 330.8314 4.759008 334.4543 6.763034 -3.622925      8.269630 
1 1 1 5  5  15  o 522.9955 5.529577 5607.264       118.4171 5598.964       144.8362 5624.000       205.6577 522.4401 6.770431 523.0959 9.601504 -0.6558228     11.74852 
1 1 1 5  5  16  o 156.5509 2.957492 501.9865       18.95848 509.5417       23.47004 487.8000       32.16068 157.7074 3.634440 154.1736 5.101398 3.533752       6.263658 
1 1 1 5  5  17  o 105.7140 3.249247 229.1567       14.04829 229.5051       17.38010 228.5000       23.86024 105.7509 4.021015 105.4057 5.547765 0.3451767      6.851734 
1 1 1 5  5  18  o 113.7412 3.249253 265.2732       15.11752 262.6472       18.78500 270.1000       25.46784 113.1276 4.061848 114.6160 5.442077 -1.488441      6.790788 
1 1 1 5  5  19  o 218.1482 3.239038 975.1069       28.93292 977.4841       35.75827 970.6000       49.23610 218.3673 3.999120 217.4034 5.535365 0.9638977      6.828852 
1 1 1 5  5  20  o 137.8491 3.199847 389.3991       18.06166 396.6424       22.53881 376.4000       30.19409 139.0356 3.963000 135.3027 5.461156 3.732910       6.747562 
1 1 1 5  5  21  o 165.9614 3.199901 564.4996       21.74543 568.7126       27.04803 556.8000       36.56607 166.5327 3.966537 164.5746 5.433590 1.958130       6.727356 
1 1 1 5  5  22  o 392.6479 4.458911 3163.969       71.68966 3105.808       86.77625 3289.000       127.2313 388.7944 5.450753 399.3636 7.780383 -10.56924      9.499741 
1 1 1 5  5  23  o 126.9907 3.404201 330.9683       17.68560 323.1808       22.11069 344.8000       29.46727 125.3948 4.312659 129.3604 5.576159 -3.965622      7.049296 
1 1 1 5  5  24  o 112.6754 3.611887 260.8132       16.64280 269.7399       21.26442 246.7000       26.73756 114.4773 4.545420 109.2507 5.999893 5.226555       7.527255 
1 1 1 5  5  25  o 102.0510 3.771896 214.2088       15.73453 228.9805       20.11153 190.9000       25.26328 105.3885 4.672056 95.88832 6.472192 9.500221       7.982317 
1 1 1 5  5  26  o 116.2769 4.465866 278.7782       21.22342 278.7782       21.22342 0.000000       0.000000 116.2769 4.465866 ?        ?        ?              ?        
1 1 1 5  5  27  o 175.9486 4.127983 637.6333       29.74049 637.6333       29.74049 0.000000       0.000000 175.9486 4.127983 ?        ?        ?              ?        
1 1 1 5  5  28  o 91.11171 4.925167 172.2194       18.30636 172.2194       18.30636 0.000000       0.000000 91.11171 4.925167 ?        ?        ?              ?        
1 1 1 5  5  29  o 74.29463 4.207505 114.4291       12.74758 105.5367       16.42469 127.9000       20.21560 70.96787 5.700012 77.95000 6.389562 -6.982124      8.562513 
1 1 1 5  5  30  o 83.00510 3.864092 142.7361       13.09734 146.9038       16.91696 136.5000       20.69339 83.89962 4.946170 80.37320 6.339042 3.526421       8.040401 
1 1 1 5  5  31  o 36.07128 9.863741 29.68000       14.98495 29.68000       14.98495 0.000000       0.000000 36.07128 9.863741 ?        ?        ?              ?        
1 1 1 5  5  32  o 18.80238 7.954803 1.605028       10.56054 6.127000       14.12033 -4.135000      15.90882 23.10923 9.435147 20.60409 9.211122 2.505135       13.18585 
1 1 1 5  5  33  o 100.3387 5.833809 214.8000       23.86537 0.000000       0.000000 214.8000       23.86537 ?        ?        100.3387 5.833809 ?              ?        
1 1 1 5  5  34  o 48.99596 8.077435 54.42206       15.64113 47.49000       27.51943 57.73000       19.01020 42.32412 13.81507 49.47188 9.731201 -7.147758      16.89830 
1 1 1 5  5  35  o 75.13622 3.307472 117.8015       10.15090 97.11494       13.73838 142.6732       15.06412 67.37798 5.015560 82.05978 4.500438 -14.68180      6.738678 
1 1 1 5  5  36  o 16.14264 6.898318 1.134061       8.080333 -1.837088      10.27303 5.954523       13.08521 16.66808 7.430027 21.58759 8.974745 -4.919510      11.65124 
1 1 1 5  5  37  o 23.60431 6.936442 12.93075       7.146477 17.68074       8.304785 -0.6239361     14.02899 27.35901 7.284303 19.49225 8.686213 7.866768       11.33629 
1 1 1 5  5  38  o 30.18385 7.600561 21.75012       9.386750 27.32000       11.60222 11.19610       15.97083 33.38501 8.473983 24.60261 10.03835 8.782393       13.13685 
1 1 1 5  5  39  o 16.10603 6.850903 1.727559       7.904771 8.921929       8.494690 -44.74000      21.58868 20.66258 7.616662 16.05877 8.018553 4.603815       11.05942 
1 1 1 5  5  40  o 21.18170 9.427345 2.700032       16.47235 12.72000       25.14469 -4.833000      21.80208 26.43666 11.71339 21.54831 10.05351 4.888357       15.43621 
1 1 1 5  5  41  o 19.70248 9.438362 -13.36000      21.75928 0.000000       0.000000 -13.36000      21.75928 ?        ?        19.70248 9.438362 ?              ?        
1 1 1 6  0  -42 o 12.28375 8.291649 -3.197131      12.13121 -3.197131      12.13121 -3.197131      12.13121 12.28375 8.291649 12.28375 8.291649 0.000000       0.000000 
1 1 1 6  0  -41 o 14.90785 9.280560 4.725963       11.45216 4.725963       11.45216 4.725963       11.45216 14.90785 9.280560 14.90785 9.280560 0.000000       0.000000 
1 1 1 6  0  -40 o 16.93181 9.925399 8.590186       11.56084 8.590186       11.56084 8.590186       11.56084 16.93181 9.925399 16.93181 9.925399 -0.000000      0.000000 
1 1 1 6  0  -39 o 41.04996 8.105170 40.19320       12.11447 40.19320       12.11447 40.19320       12.11447 41.04996 8.105170 41.04996 8.105170 0.000000       0.000000 
1 1 1 6  0  -38 o 18.89079 10.42943 11.61936       11.74633 11.61936       11.74633 11.61936       11.74633 18.89079 10.42943 18.89079 10.42943 -0.000000      0.000000 
1 1 1 6  0  -37 o 20.63738 10.56995 13.94806       11.31588 13.94806       11.31588 13.94806       11.31588 20.63738 10.56995 20.63738 10.56995 0.000000       0.000000 
1 1 1 6  0  -36 o 31.43894 14.25621 32.44000       19.80325 32.44000       19.80325 32.44000       19.80325 31.43894 14.25621 31.43894 14.25621 0.000000       0.000000 
1 1 1 6  0  -35 o 59.28082 10.21525 81.43000       22.58968 81.43000       22.58968 81.43000       22.58968 59.28082 10.21525 59.28082 10.21525 -0.000000      0.000000 
1 1 1 6  0  -34 o 120.9922 5.918262 306.5000       29.16012 306.5000       29.16012 306.5000       29.16012 120.9922 5.918262 120.9922 5.918262 -0.000000      0.000000 
1 1 1 6  0  -33 o 19.37160 12.23836 4.863000       20.71372 4.863000       20.71372 4.863000       20.71372 19.37160 12.23836 19.37160 12.23836 -0.000000      0.000000 
1 1 1 6  0  -32 o 22.96461 13.66605 13.30000       22.51019 13.30000       22.51019 13.30000       22.51019 22.96461 13.66605 22.96461 13.66605 -0.000000      0.000000 
1 1 1 6  0  -31 o 107.7544 6.951581 243.3000       30.37542 243.3000       30.37542 243.3000       30.37542 107.7544 6.951581 107.7544 6.951581 -0.000000      0.000000 
1 1 1 6  0  -30 o 58.65027 13.04462 81.73000       27.37621 81.73000       27.37621 81.73000       27.37621 58.65027 13.04462 58.65027 13.04462 0.000000       0.000000 
1 1 1 6  0  -29 o 24.26158 14.66075 12.67000       26.69731 12.67000       26.69731 12.67000       26.69731 24.26158 14.66075 24.26158 14.66075 0.000000       0.000000 
1 1 1 6  0  -28 o 49.39709 15.96082 64.55000       28.51700 64.55000       28.51700 64.55000       28.51700 49.39709 15.96082 49.39709 15.96082 -0.000000      0.000000 
1 1 1 6  0  -27 o 135.1617 6.732056 378.3000       37.04668 378.3000       37.04668 378.3000       37.04668 135.1617 6.732056 135.1617 6.732056 0.000000       0.000000 
1 1 1 6  0  -26 o 19.75108 13.10089 -7.088000      28.01402 -7.088000      28.01402 -7.088000      28.01402 19.75108 13.10089 19.75108 13.10089 0.000000       0.000000 
1 1 1 6  0  -25 o 323.5485 6.948041 2152.000       91.95470 2152.000       91.95470 2152.000       91.95470 323.5485 6.948041 323.5485 6.948041 0.000000       0.000000 
1 1 1 6  0  -24 o 65.32270 11.82642 95.95000       28.55902 95.95000       28.55902 95.95000       28.55902 65.32270 11.82642 65.32270 11.82642 -0.000000      0.000000 
1 1 1 6  0  -23 o 80.66251 8.810078 138.3000       28.21775 138.3000       28.21775 138.3000       28.21775 80.66251 8.810078 80.66251 8.810078 -0.000000      0.000000 
1 1 1 6  0  -22 o 138.7309 6.078928 396.8000       34.38097 396.8000       34.38097 396.8000       34.38097 138.7309 6.078928 138.7309 6.078928 0.000000       0.000000 
1 1 1 6  0  -21 o 104.1575 6.660574 225.1000       28.13732 225.1000       28.13732 225.1000       28.13732 104.1575 6.660574 104.1575 6.660574 -0.000000      0.000000 
1 1 1 6  0  -20 o 396.3881 7.737155 3225.000       125.4738 3225.000       125.4738 3225.000       125.4738 396.3881 7.737155 396.3881 7.737155 0.000000       0.000000 
1 1 1 6  0  -19 o 280.5533 6.188398 1615.000       71.01348 1615.000       71.01348 1615.000       71.01348 280.5533 6.188398 280.5533 6.188398 0.000000       0.000000 
1 1 1 6  0  -18 o 437.0903 8.281968 3920.000       148.1076 3920.000       148.1076 3920.000       148.1076 437.0903 8.281968 437.0903 8.281968 -0.000000      0.000000 
1 1 1 6  0  -17 o 459.6559 8.619213 4335.000       162.0990 4335.000       162.0990 4335.000       162.0990 459.6559 8.619213 459.6559 8.619213 -0.000000      0.000000 
1 1 1 6  0  -16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  0  -15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  0  -14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  0  -13 o 346.2751 6.935578 2460.000       98.25057 2460.000       98.25057 2460.000       98.25057 346.2751 6.935578 346.2751 6.935578 -0.000000      0.000000 
1 1 1 6  0  -12 o 293.0559 6.211879 1762.000       74.46585 1762.000       74.46585 1762.000       74.46585 293.0559 6.211879 293.0559 6.211879 -0.000000      0.000000 
1 1 1 6  0  -11 o 178.9039 5.047023 657.2000       36.90602 657.2000       36.90602 657.2000       36.90602 178.9039 5.047023 178.9039 5.047023 0.000000       0.000000 
1 1 1 6  0  -10 o 408.6441 7.805535 3427.000       130.5013 3427.000       130.5013 3427.000       130.5013 408.6441 7.805535 408.6441 7.805535 0.000000       0.000000 
1 1 1 6  0  -9  o 15.11398 9.718875 0.1451000      13.77506 0.1451000      13.77506 0.1451000      13.77506 15.11398 9.718875 15.11398 9.718875 0.000000       0.000000 
1 1 1 6  0  -8  o 281.7821 6.011059 1629.000       69.28551 1629.000       69.28551 1629.000       69.28551 281.7821 6.011059 281.7821 6.011059 -0.000000      0.000000 
1 1 1 6  0  -7  f 64.68190 6.197331 88.05000       16.04583 88.05000       16.04583 88.05000       16.04583 64.68190 6.197331 64.68190 6.197331 0.000000       0.000000 
1 1 1 6  0  -6  f 249.4941 5.573989 1277.000       56.88020 1277.000       56.88020 1277.000       56.88020 249.4941 5.573989 249.4941 5.573989 -0.000000      0.000000 
1 1 1 6  0  -5  o 379.3466 7.335385 2952.000       113.8458 2952.000       113.8458 2952.000       113.8458 379.3466 7.335385 379.3466 7.335385 -0.000000      0.000000 
1 1 1 6  0  -4  o 199.9640 5.022529 820.5000       41.06570 820.5000       41.06570 820.5000       41.06570 199.9640 5.022529 199.9640 5.022529 0.000000       0.000000 
1 1 1 6  0  -3  o 278.2466 5.901283 1588.000       67.16756 1588.000       67.16756 1588.000       67.16756 278.2466 5.901283 278.2466 5.901283 -0.000000      0.000000 
1 1 1 6  0  -2  o 509.9147 9.325555 5335.000       194.5669 5335.000       194.5669 5335.000       194.5669 509.9147 9.325555 509.9147 9.325555 -0.000000      0.000000 
1 1 1 6  0  -1  f 404.7323 7.687651 3360.000       127.3012 3360.000       127.3012 3360.000       127.3012 404.7323 7.687651 404.7323 7.687651 -0.000000      0.000000 
1 1 1 6  0  0   o 714.0336 12.61933 10470.00       368.7003 10470.00       368.7003 10470.00       368.7003 714.0336 12.61933 714.0336 12.61933 -0.000000      0.000000 
1 1 1 6  0  1   f 651.9175 11.60381 8725.000       309.5332 8725.000       309.5332 8725.000       309.5332 651.9175 11.60381 651.9175 11.60381 -0.000000      0.000000 
1 1 1 6  0  2   o 524.7870 9.545704 5651.000       204.9705 5651.000       204.9705 5651.000       204.9705 524.7870 9.545704 524.7870 9.545704 -0.000000      0.000000 
1 1 1 6  0  3   o 76.70122 5.129823 122.1000       15.94333 122.1000       15.94333 122.1000       15.94333 76.70122 5.129823 76.70122 5.129823 -0.000000      0.000000 
1 1 1 6  0  4   o 527.7664 9.592637 5716.000       207.1479 5716.000       207.1479 5716.000       207.1479 527.7664 9.592637 527.7664 9.592637 0.000000       0.000000 
1 1 1 6  0  5   o 281.9851 5.910667 1631.000       68.17988 1631.000       68.17988 1631.000       68.17988 281.9851 5.910667 281.9851 5.910667 0.000000       0.000000 
1 1 1 6  0  6   f 87.07619 4.789403 156.7000       16.95783 156.7000       16.95783 156.7000       16.95783 87.07619 4.789403 87.07619 4.789403 0.000000       0.000000 
1 1 1 6  0  7   f 338.6714 6.695329 2353.000       92.76661 2353.000       92.76661 2353.000       92.76661 338.6714 6.695329 338.6714 6.695329 0.000000       0.000000 
1 1 1 6  0  8   o 85.94366 4.795671 152.7000       16.75566 152.7000       16.75566 152.7000       16.75566 85.94366 4.795671 85.94366 4.795671 -0.000000      0.000000 
1 1 1 6  0  9   o 178.3627 4.719786 653.0000       34.41618 653.0000       34.41618 653.0000       34.41618 178.3627 4.719786 178.3627 4.719786 0.000000       0.000000 
1 1 1 6  0  10  o 49.22759 6.501194 52.19000       12.46907 52.19000       12.46907 52.19000       12.46907 49.22759 6.501194 49.22759 6.501194 0.000000       0.000000 
1 1 1 6  0  11  o 150.2439 4.512753 463.6000       27.70605 463.6000       27.70605 463.6000       27.70605 150.2439 4.512753 150.2439 4.512753 -0.000000      0.000000 
1 1 1 6  0  12  o 52.85856 6.233395 59.59000       12.99958 59.59000       12.99958 59.59000       12.99958 52.85856 6.233395 52.85856 6.233395 -0.000000      0.000000 
1 1 1 6  0  13  o 426.2494 7.979408 3728.000       139.1603 3728.000       139.1603 3728.000       139.1603 426.2494 7.979408 426.2494 7.979408 0.000000       0.000000 
1 1 1 6  0  14  o 348.2689 6.810309 2488.000       97.03559 2488.000       97.03559 2488.000       97.03559 348.2689 6.810309 348.2689 6.810309 -0.000000      0.000000 
1 1 1 6  0  15  o 99.74852 4.653617 205.1000       18.91278 205.1000       18.91278 205.1000       18.91278 99.74852 4.653617 99.74852 4.653617 0.000000       0.000000 
1 1 1 6  0  16  o 577.7406 10.40596 6851.000       245.9924 6851.000       245.9924 6851.000       245.9924 577.7406 10.40596 577.7406 10.40596 0.000000       0.000000 
1 1 1 6  0  17  o 111.3596 4.653735 255.3000       21.13593 255.3000       21.13593 255.3000       21.13593 111.3596 4.653735 111.3596 4.653735 0.000000       0.000000 
1 1 1 6  0  18  o 80.12505 3.532022 132.2321       11.53682 132.2321       11.53682 132.2321       11.53682 80.12505 3.532022 80.12505 3.532022 -0.000000      0.000000 
1 1 1 6  0  19  o 325.0373 4.594787 2165.183       61.12619 2165.183       61.12619 2165.183       61.12619 325.0373 4.594787 325.0373 4.594787 0.000000       0.000000 
1 1 1 6  0  20  o 299.7507 4.352210 1841.530       53.39346 1841.530       53.39346 1841.530       53.39346 299.7507 4.352210 299.7507 4.352210 0.000000       0.000000 
1 1 1 6  0  21  o 99.23196 3.374960 202.3665       13.67739 202.3665       13.67739 202.3665       13.67739 99.23196 3.374960 99.23196 3.374960 0.000000       0.000000 
1 1 1 6  0  22  o 29.87231 8.354973 22.09257       8.843066 22.09257       8.843066 22.09257       8.843066 29.87231 8.354973 29.87231 8.354973 -0.000000      0.000000 
1 1 1 6  0  23  o 61.90750 4.089503 79.53984       10.26134 79.53984       10.26134 79.53984       10.26134 61.90750 4.089503 61.90750 4.089503 -0.000000      0.000000 
1 1 1 6  0  24  o 168.6439 5.327981 584.8000       36.70912 584.8000       36.70912 584.8000       36.70912 168.6439 5.327981 168.6439 5.327981 0.000000       0.000000 
1 1 1 6  0  25  o 399.6656 7.756349 3285.000       126.8263 3285.000       126.8263 3285.000       126.8263 399.6656 7.756349 399.6656 7.756349 -0.000000      0.000000 
1 1 1 6  0  26  o 293.5692 6.386312 1772.000       76.68684 1772.000       76.68684 1772.000       76.68684 293.5692 6.386312 293.5692 6.386312 -0.000000      0.000000 
1 1 1 6  0  27  o 28.30275 15.22772 23.94000       24.38951 23.94000       24.38951 23.94000       24.38951 28.30275 15.22772 28.30275 15.22772 0.000000       0.000000 
1 1 1 6  0  28  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  0  29  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  0  30  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  0  31  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  0  32  o 103.9114 7.138759 227.4000       30.03989 227.4000       30.03989 227.4000       30.03989 103.9114 7.138759 103.9114 7.138759 0.000000       0.000000 
1 1 1 6  0  33  o 36.36280 15.59181 41.05000       23.73950 41.05000       23.73950 41.05000       23.73950 36.36280 15.59181 36.36280 15.59181 0.000000       0.000000 
1 1 1 6  0  34  o 36.56200 15.52795 41.85000       23.57854 41.85000       23.57854 41.85000       23.57854 36.56200 15.52795 36.56200 15.52795 0.000000       0.000000 
1 1 1 6  0  35  o 21.24103 13.17149 9.626000       22.84354 9.626000       22.84354 9.626000       22.84354 21.24103 13.17149 21.24103 13.17149 0.000000       0.000000 
1 1 1 6  0  36  o 39.05462 15.32126 47.20000       23.46047 47.20000       23.46047 47.20000       23.46047 39.05462 15.32126 39.05462 15.32126 -0.000000      0.000000 
1 1 1 6  0  37  o 32.54670 15.03090 36.15000       22.05165 36.15000       22.05165 36.15000       22.05165 32.54670 15.03090 32.54670 15.03090 -0.000000      0.000000 
1 1 1 6  0  38  o 44.74008 13.96778 57.10000       22.43648 57.10000       22.43648 57.10000       22.43648 44.74008 13.96778 44.74008 13.96778 -0.000000      0.000000 
1 1 1 6  0  39  o 13.82143 9.671620 -15.56000      20.38736 -15.56000      20.38736 -15.56000      20.38736 13.82143 9.671620 13.82143 9.671620 0.000000       0.000000 
1 1 1 6  0  40  o 13.15919 9.329848 -21.85000      21.04037 -21.85000      21.04037 -21.85000      21.04037 13.15919 9.329848 13.15919 9.329848 0.000000       0.000000 
1 1 1 6  0  41  o 22.70826 13.40679 18.49000       21.35460 18.49000       21.35460 18.49000       21.35460 22.70826 13.40679 22.70826 13.40679 0.000000       0.000000 
1 1 1 6  0  42  o 16.56970 11.16922 -1.692000      21.86670 -1.692000      21.86670 -1.692000      21.86670 16.56970 11.16922 16.56970 11.16922 -0.000000      0.000000 
1 1 1 6  1  -42 o 30.09566 10.95020 26.03000       17.46949 0.000000       0.000000 26.03000       17.46949 ?        ?        30.09566 10.95020 ?              ?        
1 1 1 6  1  -41 o 13.32770 6.187814 -5.244588      8.101997 -7.923938      10.24923 -0.7811553     13.22852 14.41880 6.780158 18.68295 8.372339 -4.264156      10.77342 
1 1 1 6  1  -40 o 45.83770 4.863753 45.70917       8.989745 41.79623       11.80630 51.10798       13.86793 42.51335 7.027409 46.73920 7.499701 -4.225857      10.27765 
1 1 1 6  1  -39 o 20.53424 7.604880 8.552036       8.485744 18.01575       11.16871 -4.371030      13.05133 27.22358 8.794705 17.70752 8.086274 9.516068       11.94716 
1 1 1 6  1  -38 o 51.54129 4.391714 56.84314       9.180390 61.22354       12.44206 51.60846       13.60132 52.64097 5.872112 47.41517 7.234228 5.225800       9.317497 
1 1 1 6  1  -37 o 12.02680 5.683178 -7.549635      7.362577 -11.13072      9.862938 -3.042506      11.06493 13.51905 6.442727 16.97996 7.629316 -3.460905      9.985749 
1 1 1 6  1  -36 o 19.20331 7.025718 6.887143       7.205941 1.104656       9.626657 14.25601       10.86723 17.62680 7.530948 25.55107 8.689907 -7.924273      11.49912 
1 1 1 6  1  -35 o 47.06447 5.379564 47.41719       10.18126 25.18000       22.55828 53.10566       11.40942 33.60891 12.40799 49.70747 5.709055 -16.09857      13.65839 
1 1 1 6  1  -34 o 103.1793 4.563644 222.7663       19.23327 203.7000       28.45700 238.8000       26.09601 97.10451 7.208312 105.9889 6.037951 -8.884407      9.403010 
1 1 1 6  1  -33 o 85.23006 5.204481 152.4760       18.07670 138.0000       27.08699 164.1000       24.27257 79.48747 8.451606 87.67640 6.814435 -8.188927      10.85662 
1 1 1 6  1  -32 o 35.89503 10.53168 28.93134       16.48559 61.05000       26.02025 7.393000       21.30781 51.16231 12.52339 27.75270 11.48758 23.40961       16.99411 
1 1 1 6  1  -31 o 146.3157 4.349057 442.9615       26.02725 420.4000       38.81128 461.4000       35.08615 141.5095 6.717217 148.7416 5.771700 -7.232101      8.856271 
1 1 1 6  1  -30 o 101.2222 5.327461 212.7928       22.00335 199.4000       33.74362 222.7000       29.02223 96.87696 8.595546 103.0640 6.917054 -6.187073      11.03309 
1 1 1 6  1  -29 o 209.9830 4.316606 908.2748       37.11512 885.9000       54.14996 928.1000       50.97154 206.5279 6.410933 211.6293 5.887754 -5.101425      8.704350 
1 1 1 6  1  -28 o 84.20950 6.391434 147.5496       21.87400 101.6000       33.67155 181.1000       28.77205 68.10120 12.53673 93.04947 7.618123 -24.94827      14.66988 
1 1 1 6  1  -27 o 179.5684 4.389574 662.7905       32.27577 680.6000       48.46774 648.6000       43.26390 181.4144 6.535319 177.2399 5.969805 4.174515       8.851496 
1 1 1 6  1  -26 o 133.8286 4.780101 368.4816       26.15244 396.8000       40.60087 348.4000       34.19013 138.4661 7.185478 129.8631 6.449884 8.603073       9.655677 
1 1 1 6  1  -25 o 184.8563 4.366919 701.2989       33.05474 722.6000       49.61608 684.3000       44.32332 187.2634 6.480375 182.3207 5.945016 4.942734       8.794230 
1 1 1 6  1  -24 o 441.8647 6.028056 4012.499       109.0664 4061.000       156.7676 3967.000       151.8369 443.6496 8.629622 438.5525 8.455343 5.097076       12.08152 
1 1 1 6  1  -23 o 243.1822 4.379497 1212.812       43.60943 1230.000       64.09923 1198.000       59.50303 244.5809 6.405896 241.5115 6.016957 3.069412       8.788588 
1 1 1 6  1  -22 o 314.9716 4.796777 2034.693       61.86505 2044.000       89.02120 2026.000       86.03593 315.3971 6.893050 314.0381 6.690725 1.359009       9.606245 
1 1 1 6  1  -21 o 521.1977 6.829561 5578.326       145.7537 5643.000       208.9220 5517.000       203.4411 523.3966 9.748300 517.5681 9.599459 5.828491       13.68134 
1 1 1 6  1  -20 o 215.0235 4.047293 947.4280       35.63485 931.2000       51.17788 962.7000       49.64752 212.9905 5.873710 216.5907 5.602710 -3.600235      8.117316 
1 1 1 6  1  -19 o 424.1302 5.751855 3688.200       99.89220 3744.000       143.6842 3636.000       138.9715 427.0088 8.217652 420.8275 8.064865 6.181244       11.51398 
1 1 1 6  1  -18 o 259.0548 4.218750 1374.862       44.75070 1392.000       64.54634 1359.000       62.09869 260.5752 6.049427 257.4768 5.890062 3.098328       8.443245 
1 1 1 6  1  -17 o 277.1498 4.322545 1573.548       49.05445 1570.000       69.85014 1577.000       68.90644 276.7528 6.163833 277.3742 6.066935 -0.6214294     8.648730 
1 1 1 6  1  -16 o 312.8788 4.616538 2005.475       59.14484 2061.000       85.71008 1955.000       81.71943 317.0773 6.601496 308.8240 6.462340 8.253296       9.238051 
1 1 1 6  1  -15 o 53.89828 6.001186 60.27277       13.02017 53.54000       19.40099 65.79000       17.56256 50.21385 9.787579 56.09503 7.861611 -5.881184      12.55395 
1 1 1 6  1  -14 o 185.2896 5.140535 704.0000       38.96404 0.000000       0.000000 704.0000       38.96404 ?        ?        185.2896 5.140535 ?              ?        
1 1 1 6  1  -13 o 460.2253 8.617853 4347.000       162.4030 0.000000       0.000000 4347.000       162.4030 ?        ?        460.2253 8.617853 ?              ?        
1 1 1 6  1  -12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  1  -11 o 367.8546 7.227537 2776.000       108.8657 2776.000       108.8657 0.000000       0.000000 367.8546 7.227537 ?        ?        ?              ?        
1 1 1 6  1  -10 o 354.7635 7.036559 2582.000       102.2171 2582.000       102.2171 0.000000       0.000000 354.7635 7.036559 ?        ?        ?              ?        
1 1 1 6  1  -9  o 206.5873 3.670510 874.2709       31.04948 876.8000       44.16817 871.8000       43.65749 206.7607 5.221131 206.1731 5.175422 0.5875702      7.351544 
1 1 1 6  1  -8  o 75.46030 4.067667 117.0020       12.52219 132.3000       18.18262 103.2000       17.27065 80.14069 5.575655 70.68806 6.024099 9.452621       8.208392 
1 1 1 6  1  -7  o 220.2195 3.753654 993.4761       33.84811 941.3000       46.74270 1051.000       49.07967 214.2958 5.326914 226.4406 5.293258 -12.14474      7.509633 
1 1 1 6  1  -6  o 160.6622 3.398680 528.7121       22.35879 550.1000       32.24270 508.9000       31.03224 163.7716 4.813266 157.5137 4.817050 6.257935       6.809662 
1 1 1 6  1  -5  o 21.76736 7.828551 8.123051       8.896030 11.88000       12.85665 4.672000       12.32213 26.23281 9.414122 22.18950 8.902003 4.043312       12.95652 
1 1 1 6  1  -4  o 211.8223 3.645493 919.0621       31.61931 893.1000       44.11107 946.5000       45.34746 208.7591 5.160334 214.9098 5.153144 -6.150726      7.292732 
1 1 1 6  1  -3  o 93.26116 3.455367 178.3887       13.17249 174.5000       18.72318 182.2000       18.53566 92.14795 4.980659 94.17551 4.822744 -2.027565      6.932952 
1 1 1 6  1  -2  o 342.0407 4.792048 2397.050       67.11559 2323.000       92.59994 2479.000       97.41454 336.5938 6.718621 347.7025 6.842133 -11.10873      9.589299 
1 1 1 6  1  -1  o 353.1465 4.898345 2555.280       70.83186 2504.000       98.58441 2610.000       101.8375 349.4535 6.889608 356.7669 6.971062 -7.313446      9.801143 
1 1 1 6  1  0   o 518.1282 6.679619 5504.092       141.7142 5439.000       198.3264 5572.000       202.5693 514.6959 9.410340 520.9374 9.496503 -6.241455      13.36930 
1 1 1 6  1  1   o 251.2206 3.916917 1292.762       40.29248 1308.000       57.43872 1278.000       56.53634 252.6340 5.552498 249.7211 5.529020 2.912964       7.835835 
1 1 1 6  1  2   o 584.7599 7.426518 7013.496       177.8227 7017.000       251.6224 7010.000       251.3365 584.3760 10.51556 584.0858 10.50883 0.2902222      14.86649 
1 1 1 6  1  3   o 595.0305 7.544956 7262.957       183.8316 7250.000       259.5489 7276.000       260.4077 593.9250 10.67243 594.9855 10.68865 -1.060486      15.10457 
1 1 1 6  1  4   o 352.4133 4.877295 2544.894       70.38104 2587.000       100.9039 2505.000       98.21808 355.1617 6.938370 349.4941 6.863208 5.667603       9.759334 
1 1 1 6  1  5   o 97.51852 3.307997 195.0061       13.19008 192.3000       18.85425 197.6000       18.45920 96.75598 4.773643 98.09421 4.608515 -1.338226      6.635215 
1 1 1 6  1  6   o 218.4364 5.130342 977.9000       45.88763 0.000000       0.000000 977.9000       45.88763 ?        ?        218.4364 5.130342 ?              ?        
1 1 1 6  1  7   o 236.7671 3.785367 1148.400       36.69897 1197.000       53.43246 1105.000       50.49259 241.6516 5.399966 232.1840 5.310934 9.467621       7.574012 
1 1 1 6  1  8   o 310.7657 4.454031 1978.908       56.67751 1987.000       80.61697 1971.000       79.69913 311.2675 6.325113 310.0156 6.278352 1.251923       8.912057 
1 1 1 6  1  9   o 147.1888 3.230596 443.7449       19.47071 449.5000       28.05912 438.4000       27.04061 148.0337 4.634729 146.1994 4.522402 1.834381       6.475556 
1 1 1 6  1  10  o 383.7032 4.246532 3016.529       66.71972 3057.006       82.68724 2941.000       112.9506 386.1951 5.228864 378.5963 7.285975 7.598755       8.968080 
1 1 1 6  1  11  o 250.6317 3.895724 1286.826       39.98052 1375.000       59.22441 1213.000       54.19212 258.9963 5.584481 243.2685 5.440338 15.72780       7.796390 
1 1 1 6  1  12  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  1  13  o 298.5312 3.072990 1825.190       37.56430 1836.869       43.67642 1792.000       73.62737 299.4689 3.561811 295.6713 6.081431 3.797668       7.047716 
1 1 1 6  1  14  o 464.3965 4.954735 4418.661       94.21798 4426.118       115.7229 4404.000       162.2690 464.7019 6.081638 463.2892 8.553795 1.412659       10.49541 
1 1 1 6  1  15  o 420.7954 4.570614 3627.403       78.75352 3660.512       97.43053 3565.000       133.7606 422.6462 5.629810 416.9189 7.835238 5.727264       9.648093 
1 1 1 6  1  16  o 262.2637 3.280420 1408.664       35.22833 1408.489       43.45656 1409.000       60.16564 262.2259 4.047207 262.2159 5.603576 0.1004028E-01  6.912304 
1 1 1 6  1  17  o 66.76868 3.346870 91.53394       9.121138 100.4751       12.10071 79.77000       13.88007 69.90520 4.247478 62.14681 5.511509 7.758396       6.958290 
1 1 1 6  1  18  o 106.8487 2.777036 233.9635       12.13967 227.7180       15.52230 243.8000       19.48025 105.3769 3.602677 108.9983 4.373538 -3.621399      5.666314 
1 1 1 6  1  19  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  1  20  o 217.9400 5.276795 973.9000       47.09032 0.000000       0.000000 973.9000       47.09032 ?        ?        217.9400 5.276795 ?              ?        
1 1 1 6  1  21  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  1  22  o 401.6642 5.412282 3310.473       89.01598 3329.000       125.9792 3292.000       125.7962 402.3401 7.646822 400.0905 7.678651 2.249573       10.83677 
1 1 1 6  1  23  o 331.5504 3.874525 2253.560       52.60081 2235.899       64.09255 2290.000       92.06277 330.1399 4.741166 333.7735 6.736089 -3.633545      8.237327 
1 1 1 6  1  24  o 426.9713 5.727313 3745.194       100.1323 3745.194       100.1323 0.000000       0.000000 426.9713 5.727313 ?        ?        ?              ?        
1 1 1 6  1  25  o 78.48244 4.461806 126.8277       14.27956 126.8277       14.27956 0.000000       0.000000 78.48244 4.461806 ?        ?        ?              ?        
1 1 1 6  1  26  o 230.0352 3.913306 1086.028       36.86062 1086.028       36.86062 0.000000       0.000000 230.0352 3.913306 ?        ?        ?              ?        
1 1 1 6  1  27  o 178.3248 3.632385 652.8266       26.52332 652.8266       26.52332 0.000000       0.000000 178.3248 3.632385 ?        ?        ?              ?        
1 1 1 6  1  28  o 73.92799 9.427921 116.2000       27.89121 116.2000       27.89121 0.000000       0.000000 73.92799 9.427921 ?        ?        ?              ?        
1 1 1 6  1  29  o 220.0429 6.055943 1004.000       54.51303 1004.000       54.51303 0.000000       0.000000 220.0429 6.055943 ?        ?        ?              ?        
1 1 1 6  1  30  o 44.48756 9.413750 43.45553       16.61274 89.17000       28.08064 18.84000       20.60557 63.57170 11.19626 32.25328 11.86727 31.31842       16.31528 
1 1 1 6  1  31  o 141.4051 4.199959 413.4578       24.29142 430.0000       38.37717 402.4000       31.37696 143.1999 6.562386 139.0000 5.523792 4.199936       8.577715 
1 1 1 6  1  32  o 138.2291 4.201409 395.9826       23.75278 407.2000       36.19794 387.5000       31.47754 139.0911 6.372582 136.0701 5.661917 3.020981       8.524501 
1 1 1 6  1  33  o 106.7541 4.645893 237.7851       20.25990 229.8000       30.62407 244.0000       27.01732 103.5524 7.268511 107.3816 6.170502 -3.829178      9.534483 
1 1 1 6  1  34  o 123.2181 4.423223 317.1211       22.28089 272.1000       32.66346 356.3000       30.47058 112.3502 7.136986 129.7424 5.749825 -17.39220      9.164990 
1 1 1 6  1  35  o 45.69539 8.920458 47.91561       16.09185 46.40000       25.64438 48.90000       20.66724 42.70216 13.27008 44.86319 11.26731 -2.161034      17.40825 
1 1 1 6  1  36  o 34.99741 10.30230 29.59241       15.75320 21.54000       24.07677 35.62000       20.83087 32.00914 12.57043 37.65366 11.99579 -5.644524      17.37569 
1 1 1 6  1  37  o 44.52884 9.198548 47.44353       16.21670 49.14000       23.30128 45.85000       22.58332 42.78703 12.51184 41.43102 12.37041 1.356010       17.59469 
1 1 1 6  1  38  o 39.42371 9.691423 38.98946       15.53265 29.59000       22.41669 47.67000       21.54236 33.29265 12.35476 41.67545 11.98463 -8.382793      17.21254 
1 1 1 6  1  39  o 21.73047 9.378232 4.267001       15.21351 -2.528000      22.28293 10.20000       20.82163 23.01254 10.53044 25.79464 11.04941 -2.782106      15.26367 
1 1 1 6  1  40  o 21.71104 9.442703 3.722086       15.66708 23.76000       22.52082 -15.07000      21.80949 30.52650 12.10467 20.26197 9.634744 10.26453       15.47098 
1 1 1 6  1  41  o 20.49591 9.153910 0.8119795      15.67164 -18.83000      22.77029 18.49000       21.60194 19.77587 9.520475 27.95866 11.56914 -8.182791      14.98280 
1 1 1 6  1  42  o 19.76072 9.008439 -1.311867      16.10876 0.4752000      23.41019 -2.919000      22.20038 23.01292 10.62612 21.91426 10.19764 1.098665       14.72774 
1 1 1 6  2  -42 o 48.08635 6.944050 54.90541       13.27727 48.59000       25.49434 57.25579       15.55292 37.30058 13.27129 47.85357 8.234236 -10.55300      15.61825 
1 1 1 6  2  -41 o 37.26804 5.892733 31.67358       8.693811 25.70212       10.72147 43.13825       14.85577 32.04813 8.152134 40.96794 9.093156 -8.919811      12.21240 
1 1 1 6  2  -40 o 39.39566 4.485079 33.62281       7.106388 36.34320       8.143004 24.93206       14.55453 40.72095 4.987637 30.94826 10.04304 9.772696       11.21334 
1 1 1 6  2  -39 o 24.53441 6.629464 13.97612       6.816739 11.79777       7.827638 20.81369       13.86814 22.68767 7.365355 28.86039 9.816666 -6.172720      12.27255 
1 1 1 6  2  -38 o 24.09527 7.003871 13.49646       7.320932 13.34154       8.086886 14.20000       17.23359 23.95321 7.453235 26.27168 10.53180 -2.318472      12.90230 
1 1 1 6  2  -37 o 55.47518 4.461196 65.66906       10.04847 73.00000       12.53717 52.50000       16.80340 58.01455 5.337401 46.69926 9.114722 11.31529       10.56248 
1 1 1 6  2  -36 o 30.95772 6.739165 21.64875       8.299850 22.97000       10.02519 18.77000       14.79800 31.50662 7.810150 28.75956 10.12230 2.747063       12.78512 
1 1 1 6  2  -35 o 41.42374 9.572228 40.46968       15.91034 21.27000       23.84803 55.87000       21.35848 32.11008 12.53985 47.86651 11.11147 -15.75644      16.75448 
1 1 1 6  2  -34 o 24.15611 9.918785 6.878806       15.71655 17.67000       26.19251 0.8075000      19.64642 32.00166 12.92937 24.16431 10.54093 7.837349       16.68172 
1 1 1 6  2  -33 o 37.31062 10.28647 32.21667       16.22108 25.68000       27.77561 35.60000       19.98283 35.60218 13.63210 38.90335 11.64130 -3.301178      17.92635 
1 1 1 6  2  -32 o 30.18998 10.64030 18.60814       16.35543 39.61000       29.98941 9.717000       19.51272 41.57198 14.42514 27.56661 11.15164 14.00536       18.23304 
1 1 1 6  2  -31 o 53.31245 8.755442 62.16409       18.45019 83.43000       35.74384 54.44000       21.54185 59.07523 14.80698 48.99574 11.00684 10.07949       18.44986 
1 1 1 6  2  -30 o 88.78991 5.631025 164.4456       20.36724 192.4000       37.67224 152.9000       24.21064 94.34054 9.899391 85.17139 7.003884 9.169151       12.12651 
1 1 1 6  2  -29 o 166.9077 4.406610 574.9825       30.09021 501.2000       46.43303 628.4000       39.50864 154.7079 7.350789 174.0873 5.549525 -19.37933      9.210392 
1 1 1 6  2  -28 o 116.0089 5.059319 278.1919       23.97521 257.5000       40.56543 289.3000       29.72184 110.4405 9.049522 118.0349 6.170949 -7.594429      10.95329 
1 1 1 6  2  -27 o 193.0956 4.395976 766.9617       34.75778 820.6000       55.52502 732.4000       44.57063 198.9659 6.825418 188.2856 5.787932 10.68033       8.949106 
1 1 1 6  2  -26 o 46.21508 11.19748 46.50912       20.96459 20.61000       37.51514 58.27000       25.28041 39.63461 15.65242 51.63127 12.15974 -11.99666      19.82063 
1 1 1 6  2  -25 o 116.2224 5.241755 278.2403       24.88122 253.0000       41.50423 292.4000       31.08657 110.0805 9.294600 118.9740 6.404722 -8.893417      11.28761 
1 1 1 6  2  -24 o 126.2640 4.909010 327.8304       25.33200 289.4000       40.36535 352.8000       32.53692 118.1049 8.401588 130.8416 6.089743 -12.73676      10.37650 
1 1 1 6  2  -23 o 136.9953 4.599778 385.4928       25.76621 410.8000       41.24906 369.3000       32.99532 141.1073 7.162470 133.9255 6.032272 7.181870       9.364256 
1 1 1 6  2  -22 o 332.1539 6.900954 2268.000       93.85835 0.000000       0.000000 2268.000       93.85835 ?        ?        332.1539 6.900954 ?              ?        
1 1 1 6  2  -21 o 179.7407 5.579113 663.6000       41.01189 0.000000       0.000000 663.6000       41.01189 ?        ?        179.7407 5.579113 ?              ?        
1 1 1 6  2  -20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  2  -19 o 395.4666 5.501936 3207.045       89.09425 3205.000       127.4439 3209.000       124.6008 395.0105 7.879270 395.2862 7.698123 -0.2756958     11.01563 
1 1 1 6  2  -18 o 270.6705 4.381633 1501.187       48.56254 1534.000       71.43958 1473.000       66.21340 273.4863 6.379387 268.0182 6.033332 5.468079       8.780528 
1 1 1 6  2  -17 o 162.2219 3.914885 539.0847       26.00476 517.4000       38.78173 556.8000       35.05289 158.7545 5.976583 164.7486 5.202626 -5.994034      7.923816 
1 1 1 6  2  -16 o 450.4979 6.019166 4159.913       111.0334 4167.000       158.0109 4153.000       156.0571 450.6137 8.563638 449.8674 8.471779 0.7462769      12.04603 
1 1 1 6  2  -15 o 308.9494 4.611388 1955.418       58.33691 1897.000       81.76100 2016.000       83.26115 304.2022 6.563862 313.6033 6.483916 -9.401062      9.226346 
1 1 1 6  2  -14 o 303.7995 4.560602 1890.724       56.73272 1935.000       82.49855 1851.000       78.14289 307.2380 6.557631 300.5068 6.350541 6.731140       9.128631 
1 1 1 6  2  -13 o 526.0791 9.692774 5682.000       208.7967 5682.000       208.7967 0.000000       0.000000 526.0791 9.692774 ?        ?        ?              ?        
1 1 1 6  2  -12 o 262.6031 4.178484 1412.640       44.93067 1360.000       62.75621 1468.000       64.35716 257.5914 5.949780 267.6278 5.872746 -10.03638      8.359966 
1 1 1 6  2  -11 o 391.9897 7.571147 3152.000       121.5236 0.000000       0.000000 3152.000       121.5236 ?        ?        391.9897 7.571147 ?              ?        
1 1 1 6  2  -10 o 270.9508 5.912229 1505.000       65.59429 0.000000       0.000000 1505.000       65.59429 ?        ?        270.9508 5.912229 ?              ?        
1 1 1 6  2  -9  o 184.4410 5.065841 697.7000       38.22276 0.000000       0.000000 697.7000       38.22276 ?        ?        184.4410 5.065841 ?              ?        
1 1 1 6  2  -8  o 484.6545 6.340495 4817.000       125.8287 4698.000       174.1437 4947.000       182.0146 478.2490 8.892610 490.7294 9.058156 -12.48041      12.69365 
1 1 1 6  2  -7  o 236.3353 5.526780 1145.000       53.48416 1145.000       53.48416 0.000000       0.000000 236.3353 5.526780 ?        ?        ?              ?        
1 1 1 6  2  -6  o 220.1212 5.329753 993.2000       48.03894 993.2000       48.03894 0.000000       0.000000 220.1212 5.329753 ?        ?        ?              ?        
1 1 1 6  2  -5  o 110.5269 5.044311 250.9000       22.76921 250.9000       22.76921 0.000000       0.000000 110.5269 5.044311 ?        ?        ?              ?        
1 1 1 6  2  -4  o 218.6069 3.727417 978.9772       33.36539 935.3000       46.10597 1027.000       48.34520 213.6130 5.271145 223.8398 5.274627 -10.22672      7.456987 
1 1 1 6  2  -3  o 459.7096 6.046735 4333.159       113.8227 4304.000       160.0466 4363.000       161.9088 457.8239 8.537362 460.9446 8.578222 -3.120728      12.10258 
1 1 1 6  2  -2  f 467.7836 6.133324 4486.798       117.4804 4370.000       162.4057 4615.000       170.1494 461.3210 8.597527 474.0489 8.765626 -12.72787      12.27818 
1 1 1 6  2  -1  o 283.9310 4.241946 1651.692       49.31764 1691.000       70.97754 1615.000       68.57581 287.1849 6.035800 280.6617 5.967100 6.523193       8.487472 
1 1 1 6  2  0   o 117.4192 3.352098 282.6301       16.10036 285.2000       23.09447 280.2000       22.45759 117.8753 4.794772 116.8415 4.703599 1.033867       6.716672 
1 1 1 6  2  1   o 155.2253 3.351499 493.5287       21.30227 515.6000       30.68669 473.0000       29.59489 158.5529 4.731925 151.8536 4.765464 6.699249       6.715710 
1 1 1 6  2  2   f 243.2372 3.885736 1212.039       38.70150 1231.000       55.42773 1194.000       54.06219 245.0571 5.523767 241.3490 5.470458 3.708115       7.774182 
1 1 1 6  2  3   o 87.44446 3.532561 156.8865       12.62268 160.0000       18.04004 153.9000       17.66809 88.21521 5.014901 86.51218 5.008977 1.703026       7.087954 
1 1 1 6  2  4   o 234.7334 3.089063 1128.538       29.69109 1140.222       36.58621 1106.000       50.81479 235.9218 3.787258 232.2860 5.342477 3.635834       6.548693 
1 1 1 6  2  5   o 482.0134 5.123296 4762.086       101.1191 4727.482       123.0657 4834.000       177.4120 480.1270 6.259742 485.0881 8.931778 -4.961060      10.90693 
1 1 1 6  2  6   o 284.5334 5.954497 1660.000       69.37497 1660.000       69.37497 0.000000       0.000000 284.5334 5.954497 ?        ?        ?              ?        
1 1 1 6  2  7   o 109.9408 3.178617 247.7750       14.29437 231.0000       19.78318 266.1000       20.67702 106.0765 4.565312 113.8720 4.443047 -7.795471      6.370459 
1 1 1 6  2  8   o 203.1706 2.880372 845.4037       23.96259 846.7911       29.47663 842.7000       41.14777 203.3195 3.540581 202.7776 4.955664 0.5418701      6.090510 
1 1 1 6  2  9   o 373.8231 4.163054 2862.986       63.72395 2863.988       78.16325 2861.000       110.0426 373.8251 5.106340 373.4437 7.196332 0.3813782      8.823938 
1 1 1 6  2  10  o 250.6056 3.192903 1286.293       32.76430 1286.442       40.25161 1286.000       56.40434 250.5961 3.922696 250.4843 5.499303 0.1118164      6.754989 
1 1 1 6  2  11  o 319.6879 4.553393 2093.879       59.60542 2073.000       84.05392 2115.000       84.53773 317.9773 6.455613 321.1842 6.427943 -3.206970      9.110070 
1 1 1 6  2  12  o 105.1560 3.337964 226.6997       14.35455 224.8000       21.22878 228.3000       19.48406 104.6273 4.969338 105.4675 4.522168 -0.8402100     6.718953 
1 1 1 6  2  13  o 186.7766 3.441142 714.4822       26.31780 701.4000       37.55985 727.1000       36.88724 184.9574 4.963872 188.3271 4.787305 -3.369736      6.896254 
1 1 1 6  2  14  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  2  15  o 207.5932 2.943249 882.5331       25.01869 886.5662       31.14781 875.2000       42.00048 208.0527 3.656199 206.6806 4.962839 1.372070       6.164216 
1 1 1 6  2  16  o 299.3868 3.572851 1835.852       43.79978 1814.986       53.55475 1878.000       76.11650 297.6494 4.394086 302.6830 6.141385 -5.033600      7.551464 
1 1 1 6  2  17  o 443.7407 4.785705 4034.752       86.95599 4049.684       107.1818 4006.000       148.7348 444.4652 5.889234 441.7956 8.221799 2.669556       10.11341 
1 1 1 6  2  18  o 314.4229 3.703990 2025.253       47.68793 2054.521       59.56481 1973.000       79.58713 316.6365 4.594141 310.1699 6.266409 6.466583       7.770072 
1 1 1 6  2  19  o 310.1112 4.501693 1971.025       57.16335 1982.000       82.73595 1961.000       79.07090 310.7938 6.501261 309.1693 6.245913 1.624481       9.015421 
1 1 1 6  2  20  o 72.70308 5.124266 108.9335       15.15716 108.9335       15.15716 0.000000       0.000000 72.70308 5.124266 ?        ?        ?              ?        
1 1 1 6  2  21  o 254.1598 5.932627 1326.000       61.74166 1326.000       61.74166 0.000000       0.000000 254.1598 5.932627 ?        ?        ?              ?        
1 1 1 6  2  22  o 145.1557 3.963797 432.2843       23.53766 432.2843       23.53766 0.000000       0.000000 145.1557 3.963797 ?        ?        ?              ?        
1 1 1 6  2  23  o 111.4332 4.624336 255.2115       21.05444 255.2115       21.05444 0.000000       0.000000 111.4332 4.624336 ?        ?        ?              ?        
1 1 1 6  2  24  o 144.7817 6.190416 431.9000       36.61462 431.9000       36.61462 0.000000       0.000000 144.7817 6.190416 ?        ?        ?              ?        
1 1 1 6  2  25  o 39.79591 9.677557 34.17193       15.61561 36.35000       27.81976 33.17000       18.86847 42.29220 13.89529 39.37453 11.18199 2.917671       17.83580 
1 1 1 6  2  26  o 96.14211 4.920826 190.6050       19.30763 190.6050       19.30763 0.000000       0.000000 96.14211 4.920826 ?        ?        ?              ?        
1 1 1 6  2  27  o 69.72540 4.462036 100.4193       12.67253 97.91486       16.17498 104.4000       20.39232 68.63539 5.809869 70.62473 7.149956 -1.989342      9.212842 
1 1 1 6  2  28  o 78.05756 3.970131 125.6615       12.64782 127.3781       15.80074 122.6000       21.10114 78.43395 4.944987 76.55880 6.801834 1.875153       8.409390 
1 1 1 6  2  29  o 159.2279 3.060150 520.9368       19.95199 516.8571       24.38493 529.2000       34.70398 158.4596 3.758190 159.8282 5.310128 -1.368591      6.505494 
1 1 1 6  2  30  o 115.4755 3.356448 274.6858       15.85379 279.7000       19.99648 266.2000       26.01353 116.3241 4.205083 113.0483 5.637458 3.275818       7.033041 
1 1 1 6  2  31  o 34.51375 5.216069 25.30485       7.141803 25.98753       7.813771 21.84000       17.60325 34.87901 5.665287 32.37811 11.05897 2.500908       12.42563 
1 1 1 6  2  32  o 73.92974 5.557125 115.0157       16.69949 132.0000       29.36819 106.9000       20.30095 77.34771 9.469996 70.65079 7.114137 6.696922       11.84448 
1 1 1 6  2  33  o 105.8574 4.652988 234.2541       20.11941 222.6000       33.38601 240.9000       25.21163 101.0751 8.135362 106.7535 5.789255 -5.678322      9.984968 
1 1 1 6  2  34  o 83.57716 5.438491 148.1007       18.51081 106.1000       30.41906 172.8000       23.32707 66.80371 11.53741 89.73004 6.390722 -22.92633      13.18913 
1 1 1 6  2  35  o 31.74372 10.36001 23.51073       15.47608 38.93000       24.96744 13.89000       19.72178 39.17286 13.17240 28.25993 11.28754 10.91292       17.34706 
1 1 1 6  2  36  o 27.66291 10.26867 16.32625       15.48786 2.496000       23.28492 27.30000       20.74137 25.67514 11.32869 33.48854 11.96441 -7.813396      16.47684 
1 1 1 6  2  37  o 28.05698 10.26100 18.13807       15.36830 17.67000       22.76522 18.53000       20.83141 29.34357 11.98030 29.24100 11.62665 0.1025677      16.69450 
1 1 1 6  2  38  o 24.03904 9.849756 9.980356       15.45669 25.39000       24.16742 -0.6859000     20.10666 31.49877 12.52349 22.60875 10.21017 8.890026       16.15813 
1 1 1 6  2  39  o 17.22860 8.138212 -11.53568      15.07135 -40.06000      23.30748 8.962000       19.75787 17.56240 8.695010 25.07427 10.75259 -7.511868      13.82828 
1 1 1 6  2  40  o 21.59958 9.428700 3.549808       15.74270 -23.37000      24.22820 23.22000       20.71045 19.98909 9.671619 30.00249 11.69474 -10.01340      15.17588 
1 1 1 6  2  41  o 29.75679 10.74836 24.42782       16.79111 7.230000       25.54013 37.52000       22.28397 25.36648 11.47647 34.69635 12.40074 -9.329868      16.89638 
1 1 1 6  2  42  o 26.86985 10.55350 19.10941       16.97219 54.19000       25.59823 -8.409000      22.67192 39.54006 13.33791 20.93166 9.915379 18.60840       16.61970 
1 1 1 6  3  -41 o 23.28815 9.240907 11.93153       13.13392 17.90000       24.78780 9.601862       15.48649 27.44480 11.90740 22.96926 9.670852 4.475542       15.33987 
1 1 1 6  3  -40 o 15.96805 6.518095 3.228093       6.737107 4.797337       7.527051 -3.093037      15.10696 17.47685 6.975734 19.08384 8.709059 -1.606991      11.15834 
1 1 1 6  3  -39 o 58.77257 4.077664 73.66183       9.752350 59.91400       12.15656 98.48513       16.33516 51.91472 5.818686 66.46095 6.069419 -14.54622      8.408029 
1 1 1 6  3  -38 o 60.83841 3.974564 78.69460       9.847076 76.82701       12.66264 81.55193       15.66259 59.29050 5.270598 60.17712 6.457225 -0.8866234     8.335164 
1 1 1 6  3  -37 o 55.29367 4.175573 65.13129       9.384140 60.76680       12.39569 70.99102       14.36292 52.42017 5.875961 56.37460 6.331374 -3.954430      8.637895 
1 1 1 6  3  -36 o 30.12164 7.457006 21.05046       9.147978 15.14926       10.45979 40.25000       18.86679 25.76139 8.522815 39.55677 11.16375 -13.79537      14.04520 
1 1 1 6  3  -35 o 40.82451 9.206510 39.34220       15.02183 62.66000       23.93092 24.18000       19.29731 49.82169 11.89533 32.18431 11.53554 17.63737       16.57008 
1 1 1 6  3  -34 o 34.22245 10.09908 27.66120       15.12227 27.93000       24.69879 27.50000       19.12637 34.92196 12.96670 34.15172 11.52919 0.7702332      17.35102 
1 1 1 6  3  -33 o 80.39316 3.621931 134.3280       11.89233 137.8632       13.98601 125.1000       22.59632 81.23141 4.219261 75.82641 7.370564 5.405006       8.492784 
1 1 1 6  3  -32 o 21.36120 8.116127 7.464000       9.796828 7.464000       9.796828 0.000000       0.000000 21.36120 8.116127 ?        ?        ?              ?        
1 1 1 6  3  -31 o 52.84758 5.595408 59.01000       11.92454 59.01000       11.92454 0.000000       0.000000 52.84758 5.595408 ?        ?        ?              ?        
1 1 1 6  3  -30 o 41.41795 6.737611 36.85000       11.03427 36.85000       11.03427 0.000000       0.000000 41.41795 6.737611 ?        ?        ?              ?        
1 1 1 6  3  -29 o 56.60943 4.565957 66.63757       10.49416 64.61861       11.86887 73.87000       22.46395 55.59524 5.276897 58.14555 9.781982 -2.550308      11.11453 
1 1 1 6  3  -28 o 88.98727 3.876219 163.3101       14.09021 168.0000       16.89593 152.6000       25.53253 90.12752 4.593408 85.19474 7.392174 4.932777       8.703081 
1 1 1 6  3  -27 o 68.52914 4.498740 97.12354       12.55400 98.84000       14.79045 92.70000       23.74378 69.00641 5.274376 65.94456 9.030120 3.061852       10.45763 
1 1 1 6  3  -26 o 158.9130 3.290832 518.3315       21.41360 505.8650       26.05130 544.3000       37.59943 156.8355 4.059999 162.3482 5.664678 -5.512711      6.969374 
1 1 1 6  3  -25 o 219.6757 4.563009 991.7774       41.04477 991.9000       65.98551 991.7000       52.42016 218.8996 7.372240 219.3244 5.842166 -0.4248505     9.406425 
1 1 1 6  3  -24 o 233.8748 4.604209 1123.321       44.09232 1040.000       67.29423 1186.000       58.36635 224.3856 7.334023 240.0657 5.937561 -15.68010      9.436234 
1 1 1 6  3  -23 o 261.3956 4.603452 1402.417       49.27269 1407.000       75.39851 1399.000       65.09551 261.2897 7.053645 260.8319 6.094891 0.4577637      9.322103 
1 1 1 6  3  -22 o 53.21685 9.373636 60.17675       19.68006 31.12000       39.18257 69.98000       22.75906 43.70850 16.31199 57.36022 10.05634 -13.65172      19.16275 
1 1 1 6  3  -21 o 53.37903 9.027772 60.33189       19.02941 63.44000       36.71187 59.19000       22.25215 54.44879 15.64126 52.57953 10.69989 1.869263       18.95090 
1 1 1 6  3  -20 o 129.9420 4.476650 346.6235       23.78363 382.1000       40.97653 328.6000       29.20685 136.1380 7.378322 126.4112 5.656872 9.726746       9.297302 
1 1 1 6  3  -19 o 97.42538 4.991778 195.1507       19.84731 227.3000       34.39365 179.1000       24.30185 104.8393 8.073944 93.18803 6.407763 11.65129       10.30767 
1 1 1 6  3  -18 o 224.0448 4.094361 1028.629       37.56171 1012.000       55.16746 1043.000       51.28530 222.0229 6.073920 225.5184 5.553751 -3.495529      8.230228 
1 1 1 6  3  -17 o 250.3678 4.217932 1284.410       43.24167 1264.000       62.63255 1303.000       59.77349 248.2564 6.161340 252.0827 5.790835 -3.826233      8.455523 
1 1 1 6  3  -16 o 121.4421 4.039136 302.4717       20.05754 283.7000       30.92640 316.1000       26.35107 117.4446 6.455731 124.0824 5.197885 -6.637756      8.288213 
1 1 1 6  3  -15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  3  -14 o 651.3019 8.240675 8702.738       219.7706 8832.000       315.5674 8581.000       306.2472 655.4210 11.75838 646.0822 11.57604 9.338806       16.50043 
1 1 1 6  3  -13 o 68.45727 5.189676 96.57220       14.43899 118.0000       22.58505 81.76000       18.77768 75.49825 7.400636 62.70376 7.459531 12.79449       10.50781 
1 1 1 6  3  -12 o 80.09290 4.496397 131.8248       14.68709 159.7000       23.43724 113.8000       18.84662 88.02285 6.549532 74.25071 6.256981 13.77214       9.057935 
1 1 1 6  3  -11 o 375.4906 5.207285 2888.958       80.06356 2788.000       110.3912 3001.000       116.2932 368.7276 7.311462 382.5442 7.424177 -13.81662      10.41997 
1 1 1 6  3  -10 o 334.9208 4.797601 2298.221       65.79467 2270.000       92.59636 2327.000       93.50574 332.7374 6.796227 336.8903 6.778371 -4.152893      9.598700 
1 1 1 6  3  -9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  3  -8  o 203.7565 3.707281 850.4111       30.93082 798.3000       42.77865 907.5000       44.77519 197.2939 5.300083 210.4352 5.196306 -13.14130      7.422431 
1 1 1 6  3  -7  o 87.79874 3.899786 158.2246       13.98519 130.2000       19.69962 186.7000       19.85742 79.45726 6.101487 95.31063 5.106761 -15.85337      7.956579 
1 1 1 6  3  -6  o 157.1706 3.312351 505.9678       21.31730 504.1000       29.19741 508.1000       31.19619 156.7846 4.552781 157.3887 4.846424 -0.6041412     6.649484 
1 1 1 6  3  -5  o 309.3921 4.477509 1961.391       56.72443 1987.000       80.39170 1936.000       80.05029 311.2814 6.307158 307.2563 6.362647 4.025116       8.958990 
1 1 1 6  3  -4  o 510.1108 6.604300 5337.145       137.9481 5586.000       202.5860 5122.000       188.3655 521.3666 9.489466 499.2969 9.213362 22.06967       13.22634 
1 1 1 6  3  -3  o 142.2172 2.724505 414.2220       15.86588 415.9924       19.44909 410.7000       27.43140 142.5099 3.332959 141.4877 4.741534 1.022156       5.795753 
1 1 1 6  3  -2  o 219.7690 3.017078 989.2193       27.15047 989.9695       33.18281 987.7000       47.22472 219.8317 3.686366 219.5154 5.253879 0.3163452      6.418141 
1 1 1 6  3  -1  o 52.01268 4.535823 55.85555       9.563745 55.85555       9.563745 0.000000       0.000000 52.01268 4.535823 ?        ?        ?              ?        
1 1 1 6  3  0   o 406.5894 5.467037 3388.822       91.01908 3388.822       91.01908 0.000000       0.000000 406.5894 5.467037 ?        ?        ?              ?        
1 1 1 6  3  1   o 182.2932 3.436948 680.6904       25.65475 680.6904       25.65475 0.000000       0.000000 182.2932 3.436948 ?        ?        ?              ?        
1 1 1 6  3  2   o 353.1624 4.015397 2555.265       58.06673 2552.916       71.02309 2560.000       100.8415 352.9409 4.914430 353.2500 6.971605 -0.3091125     8.529648 
1 1 1 6  3  3   o 301.6210 4.411633 1864.103       54.48604 1924.000       79.09108 1810.000       75.16830 306.2989 6.306053 297.0958 6.178936 9.203094       8.828678 
1 1 1 6  3  4   o 514.2816 6.651690 5424.917       140.0739 5627.000       204.7104 5247.000       192.0811 523.2631 9.554226 505.3393 9.282762 17.92380       13.32115 
1 1 1 6  3  5   o 171.0119 3.413835 599.0339       23.90525 589.6000       33.95985 608.3000       33.65645 169.5473 4.896724 172.2246 4.777144 -2.677292      6.840981 
1 1 1 6  3  6   o 181.4477 4.945624 675.2000       36.71062 675.2000       36.71062 0.000000       0.000000 181.4477 4.945624 ?        ?        ?              ?        
1 1 1 6  3  7   o 161.9382 3.378322 537.1306       22.40138 512.5000       31.57271 562.1000       31.78907 158.0695 4.883832 165.5600 4.693930 -7.490479      6.773831 
1 1 1 6  3  8   o 495.2948 5.249183 5027.430       106.4584 4976.699       129.3385 5134.000       187.4604 492.6713 6.411301 500.0187 9.155856 -7.347412      11.17741 
1 1 1 6  3  9   o 133.9738 2.691776 367.5692       14.76669 368.2718       18.40571 366.3000       24.73746 134.0928 3.352144 133.6363 4.527244 0.4565887      5.633187 
1 1 1 6  3  10  o 198.7350 2.897577 808.8303       23.57945 810.8766       29.20684 805.0000       39.95807 198.9724 3.584820 198.2147 4.923163 0.7576599      6.090030 
1 1 1 6  3  11  o 218.3116 3.015948 976.0337       26.96032 936.4319       32.52457 1063.000       48.19806 213.8219 3.714797 227.7706 5.167821 -13.94873      6.364439 
1 1 1 6  3  12  o 307.2018 3.642861 1932.889       45.82377 1898.193       55.64454 2006.000       80.77471 304.4032 4.464254 312.8395 6.305645 -8.436279      7.725977 
1 1 1 6  3  13  o 279.4105 3.446231 1598.926       39.42861 1536.245       47.33380 1741.000       71.26247 273.8556 4.221097 291.4603 5.971138 -17.60468      7.312465 
1 1 1 6  3  14  o 430.6563 4.679318 3799.666       82.51593 3801.538       101.4235 3796.000       141.9126 430.6892 5.751092 430.1672 8.056739 0.5220032      9.898793 
1 1 1 6  3  15  o 75.70824 3.259616 117.6088       10.08127 102.3742       13.24359 138.6000       15.54565 70.53731 4.610513 82.11745 4.642172 -11.58014      6.542675 
1 1 1 6  3  16  o 294.6149 3.564528 1777.935       43.00126 1728.047       52.06466 1885.000       76.27216 290.4160 4.378226 303.2100 6.143250 -12.79398      7.543765 
1 1 1 6  3  17  o 446.1852 5.927661 4082.447       108.2986 4082.447       108.2986 0.000000       0.000000 446.1852 5.927661 ?        ?        ?              ?        
1 1 1 6  3  18  o 265.0609 4.178075 1439.782       45.34677 1439.782       45.34677 0.000000       0.000000 265.0609 4.178075 ?        ?        ?              ?        
1 1 1 6  3  19  o 77.77450 4.922701 124.5305       15.59664 124.5305       15.59664 0.000000       0.000000 77.77450 4.922701 ?        ?        ?              ?        
1 1 1 6  3  20  o 59.65407 6.276725 73.87289       15.10249 73.87289       15.10249 0.000000       0.000000 59.65407 6.276725 ?        ?        ?              ?        
1 1 1 6  3  21  o 259.5475 4.250699 1381.348       45.17537 1381.348       45.17537 0.000000       0.000000 259.5475 4.250699 ?        ?        ?              ?        
1 1 1 6  3  22  o 339.3107 4.939639 2362.936       68.63049 2362.936       68.63049 0.000000       0.000000 339.3107 4.939639 ?        ?        ?              ?        
1 1 1 6  3  23  o 99.32221 4.998135 203.0739       20.26193 203.0739       20.26193 0.000000       0.000000 99.32221 4.998135 ?        ?        ?              ?        
1 1 1 6  3  24  o 209.3684 6.158584 903.2000       52.74049 903.2000       52.74049 0.000000       0.000000 209.3684 6.158584 ?        ?        ?              ?        
1 1 1 6  3  25  o 121.8667 4.699215 305.7426       23.40561 305.7426       23.40561 0.000000       0.000000 121.8667 4.699215 ?        ?        ?              ?        
1 1 1 6  3  26  o 204.5114 6.329556 865.1000       52.94100 865.1000       52.94100 0.000000       0.000000 204.5114 6.329556 ?        ?        ?              ?        
1 1 1 6  3  27  o 218.9537 6.492835 994.4000       58.14751 994.4000       58.14751 0.000000       0.000000 218.9537 6.492835 ?        ?        ?              ?        
1 1 1 6  3  28  o 184.1743 4.048591 698.5878       30.53214 698.5878       30.53214 0.000000       0.000000 184.1743 4.048591 ?        ?        ?              ?        
1 1 1 6  3  29  o 56.58634 6.974383 67.91603       15.81846 66.22000       31.25615 68.50000       18.34067 53.57215 14.07027 56.47981 8.167301 -2.907661      16.26891 
1 1 1 6  3  30  o 32.55849 8.285727 23.36691       11.07222 11.63475       15.32182 36.19000       16.01835 26.67548 10.14644 40.22721 9.813333 -13.55174      14.11566 
1 1 1 6  3  31  o 50.18562 5.513763 53.22555       11.14417 52.15585       14.93335 54.57000       16.74168 48.97023 7.701314 49.80901 8.514217 -0.8387794     11.48051 
1 1 1 6  3  32  o 38.94346 6.371762 32.84771       9.809529 34.11477       12.19043 30.52000       16.52287 39.20015 7.868364 36.41928 10.50296 2.780865       13.12339 
1 1 1 6  3  33  o 61.87585 4.093240 80.03503       10.31252 77.95563       12.25134 85.09000       19.10174 60.76919 4.966809 62.27908 7.651006 -1.509884      9.121792 
1 1 1 6  3  34  o 21.14317 7.204737 9.206972       7.470584 13.22254       8.258713 -8.871000      17.52321 24.46203 7.518525 20.17290 9.270755 4.289124       11.93629 
1 1 1 6  3  35  o 71.65704 5.782735 110.6476       16.82345 94.18000       27.49712 120.5000       21.26878 62.04465 11.23688 73.87406 7.119219 -11.82941      13.30228 
1 1 1 6  3  36  o 45.55502 8.596330 48.84146       15.44743 46.56000       24.43624 50.36000       19.93617 41.17822 12.97704 44.47913 11.00659 -3.300911      17.01613 
1 1 1 6  3  37  o 23.01524 9.741879 6.599681       15.85119 -6.738000      24.73828 15.89000       20.64642 23.36452 10.83559 27.87905 11.39895 -4.514526      15.72724 
1 1 1 6  3  38  o 31.67025 10.74038 26.30678       16.59952 24.84000       25.46875 27.39000       21.88682 31.25129 12.70444 31.97060 12.13478 -0.7193089     17.56860 
1 1 1 6  3  39  o 33.96338 10.71594 30.82046       16.65803 9.581000       25.60365 46.41000       21.93547 26.87839 11.86862 40.24106 12.23110 -13.36267      17.04300 
1 1 1 6  3  40  o 24.17038 10.07292 10.74753       16.54121 21.40000       25.97104 3.477000       21.45594 29.38948 12.45616 23.60764 10.61418 5.781841       16.36511 
1 1 1 6  3  41  o 21.59726 9.635110 3.410082       17.31215 -18.93000      26.46062 20.13000       22.89152 20.83870 10.08862 27.87627 11.74850 -7.037579      15.48572 
1 1 1 6  4  -41 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  4  -40 o 41.46597 8.596498 43.41771       14.11651 47.78000       26.73874 41.73199       16.62173 37.24808 13.54807 38.94302 10.27614 -1.694935      17.00439 
1 1 1 6  4  -39 o 44.95469 5.387515 44.75500       9.719874 26.04727       11.95831 81.17799       16.68579 32.15749 8.818740 59.28719 7.008588 -27.12970      11.26457 
1 1 1 6  4  -38 o 29.73335 7.520836 21.06411       9.161512 18.35534       11.39688 26.01143       15.40225 27.41901 8.886246 31.62282 10.33621 -4.203814      13.63094 
1 1 1 6  4  -37 o 43.68944 7.075296 44.03391       12.22492 45.32000       23.33418 43.54736       14.35227 39.45900 12.70895 42.37727 8.566032 -2.918266      15.32626 
1 1 1 6  4  -36 o 25.74382 9.930034 13.85422       14.81326 28.79000       21.89132 1.239000       20.11896 33.14870 12.22582 23.35687 10.40563 9.791834       16.05453 
1 1 1 6  4  -35 o 40.61362 6.601597 36.85025       10.60188 25.80269       12.49988 65.17000       20.01325 32.82143 9.022369 52.06102 9.746279 -19.23959      13.28131 
1 1 1 6  4  -34 o 26.26562 8.337311 15.50419       10.07004 11.27187       11.78430 26.96000       19.38777 24.08099 8.953714 33.59658 11.60142 -9.515587      14.65476 
1 1 1 6  4  -33 o 50.51918 5.796480 54.89740       11.77377 68.02000       14.72195 31.61000       19.61173 55.94614 6.550318 36.26954 11.64836 19.67660       13.36379 
1 1 1 6  4  -32 o 46.53089 6.092349 46.60802       11.32927 46.74000       14.02347 46.36000       19.22340 45.94724 7.727686 44.39461 10.70110 1.552635       13.19965 
1 1 1 6  4  -31 f 89.34979 4.901531 167.1000       17.86418 167.1000       17.86418 0.000000       0.000000 89.34979 4.901531 ?        ?        ?              ?        
1 1 1 6  4  -30 o 69.35364 4.312145 100.0576       12.18522 106.4000       15.11867 88.30000       20.58474 71.27039 5.216734 63.88174 8.047652 7.388645       9.590569 
1 1 1 6  4  -29 f 89.69295 3.650244 166.1587       13.37816 158.7398       16.42142 180.8000       23.06921 87.43808 4.602755 92.85680 6.101086 -5.418724      7.642552 
1 1 1 6  4  -28 o 169.1666 3.250862 588.6071       22.51840 567.5693       27.73504 629.3000       38.57342 165.8958 4.082902 174.1259 5.416625 -8.230087      6.783061 
1 1 1 6  4  -27 o 115.1195 3.425406 272.7056       16.12879 276.0376       19.88597 266.3000       27.57260 115.6734 4.205446 113.1757 5.970893 2.497711       7.303242 
1 1 1 6  4  -26 o 124.9724 4.157518 321.7118       21.24553 321.7118       21.24553 0.000000       0.000000 124.9724 4.157518 ?        ?        ?              ?        
1 1 1 6  4  -25 o 27.52690 9.607983 14.23149       13.31445 14.23149       13.31445 0.000000       0.000000 27.52690 9.607983 ?        ?        ?              ?        
1 1 1 6  4  -24 o 315.1416 5.041289 2042.963       65.05366 2091.000       97.91296 2005.000       87.04291 317.9066 7.521706 311.5891 6.822235 6.317413       10.15475 
1 1 1 6  4  -23 o 217.9220 3.421220 973.9951       30.52857 939.5886       37.28346 1044.000       53.18147 213.9359 4.256063 225.1814 5.772468 -11.24550      7.171852 
1 1 1 6  4  -22 o 34.69158 8.239971 25.83427       11.53030 24.27621       13.36099 30.38000       22.82168 33.75102 9.347520 38.73293 12.57642 -4.981903      15.66980 
1 1 1 6  4  -21 o 132.6723 3.316490 360.7860       18.01703 368.0352       21.97031 345.9000       31.48326 133.9035 4.011528 129.6080 5.948163 4.295425       7.174469 
1 1 1 6  4  -20 o 127.8000 3.350089 334.9586       17.51608 321.8164       21.16812 363.5000       31.19499 125.2097 4.134430 132.9263 5.744817 -7.716522      7.077884 
1 1 1 6  4  -19 o 293.5278 3.696835 1765.870       44.43281 1759.858       54.34030 1778.000       77.18352 292.9490 4.530078 294.2185 6.406637 -1.269562      7.846439 
1 1 1 6  4  -18 o 68.58710 4.290668 96.80961       11.98977 89.36517       14.13551 115.9000       22.63617 65.79275 5.291567 74.72385 7.499353 -8.931107      9.178289 
1 1 1 6  4  -17 o 284.5651 3.600302 1659.167       41.95126 1630.115       50.73113 1722.000       74.60654 282.0099 4.393250 289.6759 6.289848 -7.666016      7.672212 
1 1 1 6  4  -16 o 60.20478 4.378721 74.67255       10.72072 73.04874       12.66377 78.78000       20.14096 59.45995 5.255377 61.38627 8.219151 -1.926323      9.755687 
1 1 1 6  4  -15 o 136.5985 2.984967 382.1655       16.69591 378.6124       20.21106 389.8000       29.62597 135.9011 3.635232 137.8011 5.260096 -1.900040      6.394022 
1 1 1 6  4  -14 o 432.3066 4.735503 3829.498       83.82670 3801.023       101.9293 3889.000       147.3463 430.6081 5.780860 435.2795 8.266977 -4.671387      10.08768 
1 1 1 6  4  -13 o 86.25941 3.336588 152.6219       11.76288 156.9041       14.16299 143.1000       21.11964 87.43000 3.966457 83.31707 6.235769 4.112930       7.390372 
1 1 1 6  4  -12 o 354.6805 4.066544 2576.842       59.05915 2543.695       71.50365 2648.000       104.7652 352.3489 4.955996 359.3576 7.119765 -7.008698      8.674847 
1 1 1 6  4  -11 o 366.8028 5.133104 2756.724       77.09693 2870.000       112.9779 2658.000       105.4718 374.1103 7.375124 360.0447 7.154107 14.06552       10.27491 
1 1 1 6  4  -10 o 78.00296 3.401797 124.8491       10.83923 127.2908       13.16063 119.7000       19.11153 78.72456 4.096745 76.17142 6.180491 2.553146       7.414970 
1 1 1 6  4  -9  o 209.5123 3.048297 898.9389       26.15118 906.1246       32.15469 884.9000       44.94451 210.3339 3.733453 207.7467 5.287754 2.587143       6.472944 
1 1 1 6  4  -8  o 435.5866 4.740676 3887.180       84.55498 3872.578       103.2019 3917.000       147.4775 434.6954 5.797997 436.9579 8.242552 -2.262512      10.07752 
1 1 1 6  4  -7  o 350.3616 4.015973 2514.472       57.61449 2488.617       69.95242 2569.000       101.5885 348.5126 4.901847 353.9575 7.009209 -5.444855      8.553193 
1 1 1 6  4  -6  o 575.6397 6.007263 6792.170       141.5963 6746.900       172.4028 6886.000       248.2049 573.5513 7.340873 578.9066 10.47074 -5.355225      12.78768 
1 1 1 6  4  -5  o 161.1825 3.528192 532.1241       23.28598 487.8000       32.31482 580.0000       33.58456 154.2027 5.124946 168.1742 4.882204 -13.97154      7.078205 
1 1 1 6  4  -4  o 248.2369 4.001869 1262.322       40.67744 1213.000       56.34744 1316.000       58.78299 243.2710 5.656651 253.3887 5.665524 -10.11761      8.005989 
1 1 1 6  4  -3  o 380.3162 5.231815 2964.225       81.47448 2886.000       112.9747 3049.000       117.6097 375.0844 7.355761 385.5216 7.450235 -10.43713      10.46963 
1 1 1 6  4  -2  o 434.4285 5.794665 3868.733       103.0792 3679.000       139.7679 4095.000       152.6322 423.3968 8.061861 446.6552 8.345441 -23.25842      11.60345 
1 1 1 6  4  -1  o 281.2153 3.461219 1619.817       39.85587 1585.879       48.11666 1694.000       71.13829 278.2233 4.223549 287.4511 6.043868 -9.227814      7.373378 
1 1 1 6  4  0   o 129.7029 2.741442 344.5210       14.55972 333.2942       17.75123 367.6000       25.45123 127.5171 3.402702 133.8610 4.650401 -6.343910      5.762344 
1 1 1 6  4  1   o 150.7489 3.320416 465.4584       20.49609 499.5000       29.67370 434.4000       28.34371 156.0643 4.648663 145.5232 4.763052 10.54111       6.655579 
1 1 1 6  4  2   o 396.2083 5.366082 3217.382       87.05730 3203.000       122.6184 3232.000       123.6230 395.1132 7.578962 396.8948 7.606754 -1.781586      10.73794 
1 1 1 6  4  3   o 63.62781 4.086751 83.27854       10.59124 85.11000       15.08929 81.50000       14.86969 64.17539 5.804875 62.78339 5.851433 1.391998       8.242321 
1 1 1 6  4  4   o 647.9015 6.669213 8607.701       176.9327 8692.201       218.7905 8448.000       300.7823 650.8135 8.210083 640.8918 11.46154 9.921692       14.09867 
1 1 1 6  4  5   o 233.9963 3.131355 1121.390       30.00308 1076.383       35.98648 1224.000       54.33675 229.2335 3.833864 244.3864 5.429905 -15.15286      6.646984 
1 1 1 6  4  6   o 316.6540 3.737646 2053.822       48.46270 2005.429       58.38756 2161.000       86.89163 312.8663 4.557610 324.6585 6.536222 -11.79218      7.968312 
1 1 1 6  4  7   o 124.8686 2.792459 319.3057       14.27790 337.4799       18.03636 288.8000       23.36746 128.3190 3.435771 118.6277 4.820661 9.691353       5.919738 
1 1 1 6  4  8   o 336.5694 3.901716 2320.283       53.77180 2385.133       67.32117 2206.000       89.36907 341.1997 4.818575 328.0339 6.653406 13.16574       8.215015 
1 1 1 6  4  9   o 207.1496 3.009730 878.7726       25.52914 854.0696       31.00301 930.8000       44.99300 204.2035 3.707800 213.1396 5.155328 -8.936142      6.350212 
1 1 1 6  4  10  o 507.2516 4.649623 5271.222       96.57520 5430.399       140.4032 5128.283       133.0492 514.6851 6.662099 500.1788 6.496249 14.50626       9.305097 
1 1 1 6  4  11  o 273.0556 2.953545 1526.888       33.02320 1481.394       46.12276 1574.740       47.30332 268.9225 4.188551 277.2664 4.166485 -8.343994      5.907923 
1 1 1 6  4  12  o 339.3599 3.938138 2358.960       54.72375 2459.538       69.19517 2191.000       89.41850 346.4753 4.877295 326.9106 6.679960 19.56470       8.271026 
1 1 1 6  4  13  o 29.77885 7.051949 18.91919       8.465281 35.77425       11.71037 0.4708000      12.25137 41.16812 7.209366 20.28038 8.573462 20.88774       11.20175 
1 1 1 6  4  14  o 195.7797 3.697637 785.1478       29.64260 785.1478       29.64260 0.000000       0.000000 195.7797 3.697637 ?        ?        ?              ?        
1 1 1 6  4  15  o 399.9079 4.447001 3277.032       72.82015 3179.361       87.03277 3505.000       132.9649 393.8248 5.397037 413.2144 7.858455 -19.38962      9.533275 
1 1 1 6  4  16  o 120.7202 3.055966 298.7014       15.09397 293.6946       18.79349 307.8000       25.33489 119.6646 3.840431 122.4294 5.064631 -2.764763      6.356051 
1 1 1 6  4  17  o 158.1264 3.744830 512.3453       24.24715 488.0000       35.65079 533.3000       33.07519 154.1388 5.658099 161.1969 5.017072 -7.058121      7.562082 
1 1 1 6  4  18  o 208.7326 3.140282 892.6266       26.84005 893.8174       33.25155 890.4000       45.46826 208.8340 3.888538 208.2708 5.335970 0.5631561      6.602522 
1 1 1 6  4  19  o 56.58762 5.172461 66.24218       11.85275 67.63976       15.30797 64.15000       18.72958 56.99199 6.686653 55.17767 8.567476 1.814327       10.86798 
1 1 1 6  4  20  o 54.71550 5.588219 62.10021       12.34450 52.18908       15.86256 77.32000       19.65695 49.71891 8.067908 60.74828 8.104377 -11.02937      11.43556 
1 1 1 6  4  21  o 322.1430 3.895053 2128.013       51.37909 2135.894       63.44563 2113.000       87.57479 322.6070 4.802899 320.5179 6.672712 2.089081       8.221491 
1 1 1 6  4  22  o 40.60932 8.113317 35.22165       13.01884 21.42873       17.14979 53.98000       19.99991 32.92112 10.91396 50.16868 10.08587 -17.24756      14.86067 
1 1 1 6  4  23  o 135.4267 3.425625 376.3930       18.98104 384.5512       24.48222 364.1000       30.05256 136.7849 4.376708 132.9385 5.532951 3.846451       7.054723 
1 1 1 6  4  24  o 237.5006 3.438741 1157.393       33.44172 1141.561       41.42953 1187.000       56.65358 235.7258 4.292185 240.0414 5.763904 -4.315613      7.186476 
1 1 1 6  4  25  o 121.8797 3.516214 305.2615       17.52980 330.6338       23.14145 271.1000       26.85213 126.7061 4.467337 114.4884 5.746233 12.21765       7.278481 
1 1 1 6  4  26  o 139.4401 4.288752 400.5757       24.45831 400.5757       24.45831 0.000000       0.000000 139.4401 4.288752 ?        ?        ?              ?        
1 1 1 6  4  27  o 174.0340 4.136278 623.9055       29.47598 623.9055       29.47598 0.000000       0.000000 174.0340 4.136278 ?        ?        ?              ?        
1 1 1 6  4  28  o 22.64143 9.655649 0.8258185      15.77302 0.8258185      15.77302 0.000000       0.000000 22.64143 9.655649 ?        ?        ?              ?        
1 1 1 6  4  29  f 118.4404 4.521462 290.7818       21.88795 290.7818       21.88795 0.000000       0.000000 118.4404 4.521462 ?        ?        ?              ?        
1 1 1 6  4  30  o 35.40562 10.31071 28.16249       15.85274 28.16249       15.85274 0.000000       0.000000 35.40562 10.31071 ?        ?        ?              ?        
1 1 1 6  4  31  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  4  32  o 29.99232 11.04993 18.17000       17.87477 18.17000       17.87477 0.000000       0.000000 29.99232 11.04993 ?        ?        ?              ?        
1 1 1 6  4  33  o 95.07564 5.653145 192.5000       21.90880 0.000000       0.000000 192.5000       21.90880 ?        ?        95.07564 5.653145 ?              ?        
1 1 1 6  4  34  o 31.55666 8.146657 22.99913       10.59860 22.28000       13.72866 24.06000       16.67454 30.85829 9.727137 31.98643 10.76482 -1.128147      14.50857 
1 1 1 6  4  35  o 23.65762 8.027374 12.25112       9.272747 14.03881       10.94274 7.698000       17.46364 25.20890 8.715357 24.60714 10.30929 0.6017551      13.49959 
1 1 1 6  4  36  o 19.24745 7.582864 5.994072       8.785616 4.375683       9.893579 12.03000       19.10662 19.05467 7.851647 26.28061 10.87813 -7.225939      13.41574 
1 1 1 6  4  37  o 17.05186 7.066367 3.114846       8.075450 5.671318       8.781628 -10.89000      20.55387 18.93102 7.541792 20.49776 9.626993 -1.566734      12.22938 
1 1 1 6  4  38  o 22.10259 9.660592 3.529032       16.57240 9.477000       26.06650 -0.5063000     21.47030 27.04340 11.95691 23.12132 10.48533 3.922071       15.90314 
1 1 1 6  4  39  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  4  40  o 17.20267 8.250813 -14.68451      16.74001 -27.80000      26.66595 -6.154000      21.50563 19.90567 9.744977 21.14480 9.904184 -1.239134      13.89451 
1 1 1 6  4  41  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  5  -40 o 15.77894 7.561106 -12.84541      13.98773 -3.647000      26.23321 -16.49950      16.53426 22.97363 10.81668 16.63121 8.032966 6.342421       13.47327 
1 1 1 6  5  -39 o 20.91032 8.008160 9.020859       9.586512 10.30270       11.81521 6.551097       16.40031 22.34418 8.796455 22.45521 9.714186 -0.1110344     13.10508 
1 1 1 6  5  -38 o 21.87106 9.543050 3.872621       16.11174 -16.16000      24.88538 18.33000       21.14074 21.35887 10.19415 28.25762 11.54190 -6.898750      15.39922 
1 1 1 6  5  -37 o 50.47440 6.406558 57.48196       12.94310 52.90000       15.21162 69.50000       24.63581 47.08513 8.186883 50.00780 12.15203 -2.922672      14.65254 
1 1 1 6  5  -36 o 22.13561 8.816040 8.743400       11.99656 19.97000       14.70806 -13.57000      20.73548 28.48186 10.08551 20.09877 9.509461 8.383091       13.86173 
1 1 1 6  5  -35 o 25.80509 8.675177 15.39950       10.82935 16.23917       13.08050 13.57000       19.30795 26.62704 9.502642 26.96488 11.02400 -0.3378315     14.55434 
1 1 1 6  5  -34 o 57.62387 5.749869 72.06535       13.38610 73.95000       17.73474 69.57000       20.40688 57.09241 7.789069 54.07475 9.566257 3.017670       12.33624 
1 1 1 6  5  -33 o 30.19475 8.468685 21.09075       10.89230 15.51366       13.39635 31.97000       18.71037 26.95006 9.616821 36.10801 11.35209 -9.157957      14.87794 
1 1 1 6  5  -32 o 103.0127 3.543293 220.6292       14.92366 208.8794       18.47381 242.7000       25.31928 99.74335 4.535090 106.6895 5.817707 -6.946106      7.376501 
1 1 1 6  5  -31 o 23.64576 8.513006 10.82435       10.52279 20.60897       13.27763 -5.700000      17.25484 30.33005 9.566736 21.04190 9.484506 9.288149       13.47139 
1 1 1 6  5  -30 f 47.05434 5.896818 47.26156       11.11285 38.65266       13.82976 62.95000       18.66942 41.62878 8.403220 53.19683 8.883860 -11.56805      12.22854 
1 1 1 6  5  -29 f 50.54768 5.574435 53.99371       11.34651 39.22481       14.06749 81.49000       19.19462 42.11419 8.451724 61.42597 7.807551 -19.31178      11.50606 
1 1 1 6  5  -28 o 127.9320 3.336370 337.3478       17.46253 328.6459       21.78236 353.0000       29.21373 126.0141 4.227434 130.1274 5.495061 -4.113358      6.933029 
1 1 1 6  5  -27 o 41.29542 6.978838 36.58884       11.38069 30.28288       14.11388 48.31000       19.24228 37.04154 9.315724 46.63096 10.34802 -9.589420      13.92351 
1 1 1 6  5  -26 o 19.27663 8.187300 0.5594847      11.26048 -2.077841      13.94777 5.496000       19.08241 20.38049 8.886110 26.41293 10.89611 -6.032446      14.06016 
1 1 1 6  5  -25 o 167.3006 3.684409 575.3882       25.24003 580.7000       34.15797 569.0000       37.45965 167.7171 4.979337 165.8595 5.523384 1.857574       7.436502 
1 1 1 6  5  -24 o 69.19268 5.156044 99.19751       14.50334 91.07000       18.48862 112.2000       23.38508 65.95145 6.950696 73.05267 7.945548 -7.101212      10.55670 
1 1 1 6  5  -23 o 59.96024 5.901047 74.81716       14.30075 80.23000       18.40926 66.58000       22.70975 61.83430 7.418758 55.59312 10.35722 6.241177       12.74009 
1 1 1 6  5  -22 o 137.8297 3.443781 389.6785       19.43582 369.1779       24.02564 428.5000       33.06189 134.0052 4.384439 144.1985 5.610116 -10.19339      7.120162 
1 1 1 6  5  -21 o 120.5040 3.533439 298.0462       17.41623 294.3306       21.46785 305.2000       29.78808 119.6685 4.388543 121.6600 5.998065 -1.991501      7.432099 
1 1 1 6  5  -20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  5  -19 o 184.7545 4.019689 699.9361       30.40967 699.9361       30.40967 0.000000       0.000000 184.7545 4.019689 ?        ?        ?              ?        
1 1 1 6  5  -18 o 123.6943 4.170388 314.0684       21.09255 314.0684       21.09255 0.000000       0.000000 123.6943 4.170388 ?        ?        ?              ?        
1 1 1 6  5  -17 o 193.4240 3.191029 766.5656       25.27351 774.4229       31.39594 752.1000       42.59931 194.3733 3.944685 191.3732 5.441746 3.000183       6.721097 
1 1 1 6  5  -16 o 182.6550 3.125543 683.5046       23.37660 678.4695       28.86568 693.1000       39.84763 181.9490 3.874429 183.7438 5.301756 -1.794800      6.566568 
1 1 1 6  5  -15 o 65.72458 4.352609 88.92386       11.64792 84.22679       14.24265 98.41000       20.24055 63.84877 5.501303 68.84334 7.290869 -4.994564      9.133516 
1 1 1 6  5  -14 o 434.9285 5.810575 3879.482       103.4812 3832.000       144.1295 3930.000       148.6648 431.9015 8.149740 437.3618 8.301241 -5.460327      11.63309 
1 1 1 6  5  -13 o 224.5201 4.016730 1032.794       36.92771 1008.000       53.10947 1056.000       51.38076 221.6432 5.856984 226.9564 5.528835 -5.313278      8.054334 
1 1 1 6  5  -12 o 139.9257 3.779097 401.3699       21.63277 384.2000       31.89353 416.0000       29.44024 136.7831 5.706905 142.3844 5.057607 -5.601212      7.625493 
1 1 1 6  5  -11 o 218.2446 3.895743 975.6916       34.81435 1007.000       51.06447 948.5000       47.58890 221.5830 5.632617 215.0612 5.408339 6.521759       7.808745 
1 1 1 6  5  -10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6  5  -9  o 445.2142 4.838607 4061.059       88.20918 4112.132       109.1689 3965.000       149.7168 447.9238 5.952102 439.6137 8.317159 8.310059       10.22754 
1 1 1 6  5  -8  o 251.5495 3.308754 1295.927       34.08100 1305.207       41.98486 1278.000       58.35668 252.4279 4.061915 249.7244 5.706964 2.703522       7.004898 
1 1 1 6  5  -7  o 215.1116 3.082789 947.6331       27.15388 954.2036       33.47863 935.0000       46.42213 215.8410 3.787994 213.6158 5.307223 2.225250       6.520392 
1 1 1 6  5  -6  o 250.8941 3.284947 1289.170       33.74762 1279.427       41.21247 1309.000       58.79576 249.9247 4.027125 252.7382 5.681339 -2.813553      6.963861 
1 1 1 6  5  -5  o 312.3086 3.731858 1997.731       47.72363 2040.739       59.47871 1920.000       79.96136 315.6195 4.602283 306.0543 6.380538 9.565247       7.867165 
1 1 1 6  5  -4  o 267.7001 3.391289 1467.701       37.17386 1456.703       45.42551 1490.000       64.68130 266.6725 4.160037 269.6360 5.858366 -2.963470      7.185148 
1 1 1 6  5  -3  o 299.6500 3.620842 1839.042       44.42712 1855.799       54.82738 1807.000       75.81381 300.9823 4.448689 296.9148 6.235799 4.067535       7.660028 
1 1 1 6  5  -2  o 184.6852 3.530971 698.5864       26.70242 719.2000       38.35592 679.2000       37.19661 187.2883 5.005955 182.0023 4.995893 5.285995       7.072378 
1 1 1 6  5  -1  o 357.0899 3.528748 2611.630       51.59679 2567.511       72.15096 2657.808       73.81526 353.9955 4.977599 360.1651 5.005185 -6.169586      7.058921 
1 1 1 6  5  0   o 311.9329 3.211947 1992.742       41.02551 2004.806       58.52767 1981.088       57.52302 312.8261 4.569134 310.9724 4.517472 1.853729       6.425304 
1 1 1 6  5  1   o 213.9784 2.635048 937.6149       23.08781 898.3788       32.30016 978.6038       33.01373 209.4306 3.766518 218.5837 3.688523 -9.153030      5.271798 
1 1 1 6  5  2   o 194.6144 2.545109 775.5833       20.28177 779.6442       29.12137 771.7581       28.26337 195.1034 3.645209 194.1161 3.555806 0.9873657      5.092279 
1 1 1 6  5  3   o 240.5989 3.197872 1185.532       31.50497 1260.000       57.37921 1153.392       37.69534 247.9606 5.651289 237.2983 3.879437 10.66232       6.854713 
1 1 1 6  5  4   o 271.6701 2.952838 1511.433       32.84777 1562.830       47.80664 1465.469       45.20960 276.2136 4.226868 267.4748 4.127846 8.738831       5.908090 
1 1 1 6  5  5   o 131.0166 2.787019 351.5152       14.95170 375.1000       27.43915 341.5550       17.83151 135.2167 4.964252 129.0962 3.376162 6.120483       6.003522 
1 1 1 6  5  6   o 355.7932 3.515702 2592.652       51.21935 2597.363       72.76969 2588.026       72.10509 356.0520 4.991288 355.4134 4.954591 0.6386719      7.032846 
1 1 1 6  5  7   o 246.0532 3.255960 1239.893       32.80443 1193.714       39.35656 1345.000       59.37547 241.4094 3.981424 256.1914 5.660021 -14.78200      6.920085 
1 1 1 6  5  8   o 422.7418 4.009417 3660.576       69.40341 3757.461       100.4706 3572.148       95.98544 428.1945 5.730249 417.5101 5.614537 10.68445       8.022392 
1 1 1 6  5  9   o 300.5426 4.479703 1850.417       55.12894 1770.000       75.94345 1940.000       80.15511 293.8518 6.311572 307.6368 6.363097 -13.78497      8.962419 
1 1 1 6  5  10  o 441.5107 5.897362 3995.417       106.6163 3973.000       150.5006 4018.000       151.0572 440.0233 8.352920 442.5101 8.336695 -2.486877      11.80134 
1 1 1 6  5  11  o 357.5905 5.034336 2620.306       73.71443 2632.000       105.1380 2609.000       103.3801 358.2242 7.167711 356.6635 7.078707 1.560669       10.07394 
1 1 1 6  5  12  o 175.3090 3.003095 629.4398       21.55747 646.7094       27.06994 599.5000       35.64275 177.6812 3.720673 170.9572 5.097353 6.723969       6.310817 
1 1 1 6  5  13  o 214.4267 3.134815 941.7593       27.52423 968.5993       34.41258 894.1000       45.85643 217.4363 3.865101 208.7744 5.368574 8.661835       6.615180 
1 1 1 6  5  14  o 77.10819 3.765650 122.1068       11.85358 107.0498       14.70899 150.0000       20.01995 72.09010 5.014161 85.32967 5.763604 -13.23957      7.639433 
1 1 1 6  5  15  o 77.46497 3.917308 123.2809       12.38527 122.8958       15.77314 123.9000       20.00122 77.25894 5.012982 77.44297 6.363480 -0.1840286     8.100856 
1 1 1 6  5  16  o 271.7065 3.505963 1512.697       39.00602 1555.189       48.85679 1438.000       64.77673 275.4366 4.331905 264.7057 5.976285 10.73080       7.381151 
1 1 1 6  5  17  o 310.0827 3.788184 1970.699       48.09866 1977.850       59.34024 1957.000       82.12738 310.5578 4.666405 308.6786 6.497662 1.879242       7.999683 
1 1 1 6  5  18  o 231.0241 3.325036 1093.744       31.45415 1093.608       38.88311 1094.000       53.50352 230.9526 4.111628 230.8462 5.660245 0.1063690      6.995988 
1 1 1 6  5  19  o 202.9617 4.056537 844.7126       33.71272 844.7126       33.71272 0.000000       0.000000 202.9617 4.056537 ?        ?        ?              ?        
1 1 1 6  5  20  o 237.2397 4.250455 1154.615       41.29023 1154.615       41.29023 0.000000       0.000000 237.2397 4.250455 ?        ?        ?              ?        
1 1 1 6  5  21  o 234.0970 4.245618 1124.652       40.69690 1124.652       40.69690 0.000000       0.000000 234.0970 4.245618 ?        ?        ?              ?        
1 1 1 6  5  22  o 117.0659 3.680588 281.4654       17.62107 279.1482       22.67278 285.0000       28.00258 116.4586 4.764605 117.5210 5.837402 -1.062408      7.535034 
1 1 1 6  5  23  o 94.42949 4.123439 183.5244       15.90536 197.8796       21.04454 164.4000       24.29009 97.90194 5.268982 88.96464 6.717505 8.937302       8.537392 
1 1 1 6  5  24  o 27.15945 9.680917 13.39569       13.57187 12.49000       18.99630 14.34000       19.39702 29.26049 11.25586 30.21521 11.43400 -0.9547272     16.04465 
1 1 1 6  5  25  o 181.3977 3.737360 676.5203       27.76011 653.6000       38.22477 702.1000       40.38138 177.8595 5.254359 184.3133 5.356251 -6.453781      7.503181 
1 1 1 6  5  26  o 115.1016 3.874555 273.0488       18.23511 283.2000       25.60406 262.6000       25.97665 116.8730 5.364508 112.4529 5.659610 4.420174       7.798021 
1 1 1 6  5  27  o 136.1903 3.341526 381.6423       18.63440 385.6071       24.06088 375.7000       29.45629 136.6050 4.306886 134.4977 5.359315 2.107346       6.875429 
1 1 1 6  5  28  o 36.72284 7.903337 29.56673       11.53187 32.37828       15.55936 26.14000       17.17748 38.06076 9.893618 34.60312 10.87687 3.457638       14.70340 
1 1 1 6  5  29  f 17.19688 7.618051 -2.872345      10.63085 -5.573534      14.17341 0.6018000      16.07388 19.17963 8.624768 22.51484 9.677442 -3.335217      12.96301 
1 1 1 6  5  30  f 66.49739 4.558695 92.46107       12.33770 97.52541       15.86426 84.71000       19.62632 67.88872 5.761227 62.37011 7.859010 5.518608       9.744525 
1 1 1 6  5  31  o 101.2351 4.602540 214.5282       19.02898 214.5282       19.02898 0.000000       0.000000 101.2351 4.602540 ?        ?        ?              ?        
1 1 1 6  5  32  o 54.32771 5.417782 63.00602       11.89171 37.38520       14.98409 106.6000       19.54552 40.09687 9.306097 69.98609 6.910507 -29.88923      11.59131 
1 1 1 6  5  33  o 27.42425 9.731247 16.24690       13.69905 16.24690       13.69905 0.000000       0.000000 27.42425 9.731247 ?        ?        ?              ?        
1 1 1 6  5  34  o 39.78345 8.207613 36.78259       12.92651 36.78259       12.92651 0.000000       0.000000 39.78345 8.207613 ?        ?        ?              ?        
1 1 1 6  5  35  o 58.11249 5.882955 74.22540       13.80614 74.22540       13.80614 0.000000       0.000000 58.11249 5.882955 ?        ?        ?              ?        
1 1 1 6  5  36  o 45.39540 6.054262 46.08799       10.97343 43.38142       12.89349 53.20000       20.90052 43.02846 7.595575 44.34276 11.43646 -1.314301      13.72899 
1 1 1 6  5  37  o 52.86882 8.464173 67.05252       17.70561 62.35000       27.83048 70.25000       22.94875 45.08717 13.79139 51.37598 11.22345 -6.288811      17.78112 
1 1 1 6  5  38  o 24.98529 8.580375 14.79226       10.60030 12.01757       12.05973 24.22000       22.22971 23.64773 9.000106 30.46523 12.04333 -6.817503      15.03475 
1 1 1 6  5  39  o 17.80316 7.672372 2.265472       10.15411 6.849529       11.35392 -16.05000      22.69499 20.50001 8.425415 20.01447 9.601392 0.4855442      12.77397 
1 1 1 6  5  40  o 29.30752 11.04538 24.76459       18.05871 13.95000       28.02879 32.44000       23.61295 26.75883 12.07236 31.73079 12.45247 -4.971970      17.34375 
1 1 1 6  6  0   o 153.7945 3.513870 484.3446       22.12844 467.7000       31.53033 500.5000       31.06357 151.0274 5.105911 156.2499 4.861114 -5.222504      7.049876 
1 1 1 6  6  1   o 381.8097 3.714272 2985.823       58.06910 2954.764       81.69122 3017.546       82.55988 379.7419 5.253666 383.7549 5.254007 -4.013062      7.430047 
1 1 1 6  6  2   o 205.9203 2.634242 868.3243       22.21156 818.2556       30.88162 921.9858       31.97045 199.8737 3.773289 212.1669 3.679990 -12.29326      5.270677 
1 1 1 6  6  3   o 515.4617 4.727227 5443.495       99.77625 5417.227       140.6900 5470.076       141.5235 514.0445 6.684026 516.5452 6.691076 -2.500671      9.457627 
1 1 1 6  6  4   o 323.8017 3.314061 2147.328       43.94041 2111.946       61.64629 2183.869       62.64807 321.0690 4.689042 326.4904 4.686113 -5.421417      6.629236 
1 1 1 6  6  5   o 96.37771 3.262870 190.4538       12.85802 176.0555       16.06697 216.1000       21.44322 92.60809 4.248338 102.5681 5.121882 -9.959984      6.654477 
1 1 1 6  6  6   f 548.8875 5.776119 6174.977       129.8207 6127.828       157.9867 6273.000       227.7984 546.6408 7.058200 552.6127 10.06712 -5.971863      12.29493 
1 1 1 6  6  7   o 243.3135 3.291488 1212.518       32.79313 1226.081       40.58295 1187.000       55.66539 244.6472 4.051157 240.6526 5.648983 3.994568       6.951467 
1 1 1 6  6  8   o 43.06577 6.020873 38.75793       10.32759 23.01232       12.95427 66.22000       17.10802 33.01408 9.226932 56.30447 7.615557 -23.29039      11.96382 
1 1 1 6  6  9   o 291.1682 3.615588 1736.638       43.10696 1717.000       52.55757 1777.000       75.34894 289.4792 4.433978 294.3796 6.250936 -4.900391      7.663834 
1 1 1 6  6  10  o 140.9907 3.026281 407.1452       17.47126 437.4030       22.16495 357.5000       28.39144 146.0742 3.708688 131.9574 5.265043 14.11678       6.440113 
1 1 1 6  6  11  o 451.0984 6.022940 4173.519       111.2511 4173.519       111.2511 0.000000       0.000000 451.0984 6.022940 ?        ?        ?              ?        
1 1 1 6  6  12  o 129.6479 3.903224 344.7289       20.69753 344.7289       20.69753 0.000000       0.000000 129.6479 3.903224 ?        ?        ?              ?        
1 1 1 6  6  13  o 226.9574 4.038856 1055.649       37.53420 1055.649       37.53420 0.000000       0.000000 226.9574 4.038856 ?        ?        ?              ?        
1 1 1 6  6  14  o 54.57843 8.686071 62.80000       18.76202 62.80000       18.76202 0.000000       0.000000 54.57843 8.686071 ?        ?        ?              ?        
1 1 1 6  6  15  o 70.29700 4.597896 101.7698       13.16225 97.32810       16.67995 109.1000       21.42793 68.59334 5.998972 72.48527 7.319654 -3.891930      9.463879 
1 1 1 6  6  16  o 271.3255 4.276729 1509.558       47.51456 1531.000       67.10535 1488.000       67.28650 273.0405 6.002133 269.1647 6.104997 3.875824       8.561343 
1 1 1 6  6  17  o 184.5883 3.795232 698.5454       28.68579 698.4000       39.96077 698.7000       41.20344 184.3745 5.298578 184.3940 5.463130 -0.1948547E-01 7.610567 
1 1 1 6  6  18  o 44.35733 11.58780 42.36000       21.27427 0.000000       0.000000 42.36000       21.27427 ?        ?        44.35733 11.58780 ?              ?        
1 1 1 6  6  19  o 133.6622 4.697550 367.2284       25.67018 361.5000       44.95476 370.0000       31.26946 132.0482 8.357039 134.0400 5.710286 -1.991776      10.12163 
1 1 1 6  6  20  o 41.06762 10.75656 36.40416       18.30007 55.80000       35.52847 29.40000       21.35012 51.07747 15.57444 37.87484 12.15265 13.20263       19.75475 
1 1 1 6  6  21  o 54.84452 6.245823 62.80114       13.77679 54.07266       17.56366 76.76000       22.21112 50.32803 8.845453 60.08488 9.330297 -9.756855      12.85677 
1 1 1 6  6  22  f 86.05556 4.328013 152.6276       15.20182 149.5592       19.33125 157.6000       24.60893 84.99629 5.585330 87.00067 6.966052 -2.004379      8.928706 
1 1 1 6  6  23  o 20.74529 9.342570 -7.839026      16.70014 -28.91000      34.42284 -1.353000      19.09826 27.17616 12.66367 24.30180 10.49785 2.874359       16.44912 
1 1 1 6  6  24  o 44.84754 7.192254 42.86315       12.76144 38.16998       16.65308 49.54000       19.86310 41.71522 9.899025 47.47724 10.49660 -5.762016      14.42807 
1 1 1 6  6  25  o 23.35723 8.839410 8.538046       11.59319 15.83163       15.29483 -1.311000      17.77342 28.95127 10.28149 23.29743 10.09553 5.653839       14.40933 
1 1 1 6  6  26  o 135.6706 3.363395 378.8672       18.68478 405.3046       24.40219 341.4000       29.04988 140.0359 4.260595 128.0855 5.552042 11.95044       6.998417 
1 1 1 6  6  27  o 50.80811 8.206853 56.10609       16.49222 26.55000       37.19270 63.34000       18.40012 39.37087 15.57348 53.89763 8.628254 -14.52676      17.80393 
1 1 1 6  6  28  o 49.90279 6.090652 53.00425       12.18795 59.47914       16.30278 44.80000       18.35121 52.28737 7.857242 44.37477 10.29862 7.912594       12.95368 
1 1 1 6  6  29  o 44.10879 6.624416 42.09430       11.59524 33.93060       15.28527 53.16000       17.79588 38.50734 9.700316 48.57136 9.286119 -10.06402      13.42863 
1 1 1 6  6  30  o 100.7526 3.645660 210.8150       15.01551 207.6783       19.16597 215.8000       24.16170 99.52647 4.716340 100.8100 5.878794 -1.283485      7.536848 
1 1 1 6  6  31  o 23.42091 8.691950 10.30516       11.09558 3.675141       13.81994 22.33000       18.61181 21.73982 9.143425 31.72119 11.33351 -9.981365      14.56196 
1 1 1 6  6  32  o 42.87822 6.920964 40.84190       11.73776 31.85866       14.50721 57.87000       19.97331 36.60242 9.572434 49.18230 10.25067 -12.57988      14.02526 
1 1 1 6  6  33  o 50.11911 5.990720 54.93800       12.05118 48.99699       14.87629 66.28000       20.55459 46.07323 8.185235 52.45558 9.933167 -6.382343      12.87113 
1 1 1 6  6  34  o 19.78788 8.232296 4.393805       11.02080 -11.15417      13.09129 42.22000       20.41935 16.10774 7.601495 39.67956 11.74199 -23.57182      13.98774 
1 1 1 6  6  35  o 16.07841 7.372250 -4.916188      10.99522 -9.183133      12.81701 6.975000       21.39641 16.26021 7.625782 25.12396 10.97915 -8.863754      13.36766 
1 1 1 6  6  36  o 54.55964 5.860657 66.09050       12.88807 54.30923       14.81250 102.8000       26.14698 48.02674 7.799520 63.41883 10.43118 -15.39210      13.02467 
1 1 1 6  6  37  o 21.65457 8.718187 8.163582       11.86308 1.095559       13.76247 28.60000       23.40183 19.78234 8.719804 32.13202 12.45753 -12.34968      15.20608 
1 1 1 6  6  38  o 23.29268 9.407969 10.90928       13.86346 10.90928       13.86346 0.000000       0.000000 23.29268 9.407969 ?        ?        ?              ?        
1 1 1 6  6  39  o 21.09984 9.621267 0.1966477      18.38940 -51.50000      29.02108 34.88000       23.77075 18.27355 9.150130 32.66667 12.58463 -14.39312      15.55950 
1 1 1 7  0  -42 o 55.43214 12.79139 83.88000       25.26818 83.88000       25.26818 83.88000       25.26818 55.43214 12.79139 55.43214 12.79139 0.000000       0.000000 
1 1 1 7  0  -41 o 17.94080 11.86755 2.780000       22.73287 2.780000       22.73287 2.780000       22.73287 17.94080 11.86755 17.94080 11.86755 -0.000000      0.000000 
1 1 1 7  0  -40 o 20.04054 10.90299 13.77521       12.63849 13.77521       12.63849 13.77521       12.63849 20.04054 10.90299 20.04054 10.90299 -0.000000      0.000000 
1 1 1 7  0  -39 o 70.58947 6.636248 109.4000       18.76926 109.4000       18.76926 109.4000       18.76926 70.58947 6.636248 70.58947 6.636248 0.000000       0.000000 
1 1 1 7  0  -38 o 59.80284 7.107462 79.85000       16.75733 79.85000       16.75733 79.85000       16.75733 59.80284 7.107462 59.80284 7.107462 0.000000       0.000000 
1 1 1 7  0  -37 o 17.20152 10.30042 7.987000       12.94050 7.987000       12.94050 7.987000       12.94050 17.20152 10.30042 17.20152 10.30042 0.000000       0.000000 
1 1 1 7  0  -36 o 104.0872 6.790943 231.9000       28.65703 231.9000       28.65703 231.9000       28.65703 104.0872 6.790943 104.0872 6.790943 -0.000000      0.000000 
1 1 1 7  0  -35 o 65.32592 9.237033 96.56000       23.28643 96.56000       23.28643 96.56000       23.28643 65.32592 9.237033 65.32592 9.237033 0.000000       0.000000 
1 1 1 7  0  -34 o 96.08986 7.096034 196.9000       27.56233 196.9000       27.56233 196.9000       27.56233 96.08986 7.096034 96.08986 7.096034 -0.000000      0.000000 
1 1 1 7  0  -33 o 73.56165 8.810525 118.9000       25.53265 118.9000       25.53265 118.9000       25.53265 73.56165 8.810525 73.56165 8.810525 0.000000       0.000000 
1 1 1 7  0  -32 o 17.38075 11.67859 -7.502000      23.55153 -7.502000      23.55153 -7.502000      23.55153 17.38075 11.67859 17.38075 11.67859 -0.000000      0.000000 
1 1 1 7  0  -31 o 60.15351 13.34227 86.94000       28.72815 86.94000       28.72815 86.94000       28.72815 60.15351 13.34227 60.15351 13.34227 -0.000000      0.000000 
1 1 1 7  0  -30 o 113.7462 7.196281 271.1000       33.20600 271.1000       33.20600 271.1000       33.20600 113.7462 7.196281 113.7462 7.196281 -0.000000      0.000000 
1 1 1 7  0  -29 o 136.0455 6.621336 384.6000       36.68528 384.6000       36.68528 384.6000       36.68528 136.0455 6.621336 136.0455 6.621336 -0.000000      0.000000 
1 1 1 7  0  -28 o 179.6064 6.223771 666.5000       45.64723 666.5000       45.64723 666.5000       45.64723 179.6064 6.223771 179.6064 6.223771 -0.000000      0.000000 
1 1 1 7  0  -27 o 244.7927 6.352430 1235.000       63.57719 1235.000       63.57719 1235.000       63.57719 244.7927 6.352430 244.7927 6.352430 0.000000       0.000000 
1 1 1 7  0  -26 o 71.57302 11.41479 113.6000       30.90707 113.6000       30.90707 113.6000       30.90707 71.57302 11.41479 71.57302 11.41479 0.000000       0.000000 
1 1 1 7  0  -25 o 69.63206 12.33466 109.0000       31.87776 109.0000       31.87776 109.0000       31.87776 69.63206 12.33466 69.63206 12.33466 0.000000       0.000000 
1 1 1 7  0  -24 o 294.0900 6.704316 1778.000       80.63975 1778.000       80.63975 1778.000       80.63975 294.0900 6.704316 294.0900 6.704316 -0.000000      0.000000 
1 1 1 7  0  -23 o 46.99371 16.78525 60.20000       29.47324 60.20000       29.47324 60.20000       29.47324 46.99371 16.78525 46.99371 16.78525 -0.000000      0.000000 
1 1 1 7  0  -22 o 96.47841 8.039825 195.0000       31.23582 195.0000       31.23582 195.0000       31.23582 96.47841 8.039825 96.47841 8.039825 -0.000000      0.000000 
1 1 1 7  0  -21 o 209.7958 6.005999 904.5000       51.49923 904.5000       51.49923 904.5000       51.49923 209.7958 6.005999 209.7958 6.005999 -0.000000      0.000000 
1 1 1 7  0  -20 f 276.9769 6.326649 1575.000       71.66873 1575.000       71.66873 1575.000       71.66873 276.9769 6.326649 276.9769 6.326649 -0.000000      0.000000 
1 1 1 7  0  -19 o 35.79759 15.32224 37.48000       22.93121 37.48000       22.93121 37.48000       22.93121 35.79759 15.32224 35.79759 15.32224 0.000000       0.000000 
1 1 1 7  0  -18 f 212.2355 5.677784 924.8000       49.26270 924.8000       49.26270 924.8000       49.26270 212.2355 5.677784 212.2355 5.677784 -0.000000      0.000000 
1 1 1 7  0  -17 o 53.63563 11.01054 65.91000       21.36839 65.91000       21.36839 65.91000       21.36839 53.63563 11.01054 53.63563 11.01054 0.000000       0.000000 
1 1 1 7  0  -16 o 35.09901 13.90941 34.85000       19.26429 34.85000       19.26429 34.85000       19.26429 35.09901 13.90941 35.09901 13.90941 0.000000       0.000000 
1 1 1 7  0  -15 f 632.4734 11.35550 8213.000       293.8712 8213.000       293.8712 8213.000       293.8712 632.4734 11.35550 632.4734 11.35550 -0.000000      0.000000 
1 1 1 7  0  -14 o 461.5081 8.672339 4370.000       163.7548 4370.000       163.7548 4370.000       163.7548 461.5081 8.672339 461.5081 8.672339 0.000000       0.000000 
1 1 1 7  0  -13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  0  -12 o 602.8350 10.88399 7462.000       268.4674 7462.000       268.4674 7462.000       268.4674 602.8350 10.88399 602.8350 10.88399 -0.000000      0.000000 
1 1 1 7  0  -11 o 228.1291 5.576918 1068.000       52.02506 1068.000       52.02506 1068.000       52.02506 228.1291 5.576918 228.1291 5.576918 0.000000       0.000000 
1 1 1 7  0  -10 o 336.7031 6.827043 2326.000       94.03750 2326.000       94.03750 2326.000       94.03750 336.7031 6.827043 336.7031 6.827043 -0.000000      0.000000 
1 1 1 7  0  -9  o 217.0508 5.411898 966.9000       48.03136 966.9000       48.03136 966.9000       48.03136 217.0508 5.411898 217.0508 5.411898 -0.000000      0.000000 
1 1 1 7  0  -8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  0  -7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  0  -6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  0  -5  o 330.0472 6.682080 2235.000       90.22156 2235.000       90.22156 2235.000       90.22156 330.0472 6.682080 330.0472 6.682080 -0.000000      0.000000 
1 1 1 7  0  -4  o 310.5780 6.412241 1979.000       81.46798 1979.000       81.46798 1979.000       81.46798 310.5780 6.412241 310.5780 6.412241 0.000000       0.000000 
1 1 1 7  0  -3  o 69.12008 6.035051 100.1000       16.76841 100.1000       16.76841 100.1000       16.76841 69.12008 6.035051 69.12008 6.035051 0.000000       0.000000 
1 1 1 7  0  -2  o 16.00906 9.966448 3.264000       13.20865 3.264000       13.20865 3.264000       13.20865 16.00906 9.966448 16.00906 9.966448 0.000000       0.000000 
1 1 1 7  0  -1  f 224.5897 5.328428 1035.000       48.93966 1035.000       48.93966 1035.000       48.93966 224.5897 5.328428 224.5897 5.328428 0.000000       0.000000 
1 1 1 7  0  0   f 712.3373 12.63185 10430.00       368.1874 10430.00       368.1874 10430.00       368.1874 712.3373 12.63185 712.3373 12.63185 -0.000000      0.000000 
1 1 1 7  0  1   f 559.7645 10.14371 6434.000       232.3297 6434.000       232.3297 6434.000       232.3297 559.7645 10.14371 559.7645 10.14371 0.000000       0.000000 
1 1 1 7  0  2   o 325.2274 6.574101 2170.000       87.46763 2170.000       87.46763 2170.000       87.46763 325.2274 6.574101 325.2274 6.574101 -0.000000      0.000000 
1 1 1 7  0  3   o 23.07852 11.55029 16.07000       13.34077 16.07000       13.34077 16.07000       13.34077 23.07852 11.55029 23.07852 11.55029 -0.000000      0.000000 
1 1 1 7  0  4   o 110.7375 4.814967 252.6000       21.73879 252.6000       21.73879 252.6000       21.73879 110.7375 4.814967 110.7375 4.814967 -0.000000      0.000000 
1 1 1 7  0  5   o 97.08784 4.977465 194.6000       19.66845 194.6000       19.66845 194.6000       19.66845 97.08784 4.977465 97.08784 4.977465 0.000000       0.000000 
1 1 1 7  0  6   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  0  7   o 21.24234 11.19751 13.38000       12.95849 13.38000       12.95849 13.38000       12.95849 21.24234 11.19751 21.24234 11.19751 0.000000       0.000000 
1 1 1 7  0  8   o 25.23820 11.32374 18.90000       12.48895 18.90000       12.48895 18.90000       12.48895 25.23820 11.32374 25.23820 11.32374 0.000000       0.000000 
1 1 1 7  0  9   o 325.3749 6.531155 2172.000       86.93674 2172.000       86.93674 2172.000       86.93674 325.3749 6.531155 325.3749 6.531155 -0.000000      0.000000 
1 1 1 7  0  10  o 489.9348 9.005410 4927.000       180.5241 4927.000       180.5241 4927.000       180.5241 489.9348 9.005410 489.9348 9.005410 0.000000       0.000000 
1 1 1 7  0  11  o 356.9603 6.980258 2614.000       101.9392 2614.000       101.9392 2614.000       101.9392 356.9603 6.980258 356.9603 6.980258 0.000000       0.000000 
1 1 1 7  0  12  o 132.6269 4.678753 361.6000       25.33712 361.6000       25.33712 361.6000       25.33712 132.6269 4.678753 132.6269 4.678753 0.000000       0.000000 
1 1 1 7  0  13  o 146.2812 4.703362 439.6000       28.10621 439.6000       28.10621 439.6000       28.10621 146.2812 4.703362 146.2812 4.703362 -0.000000      0.000000 
1 1 1 7  0  14  o 22.84673 11.41374 15.74000       13.01583 15.74000       13.01583 15.74000       13.01583 22.84673 11.41374 22.84673 11.41374 0.000000       0.000000 
1 1 1 7  0  15  f 197.9304 4.992205 803.9000       40.40217 803.9000       40.40217 803.9000       40.40217 197.9304 4.992205 197.9304 4.992205 -0.000000      0.000000 
1 1 1 7  0  16  o 23.84522 11.67987 17.16000       13.51414 17.16000       13.51414 17.16000       13.51414 23.84522 11.67987 23.84522 11.67987 -0.000000      0.000000 
1 1 1 7  0  17  o 300.4727 6.180890 1852.000       75.97410 1852.000       75.97410 1852.000       75.97410 300.4727 6.180890 300.4727 6.180890 -0.000000      0.000000 
1 1 1 7  0  18  f 62.35426 6.320735 82.09000       15.72748 82.09000       15.72748 82.09000       15.72748 62.35426 6.320735 62.35426 6.320735 0.000000       0.000000 
1 1 1 7  0  19  o 60.02909 6.761793 76.62000       16.07880 76.62000       16.07880 76.62000       16.07880 60.02909 6.761793 60.02909 6.761793 -0.000000      0.000000 
1 1 1 7  0  20  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  0  21  o 269.4760 4.134906 1488.694       45.60156 1488.694       45.60156 1488.694       45.60156 269.4760 4.134906 269.4760 4.134906 -0.000000      0.000000 
1 1 1 7  0  22  o 209.5896 5.470840 902.3000       46.87906 902.3000       46.87906 902.3000       46.87906 209.5896 5.470840 209.5896 5.470840 0.000000       0.000000 
1 1 1 7  0  23  o 303.0881 6.428195 1887.000       79.69686 1887.000       79.69686 1887.000       79.69686 303.0881 6.428195 303.0881 6.428195 0.000000       0.000000 
1 1 1 7  0  24  o 190.7774 3.641765 746.5313       28.42537 746.5313       28.42537 746.5313       28.42537 190.7774 3.641765 190.7774 3.641765 0.000000       0.000000 
1 1 1 7  0  25  o 216.0368 3.749337 957.3493       33.14451 957.3493       33.14451 957.3493       33.14451 216.0368 3.749337 216.0368 3.749337 -0.000000      0.000000 
1 1 1 7  0  26  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  0  27  o 22.97321 13.66578 12.24000       22.49284 12.24000       22.49284 12.24000       22.49284 22.97321 13.66578 22.97321 13.66578 -0.000000      0.000000 
1 1 1 7  0  28  o 23.09461 13.65020 12.98000       22.18116 12.98000       22.18116 12.98000       22.18116 23.09461 13.65020 23.09461 13.65020 0.000000       0.000000 
1 1 1 7  0  29  o 22.15345 13.35072 10.80000       22.01719 10.80000       22.01719 10.80000       22.01719 22.15345 13.35072 22.15345 13.35072 0.000000       0.000000 
1 1 1 7  0  30  o 20.67621 12.95181 6.003000       22.66667 6.003000       22.66667 6.003000       22.66667 20.67621 12.95181 20.67621 12.95181 0.000000       0.000000 
1 1 1 7  0  31  o 29.94566 15.04885 28.73000       22.69328 28.73000       22.69328 28.73000       22.69328 29.94566 15.04885 29.94566 15.04885 -0.000000      0.000000 
1 1 1 7  0  32  o 36.81848 15.37032 41.40000       23.17682 41.40000       23.17682 41.40000       23.17682 36.81848 15.37032 36.81848 15.37032 -0.000000      0.000000 
1 1 1 7  0  33  o 30.81212 14.96949 31.16000       22.13259 31.16000       22.13259 31.16000       22.13259 30.81212 14.96949 30.81212 14.96949 0.000000       0.000000 
1 1 1 7  0  34  o 52.80616 12.36949 69.05000       23.24362 69.05000       23.24362 69.05000       23.24362 52.80616 12.36949 52.80616 12.36949 0.000000       0.000000 
1 1 1 7  0  35  o 34.34812 14.97672 38.21000       21.86488 38.21000       21.86488 38.21000       21.86488 34.34812 14.97672 34.34812 14.97672 0.000000       0.000000 
1 1 1 7  0  36  o 33.25037 15.15253 37.32000       22.37926 37.32000       22.37926 37.32000       22.37926 33.25037 15.15253 33.25037 15.15253 0.000000       0.000000 
1 1 1 7  0  37  o 23.97628 13.91583 19.64000       22.35980 19.64000       22.35980 19.64000       22.35980 23.97628 13.91583 23.97628 13.91583 0.000000       0.000000 
1 1 1 7  0  38  o 23.71526 13.67955 20.08000       21.40149 20.08000       21.40149 20.08000       21.40149 23.71526 13.67955 23.71526 13.67955 0.000000       0.000000 
1 1 1 7  0  39  o 22.36329 13.44372 16.71000       22.21365 16.71000       22.21365 16.71000       22.21365 22.36329 13.44372 22.36329 13.44372 -0.000000      0.000000 
1 1 1 7  0  40  o 16.52650 11.17436 -4.088000      22.21388 -4.088000      22.21388 -4.088000      22.21388 16.52650 11.17436 16.52650 11.17436 0.000000       0.000000 
1 1 1 7  0  41  o 17.60725 11.71497 1.385000       22.69046 1.385000       22.69046 1.385000       22.69046 17.60725 11.71497 17.60725 11.71497 0.000000       0.000000 
1 1 1 7  0  42  o 21.08683 13.21863 15.01000       23.65581 15.01000       23.65581 15.01000       23.65581 21.08683 13.21863 21.08683 13.21863 0.000000       0.000000 
1 1 1 7  1  -41 o 26.32124 8.139408 17.36206       9.661372 18.89858       12.95552 15.43703       14.50125 26.98213 9.473254 25.28731 9.805697 1.694822       13.63430 
1 1 1 7  1  -40 o 62.03577 5.281186 84.59745       13.28781 50.59000       25.38768 97.42855       15.59438 40.22778 13.27675 66.12648 5.818558 -25.89870      14.49578 
1 1 1 7  1  -39 o 30.22935 9.000924 22.77310       11.96906 2.626000       22.85332 30.38820       14.05014 24.39761 10.96311 34.50162 9.596984 -10.10402      14.57024 
1 1 1 7  1  -38 o 67.89655 4.642242 99.17241       12.82860 97.73000       24.56686 99.71320       15.04242 62.42968 9.943467 67.43940 5.494858 -5.009720      11.36072 
1 1 1 7  1  -37 o 29.55309 10.36856 21.29352       15.51821 18.67000       22.13355 23.83000       21.76326 29.38383 11.88049 31.21186 12.03695 -1.828033      16.91255 
1 1 1 7  1  -36 o 70.14745 6.229870 107.5736       17.70840 95.12000       25.21182 119.7000       24.87843 62.83118 10.14502 72.04698 8.602810 -9.215805      13.30149 
1 1 1 7  1  -35 o 23.40890 9.727074 6.169519       15.36004 -0.9945000     22.66946 12.25000       20.88486 24.80850 11.04936 27.97461 11.45439 -3.166111      15.91513 
1 1 1 7  1  -34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  1  -33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  1  -32 o 85.03842 8.386623 157.4000       28.82324 0.000000       0.000000 157.4000       28.82324 ?        ?        85.03842 8.386623 ?              ?        
1 1 1 7  1  -31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  1  -30 o 88.83428 6.034868 165.2684       21.82160 143.4000       33.92624 180.7000       28.49919 80.90444 10.48746 92.31456 7.606859 -11.41012      12.95573 
1 1 1 7  1  -29 o 41.46183 11.28400 38.26598       19.66529 21.11000       31.51120 49.21000       25.16783 36.81015 14.40306 46.69558 12.78885 -9.885433      19.26143 
1 1 1 7  1  -28 o 148.6385 4.679704 456.0238       28.44676 460.6000       43.12908 452.5000       37.84621 148.6021 7.108568 147.5867 6.276878 1.015427       9.483192 
1 1 1 7  1  -27 o 94.53546 6.101490 185.5141       23.49251 187.9000       35.74517 183.7000       31.16971 94.27779 9.383882 93.55149 8.220377 0.7263031      12.47525 
1 1 1 7  1  -26 o 121.7897 5.349043 306.0751       26.61035 334.3000       40.81099 285.2000       35.09741 126.7200 7.904522 117.1422 7.354181 9.577850       10.79655 
1 1 1 7  1  -25 o 82.47483 7.189432 141.4806       24.03712 129.8000       36.88860 150.1000       31.68820 77.88269 11.94796 84.53630 9.308277 -6.653610      15.14588 
1 1 1 7  1  -24 o 74.48279 7.925895 115.7742       23.80209 79.83000       36.56698 142.2000       31.35367 60.40687 14.88207 82.33441 9.472385 -21.92754      17.64092 
1 1 1 7  1  -23 o 41.49808 12.21801 36.42410       22.15493 4.547000       34.63067 58.51000       28.82565 34.54782 14.49859 51.99005 13.44211 -17.44223      19.77117 
1 1 1 7  1  -22 o 273.8010 4.609950 1537.847       51.68393 1559.000       75.29536 1519.000       71.07161 275.3826 6.677399 271.8745 6.384151 3.508026       9.238238 
1 1 1 7  1  -21 o 163.2017 4.356492 546.5173       29.08689 517.0000       42.38184 572.8000       39.99224 158.5065 6.544003 166.9358 5.859707 -8.429306      8.784084 
1 1 1 7  1  -20 o 388.4427 5.466626 3095.557       86.95023 3070.000       123.1038 3121.000       122.8290 386.4302 7.779935 389.6436 7.698553 -3.213348      10.94510 
1 1 1 7  1  -19 o 78.90849 5.920816 128.4507       18.99114 106.0000       28.81112 145.7000       25.25409 71.03282 10.19751 83.90148 7.427498 -12.86866      12.61574 
1 1 1 7  1  -18 o 382.3030 5.358445 2996.474       83.88241 3117.000       123.1002 2892.000       114.6096 389.6269 7.715879 375.3364 7.457204 14.29053       10.73055 
1 1 1 7  1  -17 o 213.9615 4.023453 937.8838       35.24998 900.1000       49.93982 975.4000       49.76266 209.4516 5.828562 218.0623 5.577703 -8.610703      8.067397 
1 1 1 7  1  -16 o 405.3342 5.555115 3367.307       92.19995 3337.000       129.9789 3398.000       130.8058 403.2901 7.871019 406.9619 7.849627 -3.671722      11.11619 
1 1 1 7  1  -15 o 161.9908 3.791593 537.4877       25.14992 565.4000       36.87045 513.2000       34.39333 166.0164 5.431102 158.1654 5.318098 7.850983       7.601252 
1 1 1 7  1  -14 o 441.3704 5.918623 3992.472       106.9666 3952.000       150.3085 4034.000       152.2576 438.9056 8.363501 443.4333 8.385448 -4.527679      11.84331 
1 1 1 7  1  -13 o 134.8645 3.839784 372.8415       21.18295 388.0000       31.14926 359.8000       28.89233 137.4916 5.544199 132.4050 5.340055 5.086594       7.697683 
1 1 1 7  1  -12 o 155.8399 3.727878 497.4283       23.78838 492.4000       34.09107 502.2000       33.20994 154.9225 5.382223 156.4696 5.190572 -1.547058      7.477324 
1 1 1 7  1  -11 o 83.76266 6.180277 144.6000       21.04813 0.000000       0.000000 144.6000       21.04813 ?        ?        83.76266 6.180277 ?              ?        
1 1 1 7  1  -10 o 324.9415 6.658869 2165.000       88.59925 0.000000       0.000000 2165.000       88.59925 ?        ?        324.9415 6.658869 ?              ?        
1 1 1 7  1  -9  o 73.93179 6.364838 112.9000       19.08089 0.000000       0.000000 112.9000       19.08089 ?        ?        73.93179 6.364838 ?              ?        
1 1 1 7  1  -8  o 364.6644 7.185509 2728.000       107.2940 0.000000       0.000000 2728.000       107.2940 ?        ?        364.6644 7.185509 ?              ?        
1 1 1 7  1  -7  o 324.5981 6.621364 2161.000       88.00712 0.000000       0.000000 2161.000       88.00712 ?        ?        324.5981 6.621364 ?              ?        
1 1 1 7  1  -6  o 295.4759 4.411123 1788.916       53.36981 1756.000       74.82699 1823.000       76.14282 292.6261 6.244833 298.1570 6.236767 -5.530914      8.825826 
1 1 1 7  1  -5  o 135.9905 3.476148 379.0654       19.34083 365.7000       27.31680 392.5000       27.38748 133.4854 5.006588 138.3071 4.843439 -4.821716      6.965977 
1 1 1 7  1  -4  o 268.3057 5.885252 1476.000       64.65758 1476.000       64.65758 0.000000       0.000000 268.3057 5.885252 ?        ?        ?              ?        
1 1 1 7  1  -3  o 200.8245 5.186832 827.2000       42.61668 827.2000       42.61668 0.000000       0.000000 200.8245 5.186832 ?        ?        ?              ?        
1 1 1 7  1  -2  o 32.18242 10.01159 21.14000       14.59231 21.14000       14.59231 0.000000       0.000000 32.18242 10.01159 ?        ?        ?              ?        
1 1 1 7  1  -1  o 420.9982 5.641779 3633.614       97.25697 3602.000       136.7205 3666.000       138.3788 418.8825 7.971076 422.5838 7.997094 -3.701233      11.29122 
1 1 1 7  1  0   o 430.9417 5.744277 3807.452       101.3627 3842.000       144.5175 3774.000       142.2076 432.5873 8.158722 428.7505 8.100162 3.836731       11.49684 
1 1 1 7  1  1   o 329.0720 4.688751 2219.114       63.17896 2278.000       91.29684 2165.000       87.51989 333.2492 6.690555 324.8889 6.578812 8.360321       9.383192 
1 1 1 7  1  2   o 227.8920 3.799503 1063.945       35.45522 1068.000       50.49103 1060.000       49.79864 228.2543 5.402203 227.4006 5.348125 0.8536835      7.601726 
1 1 1 7  1  3   o 273.7038 4.165616 1534.882       46.68576 1519.000       65.78121 1551.000       66.26875 272.1834 5.902226 275.0366 5.884287 -2.853241      8.334332 
1 1 1 7  1  4   o 81.35911 3.785076 135.8956       12.57515 129.8000       18.08622 141.6000       17.49634 79.37441 5.600674 82.95629 5.176585 -3.581879      7.626571 
1 1 1 7  1  5   o 126.1952 3.374278 326.4351       17.42041 320.9000       24.95027 331.7000       24.33366 125.0379 4.882528 127.1403 4.682117 -2.102425      6.764709 
1 1 1 7  1  6   o 456.7467 6.031843 4277.619       112.8106 4106.000       153.7068 4478.000       166.0881 447.1742 8.394447 466.9435 8.686600 -19.76935      12.07989 
1 1 1 7  1  7   o 263.9194 4.064505 1427.010       43.92416 1420.000       62.16057 1434.000       62.07579 263.1815 5.768134 264.4779 5.732031 -1.296417      8.131885 
1 1 1 7  1  8   o 456.3134 6.002479 4268.974       112.1549 4258.000       158.4253 4280.000       158.7973 455.4099 8.495670 456.5852 8.493701 -1.175293      12.01330 
1 1 1 7  1  9   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  1  10  o 437.5480 5.797962 3924.109       103.8784 3890.000       146.0806 3959.000       147.7462 435.3948 8.193789 439.2368 8.214727 -3.841949      11.60258 
1 1 1 7  1  11  o 340.9766 4.789815 2382.095       66.87560 2331.000       93.33604 2436.000       95.86752 337.1784 6.760288 344.6865 6.792393 -7.508087      9.583220 
1 1 1 7  1  12  o 207.0623 3.628237 878.1440       30.76247 848.0000       43.25304 909.0000       43.76081 203.3695 5.198315 210.6296 5.073895 -7.260117      7.264082 
1 1 1 7  1  13  o 128.1613 3.315196 336.6161       17.38304 308.4000       24.21829 366.6000       24.96539 122.5966 4.833846 133.6955 4.567045 -11.09892      6.650110 
1 1 1 7  1  14  o 238.9909 3.154385 1169.721       30.86884 1162.515       37.86543 1184.000       53.30077 238.2359 3.881605 240.3776 5.415207 -2.141739      6.662682 
1 1 1 7  1  15  o 136.3353 2.762007 380.6392       15.41904 367.8928       19.03009 405.0000       26.30830 133.9790 3.471727 140.5270 4.578136 -6.547913      5.745626 
1 1 1 7  1  16  o 329.5532 4.676317 2225.219       63.10356 2283.000       91.58714 2173.000       87.06808 333.6719 6.703328 325.5468 6.531623 8.125061       9.359311 
1 1 1 7  1  17  o 98.13066 3.016720 197.4117       12.10732 199.7437       15.61821 193.9000       19.16597 98.66756 3.873262 97.15212 4.833034 1.515434       6.193575 
1 1 1 7  1  18  o 102.7624 3.021897 216.4856       12.70183 218.6536       16.36444 213.2000       20.14549 103.2329 3.878210 101.8738 4.843242 1.359093       6.204636 
1 1 1 7  1  19  o 316.5737 3.735782 2053.488       48.42624 2066.574       59.98565 2029.000       82.05820 317.5140 4.613813 314.4399 6.373235 3.074066       7.867998 
1 1 1 7  1  20  o 232.5494 3.855581 1108.327       36.71381 1102.000       53.39810 1114.000       50.56038 231.7511 5.627034 233.0382 5.298572 -1.287048      7.729060 
1 1 1 7  1  21  o 116.7953 3.035333 279.6755       14.50400 268.6982       18.82745 295.7000       22.74768 114.4167 4.024896 119.9875 4.638691 -5.570869      6.141436 
1 1 1 7  1  22  o 162.5649 2.535478 541.3836       16.87762 573.8647       25.30258 515.3474       22.65362 167.3151 3.693221 158.5659 3.489020 8.749237       5.080664 
1 1 1 7  1  23  o 322.8255 3.298327 2136.178       43.59995 2149.960       62.58796 2123.184       60.77144 323.6669 4.722457 321.6625 4.613969 2.004456       6.602296 
1 1 1 7  1  24  o 158.0957 3.869025 512.7266       25.04643 537.8000       37.58642 492.7000       33.59133 161.6327 5.687936 154.7537 5.308910 6.879044       7.780562 
1 1 1 7  1  25  o 176.1572 3.908963 636.9186       28.19593 624.9000       40.90351 647.8000       38.92048 174.1417 5.744183 177.3797 5.364748 -3.238022      7.859781 
1 1 1 7  1  26  o 142.3639 4.101375 416.7504       23.88366 392.8000       34.57896 438.6000       33.02760 137.8358 6.142113 145.7938 5.542494 -7.958008      8.273136 
1 1 1 7  1  27  o 152.7271 3.025663 478.7134       18.92174 478.3291       22.65475 479.6000       34.40862 152.5855 3.625947 152.3424 5.525123 0.2430878      6.608666 
1 1 1 7  1  28  o 65.09801 4.021001 87.54905       10.66600 83.30224       12.17160 101.6000       22.13957 63.38333 4.723697 69.30677 7.944789 -5.923443      9.242996 
1 1 1 7  1  29  o 56.52668 4.710958 66.45704       10.80499 66.45704       10.80499 0.000000       0.000000 56.52668 4.710958 ?        ?        ?              ?        
1 1 1 7  1  30  o 70.48794 3.841554 102.7833       11.04591 103.3000       12.72104 101.2000       22.26964 70.54706 4.426020 68.75800 8.062785 1.789055       9.197726 
1 1 1 7  1  31  o 31.55863 10.40619 21.26887       15.59755 15.68000       24.71136 24.97000       20.10955 32.01033 12.68397 34.34538 11.81727 -2.335045      17.33582 
1 1 1 7  1  32  o 108.0602 4.511787 243.2627       19.91969 257.9000       30.43992 232.3000       26.34341 110.0911 6.785507 104.8132 6.165298 5.277969       9.168097 
1 1 1 7  1  33  o 104.7227 4.643277 229.5050       19.86136 209.4000       29.63463 245.9000       26.76107 98.38715 7.410381 107.5707 6.100548 -9.183563      9.598460 
1 1 1 7  1  34  o 71.51887 5.967109 109.5904       17.31558 102.6000       26.64626 114.7000       22.78131 66.57219 10.09100 72.04665 7.848945 -5.474464      12.78414 
1 1 1 7  1  35  o 45.24142 8.766859 47.29344       15.65413 67.86000       23.79489 31.60000       20.78557 52.54716 11.38823 35.86534 12.01831 16.68182       16.55692 
1 1 1 7  1  36  o 23.13605 9.781626 5.418447       15.95008 9.660000       22.71637 1.294000       22.40058 27.30563 11.61423 24.86610 11.03460 2.439528       16.02039 
1 1 1 7  1  37  o 25.54123 10.13160 12.71639       15.78285 3.384000       23.06040 20.94000       21.64721 25.12736 11.17064 30.10975 11.89022 -4.982397      16.31443 
1 1 1 7  1  38  o 29.05112 10.34451 21.06686       15.49241 11.20000       23.38906 28.78000       20.67945 26.85668 11.60950 32.61770 11.90683 -5.761021      16.62989 
1 1 1 7  1  39  o 27.62008 10.41030 18.15944       16.04252 39.71000       24.33048 1.584000       21.33801 36.66969 12.97290 23.57560 10.59360 13.09410       16.74875 
1 1 1 7  1  40  o 22.97028 9.812827 7.180196       16.34097 26.65000       24.12502 -9.325000      22.21249 31.17853 12.47378 21.28766 10.00110 9.890869       15.98803 
1 1 1 7  1  41  o 44.21581 9.955365 52.40028       17.58892 47.95000       25.86253 56.23000       23.99166 37.56449 13.36662 42.00010 12.79673 -4.435608      18.50467 
1 1 1 7  2  -41 o 30.68170 9.591662 25.62041       13.37633 22.16000       25.22470 26.97418       15.77736 28.53235 12.19045 30.79504 10.47068 -2.262690      16.06991 
1 1 1 7  2  -40 o 43.44227 7.941332 45.82341       13.60597 18.11000       25.90825 56.37723       15.98814 28.28627 12.22308 47.77565 8.483477 -19.48939      14.87861 
1 1 1 7  2  -39 o 40.07498 6.060279 36.20595       9.634410 27.82399       12.32646 49.36615       15.44532 33.36818 8.870028 44.91954 8.711697 -11.55136      12.43266 
1 1 1 7  2  -38 o 55.09210 5.880411 67.40353       13.06058 52.88000       15.28998 106.6000       25.11854 47.04125 8.237881 65.50845 9.653275 -18.46720      12.69048 
1 1 1 7  2  -37 o 53.03392 8.081057 66.25394       16.99498 54.08000       23.53892 79.51000       24.56281 43.69938 12.51546 54.97332 11.29012 -11.27394      16.85537 
1 1 1 7  2  -36 o 46.79877 9.013128 52.35743       16.64515 28.65000       23.40714 76.61000       23.67473 33.52382 12.58781 55.16375 10.86785 -21.63993      16.63018 
1 1 1 7  2  -35 o 59.43705 7.150584 78.54013       17.05383 79.48000       24.98255 77.72000       23.33698 56.81653 11.13668 56.75778 10.42549 0.5875015E-01  15.25504 
1 1 1 7  2  -34 o 47.35482 9.011158 51.75967       16.83488 55.75000       25.69872 48.76000       22.28151 46.58955 12.98668 44.15377 12.00890 2.435776       17.68806 
1 1 1 7  2  -33 o 45.48963 9.555320 47.78297       17.23140 23.49000       27.86772 62.82000       21.92512 34.36618 13.51549 51.64388 10.71940 -17.27771      17.25033 
1 1 1 7  2  -32 o 53.79409 8.274394 63.97120       17.64305 51.89000       30.26535 70.19000       21.71423 45.71822 14.44664 55.56639 9.906873 -9.848164      17.51718 
1 1 1 7  2  -31 o 20.95647 9.580824 -9.836996      18.38974 -0.7418000     32.42432 -14.15000      22.32825 30.36634 13.38470 22.44540 10.36890 7.920942       16.93116 
1 1 1 7  2  -30 o 49.32513 15.83113 57.84000       36.22927 57.84000       36.22927 0.000000       0.000000 49.32513 15.83113 ?        ?        ?              ?        
1 1 1 7  2  -29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  2  -28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  2  -27 o 97.39813 6.044111 197.1557       23.98624 226.2000       41.41896 182.5000       29.42204 103.1076 9.933129 93.23466 7.777525 9.872978       12.61574 
1 1 1 7  2  -26 o 160.9743 4.720644 533.9308       31.08228 574.4000       49.85572 508.2000       39.75390 166.2268 7.342816 156.6785 6.208784 9.548248       9.615921 
1 1 1 7  2  -25 o 108.3738 5.800981 242.7422       25.64866 286.7000       43.92492 220.0000       31.59438 117.0031 9.243350 102.8122 7.557648 14.19090       11.93975 
1 1 1 7  2  -24 f 180.6716 4.609973 670.9605       34.07672 729.4000       54.97681 634.5000       43.42479 187.8636 7.159920 175.4374 6.053998 12.42612       9.376318 
1 1 1 7  2  -23 o 231.6547 4.533690 1101.542       43.00485 1025.000       62.34949 1171.000       59.39417 222.9917 6.836488 238.5229 6.086171 -15.53125      9.153089 
1 1 1 7  2  -22 o 85.18894 6.611920 150.1529       22.88358 151.4000       37.29616 149.4000       28.97959 84.77088 11.00410 84.68984 8.470260 0.8103943E-01  13.88652 
1 1 1 7  2  -21 o 74.33993 9.173909 115.7000       27.33371 0.000000       0.000000 115.7000       27.33371 ?        ?        74.33993 9.173909 ?              ?        
1 1 1 7  2  -20 o 100.4110 6.969399 208.2000       28.47720 0.000000       0.000000 208.2000       28.47720 ?        ?        100.4110 6.969399 ?              ?        
1 1 1 7  2  -19 o 386.1190 5.475252 3058.699       86.56647 3105.000       125.7563 3017.000       119.3423 388.5950 7.903293 383.1093 7.607596 5.485718       10.96985 
1 1 1 7  2  -18 o 409.5908 5.681782 3441.259       95.29259 3288.000       131.2690 3612.000       138.5541 399.9919 8.014687 419.2253 8.071375 -19.23349      11.37463 
1 1 1 7  2  -17 f 370.1046 5.274165 2808.272       79.92867 2680.000       110.3205 2950.000       115.9629 361.3060 7.456874 379.0675 7.470986 -17.76147      10.55560 
1 1 1 7  2  -16 o 399.2164 5.534245 3267.163       90.46719 3179.000       126.3194 3360.000       129.6245 393.5382 7.838963 404.5883 7.824371 -11.05011      11.07565 
1 1 1 7  2  -15 o 221.1165 4.086892 1001.606       37.00315 1009.000       54.53899 995.3000       50.37002 221.7727 6.011395 220.2913 5.588577 1.481430       8.207866 
1 1 1 7  2  -14 o 519.3307 6.786819 5529.986       144.3227 5624.000       208.1853 5443.000       200.2520 523.3214 9.715322 514.8657 9.498572 8.455688       13.58714 
1 1 1 7  2  -13 o 147.9987 3.881611 448.9547       23.50279 497.5000       36.38609 414.2000       30.78705 155.7032 5.716779 142.0777 5.301273 13.62553       7.796477 
1 1 1 7  2  -12 o 550.6083 7.111889 6215.929       160.3438 6415.000       233.7472 6039.000       220.3648 558.9282 10.21330 542.3459 9.922967 16.58234       14.23997 
1 1 1 7  2  -11 o 223.8727 3.988764 1026.588       36.56486 994.2000       52.11032 1058.000       51.31979 220.1814 5.784889 227.2244 5.515761 -7.043015      7.993032 
1 1 1 7  2  -10 o 421.8864 5.720559 3647.620       98.82308 3800.000       145.1633 3516.000       134.9129 430.3830 8.237155 414.0159 7.958148 16.36713       11.45351 
1 1 1 7  2  -9  o 280.4097 4.336722 1610.790       49.79423 1572.000       69.79548 1651.000       71.06091 276.9292 6.155086 283.8046 6.114866 -6.875397      8.676212 
1 1 1 7  2  -8  o 49.97279 6.502967 52.06133       12.99136 32.27000       19.39752 68.16000       17.49459 39.23831 11.39917 57.13478 7.671574 -17.89647      13.74024 
1 1 1 7  2  -7  o 186.8150 3.691185 714.8705       28.23593 717.8000       40.49985 712.1000       39.38669 187.0752 5.292361 186.3382 5.167050 0.7370300      7.396451 
1 1 1 7  2  -6  o 217.0061 3.818209 964.6605       33.92782 975.4000       48.65986 954.5000       47.33014 218.1492 5.447444 215.8034 5.356180 2.345840       7.639588 
1 1 1 7  2  -5  o 347.2440 4.917898 2470.972       69.92599 2387.000       96.45367 2564.000       101.5214 341.1387 6.904994 353.5504 7.012645 -12.41165      9.841552 
1 1 1 7  2  -4  o 282.5605 6.067120 1637.000       70.19700 0.000000       0.000000 1637.000       70.19700 ?        ?        282.5605 6.067120 ?              ?        
1 1 1 7  2  -3  o 230.9151 5.451797 1093.000       51.54855 0.000000       0.000000 1093.000       51.54855 ?        ?        230.9151 5.451797 ?              ?        
1 1 1 7  2  -2  o 257.1813 5.733164 1356.000       60.37515 0.000000       0.000000 1356.000       60.37515 ?        ?        257.1813 5.733164 ?              ?        
1 1 1 7  2  -1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  2  0   o 320.0858 4.618897 2099.480       60.53815 2104.000       85.80434 2095.000       85.42467 320.2877 6.542514 319.6032 6.527514 0.6844482      9.241911 
1 1 1 7  2  1   o 207.2084 5.238015 880.6000       44.40688 880.6000       44.40688 0.000000       0.000000 207.2084 5.238015 ?        ?        ?              ?        
1 1 1 7  2  2   o 236.9569 5.512126 1151.000       53.48266 1151.000       53.48266 0.000000       0.000000 236.9569 5.512126 ?        ?        ?              ?        
1 1 1 7  2  3   o 320.8272 6.548532 2111.000       86.02795 2111.000       86.02795 0.000000       0.000000 320.8272 6.548532 ?        ?        ?              ?        
1 1 1 7  2  4   o 215.6817 3.738929 952.9297       33.02060 954.6000       46.98711 951.3000       46.41451 215.8098 5.317204 215.4389 5.261446 0.3708496      7.480339 
1 1 1 7  2  5   o 380.6740 5.216262 2969.990       81.30869 2972.000       115.2613 2968.000       114.7163 380.6017 7.395854 380.3487 7.365784 0.2529602      10.43808 
1 1 1 7  2  6   o 141.1235 2.742400 407.8635       15.84727 402.8163       19.30253 418.3000       27.75662 140.2377 3.361439 142.7985 4.753616 -2.560852      5.822039 
1 1 1 7  2  7   o 342.3163 3.931826 2400.419       55.11201 2357.866       66.58372 2493.000       98.21152 339.2234 4.793557 348.6587 6.879193 -9.435303      8.384598 
1 1 1 7  2  8   o 156.1998 3.432771 499.7198       21.95582 473.5000       31.06193 525.9000       31.03852 151.9312 4.999758 160.1407 4.738629 -8.209534      6.888555 
1 1 1 7  2  9   o 160.0321 2.771638 524.4623       18.16218 525.5220       22.34658 522.4000       31.17368 160.1837 3.406969 159.6077 4.775276 0.5760498      5.866063 
1 1 1 7  2  10  o 80.44780 3.073104 132.7327       10.10454 137.4840       12.53096 123.9000       17.08531 81.84332 3.749140 77.57058 5.412964 4.272736       6.584545 
1 1 1 7  2  11  o 47.44167 4.454981 46.51232       8.552999 46.74968       10.94488 46.14000       13.70773 47.41576 5.754882 46.86976 7.386755 0.5459976      9.363911 
1 1 1 7  2  12  o 579.6874 6.024966 6887.024       143.0121 6867.254       174.8362 6927.000       248.6086 578.7053 7.378186 580.7639 10.45423 -2.058594      12.79565 
1 1 1 7  2  13  o 130.9771 3.436684 351.5894       18.41552 367.0000       27.46378 339.0000       24.82295 133.7421 5.023896 128.5484 4.723910 5.193665       6.896003 
1 1 1 7  2  14  o 279.4883 3.461654 1599.884       39.61609 1599.824       48.80553 1600.000       67.82921 279.4552 4.265132 279.3945 5.928904 0.6063843E-01  7.303647 
1 1 1 7  2  15  o 116.3604 2.931083 277.4686       13.95442 295.1310       18.08776 251.5000       21.93235 119.9775 3.686177 110.6810 4.851143 9.296532       6.092741 
1 1 1 7  2  16  o 350.0953 4.015248 2511.087       57.56030 2479.458       70.19638 2576.000       100.5634 347.8237 4.928686 354.3537 6.930721 -6.529968      8.504519 
1 1 1 7  2  17  f 118.2042 2.973762 286.3677       14.38197 292.9309       18.92675 277.4000       22.12377 119.5081 3.872828 116.2457 4.657341 3.262474       6.057196 
1 1 1 7  2  18  o 97.09209 3.220410 193.3317       12.78551 214.8878       17.47500 168.5000       18.75575 102.3117 4.180066 90.50950 5.081163 11.80216       6.579602 
1 1 1 7  2  19  o 362.7180 5.044752 2698.340       74.92613 2637.000       105.4024 2761.000       106.5297 358.2478 7.185259 366.5900 7.096852 -8.342194      10.09917 
1 1 1 7  2  20  o 291.1515 3.115846 1736.863       37.14662 1750.121       43.64179 1702.000       70.77049 292.2190 3.647285 287.9152 6.002929 4.303833       7.024090 
1 1 1 7  2  21  o 111.9350 3.250800 256.9861       14.88402 253.2211       20.72036 261.0000       21.39417 111.0132 4.568009 112.7015 4.645940 -1.688248      6.515479 
1 1 1 7  2  22  o 292.1535 4.561860 1751.352       54.57294 1751.352       54.57294 0.000000       0.000000 292.1535 4.561860 ?        ?        ?              ?        
1 1 1 7  2  23  o 233.8875 4.209500 1122.478       40.31455 1122.478       40.31455 0.000000       0.000000 233.8875 4.209500 ?        ?        ?              ?        
1 1 1 7  2  24  f 161.7529 5.984827 539.4000       39.57114 539.4000       39.57114 0.000000       0.000000 161.7529 5.984827 ?        ?        ?              ?        
1 1 1 7  2  25  o 66.46758 7.040345 92.32833       18.87046 92.32833       18.87046 0.000000       0.000000 66.46758 7.040345 ?        ?        ?              ?        
1 1 1 7  2  26  o 159.5474 3.237083 522.5275       21.14793 553.0000       27.15968 475.6000       33.70422 164.0136 4.044086 151.7601 5.432547 12.25352       6.772532 
1 1 1 7  2  27  o 42.65543 7.206429 38.84127       12.13898 39.05116       15.92298 38.55000       18.75737 42.29928 9.433550 41.85801 10.85397 0.4412727      14.38056 
1 1 1 7  2  28  o 42.47037 9.011466 39.43156       15.18551 22.88000       27.04796 47.05000       18.35051 36.03786 13.53149 46.23028 9.986186 -10.19242      16.81741 
1 1 1 7  2  29  o 38.22597 13.58506 29.72000       26.70707 29.72000       26.70707 0.000000       0.000000 38.22597 13.58506 ?        ?        ?              ?        
1 1 1 7  2  30  o 63.04376 4.403982 82.68363       11.29724 85.47084       13.74486 76.88000       19.83377 63.87873 5.302603 59.56459 8.361867 4.314148       9.901435 
1 1 1 7  2  31  o 123.2392 3.079116 313.0837       15.53815 294.2241       18.57099 357.1000       28.37102 119.1956 3.809854 130.6388 5.314791 -11.44313      6.539265 
1 1 1 7  2  32  o 75.47177 3.514402 118.1298       10.83094 116.3867       12.62127 123.0000       21.09657 74.72639 4.141008 75.67667 6.883334 -0.9502716     8.032947 
1 1 1 7  2  33  o 88.49635 3.115125 162.1715       11.27061 162.6926       13.11531 160.7000       22.03909 88.46113 3.628477 86.63293 6.254898 1.828194       7.231154 
1 1 1 7  2  34  o 18.36737 8.468989 -8.589662      14.79434 -15.79000      24.22160 -4.305000      18.68464 22.48744 10.52594 21.99028 9.894485 0.4971619      14.44632 
1 1 1 7  2  35  o 84.13964 5.424121 151.6816       18.58808 128.3000       28.00251 170.1000       24.85337 74.14462 9.436987 87.88582 6.963115 -13.74120      11.72782 
1 1 1 7  2  36  o 16.18599 7.821720 -20.18205      15.72309 -28.32000      23.85378 -13.93000      20.90792 19.66515 9.534298 20.49094 9.650484 -0.8257980     13.56594 
1 1 1 7  2  37  o 19.60838 8.936184 -4.056640      15.83554 -13.68000      23.87348 3.504000       21.16078 21.63320 10.22595 24.17083 10.72554 -2.537624      14.81915 
1 1 1 7  2  38  o 30.49575 10.68818 23.98423       16.48688 23.91000       25.17128 24.04000       21.81844 30.93302 12.60947 30.68604 11.99129 0.2469807      17.40086 
1 1 1 7  2  39  o 21.55071 9.467600 2.720402       16.09924 -2.720000      24.62086 6.784000       21.27860 23.74647 10.94063 24.80968 10.89239 -1.063204      15.43831 
1 1 1 7  2  40  o 30.93968 10.92507 26.57429       17.24882 -0.5086000     25.99117 47.89000       23.05835 24.08258 11.14699 39.31309 12.63096 -15.23051      16.84626 
1 1 1 7  2  41  o 36.43544 11.13512 39.26406       18.14756 44.52000       28.54828 35.70000       23.50863 35.04427 13.71005 33.04966 12.56884 1.994614       18.59949 
1 1 1 7  3  -40 o 35.82474 9.456676 34.19956       14.07322 16.60000       25.81693 41.64034       16.78660 27.36676 12.00697 38.69846 10.38014 -11.33171      15.87182 
1 1 1 7  3  -39 o 13.20489 6.400757 -14.74056      10.73563 -11.65724      12.15599 -25.67000      22.88653 15.01473 7.154691 18.90639 9.205844 -3.891662      11.65921 
1 1 1 7  3  -38 o 24.08036 8.729223 13.04048       11.08775 10.91093       12.75180 19.64000       22.44827 23.40080 9.160575 29.12409 11.89436 -5.723284      15.01306 
1 1 1 7  3  -37 o 37.39542 7.506300 32.93768       11.09409 33.73618       12.71433 30.39000       22.71072 37.17324 8.533654 33.16002 12.40993 4.013222       15.06086 
1 1 1 7  3  -36 o 53.19131 5.374435 61.75168       11.54532 67.92292       13.30584 42.95000       23.22492 55.42840 5.955860 38.95369 12.68986 16.47470       14.01802 
1 1 1 7  3  -35 o 14.97322 6.854390 -4.924004      9.453343 -10.90334      10.69858 16.37000       20.18962 14.32559 6.793450 28.59840 11.42134 -14.27281      13.28902 
1 1 1 7  3  -34 o 42.71680 6.049094 39.89140       10.28503 46.66351       11.74080 17.55000       21.32509 46.09481 6.392254 29.88466 11.80140 16.21015       13.42140 
1 1 1 7  3  -33 o 59.70071 4.485886 75.10677       10.88590 77.80776       12.35761 65.75000       23.00040 60.55273 5.029337 52.26206 11.09155 8.290672       12.17853 
1 1 1 7  3  -32 o 82.11142 3.771371 140.2915       12.64637 150.1564       14.70013 112.2000       24.80629 84.77412 4.248344 70.96226 8.720226 13.81187       9.700040 
1 1 1 7  3  -31 o 28.22175 7.706986 17.68702       9.155381 8.988614       10.14797 55.74000       21.22530 22.45657 8.316504 49.00087 10.86373 -26.54430      13.68155 
1 1 1 7  3  -30 o 61.67190 4.396227 79.29464       11.02896 81.35325       12.57229 72.42000       22.97487 62.31826 4.968009 56.73930 10.26667 5.578964       11.40551 
1 1 1 7  3  -29 o 151.2862 3.231728 471.3364       20.01974 475.9925       24.42283 461.8000       34.95236 151.7694 3.933267 148.7074 5.750941 3.062042       6.967346 
1 1 1 7  3  -28 o 209.1532 4.471701 903.8590       38.29673 822.0000       57.35927 969.7000       51.44210 197.9802 7.086936 215.8780 5.824826 -17.89775      9.173510 
1 1 1 7  3  -27 o 50.24558 11.37984 56.17000       22.86769 0.000000       0.000000 56.17000       22.86769 ?        ?        50.24558 11.37984 ?              ?        
1 1 1 7  3  -26 o 58.75514 10.38054 74.94000       24.06105 0.000000       0.000000 74.94000       24.06105 ?        ?        58.75514 10.38054 ?              ?        
1 1 1 7  3  -25 o 173.0667 4.714362 617.0455       33.37768 604.3000       55.66623 624.2000       41.70662 170.2793 8.006145 173.7731 5.869780 -3.493820      9.927370 
1 1 1 7  3  -24 o 179.1989 8.188795 667.5000       59.92807 667.5000       59.92807 0.000000       0.000000 179.1989 8.188795 ?        ?        ?              ?        
1 1 1 7  3  -23 o 198.1483 7.725764 812.6000       62.56380 812.6000       62.56380 0.000000       0.000000 198.1483 7.725764 ?        ?        ?              ?        
1 1 1 7  3  -22 o 220.0796 4.654463 994.4056       41.94439 1015.000       67.41827 981.4000       53.57589 221.7471 7.435496 218.3541 5.997843 3.392929       9.553047 
1 1 1 7  3  -21 o 151.4913 4.801622 471.4964       29.74755 456.9000       50.39979 479.3000       36.85120 148.6079 8.315688 152.6058 5.908504 -3.997940      10.20103 
1 1 1 7  3  -20 o 42.79224 11.38325 39.27564       20.29209 28.71000       39.70880 43.01000       23.60734 43.19456 16.35646 44.83950 12.42763 -1.644943      20.54215 
1 1 1 7  3  -19 o 96.67702 5.696856 192.5196       22.45193 194.7000       39.77496 191.5000       27.19959 96.58642 10.21145 96.27791 6.946095 0.3085098      12.34998 
1 1 1 7  3  -18 o 126.0294 4.724308 326.1733       24.33689 316.3000       40.16757 331.9000       30.59116 123.7567 7.968871 127.0267 5.897439 -3.269951      9.913762 
1 1 1 7  3  -17 o 214.7432 4.217315 945.1815       37.08344 978.7000       56.61850 920.0000       49.07458 218.2738 6.341514 211.6935 5.666507 6.580338       8.504357 
1 1 1 7  3  -16 o 292.1594 4.590767 1749.544       54.91988 1804.000       80.90205 1703.000       74.79394 296.4861 6.663935 288.0995 6.340151 8.386688       9.198127 
1 1 1 7  3  -15 o 192.3763 4.050235 758.2687       31.90482 738.3000       46.87804 775.5000       43.54639 189.6434 6.044528 194.4128 5.475649 -4.769455      8.155921 
1 1 1 7  3  -14 o 296.0244 6.385207 1797.000       77.39749 0.000000       0.000000 1797.000       77.39749 ?        ?        296.0244 6.385207 ?              ?        
1 1 1 7  3  -13 o 510.6597 6.683263 5347.298       139.7477 5424.000       200.6206 5275.000       194.7750 513.8951 9.534033 506.8123 9.385593 7.082855       13.37861 
1 1 1 7  3  -12 o 482.3080 6.362202 4768.685       125.6482 4792.000       178.9245 4746.000       176.4874 483.1706 9.043672 480.8570 8.963412 2.313660       12.73306 
1 1 1 7  3  -11 o 213.3221 3.906266 932.1010       34.12103 954.1000       49.77580 912.6000       46.86454 215.6983 5.640531 210.9646 5.429645 4.733673       7.829217 
1 1 1 7  3  -10 o 192.9998 3.815792 762.9396       30.15545 751.1000       43.39099 774.0000       41.93859 191.3718 5.543131 194.2851 5.276577 -2.913284      7.653011 
1 1 1 7  3  -9  o 669.4100 8.448138 9193.166       231.5675 9400.000       334.5847 9003.000       320.8206 676.1778 12.08428 661.8003 11.83889 14.37750       16.91712 
1 1 1 7  3  -8  o 180.9791 3.742010 670.8564       27.73051 688.9000       40.75427 655.3000       37.84128 183.2747 5.436588 178.7604 5.175205 4.514374       7.505947 
1 1 1 7  3  -7  o 325.5215 4.738108 2170.930       63.15518 2144.000       89.19960 2198.000       89.43067 323.3851 6.736255 327.4366 6.670139 -4.051514      9.479867 
1 1 1 7  3  -6  o 360.8515 5.068357 2668.092       74.88937 2701.000       107.4448 2637.000       104.4383 362.9190 7.230213 358.6031 7.112488 4.315979       10.14216 
1 1 1 7  3  -5  o 145.5497 3.594333 433.9110       21.42171 466.1000       31.97559 407.7000       28.85407 150.7283 5.188565 140.9686 5.006689 9.759766       7.210280 
1 1 1 7  3  -4  o 255.6685 4.090388 1339.034       42.82192 1290.000       59.42476 1392.000       61.76150 250.8736 5.784797 260.6030 5.787806 -9.729446      8.183066 
1 1 1 7  3  -3  o 275.5867 3.440701 1555.562       38.82661 1549.525       47.32003 1568.000       67.92256 275.0240 4.201942 276.5719 5.997657 -1.547913      7.323129 
1 1 1 7  3  -2  f 239.0947 3.188615 1170.815       31.21737 1144.850       37.64339 1228.000       55.86349 236.4081 3.888678 244.7746 5.573620 -8.366516      6.796106 
1 1 1 7  3  -1  o 141.6393 2.785089 410.8478       16.15278 404.7068       19.56369 424.0000       28.63049 140.5673 3.398928 143.7657 4.870535 -3.198380      5.939261 
1 1 1 7  3  0   o 306.5482 3.665133 1924.858       46.00583 1870.488       55.16795 2049.000       83.36195 302.1533 4.458975 316.1221 6.440040 -13.96884      7.833043 
1 1 1 7  3  1   o 208.0207 3.630740 886.3599       30.92617 912.7000       43.85358 860.3000       43.61977 211.0421 5.074714 204.8236 5.205123 6.218506       7.269527 
1 1 1 7  3  2   f 170.9211 3.403688 598.3586       23.82154 586.3000       32.92789 611.6000       34.50490 169.0905 4.760501 172.6961 4.884390 -3.605545      6.820530 
1 1 1 7  3  3   o 217.1629 3.676924 965.9776       32.69600 972.0000       46.13399 959.9000       46.34499 217.7894 5.173208 216.4273 5.229573 1.362015       7.355985 
1 1 1 7  3  4   o 302.2867 4.423418 1872.045       54.75218 1797.000       74.93416 1958.000       80.19591 296.0737 6.180956 309.0423 6.337382 -12.96860      8.852493 
1 1 1 7  3  5   o 345.5297 4.853779 2446.243       68.67359 2535.000       99.66211 2366.000       94.76138 351.6023 6.922356 339.6884 6.812809 11.91388       9.712537 
1 1 1 7  3  6   o 207.2767 3.003882 879.8697       25.49517 872.5522       31.19137 894.6000       44.25473 206.3982 3.690661 208.9466 5.172493 -2.548431      6.354185 
1 1 1 7  3  7   o 124.7290 3.527218 318.8876       17.99648 318.8876       17.99648 0.000000       0.000000 124.7290 3.527218 ?        ?        ?              ?        
1 1 1 7  3  8   o 520.9735 6.744426 5564.214       143.8749 5564.214       143.8749 0.000000       0.000000 520.9735 6.744426 ?        ?        ?              ?        
1 1 1 7  3  9   o 288.3643 4.336330 1703.378       51.20215 1703.378       51.20215 0.000000       0.000000 288.3643 4.336330 ?        ?        ?              ?        
1 1 1 7  3  10  o 205.9928 3.014364 868.9850       25.42566 889.9281       31.65369 830.9000       42.68562 208.4463 3.708564 201.3101 5.182662 7.136154       6.372867 
1 1 1 7  3  11  o 239.2709 3.195134 1172.481       31.30426 1156.798       38.30885 1204.000       54.30824 237.6466 3.936798 242.3946 5.471650 -4.748016      6.740722 
1 1 1 7  3  12  o 317.3707 4.587446 2063.560       59.61592 2137.000       87.16080 1999.000       81.72114 322.8546 6.593103 312.2691 6.391179 10.58545       9.182384 
1 1 1 7  3  13  o 385.4849 5.266792 3045.296       83.13386 3161.000       121.6777 2944.000       113.8503 392.5373 7.570173 378.8468 7.339154 13.69046       10.54375 
1 1 1 7  3  14  o 457.5724 4.934274 4290.731       92.45011 4234.296       112.2107 4410.000       163.1264 454.4455 6.030149 463.4355 8.596281 -8.990021      10.50042 
1 1 1 7  3  15  o 281.1980 3.497954 1619.801       40.27640 1602.466       49.44091 1654.000       69.44553 279.6484 4.317673 283.9990 5.971770 -4.350647      7.369148 
1 1 1 7  3  16  o 83.55279 4.074994 143.3942       13.89954 157.6000       22.55816 134.7000       17.64758 87.41378 6.345508 80.87345 5.359345 6.540329       8.305904 
1 1 1 7  3  17  o 249.0655 3.307869 1270.919       33.73543 1278.845       42.26226 1257.000       56.00735 249.7931 4.131881 247.5467 5.525398 2.246445       6.899454 
1 1 1 7  3  18  o 191.0074 3.899645 747.7813       30.50000 747.7813       30.50000 0.000000       0.000000 191.0074 3.899645 ?        ?        ?              ?        
1 1 1 7  3  19  o 422.3244 4.651200 3658.043       80.43324 3631.538       98.52671 3711.000       139.2678 420.6026 5.720812 424.6394 8.009511 -4.036865      9.842762 
1 1 1 7  3  20  o 281.7209 4.456893 1627.938       51.41333 1627.938       51.41333 0.000000       0.000000 281.7209 4.456893 ?        ?        ?              ?        
1 1 1 7  3  21  o 134.6516 4.352270 372.3508       23.96519 372.3508       23.96519 0.000000       0.000000 134.6516 4.352270 ?        ?        ?              ?        
1 1 1 7  3  22  o 165.8002 4.226652 564.4717       28.67159 564.4717       28.67159 0.000000       0.000000 165.8002 4.226652 ?        ?        ?              ?        
1 1 1 7  3  23  o 124.3081 4.783233 317.9727       24.30156 317.9727       24.30156 0.000000       0.000000 124.3081 4.783233 ?        ?        ?              ?        
1 1 1 7  3  24  o 123.3204 4.784803 313.2346       24.11564 313.2346       24.11564 0.000000       0.000000 123.3204 4.784803 ?        ?        ?              ?        
1 1 1 7  3  25  o 123.3189 4.760223 313.5552       23.99192 313.5552       23.99192 0.000000       0.000000 123.3189 4.760223 ?        ?        ?              ?        
1 1 1 7  3  26  o 82.57458 5.936910 141.8019       19.93989 141.8019       19.93989 0.000000       0.000000 82.57458 5.936910 ?        ?        ?              ?        
1 1 1 7  3  27  o 136.2312 4.506988 383.2910       25.10666 383.2910       25.10666 0.000000       0.000000 136.2312 4.506988 ?        ?        ?              ?        
1 1 1 7  3  28  o 73.12156 6.733473 112.6284       19.93461 112.6284       19.93461 0.000000       0.000000 73.12156 6.733473 ?        ?        ?              ?        
1 1 1 7  3  29  o 46.02326 9.853086 47.25902       18.00819 47.25902       18.00819 0.000000       0.000000 46.02326 9.853086 ?        ?        ?              ?        
1 1 1 7  3  30  o 25.55466 8.895252 12.98264       11.40810 5.296736       15.63223 21.74000       16.68629 23.93434 9.866645 31.93073 10.76868 -7.996395      14.60532 
1 1 1 7  3  31  o 54.81188 5.351535 63.54279       11.85814 70.22672       16.15281 55.73000       17.46367 57.00023 7.072276 49.93843 8.865055 7.061798       11.34047 
1 1 1 7  3  32  o 46.97906 9.219337 50.35000       17.10129 0.000000       0.000000 50.35000       17.10129 ?        ?        46.97906 9.219337 ?              ?        
1 1 1 7  3  33  o 57.84828 4.988429 71.01376       11.70090 83.98000       14.92998 50.37000       18.83852 62.51969 5.901850 46.08622 10.24787 16.43348       11.82584 
1 1 1 7  3  34  o 61.62410 4.764720 80.61925       11.92967 77.25000       14.61722 87.34000       20.64465 59.66538 6.067287 62.00616 8.342557 -2.340775      10.31553 
1 1 1 7  3  35  o 51.59019 5.291846 57.53910       11.02061 57.71000       13.12221 57.13000       20.30221 51.05153 6.418871 47.84864 10.63760 3.202888       12.42418 
1 1 1 7  3  36  o 24.09439 7.588979 13.39913       8.358081 14.44148       9.123193 7.955000       20.84992 24.91465 7.938833 25.44876 10.98089 -0.5341034     13.55009 
1 1 1 7  3  37  o 28.65374 10.59153 20.19310       16.44565 -3.605000      25.43042 37.30000       21.56096 24.01355 11.08352 36.23781 12.24098 -12.22426      16.51321 
1 1 1 7  3  38  o 31.68262 10.93706 26.55406       17.23032 18.77000       25.99967 32.65000       23.00832 29.42121 12.46603 33.93938 12.53095 -4.518173      17.67559 
1 1 1 7  3  39  o 19.66283 9.046835 -4.538676      16.75432 0.1077000E-01  25.82322 -7.846000      22.01758 24.39598 11.22708 21.43257 10.03329 2.963411       15.05704 
1 1 1 7  3  40  o 29.09503 10.99717 23.64320       17.93096 27.13000       28.35621 21.32000       23.14612 30.27617 12.92996 28.38244 11.87825 1.893724       17.55782 
1 1 1 7  4  -40 o 34.53247 9.686400 32.66803       14.24904 32.18000       27.66335 32.84428       16.62399 31.21721 13.01932 33.56622 10.71875 -2.349012      16.86399 
1 1 1 7  4  -39 f 31.23090 9.034166 25.42698       12.20742 21.95327       13.94337 36.83000       25.26276 28.71411 9.841470 33.74490 12.98046 -5.030787      16.28947 
1 1 1 7  4  -38 o 34.87450 8.460425 30.03893       11.95666 34.42319       13.73982 16.36000       24.26941 36.88515 9.143245 28.11118 11.98237 8.773972       15.07236 
1 1 1 7  4  -37 o 57.88254 5.459274 73.59128       12.78635 77.47438       14.86045 62.52000       25.09236 58.78258 6.270597 46.49831 12.78361 12.28428       14.23872 
1 1 1 7  4  -36 o 20.97058 8.496753 6.967034       11.34819 2.720949       13.24636 18.68000       22.00067 20.18880 8.732008 28.85446 11.77861 -8.665665      14.66232 
1 1 1 7  4  -35 o 60.41243 5.041888 78.81960       12.35861 82.52840       14.67180 69.76000       22.93088 61.23390 5.925452 51.97898 11.11067 9.254917       12.59198 
1 1 1 7  4  -34 o 30.29918 8.252025 21.56729       10.51261 19.46766       12.46838 26.73000       19.55139 28.78010 9.291886 32.93309 11.63121 -4.152987      14.88705 
1 1 1 7  4  -33 o 39.49489 6.813501 34.70929       10.62084 30.24598       12.49960 46.30000       20.14291 36.04242 8.591463 43.19796 11.27083 -7.155533      14.17198 
1 1 1 7  4  -32 o 74.73778 4.428485 117.3531       13.49176 130.0000       16.72872 93.82000       22.81978 78.27824 5.249467 64.35493 8.897536 13.92332       10.33068 
1 1 1 7  4  -31 o 40.04165 6.854696 35.16991       10.83502 41.10000       12.97117 21.48000       19.70828 43.04317 7.639315 31.90317 11.62727 11.14001       13.91232 
1 1 1 7  4  -30 o 70.06445 4.225902 102.3515       12.06752 106.8213       14.54065 92.46000       21.63070 71.32619 5.010512 64.91907 8.328816 6.407127       9.719795 
1 1 1 7  4  -29 o 52.91908 5.188628 58.91902       11.09882 49.49672       13.10131 82.87000       20.88804 47.96291 6.866570 61.61913 8.505202 -13.65622      10.93107 
1 1 1 7  4  -28 o 70.42480 4.270840 102.9427       12.25793 98.11569       14.47167 115.2000       23.06088 68.52271 5.196485 73.40623 7.791011 -4.883514      9.365005 
1 1 1 7  4  -27 o 41.40374 6.592083 36.62838       10.80164 30.15957       12.43228 56.55000       21.81729 37.08715 8.384188 50.32249 10.90363 -13.23534      13.75441 
1 1 1 7  4  -26 o 95.96470 3.734908 189.8340       14.64825 194.0919       17.67633 180.5000       26.17146 96.89611 4.467161 92.79986 6.937624 4.096252       8.251433 
1 1 1 7  4  -25 o 93.99032 3.910777 182.0411       15.01830 184.2565       18.01859 177.0000       27.18068 94.43178 4.674447 91.94913 7.278518 2.482651       8.650276 
1 1 1 7  4  -24 o 111.3132 3.968164 255.0138       18.05782 259.8000       22.52263 246.4000       30.21514 112.1988 4.914295 108.8595 6.812657 3.339272       8.400154 
1 1 1 7  4  -23 o 109.2652 4.038257 245.5901       18.03651 251.0000       22.43350 235.7000       30.33228 110.3296 4.978526 106.5348 6.991920 3.794891       8.583278 
1 1 1 7  4  -22 o 356.1221 5.059125 2607.640       73.77322 2525.000       99.61930 2708.000       109.7816 349.7705 6.955620 362.0296 7.405615 -12.25909      10.15991 
1 1 1 7  4  -21 o 172.9028 3.378402 613.0230       23.91871 586.9305       28.88874 669.9000       42.65199 169.1139 4.171814 180.3834 5.782021 -11.26952      7.129922 
1 1 1 7  4  -20 o 56.11422 5.756171 65.38249       13.03879 55.46800       15.10291 94.40000       25.83780 51.37575 7.391712 66.87035 9.720671 -15.49460      12.21183 
1 1 1 7  4  -19 o 68.64497 5.642372 97.42581       15.71982 97.42581       15.71982 0.000000       0.000000 68.64497 5.642372 ?        ?        ?              ?        
1 1 1 7  4  -18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  4  -17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  4  -16 o 121.1345 4.674080 301.3196       23.14049 325.9000       38.05645 286.9000       29.14810 125.7109 7.426258 118.0744 6.048948 7.636505       9.578053 
1 1 1 7  4  -15 o 206.8110 4.191541 876.6048       35.49537 898.1000       54.14034 860.4000       47.00795 209.0937 6.330765 204.7277 5.612808 4.365967       8.460626 
1 1 1 7  4  -14 f 117.6204 7.640494 285.3000       36.59924 285.3000       36.59924 0.000000       0.000000 117.6204 7.640494 ?        ?        ?              ?        
1 1 1 7  4  -13 o 88.46403 5.063703 160.9356       18.26591 140.5000       28.73015 174.8000       23.66435 82.24933 8.660451 92.10143 6.313035 -9.852104      10.71717 
1 1 1 7  4  -12 o 238.7041 3.954342 1167.314       38.65080 1208.000       54.45210 1126.000       54.87130 242.7581 5.477930 234.3613 5.717877 8.396759       7.918449 
1 1 1 7  4  -11 o 530.4440 5.610465 5767.223       121.8605 5699.561       147.6148 5912.000       215.9275 527.1779 6.838304 536.4309 9.830365 -9.252991      11.97491 
1 1 1 7  4  -10 o 278.4431 3.526066 1587.986       40.20233 1572.630       48.90237 1620.000       70.61067 277.0652 4.310458 281.1182 6.134187 -4.052948      7.497219 
1 1 1 7  4  -9  o 70.79488 4.307743 103.0506       12.42841 83.39000       15.85362 134.4000       20.01912 63.48412 6.176725 80.74592 6.099918 -17.26180      8.681067 
1 1 1 7  4  -8  o 563.3780 5.903811 6504.918       136.1936 6492.056       166.4210 6531.000       236.9844 562.6767 7.223117 563.9192 10.26310 -1.242493      12.55008 
1 1 1 7  4  -7  o 327.1586 3.859466 2192.289       51.70232 2178.416       62.96646 2221.000       90.58320 326.0874 4.715752 329.1504 6.720923 -3.062988      8.210306 
1 1 1 7  4  -6  o 113.6759 3.002917 264.8168       13.96547 270.6927       17.13724 253.2000       24.09608 114.9053 3.646922 111.0360 5.315218 3.869354       6.446052 
1 1 1 7  4  -5  o 524.6398 5.542287 5640.253       119.0624 5623.175       145.4067 5675.000       207.4092 523.7306 6.780350 525.7866 9.633721 -2.056030      11.78057 
1 1 1 7  4  -4  o 289.2892 3.562575 1714.027       42.20079 1695.765       51.35567 1752.000       74.05350 287.7177 4.359106 292.3683 6.185730 -4.650574      7.567368 
1 1 1 7  4  -3  o 39.59570 5.770168 32.80465       9.080434 30.58550       11.15646 37.16000       15.62948 37.96686 7.442421 41.72870 9.376352 -3.761837      11.97103 
1 1 1 7  4  -2  o 152.4839 2.878343 476.1558       17.97178 484.0078       22.27166 461.5000       30.42760 153.7265 3.538177 150.0009 4.960748 3.725510       6.093252 
1 1 1 7  4  -1  o 411.1020 4.537509 3462.250       76.38207 3479.320       93.96505 3429.000       131.1427 412.0506 5.569182 408.8765 7.832992 3.174103       9.611012 
1 1 1 7  4  0   o 459.4205 4.957531 4324.452       93.26103 4335.350       114.5261 4303.000       160.6800 459.9146 6.081391 457.9488 8.568811 1.965820       10.50751 
1 1 1 7  4  1   o 315.6455 3.754471 2040.681       48.52581 2060.527       59.95802 2003.000       82.61759 317.1428 4.617086 312.5902 6.454651 4.552582       7.935994 
1 1 1 7  4  2   o 77.33391 3.456199 122.7307       10.91678 117.8231       13.57877 131.7000       18.35726 75.71180 4.398927 79.96808 5.642400 -4.256279      7.154526 
1 1 1 7  4  3   o 645.4041 6.654250 8539.251       175.8552 8610.753       217.1498 8403.000       299.7567 647.8857 8.185340 639.4246 11.44867 8.461121       14.07380 
1 1 1 7  4  4   o 214.1823 3.072936 939.4631       26.95017 952.7135       33.39088 914.7000       45.64738 215.6723 3.781021 211.2846 5.276230 4.387756       6.491126 
1 1 1 7  4  5   o 278.5352 4.283134 1589.215       48.85019 1589.215       48.85019 0.000000       0.000000 278.5352 4.283134 ?        ?        ?              ?        
1 1 1 7  4  6   o 556.1659 5.832040 6339.063       132.8157 6499.447       166.4509 6058.000       220.3480 563.0121 7.220112 543.1993 9.906621 19.81274       12.25851 
1 1 1 7  4  7   o 344.1306 3.976408 2425.711       56.03232 2406.903       68.42422 2464.000       97.62718 342.7546 4.875309 346.6786 6.877320 -3.924042      8.430076 
1 1 1 7  4  8   o 323.2534 3.812583 2140.264       50.46460 2178.873       62.81753 2070.000       84.74266 326.1194 4.704136 317.7720 6.512715 8.347412       8.033950 
1 1 1 7  4  9   o 695.3264 8.725618 9922.004       248.4330 9917.000       351.4821 9927.000       351.1928 694.3250 12.36278 694.6794 12.34630 -0.3543701     17.47196 
1 1 1 7  4  10  o 551.8312 7.092723 6244.997       160.2668 6323.000       229.6994 6171.000       223.7218 554.7892 10.11131 548.1063 9.968256 6.682861       14.19876 
1 1 1 7  4  11  o 291.3303 4.377300 1738.865       52.21754 1781.000       75.89964 1701.000       71.95190 294.7304 6.289127 288.0470 6.100346 6.683350       8.761697 
1 1 1 7  4  12  o 362.4955 4.150363 2692.161       61.60459 2658.832       75.23064 2760.000       107.3307 360.1808 5.100935 366.7842 7.146424 -6.603455      8.780144 
1 1 1 7  4  13  o 268.0579 3.430584 1471.925       37.65487 1505.633       47.36017 1414.000       62.08436 271.0700 4.266850 262.6010 5.773797 8.469025       7.179327 
1 1 1 7  4  14  f 170.0030 3.762818 592.1496       26.19354 592.1496       26.19354 0.000000       0.000000 170.0030 3.762818 ?        ?        ?              ?        
1 1 1 7  4  15  o 229.7822 4.038013 1082.072       37.99342 1082.072       37.99342 0.000000       0.000000 229.7822 4.038013 ?        ?        ?              ?        
1 1 1 7  4  16  o 313.2832 4.689007 2012.462       60.15094 2012.462       60.15094 0.000000       0.000000 313.2832 4.689007 ?        ?        ?              ?        
1 1 1 7  4  17  o 76.04784 5.732718 119.3761       17.71994 119.3761       17.71994 0.000000       0.000000 76.04784 5.732718 ?        ?        ?              ?        
1 1 1 7  4  18  o 79.74127 5.673486 131.2054       18.40397 131.2054       18.40397 0.000000       0.000000 79.74127 5.673486 ?        ?        ?              ?        
1 1 1 7  4  19  o 111.6492 4.742676 256.2427       21.63282 256.2427       21.63282 0.000000       0.000000 111.6492 4.742676 ?        ?        ?              ?        
1 1 1 7  4  20  o 336.7605 4.966614 2328.395       68.48666 2328.395       68.48666 0.000000       0.000000 336.7605 4.966614 ?        ?        ?              ?        
1 1 1 7  4  21  o 183.3372 4.184094 689.8191       31.41061 689.8191       31.41061 0.000000       0.000000 183.3372 4.184094 ?        ?        ?              ?        
1 1 1 7  4  22  o 45.65300 10.61758 45.16940       19.47195 45.16940       19.47195 0.000000       0.000000 45.65300 10.61758 ?        ?        ?              ?        
1 1 1 7  4  23  o 160.8803 6.560241 535.5000       43.12560 535.5000       43.12560 0.000000       0.000000 160.8803 6.560241 ?        ?        ?              ?        
1 1 1 7  4  24  o 92.12778 7.219937 177.1000       27.01889 177.1000       27.01889 0.000000       0.000000 92.12778 7.219937 ?        ?        ?              ?        
1 1 1 7  4  25  o 184.6188 5.529046 705.1000       41.75042 705.1000       41.75042 0.000000       0.000000 184.6188 5.529046 ?        ?        ?              ?        
1 1 1 7  4  26  o 97.32920 6.574118 198.0000       26.04650 198.0000       26.04650 0.000000       0.000000 97.32920 6.574118 ?        ?        ?              ?        
1 1 1 7  4  27  o 56.31172 7.951029 68.00153       17.82399 68.00153       17.82399 0.000000       0.000000 56.31172 7.951029 ?        ?        ?              ?        
1 1 1 7  4  28  o 100.9875 5.075593 212.3195       20.92110 212.3195       20.92110 0.000000       0.000000 100.9875 5.075593 ?        ?        ?              ?        
1 1 1 7  4  29  o 78.23846 5.923847 129.0181       18.83689 129.0181       18.83689 0.000000       0.000000 78.23846 5.923847 ?        ?        ?              ?        
1 1 1 7  4  30  o 33.58380 10.71731 25.35604       16.62167 25.35604       16.62167 0.000000       0.000000 33.58380 10.71731 ?        ?        ?              ?        
1 1 1 7  4  31  o 17.44653 8.028855 -8.202313      13.20594 -8.202313      13.20594 0.000000       0.000000 17.44653 8.028855 ?        ?        ?              ?        
1 1 1 7  4  32  o 18.07053 8.339979 -8.828723      14.39562 -8.828723      14.39562 0.000000       0.000000 18.07053 8.339979 ?        ?        ?              ?        
1 1 1 7  4  33  o 42.80339 6.499487 40.37078       11.03391 33.02238       14.06973 52.11000       17.78316 37.38931 9.243075 47.01058 9.564102 -9.621273      13.30062 
1 1 1 7  4  34  o 15.98322 7.197836 -3.267387      9.912084 -6.949973      12.04456 4.460000       17.44740 16.54661 7.633777 23.49522 10.09039 -6.948606      12.65269 
1 1 1 7  4  35  o 30.68065 8.076022 22.44449       10.28248 12.91326       12.00038 48.77000       19.94385 24.51085 9.049795 43.10321 11.19958 -18.59236      14.39894 
1 1 1 7  4  36  o 17.86755 8.443036 -12.12443      16.24835 -20.73000      26.39244 -6.872000      20.61910 21.50550 10.32644 21.36371 9.902397 0.1417904      14.30709 
1 1 1 7  4  37  o 21.96100 8.290813 9.832674       10.18450 15.86393       11.37829 -14.47000      22.84022 25.85237 8.889258 20.89464 9.913696 4.957731       13.31542 
1 1 1 7  4  38  o 34.94940 7.497666 29.10724       10.40821 28.03114       11.52197 33.88000       24.26524 33.71196 8.382277 33.91608 12.79884 -0.2041206     15.29944 
1 1 1 7  4  39  f 34.77749 11.38591 35.55190       18.68598 3.584000       28.73690 58.97000       24.59568 25.35933 11.73200 43.13727 12.91687 -17.77794      17.44951 
1 1 1 7  4  40  o 33.39537 11.32867 33.80277       18.46786 19.59000       28.42066 44.19000       24.29655 28.01034 12.42959 35.98859 12.93835 -7.978245      17.94145 
1 1 1 7  5  -39 o 29.37434 11.27366 25.00291       19.02609 19.89000       27.31692 29.82000       26.51491 28.06339 12.33052 30.69279 12.76906 -2.629406      17.75079 
1 1 1 7  5  -38 o 29.84620 9.329531 23.31052       12.65553 13.01704       14.51190 56.00000       25.86111 24.37310 9.699887 41.41991 13.38284 -17.04680      16.52841 
1 1 1 7  5  -37 o 18.61964 8.189805 0.6420888      12.08021 -5.060157      13.85688 18.70000       24.65904 17.95394 8.248447 28.95053 12.19702 -10.99659      14.72427 
1 1 1 7  5  -36 o 42.35819 8.657753 43.71557       14.50894 49.91000       17.82402 31.55000       24.97878 44.09513 10.09057 33.50305 12.90212 10.59208       16.37939 
1 1 1 7  5  -35 f 25.39873 9.452103 14.49474       13.13828 13.74000       16.43722 15.83000       21.86323 25.84446 10.31080 27.90966 11.60176 -2.065203      15.52138 
1 1 1 7  5  -34 o 26.30066 9.002170 16.05079       11.66559 20.19340       14.05269 6.868000       20.92231 28.91274 9.880799 25.30307 10.95905 3.609667       14.75571 
1 1 1 7  5  -33 o 34.60524 8.340905 28.15599       11.67939 31.61588       14.24496 21.06000       20.40028 36.11858 9.504709 30.61521 11.69267 5.503370       15.06845 
1 1 1 7  5  -32 o 30.37561 9.298704 21.51730       12.64851 27.72000       16.01984 11.25000       20.61084 33.94931 10.47802 27.48397 11.32962 6.465338       15.43208 
1 1 1 7  5  -31 o 42.29985 7.095111 39.63950       11.85443 40.69319       14.39588 37.42000       20.89347 42.16240 8.629437 39.03565 11.95136 3.126755       14.74118 
1 1 1 7  5  -30 o 38.55936 7.501565 33.07652       11.41776 28.41133       14.17649 41.69000       19.26298 35.06606 9.596043 41.87149 11.06892 -6.805431      14.64941 
1 1 1 7  5  -29 o 27.30488 8.667082 16.17916       10.88243 20.42574       13.52229 8.373000       18.33366 30.40933 9.662333 26.33102 10.75086 4.078306       14.45482 
1 1 1 7  5  -28 o 107.5069 3.589062 239.0415       15.77729 236.1962       19.79288 244.0000       26.12906 106.5398 4.547503 107.6776 5.949291 -1.137825      7.488247 
1 1 1 7  5  -27 o 108.3520 3.513020 242.3389       15.56566 252.3731       19.55775 225.0000       25.70915 110.3408 4.337157 103.5525 6.090102 6.788353       7.476648 
1 1 1 7  5  -26 f 159.1550 3.305349 521.3303       21.54080 518.8895       27.12247 525.5000       35.44936 158.4790 4.183242 158.9863 5.453404 -0.5073090     6.873073 
1 1 1 7  5  -25 o 117.0284 3.477209 282.0005       16.64425 288.5217       20.90215 270.7000       27.51527 118.1921 4.326249 114.0449 5.912333 4.147202       7.326126 
1 1 1 7  5  -24 o 40.34816 7.591346 35.01580       12.08183 31.12001       14.83483 42.69000       20.82098 37.70572 9.588193 43.91555 11.45941 -6.209831      14.94161 
1 1 1 7  5  -23 o 84.21222 6.235296 147.5038       21.34837 179.9000       41.83865 136.1000       24.82302 91.50159 11.41422 80.55762 7.615702 10.94398       13.72164 
1 1 1 7  5  -22 o 122.2818 5.193521 308.5563       25.94526 234.6000       45.71374 343.7000       31.51250 105.1660 10.76751 128.9078 5.986415 -23.74187      12.31976 
1 1 1 7  5  -21 o 71.49457 7.448714 106.8264       21.48673 129.4000       43.45186 99.52000       24.72068 76.94783 14.31752 68.64845 9.011793 8.299385       16.91756 
1 1 1 7  5  -20 o 107.2797 5.664593 237.4328       24.79527 257.5000       47.46196 229.9000       29.07902 110.7235 10.59762 105.3859 6.774534 5.337624       12.57791 
1 1 1 7  5  -19 o 203.3569 3.406799 847.9118       28.36807 856.2621       35.34718 832.8000       47.55135 204.2749 4.225862 201.1775 5.778422 3.097427       7.158776 
1 1 1 7  5  -18 o 243.8320 4.103449 1219.482       40.96983 1201.000       55.85870 1241.000       60.27295 241.7793 5.642186 245.7183 5.990465 -3.939026      8.229212 
1 1 1 7  5  -17 o 366.4667 5.149314 2756.587       77.26954 2710.000       106.6807 2808.000       112.0697 362.9206 7.178763 369.3647 7.409831 -6.444092      10.31699 
1 1 1 7  5  -16 o 164.9261 3.730456 557.5629       25.19276 553.8000       33.90708 562.2000       37.64057 164.2099 5.048739 165.3963 5.565768 -1.186447      7.514489 
1 1 1 7  5  -15 o 211.9350 3.881710 920.6826       33.68605 949.4000       46.83347 889.9000       48.48816 215.1042 5.317200 208.1439 5.694504 6.960358       7.791020 
1 1 1 7  5  -14 o 264.7990 4.326058 1437.473       46.90650 1437.473       46.90650 0.000000       0.000000 264.7990 4.326058 ?        ?        ?              ?        
1 1 1 7  5  -13 o 326.5624 4.814387 2186.542       64.37712 2186.542       64.37712 0.000000       0.000000 326.5624 4.814387 ?        ?        ?              ?        
1 1 1 7  5  -12 o 182.0666 3.837566 679.2180       28.60951 679.2180       28.60951 0.000000       0.000000 182.0666 3.837566 ?        ?        ?              ?        
1 1 1 7  5  -11 o 263.5075 4.282621 1422.907       46.20905 1422.907       46.20905 0.000000       0.000000 263.5075 4.282621 ?        ?        ?              ?        
1 1 1 7  5  -10 o 172.8497 3.075043 611.9512       21.76428 600.2272       26.54445 636.0000       38.01748 171.1671 3.787294 176.0615 5.279409 -4.894440      6.497365 
1 1 1 7  5  -9  o 115.7408 3.160578 274.5791       14.96480 263.5014       18.26507 297.2000       26.10074 113.3431 3.941516 120.2975 5.311830 -6.954391      6.614460 
1 1 1 7  5  -8  o 221.2844 3.202123 1002.913       29.01438 1010.646       35.71385 987.9000       49.76028 222.1144 3.926770 219.4681 5.541591 2.646286       6.791815 
1 1 1 7  5  -7  o 444.0025 4.849209 4039.479       88.16186 4106.482       109.4995 3916.000       148.6478 447.5737 5.974800 436.8131 8.310714 10.76053       10.23554 
1 1 1 7  5  -6  o 240.6624 3.292010 1186.227       32.44097 1159.290       39.28238 1244.000       57.52924 237.8927 4.032665 246.3644 5.702776 -8.471619      6.984558 
1 1 1 7  5  -5  o 206.6975 3.838076 875.1227       32.48428 884.9000       47.02694 866.2000       44.92455 207.7228 5.533820 205.5266 5.342687 2.196289       7.692039 
1 1 1 7  5  -4  o 199.8554 3.682450 818.1043       30.13541 816.1000       42.15092 820.2000       43.10075 199.5032 5.164140 199.9980 5.267602 -0.4948120     7.376719 
1 1 1 7  5  -3  o 335.0963 3.924265 2300.044       53.84587 2300.067       66.00522 2300.000       93.10103 335.0587 4.810974 334.9376 6.788380 0.1210632      8.320311 
1 1 1 7  5  -2  o 658.6523 6.782395 8894.167       182.9211 8913.501       224.5219 8856.000       315.4555 659.1389 8.318734 656.3365 11.73781 2.802368       14.38671 
1 1 1 7  5  -1  o 320.4318 3.811197 2103.071       50.00592 2084.160       60.95296 2142.000       87.45543 318.9534 4.667058 323.2434 6.607432 -4.290009      8.089474 
1 1 1 7  5  0   o 144.8132 2.914861 429.4573       17.28424 434.8334       21.48672 419.6000       29.09476 145.7071 3.601346 143.0208 4.975689 2.686340       6.142246 
1 1 1 7  5  1   o 436.4039 4.767714 3901.811       85.19678 3843.490       103.1503 4027.000       151.1262 433.0583 5.817007 443.0412 8.330504 -9.982910      10.16046 
1 1 1 7  5  2   o 480.9247 5.154061 4739.083       101.4965 4729.168       124.2154 4759.000       176.0579 480.3255 6.315612 481.5510 8.928711 -1.225494      10.93658 
1 1 1 7  5  3   o 252.5867 4.054039 1306.868       41.92980 1315.000       59.79492 1299.000       58.81268 253.3071 5.764911 251.7639 5.704966 1.543152       8.110538 
1 1 1 7  5  4   o 625.2227 6.472943 8013.605       165.7147 8111.896       205.3352 7830.000       280.6389 628.8341 7.974491 617.2411 11.10372 11.59302       13.67060 
1 1 1 7  5  5   o 439.2872 4.794833 3953.757       86.24748 3986.190       106.5134 3892.000       146.9801 441.0023 5.898463 435.5309 8.241666 5.471344       10.13494 
1 1 1 7  5  6   o 432.7216 4.736497 3836.507       83.92478 3814.579       102.5407 3881.000       146.0646 431.4023 5.804830 434.8991 8.202230 -3.496826      10.04851 
1 1 1 7  5  7   o 396.8600 3.842739 3226.230       62.44572 3365.282       91.51148 3105.058       85.42549 405.2104 5.515318 389.2403 5.359760 15.97018       7.690628 
1 1 1 7  5  8   o 144.5920 2.546955 428.1427       15.07960 424.2696       22.26654 431.4240       20.49499 143.8657 3.783102 145.1303 3.448778 -1.264542      5.119172 
1 1 1 7  5  9   o 211.2099 3.115159 913.6808       26.94132 882.5599       32.95439 976.4000       46.78281 207.5592 3.877456 218.2601 5.234648 -10.70096      6.514308 
1 1 1 7  5  10  o 387.9632 3.776052 3083.575       59.98642 3102.871       85.66181 3065.007       84.02895 389.0468 5.377259 386.6723 5.307151 2.374512       7.555182 
1 1 1 7  5  11  o 371.0520 4.220888 2821.297       64.13026 2824.031       78.96490 2816.000       109.9122 371.1470 5.195935 370.3841 7.247185 0.7629089      8.917367 
1 1 1 7  5  12  o 485.3448 5.206517 4830.002       103.4718 4759.125       125.4272 4981.000       183.0719 481.5927 6.360441 492.1185 9.085057 -10.52573      11.09024 
1 1 1 7  5  13  o 211.4403 3.974814 916.2204       34.41351 916.2204       34.41351 0.000000       0.000000 211.4403 3.974814 ?        ?        ?              ?        
1 1 1 7  5  14  o 89.54002 4.557774 164.8096       16.65572 139.4000       23.46764 190.6000       23.64282 82.07242 7.051377 96.17499 6.034022 -14.10257      9.280697 
1 1 1 7  5  15  o 312.9173 3.828073 2007.012       49.04945 2012.228       60.49244 1997.000       83.80607 313.2310 4.716413 311.7906 6.564295 1.440491       8.082978 
1 1 1 7  5  16  o 88.27634 4.216451 160.1519       15.19702 128.1248       19.43861 210.5000       24.37236 78.75099 6.075091 101.0743 5.914723 -22.32330      8.478838 
1 1 1 7  5  17  o 484.7363 9.092697 4849.000       180.4773 0.000000       0.000000 4849.000       180.4773 ?        ?        484.7363 9.092697 ?              ?        
1 1 1 7  5  18  o 264.4905 6.063615 1438.000       65.66987 0.000000       0.000000 1438.000       65.66987 ?        ?        264.4905 6.063615 ?              ?        
1 1 1 7  5  19  o 33.97135 11.92491 21.35000       20.52830 0.000000       0.000000 21.35000       20.52830 ?        ?        33.97135 11.92491 ?              ?        
1 1 1 7  5  20  o 84.27451 4.612829 146.3120       15.85728 163.3721       20.83039 122.8000       24.45413 88.92154 5.751777 76.68823 7.900438 12.23331       9.772403 
1 1 1 7  5  21  o 153.1159 3.401648 481.0181       21.32722 482.5385       27.21873 478.6000       34.32513 153.1940 4.343503 152.3693 5.510693 0.8247223      7.016676 
1 1 1 7  5  22  o 214.3723 3.415919 943.3659       29.98476 921.4810       37.22519 983.8000       50.59859 211.7090 4.294111 218.3426 5.664250 -6.633667      7.107962 
1 1 1 7  5  23  o 166.7281 3.357787 570.8774       22.92378 588.5432       29.51093 544.0000       36.40079 169.0764 4.266018 162.2514 5.486850 6.824905       6.950139 
1 1 1 7  5  24  o 87.08199 4.290258 156.5720       15.25096 158.4961       20.94378 154.4000       22.25182 87.29449 5.893825 86.04306 6.360730 1.251427       8.671566 
1 1 1 7  5  25  o 36.55045 10.91442 29.13445       17.57931 29.13445       17.57931 0.000000       0.000000 36.55045 10.91442 ?        ?        ?              ?        
1 1 1 7  5  26  f 48.04930 9.342067 50.74304       17.71826 50.74304       17.71826 0.000000       0.000000 48.04930 9.342067 ?        ?        ?              ?        
1 1 1 7  5  27  o 54.84741 7.679929 64.79214       16.77589 64.79214       16.77589 0.000000       0.000000 54.84741 7.679929 ?        ?        ?              ?        
1 1 1 7  5  28  o 28.99508 10.24593 16.88148       15.17322 16.88148       15.17322 0.000000       0.000000 28.99508 10.24593 ?        ?        ?              ?        
1 1 1 7  5  29  o 79.28606 5.628779 132.7501       18.15526 132.7501       18.15526 0.000000       0.000000 79.28606 5.628779 ?        ?        ?              ?        
1 1 1 7  5  30  o 72.75459 5.972382 112.8847       17.63582 112.8847       17.63582 0.000000       0.000000 72.75459 5.972382 ?        ?        ?              ?        
1 1 1 7  5  31  o 68.05801 5.991711 99.46684       16.52732 99.46684       16.52732 0.000000       0.000000 68.05801 5.991711 ?        ?        ?              ?        
1 1 1 7  5  32  o 45.17635 8.552149 46.99314       15.24101 46.99314       15.24101 0.000000       0.000000 45.17635 8.552149 ?        ?        ?              ?        
1 1 1 7  5  33  o 17.20893 7.908394 -6.560906      12.75022 -6.560906      12.75022 0.000000       0.000000 17.20893 7.908394 ?        ?        ?              ?        
1 1 1 7  5  34  o 47.26018 7.625130 51.58817       14.25384 51.58817       14.25384 0.000000       0.000000 47.26018 7.625130 ?        ?        ?              ?        
1 1 1 7  5  35  f 25.10361 9.481146 13.84331       13.32201 13.84331       13.32201 0.000000       0.000000 25.10361 9.481146 ?        ?        ?              ?        
1 1 1 7  5  36  o 21.81278 8.629971 8.657416       11.42315 13.30308       13.43424 -3.469000      21.70478 24.80886 9.485279 22.55684 10.34840 2.252022       14.03780 
1 1 1 7  5  37  o 20.72650 8.549262 6.298937       11.74568 -5.750200      13.50932 43.62000       23.77566 17.53856 8.088986 38.09290 12.85432 -20.55434      15.18767 
1 1 1 7  5  38  o 52.05318 6.052068 61.49806       12.65933 53.30747       14.57838 86.61000       25.52654 46.92584 7.865102 55.37922 11.62780 -8.453384      14.03800 
1 1 1 7  5  39  o 28.83410 11.22702 23.68632       19.07035 6.127000       29.10259 36.90000       25.24584 25.45074 11.78553 33.10193 12.90933 -7.651197      17.47998 
1 1 1 7  6  -38 o 29.29366 9.626010 23.31532       13.35071 21.63762       15.35962 28.50000       27.00136 28.10067 10.26107 30.32780 12.76942 -2.227127      16.38132 
1 1 1 7  6  -37 o 21.01900 8.882465 6.135900       13.14252 4.558117       15.06909 11.15000       26.86333 21.28766 9.259628 26.66239 11.94079 -5.374725      15.11037 
1 1 1 7  6  -36 o 16.16528 7.741876 -14.78868      14.61925 -14.78868      14.61925 0.000000       0.000000 16.16528 7.741876 ?        ?        ?              ?        
1 1 1 7  6  -35 o 21.66881 9.321732 4.479604       14.93810 4.479604       14.93810 0.000000       0.000000 21.66881 9.321732 ?        ?        ?              ?        
1 1 1 7  6  -34 o 28.03028 10.18900 19.06164       15.12014 19.06164       15.12014 0.000000       0.000000 28.03028 10.18900 ?        ?        ?              ?        
1 1 1 7  6  -33 o 21.97445 8.853189 7.784492       12.24265 6.649420       14.85283 10.19000       21.62224 22.70132 9.508935 26.48151 11.29955 -3.780190      14.76820 
1 1 1 7  6  -32 o 47.66167 7.756077 51.97596       14.61687 81.18000       19.96921 18.27000       21.45324 59.20259 8.479313 29.66626 11.79787 29.53632       14.52889 
1 1 1 7  6  -31 o 29.81800 8.955274 20.69465       11.80910 12.18760       14.69750 36.19000       19.83603 25.60932 9.887701 38.01168 11.64635 -12.40237      15.27757 
1 1 1 7  6  -30 o 48.90295 6.332565 52.03410       12.38313 64.01690       15.58007 31.48000       20.40513 53.85437 7.249118 36.09504 11.90238 17.75934       13.93616 
1 1 1 7  6  -29 o 35.99524 8.335828 29.41992       12.04415 21.51753       15.77344 40.47000       18.65219 31.08133 10.46996 41.25648 10.88529 -10.17515      15.10329 
1 1 1 7  6  -28 o 49.38365 8.687459 54.49612       16.92599 58.93000       35.07325 53.15000       19.32530 48.07966 15.58935 48.07933 10.13608 0.3280640E-03  18.59484 
1 1 1 7  6  -27 f 86.25189 5.619367 156.5287       19.73829 142.7000       38.97133 161.3000       22.89160 78.32673 12.57653 87.19021 6.457697 -8.863480      14.13757 
1 1 1 7  6  -26 o 28.88160 8.965433 18.00072       11.70901 10.16000       15.19837 29.45000       18.36573 25.84121 10.03361 36.31945 11.22064 -10.47824      15.05244 
1 1 1 7  6  -25 o 55.22452 5.675884 64.11662       12.65231 77.07967       16.33540 44.68000       20.00261 60.30492 6.729922 44.49129 11.03389 15.81363       12.92434 
1 1 1 7  6  -24 o 30.07804 9.007517 19.44392       11.96010 30.42019       15.41132 2.823000       18.96444 37.11109 9.942080 25.32747 10.68487 11.78362       14.59491 
1 1 1 7  6  -23 o 174.7347 3.339066 627.6547       23.89069 633.6763       30.20914 617.6000       39.03584 175.3618 4.207063 172.6343 5.529331 2.727509       6.947869 
1 1 1 7  6  -22 o 144.9018 3.451695 431.4465       20.48003 447.4411       26.15548 406.1000       32.92566 147.3447 4.339876 140.0133 5.755296 7.331451       7.208187 
1 1 1 7  6  -21 o 80.32635 4.583500 133.2361       15.01320 132.6533       19.01754 134.2000       24.45831 79.93661 5.850629 80.04088 7.551871 -0.1042709     9.553042 
1 1 1 7  6  -20 o 154.4007 3.462675 489.3406       21.89200 500.7024       27.63594 470.2000       35.86983 156.0105 4.330283 150.8884 5.816521 5.122162       7.251432 
1 1 1 7  6  -19 o 141.7125 3.529564 412.0674       20.48112 420.3391       25.87828 398.2000       33.50714 142.9700 4.425775 138.9098 5.904344 4.060211       7.378941 
1 1 1 7  6  -18 o 252.7930 3.584222 1310.872       37.10089 1319.030       46.16850 1296.000       62.33628 253.4467 4.448717 250.9053 6.067457 2.541443       7.523637 
1 1 1 7  6  -17 o 51.71803 6.976306 56.07718       14.39738 53.00721       18.24765 61.14000       23.43343 49.83246 9.284244 53.27390 11.10285 -3.441437      14.47309 
1 1 1 7  6  -16 o 163.3304 3.416630 546.8791       22.85017 546.3046       28.56462 547.9000       38.07909 163.1287 4.280051 163.1951 5.707211 -0.6639099E-01 7.133800 
1 1 1 7  6  -15 o 119.1651 3.705738 291.4102       18.06010 285.4800       22.59558 301.9000       30.05189 117.8620 4.691306 121.0584 6.081991 -3.196419      7.681078 
1 1 1 7  6  -14 o 194.6700 3.323891 776.6510       26.49539 777.3727       32.81823 775.3000       44.90062 194.7087 4.116284 194.2362 5.651448 0.4724731      6.991613 
1 1 1 7  6  -13 o 262.6550 3.541358 1413.875       38.08728 1411.267       46.78431 1419.000       65.58635 262.3438 4.355169 262.8666 6.093314 -0.5228577     7.489725 
1 1 1 7  6  -12 o 200.1889 3.244382 821.1452       26.59479 815.5337       32.75546 832.0000       45.55698 199.4619 4.010507 201.2797 5.532770 -1.817825      6.833426 
1 1 1 7  6  -11 o 297.9597 4.508320 1820.228       55.00431 1798.000       76.51423 1844.000       79.12726 295.9332 6.314285 299.6770 6.448346 -3.743805      9.025041 
1 1 1 7  6  -10 o 265.1324 4.232224 1440.837       45.94685 1526.000       66.71575 1364.000       63.37056 272.7013 5.974710 257.8175 6.002756 14.88373       8.469371 
1 1 1 7  6  -9  o 372.7435 5.203825 2849.039       79.42500 2815.000       110.8126 2885.000       113.8988 370.2269 7.309656 374.7839 7.421875 -4.556946      10.41707 
1 1 1 7  6  -8  o 399.7086 4.498769 3274.571       73.63115 3210.279       88.90251 3415.000       131.3908 395.6602 5.487409 407.7323 7.869834 -12.07211      9.594058 
1 1 1 7  6  -7  o 190.0015 3.135740 739.4723       24.39616 762.4235       30.48579 698.6000       40.68262 192.9032 3.859523 184.5091 5.390544 8.394104       6.629773 
1 1 1 7  6  -6  f 234.9327 4.071319 1130.884       39.16544 1130.884       39.16544 0.000000       0.000000 234.9327 4.071319 ?        ?        ?              ?        
1 1 1 7  6  -5  o 292.8557 4.493427 1757.486       53.88351 1757.486       53.88351 0.000000       0.000000 292.8557 4.493427 ?        ?        ?              ?        
1 1 1 7  6  -4  o 425.0186 5.764934 3703.566       100.3290 3703.566       100.3290 0.000000       0.000000 425.0186 5.764934 ?        ?        ?              ?        
1 1 1 7  6  -3  o 516.7179 5.501988 5473.166       116.4120 5582.213       145.0755 5276.000       195.0748 521.6713 6.791611 506.7245 9.401668 14.94675       11.59816 
1 1 1 7  6  -2  o 347.9856 4.059700 2480.858       57.84685 2502.035       71.58273 2441.000       98.20712 349.4082 5.003233 344.9602 6.952637 4.447968       8.565717 
1 1 1 7  6  -1  o 68.79740 4.182581 97.32700       11.72692 104.6388       15.29256 86.89000       18.27078 71.25728 5.278634 64.70803 7.007326 6.549248       8.773061 
1 1 1 7  6  0   o 282.9735 3.094269 1640.013       35.85322 1667.813       51.56726 1613.998       49.88290 285.3069 4.414050 280.6697 4.340419 4.637207       6.190564 
1 1 1 7  6  1   o 115.8599 2.707500 274.9064       12.84476 264.6377       18.92385 283.6791       17.49110 113.5819 4.075496 117.6244 3.635945 -4.042496      5.461663 
1 1 1 7  6  2   o 137.6030 2.615722 387.7647       14.73818 363.9704       21.35791 409.3948       20.36349 133.2342 3.919141 141.3732 3.517717 -8.138992      5.266308 
1 1 1 7  6  3   o 317.9047 3.315538 2070.063       43.15940 2134.314       62.59143 2011.821       59.59217 322.7253 4.736499 313.3329 4.644713 9.392395       6.633836 
1 1 1 7  6  4   o 260.8323 3.456055 1393.594       36.91190 1374.761       45.46770 1430.000       63.21632 259.0286 4.286776 264.0932 5.845850 -5.064575      7.249166 
1 1 1 7  6  5   o 356.0953 4.115181 2598.089       60.00393 2597.110       73.78584 2600.000       103.1066 355.9595 5.062301 355.9646 7.073843 -0.5065918E-02 8.698629 
1 1 1 7  6  6   f 325.1946 3.872415 2166.635       51.56436 2116.301       62.40094 2275.000       91.56052 321.3387 4.742460 332.9935 6.715031 -11.65479      8.220861 
1 1 1 7  6  7   o 215.6543 2.744036 952.5196       24.23105 974.3115       35.22676 932.9489       33.38327 218.0635 3.945167 213.3897 3.820596 4.673782       5.491930 
1 1 1 7  6  8   o 228.8983 2.822022 1073.163       26.45010 1119.576       38.81106 1032.911       36.14342 233.7423 4.055027 224.5192 3.931437 9.223053       5.647959 
1 1 1 7  6  9   o 494.3510 5.287564 5011.537       107.0324 5015.000       185.6471 5009.813       130.9953 493.7141 9.183077 494.0655 6.475104 -0.3514099     11.23636 
1 1 1 7  6  10  o 362.3212 5.110195 2692.176       75.81509 2613.000       104.8308 2779.000       109.7776 356.6657 7.177995 367.8018 7.289129 -11.13602      10.23010 
1 1 1 7  6  11  o 297.9810 4.514157 1820.495       55.07948 1822.000       78.02163 1819.000       77.76727 297.8909 6.396368 297.6476 6.380726 0.2432556      9.034777 
1 1 1 7  6  12  o 152.4124 3.205696 475.9621       20.00632 469.7874       25.02411 486.9000       33.30554 151.3322 4.041957 153.9606 5.290886 -2.628326      6.658145 
1 1 1 7  6  13  o 111.2153 3.582252 253.7625       16.29214 222.0485       20.41407 309.4000       27.03880 103.9333 4.809829 122.6676 5.396313 -18.73432      7.228737 
1 1 1 7  6  14  o 229.5516 4.208982 1080.561       39.56232 1080.561       39.56232 0.000000       0.000000 229.5516 4.208982 ?        ?        ?              ?        
1 1 1 7  6  15  o 129.2593 3.508821 342.7433       18.55433 350.0207       23.69181 331.2000       29.83837 130.5493 4.438450 126.8496 5.759649 3.699692       7.271410 
1 1 1 7  6  16  o 92.43758 4.216297 175.6485       15.91692 164.4884       20.44988 192.8000       25.35167 89.30213 5.620995 96.60683 6.445638 -7.304695      8.552299 
1 1 1 7  6  17  o 104.1772 3.995220 222.9740       17.01108 242.7856       22.15219 194.5000       26.55711 108.6107 4.994404 96.95984 6.730836 11.65086       8.381421 
1 1 1 7  6  18  o 254.0977 3.549446 1324.389       36.93054 1359.595       46.60860 1265.000       60.53582 257.3186 4.423545 247.9094 5.963415 9.409210       7.424962 
1 1 1 7  6  19  o 263.9582 3.609251 1429.768       39.01006 1420.059       48.29308 1448.000       66.17622 262.8954 4.486187 265.0706 6.096995 -2.175201      7.569625 
1 1 1 7  6  20  o 111.2466 3.858505 254.4910       17.54980 248.1233       22.82466 263.7000       27.44845 109.6649 5.096851 112.9064 5.958196 -3.241577      7.840790 
1 1 1 7  6  21  o 90.75933 4.327762 169.8326       16.03711 199.3799       21.68995 134.2000       23.81905 98.16982 5.416801 80.08952 7.344843 18.08030       9.126251 
1 1 1 7  6  22  o 48.70613 7.168392 50.33303       13.86932 60.90961       19.00402 38.28000       20.28716 53.19567 9.048265 41.73206 11.50300 11.46362       14.63523 
1 1 1 7  6  23  o 150.2477 3.395048 464.1281       20.88711 470.3989       27.12892 455.0000       32.73122 150.9834 4.392796 148.1917 5.403083 2.791702       6.963473 
1 1 1 7  6  24  o 42.49096 7.676588 38.98283       12.86496 44.84713       17.50777 32.10000       18.96735 45.07975 9.767484 38.16980 11.32229 6.909950       14.95319 
1 1 1 7  6  25  o 50.81669 8.186121 55.93430       16.45512 102.2000       33.72628 41.48000       18.85113 66.99448 12.76018 42.93155 10.74888 24.06292       16.68414 
1 1 1 7  6  26  o 57.22045 7.311502 70.26205       16.74014 94.27000       33.02439 61.96000       19.42003 63.62826 13.11167 52.94591 9.296629 10.68235       16.07306 
1 1 1 7  6  27  f 51.48407 6.186915 56.54820       12.78179 56.26347       17.42326 56.88000       18.80847 50.38305 8.763452 50.36360 9.467839 0.1944733E-01  12.90109 
1 1 1 7  6  28  o 21.77977 8.686954 6.212583       11.66457 -8.681541      15.35755 26.52000       17.93254 19.01361 8.716133 34.22663 11.15071 -15.21302      14.15307 
1 1 1 7  6  29  o 35.44424 8.396204 28.56955       11.99722 16.43131       15.86744 44.77000       18.33128 28.50168 10.42588 43.62992 10.40714 -15.12825      14.73117 
1 1 1 7  6  30  o 50.06826 6.212471 54.39456       12.46345 41.30171       15.62464 77.30000       20.66628 42.09693 9.311504 58.22492 8.954624 -16.12799      12.91857 
1 1 1 7  6  31  o 85.33693 4.105847 152.8890       14.30501 145.9417       17.81472 165.5000       24.00189 82.69946 5.288517 86.96803 6.793900 -4.268570      8.609615 
1 1 1 7  6  32  o 41.54388 10.49800 43.08000       17.86274 43.08000       17.86274 0.000000       0.000000 41.54388 10.49800 ?        ?        ?              ?        
1 1 1 7  6  33  o 38.03791 9.532396 35.93861       14.81587 35.93861       14.81587 0.000000       0.000000 38.03791 9.532396 ?        ?        ?              ?        
1 1 1 7  6  34  o 24.84101 9.707838 12.79026       14.30080 12.79026       14.30080 0.000000       0.000000 24.84101 9.707838 ?        ?        ?              ?        
1 1 1 7  6  35  o 25.18039 9.817348 13.45811       14.59739 13.45811       14.59739 0.000000       0.000000 25.18039 9.817348 ?        ?        ?              ?        
1 1 1 7  6  36  o 36.50510 9.934445 34.75822       15.24319 34.75822       15.24319 0.000000       0.000000 36.50510 9.934445 ?        ?        ?              ?        
1 1 1 7  6  37  o 27.18554 10.14071 18.84340       15.13950 18.84340       15.13950 0.000000       0.000000 27.18554 10.14071 ?        ?        ?              ?        
1 1 1 7  6  38  o 23.55640 11.22158 -6.657000      29.85791 -6.657000      29.85791 0.000000       0.000000 23.55640 11.22158 ?        ?        ?              ?        
1 1 1 7  7  0   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7  7  1   o 326.1362 3.889872 2179.596       51.94679 2107.000       88.71693 2217.471       64.08059 320.3729 6.762797 328.8856 4.758360 -8.512634      8.269064 
1 1 1 7  7  2   o 187.0204 3.820244 716.7189       29.25529 743.9000       42.95368 693.2000       39.95530 190.3647 5.516299 183.7753 5.315197 6.589417       7.660344 
1 1 1 7  7  3   o 215.3381 3.940068 950.2736       34.74154 935.1000       49.67620 964.8000       48.60520 213.4267 5.689352 216.8128 5.479256 -3.386108      7.898796 
1 1 1 7  7  4   o 218.0105 4.028297 974.0720       35.96029 991.4000       53.10737 959.4000       48.86782 219.7337 5.907830 216.1954 5.524693 3.538269       8.088552 
1 1 1 7  7  5   o 159.5659 3.171150 521.6286       20.71959 535.9583       26.34644 498.4000       33.54414 161.7121 3.978827 155.7938 5.265828 5.918289       6.600001 
1 1 1 7  7  6   o 404.5257 4.547500 3355.035       75.32571 3408.700       93.70143 3257.000       126.6453 407.5981 5.614222 398.0355 7.770388 9.562622       9.586367 
1 1 1 7  7  7   o 253.0351 3.471174 1312.001       35.96511 1297.637       44.23903 1340.000       61.76367 251.5880 4.294289 255.5103 5.903372 -3.922348      7.300050 
1 1 1 7  7  8   o 316.9944 3.878632 2059.646       50.34481 2064.183       62.16605 2051.000       85.81815 317.2490 4.785514 315.9823 6.632724 1.266663       8.178885 
1 1 1 7  7  9   o 38.30018 8.386224 31.37068       12.78670 30.18130       16.63142 33.09000       19.99623 37.66928 10.42755 39.63165 11.59099 -1.962376      15.59118 
1 1 1 7  7  10  o 373.9691 4.325284 2867.863       66.23306 2826.062       80.56850 2955.000       116.3240 371.0850 5.302338 379.0035 7.495517 -7.918518      9.181371 
1 1 1 7  7  11  o 83.21635 4.470139 142.4463       15.17600 136.6476       19.43760 151.5000       24.28791 81.35803 5.874242 85.54846 6.994523 -4.190430      9.134007 
1 1 1 7  7  12  o 113.5166 3.745787 264.4776       17.38728 284.0498       22.52149 235.6000       27.35630 117.5665 4.687711 106.8816 6.278371 10.68488       7.835341 
1 1 1 7  7  13  o 214.3570 3.372655 941.9014       29.60288 928.1274       36.49448 968.4000       50.61850 212.7127 4.189955 217.0291 5.700896 -4.316406      7.075022 
1 1 1 7  7  14  o 92.12228 4.270796 174.5025       16.06625 169.3241       20.47482 182.8000       25.91761 90.60632 5.545265 93.99131 6.779708 -3.384987      8.758677 
1 1 1 7  7  15  o 66.73824 5.682654 92.24835       15.38168 84.44836       20.16575 103.1000       23.78567 63.47041 7.931910 70.12746 8.453621 -6.657043      11.59219 
1 1 1 7  7  16  o 141.2392 3.546101 409.4866       20.49214 389.7515       25.54663 445.1000       34.31787 137.6758 4.537800 146.9573 5.713908 -9.281479      7.296600 
1 1 1 7  7  17  o 174.7411 3.405607 626.4944       24.36767 634.0422       30.86230 614.0000       39.70797 175.6800 4.290239 172.5801 5.626567 3.099960       7.075621 
1 1 1 7  7  18  f 53.15112 6.785786 59.33596       14.43217 66.07791       18.59785 49.13000       22.88215 55.79052 8.401429 47.35984 11.83390 8.430683       14.51293 
1 1 1 7  7  19  o 82.29465 4.559745 139.8143       15.30508 138.2828       19.61176 142.2000       24.47729 81.61191 5.908665 82.46394 7.325084 -0.8520355     9.411120 
1 1 1 7  7  20  o 83.88868 4.478007 145.3555       15.32626 151.5705       19.94764 136.4000       23.94500 85.43233 5.735461 80.65533 7.330317 4.777008       9.307473 
1 1 1 7  7  21  o 146.7389 3.432669 442.6917       20.62536 438.8205       26.28049 448.9000       33.28128 145.8339 4.406046 147.1740 5.532463 -1.340073      7.072580 
1 1 1 7  7  22  o 147.7057 4.364004 450.6057       26.36516 451.5000       43.86698 450.1000       32.98820 146.6969 7.326032 147.2529 5.480610 -0.5559540     9.149199 
1 1 1 7  7  23  o 79.22066 4.446257 130.1319       14.36518 121.9465       19.02044 141.0000       21.91694 76.24065 6.144704 81.87095 6.593429 -5.630295      9.012808 
1 1 1 7  7  24  o 119.8921 3.578381 296.7415       17.54749 302.2234       22.99570 289.1000       27.15036 120.6490 4.663554 117.6121 5.654226 3.036896       7.329326 
1 1 1 7  7  25  o 47.20810 6.825781 47.95796       12.81194 44.85274       17.11122 51.92000       19.32832 44.64141 9.643177 47.90041 10.16916 -3.258999      14.01437 
1 1 1 7  7  26  o 44.77332 6.955223 43.53048       12.33766 57.41175       16.74832 27.06000       18.24358 50.99653 8.306204 34.67450 11.24337 16.32203       13.97878 
1 1 1 7  7  27  o 35.31789 8.593650 28.32148       12.30800 25.89961       16.41680 31.43000       18.59904 33.65012 10.64078 36.65073 11.28620 -3.000610      15.51143 
1 1 1 7  7  28  o 28.22007 10.52521 15.78895       16.30829 15.78895       16.30829 0.000000       0.000000 28.22007 10.52521 ?        ?        ?              ?        
1 1 1 7  7  29  o 43.66927 9.333942 44.58677       16.18421 44.58677       16.18421 0.000000       0.000000 43.66927 9.333942 ?        ?        ?              ?        
1 1 1 7  7  30  o 22.11144 9.483850 2.994454       15.37577 2.994454       15.37577 0.000000       0.000000 22.11144 9.483850 ?        ?        ?              ?        
1 1 1 7  7  31  o 83.82295 4.409983 149.0133       15.08321 130.7097       18.58796 184.3000       25.80881 77.43507 5.906899 90.95116 6.983459 -13.51608      9.146592 
1 1 1 7  7  32  o 46.69169 10.52141 55.80652       19.63225 65.05000       29.64975 48.59000       26.19795 46.24619 14.25153 40.60778 13.49010 5.638405       19.62368 
1 1 1 7  7  33  o 43.64231 13.09381 56.26000       25.25547 0.000000       0.000000 56.26000       25.25547 ?        ?        43.64231 13.09381 ?              ?        
1 1 1 7  7  34  o 23.39260 9.619086 9.196967       14.80859 4.379000       18.30590 18.32000       25.19004 23.12061 10.12823 29.19969 12.31621 -6.079079      15.94586 
1 1 1 7  7  35  o 28.25558 10.32068 20.05730       15.54031 34.75000       19.13850 -8.379000      26.62525 35.15358 11.52376 23.28827 10.94369 11.86531       15.89218 
1 1 1 7  7  36  o 16.47887 7.732609 -8.180703      13.20988 -16.52251      15.58227 13.13000       24.90574 16.23881 7.832235 26.65732 11.74102 -10.41851      14.11366 
1 1 1 7  7  37  o 20.80764 9.285558 2.664180       16.09111 2.664180       16.09111 0.000000       0.000000 20.80764 9.285558 ?        ?        ?              ?        
1 1 1 8  0  -41 o 18.77600 11.02936 11.98549       14.32608 11.98549       14.32608 11.98549       14.32608 18.77600 11.02936 18.77600 11.02936 0.000000       0.000000 
1 1 1 8  0  -40 o 28.17978 12.09014 26.35568       14.27276 26.35568       14.27276 26.35568       14.27276 28.17978 12.09014 28.17978 12.09014 0.000000       0.000000 
1 1 1 8  0  -39 o 20.98291 13.09765 12.44000       22.96743 12.44000       22.96743 12.44000       22.96743 20.98291 13.09765 20.98291 13.09765 0.000000       0.000000 
1 1 1 8  0  -38 o 18.86641 12.24923 5.153000       22.59362 5.153000       22.59362 5.153000       22.59362 18.86641 12.24923 18.86641 12.24923 0.000000       0.000000 
1 1 1 8  0  -37 o 15.83566 10.81714 -7.829000      21.94245 -7.829000      21.94245 -7.829000      21.94245 15.83566 10.81714 15.83566 10.81714 0.000000       0.000000 
1 1 1 8  0  -36 o 22.83645 13.81320 15.91000       23.74825 15.91000       23.74825 15.91000       23.74825 22.83645 13.81320 22.83645 13.81320 0.000000       0.000000 
1 1 1 8  0  -35 o 22.32179 13.49319 14.05000       22.63033 14.05000       22.63033 14.05000       22.63033 22.32179 13.49319 22.32179 13.49319 0.000000       0.000000 
1 1 1 8  0  -34 o 34.51153 15.31025 38.99000       22.83022 38.99000       22.83022 38.99000       22.83022 34.51153 15.31025 34.51153 15.31025 0.000000       0.000000 
1 1 1 8  0  -33 o 27.52941 15.05475 25.27000       24.22433 25.27000       24.22433 25.27000       24.22433 27.52941 15.05475 27.52941 15.05475 0.000000       0.000000 
1 1 1 8  0  -32 o 58.41701 12.36432 82.06000       26.01582 82.06000       26.01582 82.06000       26.01582 58.41701 12.36432 58.41701 12.36432 0.000000       0.000000 
1 1 1 8  0  -31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  0  -30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  0  -29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  0  -28 o 81.26855 10.04247 143.6000       32.04866 143.6000       32.04866 143.6000       32.04866 81.26855 10.04247 81.26855 10.04247 0.000000       0.000000 
1 1 1 8  0  -27 o 102.3540 8.294701 220.8000       34.22196 220.8000       34.22196 220.8000       34.22196 102.3540 8.294701 102.3540 8.294701 0.000000       0.000000 
1 1 1 8  0  -26 o 20.95039 13.82729 -5.565000      30.58631 -5.565000      30.58631 -5.565000      30.58631 20.95039 13.82729 20.95039 13.82729 0.000000       0.000000 
1 1 1 8  0  -25 o 178.3070 7.232387 657.3000       52.60707 657.3000       52.60707 657.3000       52.60707 178.3070 7.232387 178.3070 7.232387 0.000000       0.000000 
1 1 1 8  0  -24 o 67.25155 14.54969 105.7000       35.13674 105.7000       35.13674 105.7000       35.13674 67.25155 14.54969 67.25155 14.54969 0.000000       0.000000 
1 1 1 8  0  -23 o 33.02718 17.64891 32.69000       32.56076 32.69000       32.56076 32.69000       32.56076 33.02718 17.64891 33.02718 17.64891 0.000000       0.000000 
1 1 1 8  0  -22 o 251.3624 6.525292 1299.000       67.05989 1299.000       67.05989 1299.000       67.05989 251.3624 6.525292 251.3624 6.525292 0.000000       0.000000 
1 1 1 8  0  -21 o 23.44401 14.78201 5.186000       30.05312 5.186000       30.05312 5.186000       30.05312 23.44401 14.78201 23.44401 14.78201 0.000000       0.000000 
1 1 1 8  0  -20 o 28.44079 16.03941 22.23000       28.50477 22.23000       28.50477 22.23000       28.50477 28.44079 16.03941 28.44079 16.03941 0.000000       0.000000 
1 1 1 8  0  -19 o 42.47926 16.71758 51.11000       27.89831 51.11000       27.89831 51.11000       27.89831 42.47926 16.71758 42.47926 16.71758 0.000000       0.000000 
1 1 1 8  0  -18 o 21.89990 13.61421 6.428000       24.55781 6.428000       24.55781 6.428000       24.55781 21.89990 13.61421 21.89990 13.61421 0.000000       0.000000 
1 1 1 8  0  -17 o 82.17396 8.258843 142.6000       27.09552 142.6000       27.09552 142.6000       27.09552 82.17396 8.258843 82.17396 8.258843 0.000000       0.000000 
1 1 1 8  0  -16 o 310.7919 6.640336 1982.000       84.41829 1982.000       84.41829 1982.000       84.41829 310.7919 6.640336 310.7919 6.640336 0.000000       0.000000 
1 1 1 8  0  -15 o 42.78765 13.86926 47.72000       21.48103 47.72000       21.48103 47.72000       21.48103 42.78765 13.86926 42.78765 13.86926 0.000000       0.000000 
1 1 1 8  0  -14 o 174.1444 5.457550 623.0000       38.82969 623.0000       38.82969 623.0000       38.82969 174.1444 5.457550 174.1444 5.457550 0.000000       0.000000 
1 1 1 8  0  -13 o 21.47349 12.70206 10.49000       19.23394 10.49000       19.23394 10.49000       19.23394 21.47349 12.70206 21.47349 12.70206 0.000000       0.000000 
1 1 1 8  0  -12 o 556.8394 10.16379 6364.000       231.5708 6364.000       231.5708 6364.000       231.5708 556.8394 10.16379 556.8394 10.16379 0.000000       0.000000 
1 1 1 8  0  -11 o 285.2269 6.273067 1669.000       73.18472 1669.000       73.18472 1669.000       73.18472 285.2269 6.273067 285.2269 6.273067 0.000000       0.000000 
1 1 1 8  0  -10 o 165.2584 5.424161 561.2000       36.61494 561.2000       36.61494 561.2000       36.61494 165.2584 5.424161 165.2584 5.424161 0.000000       0.000000 
1 1 1 8  0  -9  o 103.5989 6.039318 222.1000       25.41831 222.1000       25.41831 222.1000       25.41831 103.5989 6.039318 103.5989 6.039318 0.000000       0.000000 
1 1 1 8  0  -8  o 523.8878 9.644742 5634.000       206.7384 5634.000       206.7384 5634.000       206.7384 523.8878 9.644742 523.8878 9.644742 0.000000       0.000000 
1 1 1 8  0  -7  o 94.06266 6.170246 183.6000       23.52743 183.6000       23.52743 183.6000       23.52743 94.06266 6.170246 94.06266 6.170246 0.000000       0.000000 
1 1 1 8  0  -6  o 25.58920 13.00914 19.72000       17.06547 19.72000       17.06547 19.72000       17.06547 25.58920 13.00914 25.58920 13.00914 0.000000       0.000000 
1 1 1 8  0  -5  o 143.4429 5.134356 423.1000       30.06935 423.1000       30.06935 423.1000       30.06935 143.4429 5.134356 143.4429 5.134356 0.000000       0.000000 
1 1 1 8  0  -4  o 107.1953 5.280001 237.1000       23.04694 237.1000       23.04694 237.1000       23.04694 107.1953 5.280001 107.1953 5.280001 0.000000       0.000000 
1 1 1 8  0  -3  o 22.29622 12.13875 14.33000       15.67694 14.33000       15.67694 14.33000       15.67694 22.29622 12.13875 22.29622 12.13875 0.000000       0.000000 
1 1 1 8  0  -2  o 292.7968 6.227129 1759.000       74.58217 1759.000       74.58217 1759.000       74.58217 292.7968 6.227129 292.7968 6.227129 0.000000       0.000000 
1 1 1 8  0  -1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  0  0   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  0  1   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  0  2   o 682.0650 12.15863 9563.000       339.3310 9563.000       339.3310 9563.000       339.3310 682.0650 12.15863 682.0650 12.15863 0.000000       0.000000 
1 1 1 8  0  3   o 42.37870 10.64473 43.10000       15.97649 43.10000       15.97649 43.10000       15.97649 42.37870 10.64473 42.37870 10.64473 0.000000       0.000000 
1 1 1 8  0  4   o 439.5851 8.281842 3966.000       148.9521 3966.000       148.9521 3966.000       148.9521 439.5851 8.281842 439.5851 8.281842 0.000000       0.000000 
1 1 1 8  0  5   o 246.4256 5.627666 1246.000       56.71876 1246.000       56.71876 1246.000       56.71876 246.4256 5.627666 246.4256 5.627666 0.000000       0.000000 
1 1 1 8  0  6   o 24.18483 12.25564 17.62000       15.11822 17.62000       15.11822 17.62000       15.11822 24.18483 12.25564 24.18483 12.25564 0.000000       0.000000 
1 1 1 8  0  7   o 563.0661 10.20408 6510.000       235.0909 6510.000       235.0909 6510.000       235.0909 563.0661 10.20408 563.0661 10.20408 0.000000       0.000000 
1 1 1 8  0  8   o 57.72816 7.261966 71.46000       16.42981 71.46000       16.42981 71.46000       16.42981 57.72816 7.261966 57.72816 7.261966 0.000000       0.000000 
1 1 1 8  0  9   o 198.3916 5.144920 807.8000       41.73167 807.8000       41.73167 807.8000       41.73167 198.3916 5.144920 198.3916 5.144920 0.000000       0.000000 
1 1 1 8  0  10  o 252.6032 5.658656 1309.000       58.46343 1309.000       58.46343 1309.000       58.46343 252.6032 5.658656 252.6032 5.658656 0.000000       0.000000 
1 1 1 8  0  11  o 36.51088 11.63607 34.50000       15.31789 34.50000       15.31789 34.50000       15.31789 36.51088 11.63607 36.51088 11.63607 0.000000       0.000000 
1 1 1 8  0  12  o 466.3991 8.669197 4463.000       165.4331 4463.000       165.4331 4463.000       165.4331 466.3991 8.669197 466.3991 8.669197 0.000000       0.000000 
1 1 1 8  0  13  o 56.46808 7.664443 68.85000       16.80078 68.85000       16.80078 68.85000       16.80078 56.46808 7.664443 56.46808 7.664443 0.000000       0.000000 
1 1 1 8  0  14  o 44.24695 10.26207 46.03000       16.17317 46.03000       16.17317 46.03000       16.17317 44.24695 10.26207 44.24695 10.26207 0.000000       0.000000 
1 1 1 8  0  15  o 428.3639 8.076678 3765.000       141.5538 3765.000       141.5538 3765.000       141.5538 428.3639 8.076678 428.3639 8.076678 0.000000       0.000000 
1 1 1 8  0  16  o 223.8222 5.364572 1028.000       49.10196 1028.000       49.10196 1028.000       49.10196 223.8222 5.364572 223.8222 5.364572 0.000000       0.000000 
1 1 1 8  0  17  o 18.56573 11.23763 6.634000       15.74026 6.634000       15.74026 6.634000       15.74026 18.56573 11.23763 18.56573 11.23763 0.000000       0.000000 
1 1 1 8  0  18  o 221.3871 3.807807 1004.748       34.49546 1004.748       34.49546 1004.748       34.49546 221.3871 3.807807 221.3871 3.807807 0.000000       0.000000 
1 1 1 8  0  19  o 19.00220 10.39899 10.34862       11.56679 10.34862       11.56679 10.34862       11.56679 19.00220 10.39899 19.00220 10.39899 0.000000       0.000000 
1 1 1 8  0  20  o 92.42039 4.106525 176.0213       15.47053 176.0213       15.47053 176.0213       15.47053 92.42039 4.106525 92.42039 4.106525 0.000000       0.000000 
1 1 1 8  0  21  o 34.07935 10.53661 29.78003       12.86904 29.78003       12.86904 29.78003       12.86904 34.07935 10.53661 34.07935 10.53661 0.000000       0.000000 
1 1 1 8  0  22  o 163.4625 3.680379 548.2635       24.60582 548.2635       24.60582 548.2635       24.60582 163.4625 3.680379 163.4625 3.680379 0.000000       0.000000 
1 1 1 8  0  23  o 43.76245 8.580420 43.57491       13.68828 43.57491       13.68828 43.57491       13.68828 43.76245 8.580420 43.76245 8.580420 0.000000       0.000000 
1 1 1 8  0  24  o 122.6306 6.090956 311.0000       30.41210 311.0000       30.41210 311.0000       30.41210 122.6306 6.090956 122.6306 6.090956 0.000000       0.000000 
1 1 1 8  0  25  o 60.08009 5.554716 75.98414       13.38200 75.98414       13.38200 75.98414       13.38200 60.08009 5.554716 60.08009 5.554716 0.000000       0.000000 
1 1 1 8  0  26  o 72.06661 4.651962 107.9233       13.59468 107.9233       13.59468 107.9233       13.59468 72.06661 4.651962 72.06661 4.651962 0.000000       0.000000 
1 1 1 8  0  27  o 182.2623 5.550170 685.1000       41.33466 685.1000       41.33466 685.1000       41.33466 182.2623 5.550170 182.2623 5.550170 0.000000       0.000000 
1 1 1 8  0  28  o 49.44240 12.94993 60.41000       22.65159 60.41000       22.65159 60.41000       22.65159 49.44240 12.94993 49.44240 12.94993 0.000000       0.000000 
1 1 1 8  0  29  o 22.93064 13.52851 13.37000       21.71697 13.37000       21.71697 13.37000       21.71697 22.93064 13.52851 22.93064 13.52851 0.000000       0.000000 
1 1 1 8  0  30  o 15.75397 10.75193 -11.76000      21.57640 -11.76000      21.57640 -11.76000      21.57640 15.75397 10.75193 15.75397 10.75193 0.000000       0.000000 
1 1 1 8  0  31  o 107.9971 6.378713 244.6000       27.98047 244.6000       27.98047 244.6000       27.98047 107.9971 6.378713 107.9971 6.378713 0.000000       0.000000 
1 1 1 8  0  32  o 15.85992 10.75209 -8.771000      20.83912 -8.771000      20.83912 -8.771000      20.83912 15.85992 10.75209 15.85992 10.75209 0.000000       0.000000 
1 1 1 8  0  33  o 100.0956 6.812795 212.7000       27.62141 212.7000       27.62141 212.7000       27.62141 100.0956 6.812795 100.0956 6.812795 0.000000       0.000000 
1 1 1 8  0  34  o 18.79960 12.11078 3.255000       21.51508 3.255000       21.51508 3.255000       21.51508 18.79960 12.11078 18.79960 12.11078 0.000000       0.000000 
1 1 1 8  0  35  o 91.59503 7.290355 181.3000       26.93255 181.3000       26.93255 181.3000       26.93255 91.59503 7.290355 91.59503 7.290355 0.000000       0.000000 
1 1 1 8  0  36  o 45.21046 14.79089 59.53000       24.26243 59.53000       24.26243 59.53000       24.26243 45.21046 14.79089 45.21046 14.79089 0.000000       0.000000 
1 1 1 8  0  37  o 19.15709 12.22636 7.081000       21.29481 7.081000       21.29481 7.081000       21.29481 19.15709 12.22636 19.15709 12.22636 0.000000       0.000000 
1 1 1 8  0  38  o 23.95050 14.09173 20.70000       23.45110 20.70000       23.45110 20.70000       23.45110 23.95050 14.09173 23.95050 14.09173 0.000000       0.000000 
1 1 1 8  0  39  o 24.36150 14.23232 21.96000       23.63683 21.96000       23.63683 21.96000       23.63683 24.36150 14.23232 24.36150 14.23232 0.000000       0.000000 
1 1 1 8  0  40  o 21.28671 13.32690 13.98000       23.96372 13.98000       23.96372 13.98000       23.96372 21.28671 13.32690 21.28671 13.32690 0.000000       0.000000 
1 1 1 8  0  41  o 21.87741 13.62692 17.01000       24.72581 17.01000       24.72581 17.01000       24.72581 21.87741 13.62692 21.87741 13.62692 0.000000       0.000000 
1 1 1 8  1  -41 o 15.92512 7.520648 -8.787606      12.85617 -30.43000      24.74713 -0.7876831     15.04579 18.61430 9.167566 19.29856 8.761927 -0.6842632     12.68131 
1 1 1 8  1  -40 o 49.06291 9.325092 61.94992       18.04939 38.08000       25.79741 84.84000       25.26237 34.12684 13.11975 54.54238 11.66449 -20.41553      17.55529 
1 1 1 8  1  -39 o 50.69302 8.665597 62.72912       17.34174 73.90000       24.80564 52.05000       24.25351 51.38192 12.00721 41.58643 12.90225 9.795483       17.62501 
1 1 1 8  1  -38 o 40.33146 10.24756 42.28876       16.95498 55.87000       24.31730 29.44000       23.65246 43.82869 12.77193 32.74688 12.56934 11.08181       17.91956 
1 1 1 8  1  -37 o 31.26858 10.53861 25.28663       15.98095 23.27000       22.81246 27.23000       22.39428 30.58809 12.16542 32.02270 12.24573 -1.434612      17.26138 
1 1 1 8  1  -36 o 36.74221 10.40378 34.45894       16.35784 23.73000       23.23078 45.01000       23.03739 31.41875 12.34489 40.28200 12.58678 -8.863255      17.63018 
1 1 1 8  1  -35 o 21.72556 9.509062 0.9299663      16.10585 -18.24000      22.79198 20.05000       22.76228 20.93973 9.925777 30.79081 12.18211 -9.851076      15.71385 
1 1 1 8  1  -34 o 26.84669 10.32458 13.68310       15.97993 16.06000       23.56637 11.66000       21.74182 30.15123 12.23419 28.10615 11.61611 2.045082       16.87037 
1 1 1 8  1  -33 o 60.97356 7.420882 81.76604       18.14658 62.85000       26.73318 97.93000       24.71209 49.97004 12.95782 65.45222 9.497730 -15.48218      16.06586 
1 1 1 8  1  -32 o 60.11341 7.944393 79.44357       19.07671 37.53000       28.15860 115.0000       25.93540 39.80712 13.96693 71.82806 9.016226 -32.02094      16.62430 
1 1 1 8  1  -31 o 29.86104 11.22821 16.57285       18.63794 -11.27000      28.49138 37.40000       24.64176 26.25256 11.97276 40.08710 13.07203 -13.83454      17.72639 
1 1 1 8  1  -30 o 32.33382 11.52209 21.08581       19.22384 8.273000       30.76859 29.29000       24.62087 32.10798 13.58082 37.10144 13.05672 -4.993458      18.83923 
1 1 1 8  1  -29 o 99.20268 5.758418 205.5907       23.29057 194.9000       36.69944 212.8000       30.13728 94.93314 9.571531 100.2943 7.390337 -5.361183      12.09261 
1 1 1 8  1  -28 o 98.83271 5.971781 203.6837       24.05459 193.6000       36.67014 211.3000       31.86945 95.01440 9.554971 100.0225 7.844014 -5.008110      12.36228 
1 1 1 8  1  -27 o 118.5982 5.567546 291.6474       26.96202 268.6000       40.68210 309.7000       36.00498 112.7042 8.887199 121.6934 7.258537 -8.989128      11.47470 
1 1 1 8  1  -26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  1  -25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  1  -24 o 126.0241 5.705945 327.6761       29.36821 336.5000       45.34407 321.3000       38.54515 127.0587 8.769279 124.4196 7.602119 2.639084       11.60571 
1 1 1 8  1  -23 o 123.6924 5.636003 315.2897       28.47056 315.8000       43.26398 314.9000       37.81151 123.2588 8.626497 123.3036 7.524827 -0.4481506E-01 11.44725 
1 1 1 8  1  -22 o 71.53622 8.659396 107.1848       24.84949 118.6000       38.89228 99.31000       32.30296 74.29802 13.27087 68.11806 12.02053 6.179955       17.90556 
1 1 1 8  1  -21 o 110.7018 5.799514 252.4210       26.19711 263.3000       40.35906 244.5000       34.43806 112.6337 8.821132 108.6803 7.790293 3.953430       11.76865 
1 1 1 8  1  -20 o 185.7816 4.465484 707.8527       33.97001 643.9000       48.60909 768.9000       47.49208 176.8729 6.723933 193.4014 6.004317 -16.52850      9.014606 
1 1 1 8  1  -19 o 308.1652 4.825490 1947.705       60.89049 2035.000       89.99426 1874.000       82.69267 314.6938 6.983967 302.0349 6.686293 12.65887       9.668625 
1 1 1 8  1  -18 o 100.3958 5.419811 207.3583       22.19785 206.5000       33.93943 208.0000       29.34449 99.85307 8.377954 100.3687 7.187678 -0.5156097     11.03870 
1 1 1 8  1  -17 o 163.6175 4.184552 548.9825       28.01216 612.4000       42.48257 500.2000       37.25964 172.6725 6.017660 156.0494 5.841434 16.62306       8.386572 
1 1 1 8  1  -16 f 212.8363 4.121771 928.1866       35.92146 970.8000       52.92936 891.8000       48.90963 217.4915 5.948919 208.4658 5.735193 9.025681       8.263297 
1 1 1 8  1  -15 o 180.4340 4.015174 666.9824       29.66519 642.3000       42.51558 690.4000       41.41203 176.9009 5.877559 183.4383 5.519584 -6.537399      8.062971 
1 1 1 8  1  -14 o 40.55947 9.635282 35.15047       15.76384 4.320000       23.60203 59.98000       21.18086 29.15641 12.08138 53.15841 10.09993 -24.00200      15.74701 
1 1 1 8  1  -13 o 163.0343 3.887357 544.4534       25.95123 537.8000       37.44967 550.6000       35.99471 161.8932 5.658003 163.8285 5.372949 -1.935272      7.802665 
1 1 1 8  1  -12 o 317.0222 4.708734 2059.008       61.12492 2099.000       88.16951 2022.000       84.81539 319.9771 6.729380 314.0616 6.595314 5.915588       9.422459 
1 1 1 8  1  -11 o 460.9032 6.134188 4353.928       115.7687 4333.000       163.4426 4375.000       164.0022 459.5458 8.685843 461.7690 8.673624 -2.223267      12.27500 
1 1 1 8  1  -10 o 491.8611 6.473118 4959.101       130.3708 4839.000       180.8620 5089.000       188.0951 485.5834 9.096177 497.9521 9.224981 -12.36862      12.95534 
1 1 1 8  1  -9  o 410.9816 5.607666 3461.335       94.36893 3370.000       130.9556 3560.000       136.1092 405.3383 7.890087 416.5994 7.978927 -11.26111      11.22126 
1 1 1 8  1  -8  o 25.97212 10.53788 5.471000       17.48321 0.000000       0.000000 5.471000       17.48321 ?        ?        25.97212 10.53788 ?              ?        
1 1 1 8  1  -7  o 243.8768 5.743083 1219.000       57.35087 0.000000       0.000000 1219.000       57.35087 ?        ?        243.8768 5.743083 ?              ?        
1 1 1 8  1  -6  o 201.7099 5.348484 834.4000       44.13662 0.000000       0.000000 834.4000       44.13662 ?        ?        201.7099 5.348484 ?              ?        
1 1 1 8  1  -5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  1  -4  o 360.2766 5.065353 2659.976       74.72575 2529.000       101.8005 2813.000       110.0357 351.1364 7.080265 370.3105 7.256765 -19.17410      10.13858 
1 1 1 8  1  -3  f 191.3788 3.706444 750.2512       29.04529 731.3000       40.65938 770.0000       41.50619 188.8235 5.263859 193.7609 5.236253 -4.937378      7.424726 
1 1 1 8  1  -2  o 87.13251 4.101461 155.8809       14.59226 154.4000       20.86031 157.3000       20.41989 86.58208 5.919551 87.41080 5.736816 -0.8287125     8.243309 
1 1 1 8  1  -1  f 59.22715 7.241041 73.03000       17.19611 0.000000       0.000000 73.03000       17.19611 ?        ?        59.22715 7.241041 ?              ?        
1 1 1 8  1  0   o 82.64480 5.780891 140.7000       19.43960 0.000000       0.000000 140.7000       19.43960 ?        ?        82.64480 5.780891 ?              ?        
1 1 1 8  1  1   f 212.7518 5.287542 927.7000       46.06292 0.000000       0.000000 927.7000       46.06292 ?        ?        212.7518 5.287542 ?              ?        
1 1 1 8  1  2   o 106.8470 3.660970 234.1262       15.99340 244.7000       23.36232 224.8000       21.94073 109.1423 5.242886 104.6070 5.138033 4.535332       7.340793 
1 1 1 8  1  3   f 305.2974 4.499564 1909.728       56.24941 1927.000       80.19179 1893.000       78.92081 306.5562 6.388447 303.8431 6.343337 2.713165       9.002788 
1 1 1 8  1  4   o 124.2075 5.126738 316.7000       26.01830 316.7000       26.01830 0.000000       0.000000 124.2075 5.126738 ?        ?        ?              ?        
1 1 1 8  1  5   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  1  6   o 619.6788 11.14187 7895.000       282.7152 7895.000       282.7152 0.000000       0.000000 619.6788 11.14187 ?        ?        ?              ?        
1 1 1 8  1  7   o 282.3386 6.035492 1634.000       69.77621 0.000000       0.000000 1634.000       69.77621 ?        ?        282.3386 6.035492 ?              ?        
1 1 1 8  1  8   o 254.7486 4.067372 1329.352       42.42775 1261.000       58.53740 1405.000       61.58213 248.0489 5.763306 261.8300 5.743953 -13.78113      8.136872 
1 1 1 8  1  9   o 105.0517 3.801704 226.3364       16.32636 208.5000       23.75649 242.3000       22.47471 100.6995 5.785787 108.6285 5.066685 -7.928970      7.690684 
1 1 1 8  1  10  o 503.4608 6.544522 5195.904       134.9174 5209.000       191.5114 5183.000       190.1005 503.7809 9.283860 502.5281 9.238436 1.252747       13.09728 
1 1 1 8  1  11  o 370.1129 5.125565 2806.656       77.67840 2826.000       110.8629 2788.000       108.8719 371.2433 7.292950 368.7451 7.210492 2.498108       10.25565 
1 1 1 8  1  12  o 355.6979 4.978537 2592.236       72.51159 2608.000       103.4304 2577.000       101.6856 356.6443 7.082530 354.5240 7.004699 2.120270       9.961328 
1 1 1 8  1  13  o 594.1456 6.179898 7236.128       150.3483 7221.235       184.0508 7266.000       260.6592 593.3534 7.575299 594.6511 10.70500 -1.297668      13.11419 
1 1 1 8  1  14  o 77.28947 3.594676 122.6228       11.34523 131.9530       14.28762 106.7000       18.66487 80.13489 4.370801 71.85476 6.411001 8.280128       7.759177 
1 1 1 8  1  15  o 361.5359 5.028164 2678.806       74.43639 2815.000       109.5500 2562.000       101.4535 370.4113 7.222771 353.3955 7.011027 17.01581       10.06593 
1 1 1 8  1  16  f 335.4144 3.914338 2305.012       53.76065 2290.623       65.76351 2334.000       93.34244 334.3044 4.804171 337.2745 6.758825 -2.970093      8.292273 
1 1 1 8  1  17  o 306.3913 3.684504 1923.420       46.22532 1901.205       56.37587 1969.000       80.75175 304.5590 4.520615 309.7692 6.366333 -5.210205      7.808083 
1 1 1 8  1  18  o 152.3434 3.562854 475.5598       22.22521 459.3000       31.84558 491.0000       31.03258 149.5551 5.208192 154.6613 4.906384 -5.106247      7.155269 
1 1 1 8  1  19  o 368.0943 4.179068 2777.691       62.98874 2810.000       78.19948 2718.000       106.2900 370.1013 5.160108 363.6598 7.137937 6.441528       8.807773 
1 1 1 8  1  20  o 119.7710 3.233223 294.1729       15.84216 278.0148       20.25981 319.6000       25.41490 116.3616 4.259267 124.7092 4.987032 -8.347649      6.558342 
1 1 1 8  1  21  o 220.2469 3.202092 994.1572       28.87806 962.7986       35.54940 1055.000       49.51743 216.6832 4.006661 226.6822 5.334779 -9.998962      6.671821 
1 1 1 8  1  22  o 311.9399 3.266007 1994.690       41.71694 1983.615       59.19902 2005.615       58.79636 310.8745 4.650558 312.6033 4.593381 -1.728790      6.536577 
1 1 1 8  1  23  o 81.71312 3.867509 137.2962       12.90367 118.4000       25.52499 143.7832       14.95543 75.21371 8.432940 83.57507 4.385509 -8.361351      9.505113 
1 1 1 8  1  24  o 217.2078 2.759206 967.2184       24.54053 939.1168       35.07904 994.1542       34.34373 213.8714 4.005629 220.0784 3.811059 -6.207047      5.528944 
1 1 1 8  1  25  o 320.0022 3.309247 2101.618       43.36172 2088.456       61.67471 2114.484       60.97673 318.5971 4.727601 320.6037 4.644845 -2.006592      6.627578 
1 1 1 8  1  26  o 36.16640 6.154619 27.78842       8.788294 24.48542       14.48335 29.71325       11.05633 33.78658 9.859909 37.16313 7.524058 -3.376545      12.40279 
1 1 1 8  1  27  o 64.02184 4.673782 84.98363       12.16799 76.02613       14.63961 105.0000       21.88410 60.27814 6.011302 70.50783 7.705246 -10.22968      9.772747 
1 1 1 8  1  28  o 76.87776 3.877459 122.0703       12.16656 111.5866       14.24091 150.4000       23.40997 73.32594 4.768900 84.63017 6.812929 -11.30423      8.316153 
1 1 1 8  1  29  o 57.64515 4.655827 69.22704       10.89622 69.90569       12.70537 67.34000       21.18635 57.74990 5.436906 55.32069 9.706690 2.429211       11.12564 
1 1 1 8  1  30  o 29.48201 11.35682 14.40000       19.35750 0.000000       0.000000 14.40000       19.35750 ?        ?        29.48201 11.35682 ?              ?        
1 1 1 8  1  31  o 92.25683 3.269232 175.9286       12.33053 175.9020       14.45374 176.0000       23.63334 92.08375 3.841740 91.07783 6.377365 1.005920       7.445116 
1 1 1 8  1  32  o 44.31104 9.108795 44.60986       15.97451 21.59000       24.60630 61.38000       21.00212 33.25836 12.80617 51.53655 10.31258 -18.27819      16.44224 
1 1 1 8  1  33  o 71.40060 5.979644 109.2289       17.32200 85.67000       25.47092 129.5000       23.62688 60.33171 10.70226 76.76381 7.617030 -16.43210      13.13612 
1 1 1 8  1  34  o 40.36232 9.747499 38.73996       15.92670 63.89000       23.19111 16.29000       21.91089 50.97695 11.39682 29.75223 11.89284 21.22472       16.47201 
1 1 1 8  1  35  o 29.09058 10.57272 19.06089       16.27956 7.277000       23.96375 29.16000       22.18461 27.12964 11.73939 34.25939 12.35727 -7.129755      17.04451 
1 1 1 8  1  36  o 46.15187 9.167640 51.54737       16.71402 56.48000       24.06426 46.95000       23.23210 45.28803 12.54556 41.12648 12.60456 4.161556       17.78388 
1 1 1 8  1  37  o 24.90847 10.10568 11.69590       16.07734 -30.71000      23.19176 50.93000       22.30758 18.66848 9.128431 42.54929 12.18297 -23.88081      15.22343 
1 1 1 8  1  38  o 23.77241 10.05567 8.111909       16.87016 -0.8392000     24.27751 16.47000       23.45953 24.14472 11.02694 28.34917 11.91741 -4.204449      16.23632 
1 1 1 8  1  39  o 37.15653 10.88178 37.63738       17.61379 44.07000       25.64138 31.89000       24.23720 37.70405 13.31973 33.22668 12.73129 4.477367       18.42555 
1 1 1 8  1  40  o 19.95674 9.185527 -3.413700      17.29481 -13.17000      25.51161 4.883000       23.52599 21.54006 10.29187 24.27409 10.99523 -2.734028      15.06047 
1 1 1 8  1  41  o 37.77172 13.12553 49.09000       24.83345 0.000000       0.000000 49.09000       24.83345 ?        ?        37.77172 13.12553 ?              ?        
1 1 1 8  2  -40 o 42.30135 8.051078 44.38955       13.43615 37.67562       15.51006 64.58000       26.89664 37.01042 9.999632 43.54566 13.59930 -6.535240      16.87997 
1 1 1 8  2  -39 o 19.53722 8.350325 3.851019       11.84346 -1.804967      13.63613 21.22000       23.89594 18.58438 8.399057 29.04439 12.10575 -10.46001      14.73409 
1 1 1 8  2  -38 o 20.91451 9.400313 -0.6644680     16.81389 -16.47000      23.53932 15.80000       24.02499 20.80763 9.926506 28.13044 11.95379 -7.322813      15.53797 
1 1 1 8  2  -37 o 24.93113 10.19086 11.56871       16.49647 21.25000       23.14022 1.564000       23.52356 29.83171 12.11625 24.41492 11.03308 5.416794       16.38696 
1 1 1 8  2  -36 o 20.18271 9.086441 -1.924231      15.78333 -0.2161000     21.98185 -3.742000      22.67635 23.58239 10.66032 23.06719 10.58065 0.5151978      15.01974 
1 1 1 8  2  -35 o 23.97736 9.948132 8.156875       16.03161 22.18000       22.94783 -5.212000      22.40612 31.08964 12.25303 23.04838 10.55161 8.041260       16.17013 
1 1 1 8  2  -34 o 43.87128 9.635400 45.98328       16.83456 41.31000       24.77806 49.99000       22.94301 39.60942 13.11813 43.94905 12.27801 -4.339626      17.96761 
1 1 1 8  2  -33 o 55.52115 7.912285 69.04773       17.47968 40.72000       26.51209 90.83000       23.24822 39.91943 13.57312 62.83022 9.318386 -22.91079      16.46395 
1 1 1 8  2  -32 o 59.23944 7.904725 77.65622       18.69629 67.47000       30.76670 83.62000       23.54156 51.17736 14.18873 60.31743 9.872905 -9.140072      17.28567 
1 1 1 8  2  -31 o 51.51147 9.207162 59.77839       18.70738 15.33000       30.85696 85.61000       23.52345 33.24216 13.79767 61.61489 9.639476 -28.37273      16.83137 
1 1 1 8  2  -30 o 77.72307 6.643013 128.5623       20.93918 123.8000       35.98631 131.0000       25.74642 72.95166 12.49623 77.69841 8.216795 -4.746750      14.95565 
1 1 1 8  2  -29 o 72.56841 7.240940 112.2399       21.22935 114.6000       37.19922 111.1000       25.85277 70.20780 13.42887 71.43033 9.041147 -1.222527      16.18879 
1 1 1 8  2  -28 o 151.4382 4.762020 475.2331       29.49245 457.8000       47.46010 486.2000       37.64284 147.0903 7.908977 152.6254 6.035150 -5.535156      9.948616 
1 1 1 8  2  -27 o 96.94317 6.053396 195.9917       23.90936 195.8000       39.79831 196.1000       29.90812 95.25155 10.37123 96.45480 7.634755 -1.203255      12.87835 
1 1 1 8  2  -26 o 56.74660 9.980016 69.88636       22.34351 8.077000       37.71901 103.3000       27.73289 35.84441 15.09230 69.23679 10.07770 -33.39238      18.14766 
1 1 1 8  2  -25 o 73.10917 8.066988 112.6099       23.74841 127.6000       40.40804 104.7000       29.35280 76.14703 13.45133 69.74841 10.61168 6.398621       17.13319 
1 1 1 8  2  -24 o 55.47969 10.95497 66.76372       24.00334 57.96000       40.78214 71.43000       29.69084 51.99709 16.80628 56.95834 13.01567 -4.961246      21.25697 
1 1 1 8  2  -23 o 153.8140 5.004477 486.9883       31.47752 558.3000       51.55345 444.6000       39.74663 164.1204 7.692736 146.6579 6.635859 17.46259       10.15937 
1 1 1 8  2  -22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  2  -21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  2  -20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  2  -19 o 284.3040 6.513026 1661.000       75.82111 0.000000       0.000000 1661.000       75.82111 ?        ?        284.3040 6.513026 ?              ?        
1 1 1 8  2  -18 o 81.57610 8.564919 138.5000       28.18334 0.000000       0.000000 138.5000       28.18334 ?        ?        81.57610 8.564919 ?              ?        
1 1 1 8  2  -17 o 230.6318 4.409929 1090.446       41.64618 1085.000       61.71587 1095.000       56.43144 229.7784 6.566118 230.9095 5.973374 -1.131073      8.876660 
1 1 1 8  2  -16 o 468.5941 6.309237 4506.137       121.0593 4386.000       168.5979 4634.000       173.9341 461.7674 8.916705 474.6347 8.949543 -12.86731      12.63337 
1 1 1 8  2  -15 o 237.2662 4.342493 1153.676       42.18902 1063.000       59.39754 1246.000       59.93465 227.5355 6.381520 246.4742 5.938574 -18.93869      8.717251 
1 1 1 8  2  -14 o 388.3504 7.851135 3096.000       124.8477 3096.000       124.8477 0.000000       0.000000 388.3504 7.851135 ?        ?        ?              ?        
1 1 1 8  2  -13 o 188.7536 4.125207 729.9045       31.88345 662.5000       45.74173 793.6000       44.46537 179.6453 6.227727 196.6892 5.526468 -17.04393      8.326250 
1 1 1 8  2  -12 o 402.2738 5.564137 3316.622       91.65243 3384.000       132.6079 3255.000       126.8181 406.1139 7.974385 398.3192 7.775449 7.794647       11.13770 
1 1 1 8  2  -11 o 230.7115 4.119928 1090.344       38.92093 1094.000       56.30946 1087.000       53.85740 230.9543 5.959281 230.3009 5.711172 0.6533051      8.254121 
1 1 1 8  2  -10 o 242.8909 4.161594 1208.479       41.39000 1282.000       61.60904 1148.000       55.87828 250.1006 6.015966 236.6794 5.765781 13.42116       8.332832 
1 1 1 8  2  -9  o 410.0007 5.615662 3444.752       94.27792 3644.000       140.1346 3280.000       127.4277 421.4830 8.119718 399.9091 7.781763 21.57385       11.24658 
1 1 1 8  2  -8  o 246.7734 4.163440 1247.406       42.07026 1250.000       60.64768 1245.000       58.40814 246.9637 5.997311 246.4781 5.787229 0.4856415      8.334252 
1 1 1 8  2  -7  o 422.6313 5.734887 3660.414       99.24551 3773.000       144.5449 3560.000       136.5083 428.8658 8.231082 416.6068 8.002183 12.25906       11.47979 
1 1 1 8  2  -6  f 230.8386 4.036457 1091.493       38.15339 1145.000       56.62427 1047.000       51.63438 236.3663 5.850494 226.0353 5.578768 10.33109       8.083993 
1 1 1 8  2  -5  o 385.3021 5.339011 3042.085       84.23383 3169.000       123.5937 2932.000       115.1078 393.0765 7.678825 378.1134 7.434609 14.96304       10.68821 
1 1 1 8  2  -4  o 513.0840 6.689732 5397.341       140.5470 5622.000       206.3698 5203.000       191.9406 523.2607 9.631715 503.4319 9.311117 19.82874       13.39652 
1 1 1 8  2  -3  o 395.4092 5.432155 3204.054       87.95152 3267.000       126.9755 3146.000       121.9417 399.0765 7.770325 391.6326 7.604119 7.443970       10.87201 
1 1 1 8  2  -2  o 114.1614 3.841204 267.2598       17.93050 251.6000       25.98180 281.5000       24.77624 110.6467 5.754414 117.0922 5.180353 -6.445496      7.742695 
1 1 1 8  2  -1  o 330.3164 4.777006 2235.529       64.61156 2229.000       91.57558 2242.000       91.17483 329.7082 6.783059 330.6719 6.733693 -0.9636841     9.557850 
1 1 1 8  2  0   o 283.5150 4.346163 1646.708       50.45526 1620.000       70.97167 1674.000       71.74361 281.1179 6.165554 285.7668 6.131222 -4.648865      8.695168 
1 1 1 8  2  1   o 73.40913 4.736245 110.8700       14.16070 78.32000       20.89876 138.5000       19.25464 61.18550 8.576790 82.00141 5.771283 -20.81591      10.33775 
1 1 1 8  2  2   o 351.1237 4.960443 2526.180       71.31898 2461.000       99.17062 2596.000       102.6393 346.4268 6.991126 355.7974 7.045092 -9.370514      9.925178 
1 1 1 8  2  3   o 341.3437 4.861282 2387.306       67.94650 2450.000       98.32385 2330.000       94.00343 345.6600 6.946808 337.0988 6.810235 8.561249       9.728177 
1 1 1 8  2  4   o 345.6694 6.913631 2450.000       97.85693 0.000000       0.000000 2450.000       97.85693 ?        ?        345.6694 6.913631 ?              ?        
1 1 1 8  2  5   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  2  6   f 234.4100 5.519742 1126.000       52.98092 0.000000       0.000000 1126.000       52.98092 ?        ?        234.4100 5.519742 ?              ?        
1 1 1 8  2  7   o 141.2215 2.909317 408.4159       16.82350 408.9589       20.84031 407.4000       28.50477 141.2602 3.605913 140.9266 4.947369 0.3335876      6.122015 
1 1 1 8  2  8   o 305.0651 3.675900 1906.111       45.91774 1935.111       56.90725 1852.000       77.73377 307.3463 4.521839 300.5898 6.315548 6.756531       7.767444 
1 1 1 8  2  9   o 272.6434 4.227157 1522.677       47.19193 1522.677       47.19193 0.000000       0.000000 272.6434 4.227157 ?        ?        ?              ?        
1 1 1 8  2  10  o 186.8016 3.664294 714.7069       28.02821 714.7069       28.02821 0.000000       0.000000 186.8016 3.664294 ?        ?        ?              ?        
1 1 1 8  2  11  o 158.4976 3.582697 514.5347       23.25184 514.5347       23.25184 0.000000       0.000000 158.4976 3.582697 ?        ?        ?              ?        
1 1 1 8  2  12  o 74.47060 3.772654 113.8901       11.46672 115.8702       14.51259 110.6000       18.70744 75.05116 4.746722 73.17934 6.304522 1.871819       7.891665 
1 1 1 8  2  13  o 327.0407 3.859200 2191.009       51.68012 2187.933       63.57795 2197.000       88.72797 326.7632 4.751698 327.3073 6.620342 -0.5440979     8.149083 
1 1 1 8  2  14  o 462.7762 4.991151 4389.399       94.57929 4402.482       116.4164 4364.000       162.2093 463.3375 6.136099 460.9470 8.594099 2.390503       10.55984 
1 1 1 8  2  15  o 122.1664 3.120683 305.9119       15.59804 302.2545       19.86002 311.8000       25.19918 121.3883 4.001035 123.2274 5.004484 -1.839096      6.407273 
1 1 1 8  2  16  o 77.68908 4.573983 124.1495       14.48615 127.1000       21.75712 121.8000       19.41533 78.38680 6.847171 76.79259 6.227894 1.594208       9.255831 
1 1 1 8  2  17  o 319.7269 3.823492 2094.992       50.05687 2097.097       61.86493 2091.000       85.18473 319.8042 4.724283 319.1214 6.519007 0.6828308      8.050858 
1 1 1 8  2  18  o 109.0453 3.959790 244.0655       17.65150 240.1000       26.80933 247.1000       23.45214 107.9672 6.088820 109.6187 5.240018 -1.651466      8.033152 
1 1 1 8  2  19  o 255.4272 4.129005 1337.754       43.18541 1350.000       63.15650 1327.000       59.18367 256.3793 6.016040 254.2288 5.685291 2.150452       8.277395 
1 1 1 8  2  20  o 134.7129 3.759134 372.3635       20.71556 386.8000       32.22872 362.2000       27.04163 137.1026 5.753597 132.7490 4.983666 4.353546       7.611886 
1 1 1 8  2  21  o 117.9339 3.444129 285.3920       16.61411 272.0461       22.76532 300.6000       24.30165 115.0133 4.844791 120.9006 4.919159 -5.887329      6.904356 
1 1 1 8  2  22  o 225.6961 3.961699 1045.202       36.61255 1083.000       56.00949 1017.000       48.38020 229.3437 5.969249 222.4350 5.311781 6.908737       7.990429 
1 1 1 8  2  23  o 117.8390 3.449439 285.1256       16.62625 299.3893       23.96995 271.9000       23.08136 120.5826 4.864638 114.8969 4.917385 5.685699       6.917035 
1 1 1 8  2  24  o 107.2697 3.571924 236.4978       15.66743 228.6568       21.78406 244.9000       22.54996 105.2673 5.068729 108.9503 5.068560 -3.683060      7.168146 
1 1 1 8  2  25  o 140.8515 4.256335 408.5191       24.52015 408.5191       24.52015 0.000000       0.000000 140.8515 4.256335 ?        ?        ?              ?        
1 1 1 8  2  26  o 173.7861 4.036118 621.6519       28.72124 621.6519       28.72124 0.000000       0.000000 173.7861 4.036118 ?        ?        ?              ?        
1 1 1 8  2  27  o 89.67899 4.914219 166.7501       17.97656 164.3000       28.87924 168.3000       22.96910 88.07754 8.098063 89.73936 6.290660 -1.661819      10.25432 
1 1 1 8  2  28  o 84.93142 4.007087 149.1746       13.89617 142.5148       17.78931 159.6000       22.25739 82.70402 5.280593 87.23745 6.272720 -4.533432      8.199492 
1 1 1 8  2  29  o 55.65123 6.916649 66.15377       15.42227 66.15377       15.42227 0.000000       0.000000 55.65123 6.916649 ?        ?        ?              ?        
1 1 1 8  2  30  o 112.6465 3.345758 262.1808       15.41540 259.7132       19.02331 266.9000       26.30813 111.8369 4.161355 112.6795 5.720631 -0.8426590     7.074071 
1 1 1 8  2  31  o 126.3363 3.643584 330.9001       18.82900 336.8000       25.16776 323.4000       28.37654 126.8492 4.854390 123.8432 5.610380 3.006042       7.418993 
1 1 1 8  2  32  o 62.86330 8.405828 88.12000       21.09546 0.000000       0.000000 88.12000       21.09546 ?        ?        62.86330 8.405828 ?              ?        
1 1 1 8  2  33  o 64.02296 8.656479 92.91000       22.11262 0.000000       0.000000 92.91000       22.11262 ?        ?        64.02296 8.656479 ?              ?        
1 1 1 8  2  34  o 53.88081 5.022755 62.08309       10.95389 60.70000       12.69239 66.12000       21.68420 52.81585 5.973605 52.18974 10.51081 0.6261177      12.08971 
1 1 1 8  2  35  o 40.72379 5.463372 36.25825       8.880693 35.55569       9.815093 39.43000       20.85466 39.97116 6.197361 38.48719 11.96788 1.483967       13.47729 
1 1 1 8  2  36  o 32.84618 10.79643 28.19777       16.79422 17.00000       24.29826 38.44000       23.23842 28.93472 12.14387 36.72269 12.70041 -7.787979      17.57197 
1 1 1 8  2  37  o 19.39969 8.957193 -6.312572      16.63053 6.313000       24.41576 -17.24000      22.71452 25.83870 11.49012 20.37547 9.728809 5.463224       15.05565 
1 1 1 8  2  38  o 24.81231 10.35758 10.63097       17.53188 6.730000       25.29024 14.24000       24.32552 26.07172 11.63743 27.75001 11.91601 -1.678291      16.65596 
1 1 1 8  2  39  o 39.51683 10.76251 43.09809       17.88198 28.93000       26.76588 54.52000       24.03228 31.55253 12.94866 42.05215 12.80655 -10.49962      18.21196 
1 1 1 8  2  40  o 18.82810 8.859419 -8.232441      17.55066 -14.56000      26.47686 -3.273000      23.44038 21.43937 10.30717 22.26998 10.40148 -0.8306026     14.64338 
1 1 1 8  3  -39 o 13.89584 6.746120 -15.85721      12.04676 -24.63120      13.75125 13.10000       24.98170 13.63358 6.736911 26.42029 11.69228 -12.78671      13.49427 
1 1 1 8  3  -38 o 22.49090 8.920794 9.840897       12.23486 6.168668       14.04156 21.42000       24.93378 21.63426 9.163669 29.51558 12.33874 -7.881329      15.36937 
1 1 1 8  3  -37 o 26.46332 9.206743 16.79647       12.22024 22.74508       14.02734 -1.932000      24.88967 29.91527 9.868690 24.09799 11.06512 5.817282       14.82660 
1 1 1 8  3  -36 o 24.84655 8.961755 14.08899       11.66779 8.754686       13.31113 31.78000       24.24111 22.64417 9.192264 33.63810 12.77005 -10.99393      15.73442 
1 1 1 8  3  -35 o 27.98732 8.822701 18.88766       11.29419 24.99853       12.83739 -2.044000      23.75895 31.75131 9.287467 23.99173 10.93845 7.759579       14.34945 
1 1 1 8  3  -34 o 26.38486 8.584576 16.03632       10.63040 5.745718       11.87452 57.57000       23.85590 21.03999 8.628483 46.52054 12.32744 -25.48055      15.04714 
1 1 1 8  3  -33 o 59.92513 4.797239 76.33054       11.67307 77.99438       13.29714 70.74000       24.37418 60.26307 5.447447 53.35675 11.49577 6.906322       12.72114 
1 1 1 8  3  -32 o 17.15076 7.427740 -0.1166115     9.610023 0.5359875      10.60187 -3.123000      22.75525 18.22486 7.846770 24.48690 10.97642 -6.262043      13.49272 
1 1 1 8  3  -31 o 41.67857 10.74863 41.17860       18.46290 43.74000       32.08027 39.91000       22.57668 41.93138 14.89036 40.49507 12.42819 1.436310       19.39544 
1 1 1 8  3  -30 o 24.09350 10.21698 3.439947       17.48852 19.71000       33.34627 -2.733000      20.53994 35.22615 14.45427 23.93182 10.59596 11.29433       17.92206 
1 1 1 8  3  -29 o 42.11124 10.74856 40.76227       18.59419 40.82000       35.24285 40.74000       21.88861 42.59377 15.54468 41.80801 12.09823 0.7857513      19.69782 
1 1 1 8  3  -28 o 94.64153 5.771746 187.6852       22.26093 164.8000       39.80521 198.1000       26.85271 85.72585 11.64020 96.80943 6.817610 -11.08358      13.48978 
1 1 1 8  3  -27 o 204.0513 4.468885 860.7806       37.33902 857.1000       58.57437 863.3000       48.46199 202.0224 7.091822 203.5875 5.819310 -1.565140      9.173784 
1 1 1 8  3  -26 o 41.70461 12.48388 38.54000       22.97713 0.000000       0.000000 38.54000       22.97713 ?        ?        41.70461 12.48388 ?              ?        
1 1 1 8  3  -25 o 91.38383 7.536566 175.3000       27.95071 0.000000       0.000000 175.3000       27.95071 ?        ?        91.38383 7.536566 ?              ?        
1 1 1 8  3  -24 o 68.24503 8.405185 98.54831       22.99216 99.92000       45.94370 98.09000       26.55689 66.11843 16.90596 67.67799 9.873820 -1.559563      19.57815 
1 1 1 8  3  -23 o 83.85160 7.248499 146.6771       24.64351 133.1000       47.08302 151.8000       28.92146 77.42147 15.39396 85.04488 8.415367 -7.623413      17.54401 
1 1 1 8  3  -22 o 70.82577 10.16269 106.6000       28.62979 0.000000       0.000000 106.6000       28.62979 ?        ?        70.82577 10.16269 ?              ?        
1 1 1 8  3  -21 o 312.2484 6.868235 2010.000       87.81520 0.000000       0.000000 2010.000       87.81520 ?        ?        312.2484 6.868235 ?              ?        
1 1 1 8  3  -20 o 187.1376 6.095475 721.0000       46.64589 0.000000       0.000000 721.0000       46.64589 ?        ?        187.1376 6.095475 ?              ?        
1 1 1 8  3  -19 o 151.6380 5.030674 472.5371       31.19299 410.3000       51.49952 508.6000       39.20208 140.6898 8.986538 157.1887 6.102238 -16.49886      10.86256 
1 1 1 8  3  -18 o 429.7825 6.002006 3794.335       105.6257 3799.000       152.1952 3790.000       146.7103 429.2772 8.658422 428.8702 8.354303 0.4069214      12.03174 
1 1 1 8  3  -17 o 200.8609 6.919530 830.2000       56.82603 830.2000       56.82603 0.000000       0.000000 200.8609 6.919530 ?        ?        ?              ?        
1 1 1 8  3  -16 o 251.5693 6.750749 1301.000       69.47704 1301.000       69.47704 0.000000       0.000000 251.5693 6.750749 ?        ?        ?              ?        
1 1 1 8  3  -15 o 316.2172 7.134055 2054.000       92.37328 2054.000       92.37328 0.000000       0.000000 316.2172 7.134055 ?        ?        ?              ?        
1 1 1 8  3  -14 o 266.5283 6.622036 1458.000       72.27022 1458.000       72.27022 0.000000       0.000000 266.5283 6.622036 ?        ?        ?              ?        
1 1 1 8  3  -13 o 458.7773 6.181765 4317.390       116.1285 4465.000       169.9140 4188.000       159.0816 466.0804 8.903156 451.4498 8.605700 14.63065       12.38242 
1 1 1 8  3  -12 o 354.9700 5.135755 2582.715       74.64838 2782.000       112.7117 2427.000       99.63168 368.1741 7.476380 343.9258 7.074705 24.24832       10.29309 
1 1 1 8  3  -11 o 360.8650 5.175645 2668.921       76.47749 2781.000       112.6181 2573.000       104.1845 368.1569 7.470523 354.1503 7.184413 14.00659       10.36458 
1 1 1 8  3  -10 o 491.8231 6.496450 4959.792       130.8306 5107.000       190.3565 4828.000       180.1130 498.6729 9.322397 484.8998 9.071282 13.77307       13.00751 
1 1 1 8  3  -9  o 449.2383 6.028347 4136.823       110.8918 4076.000       155.3569 4200.000       158.3348 445.6590 8.513411 452.3828 8.547632 -6.723785      12.06400 
1 1 1 8  3  -8  o 523.8163 6.830364 5625.735       146.5033 5503.000       203.4206 5758.000       211.1705 517.7073 9.595910 529.5438 9.738834 -11.83643      13.67210 
1 1 1 8  3  -7  o 96.15788 4.454668 189.8235       17.49214 195.3000       26.68977 185.7000       23.15940 97.37085 6.735599 94.99934 5.984040 2.371513       9.009830 
1 1 1 8  3  -6  o 304.1459 4.594659 1895.070       57.22155 1800.000       78.64762 2002.000       83.40910 296.3285 6.481682 312.5117 6.518126 -16.18317      9.192288 
1 1 1 8  3  -5  o 195.3327 3.834013 781.4972       30.66571 739.8000       43.18707 823.9000       43.55094 189.9250 5.559231 200.4530 5.310596 -10.52797      7.688139 
1 1 1 8  3  -4  o 209.9707 3.873294 903.0241       33.30148 947.8000       49.35413 865.6000       45.12087 214.9894 5.611170 205.4630 5.367740 9.526367       7.765170 
1 1 1 8  3  -3  o 247.1173 4.092883 1250.861       41.41493 1283.000       60.20955 1222.000       57.05667 250.2082 5.876781 244.1946 5.706186 6.013580       8.191282 
1 1 1 8  3  -2  o 215.2473 3.875293 948.9811       34.15597 960.4000       49.49632 938.6000       47.19359 216.4159 5.590145 213.9557 5.391141 2.460144       7.766217 
1 1 1 8  3  -1  f 134.2329 3.765806 369.3442       20.67816 354.2000       30.51693 382.2000       28.11695 131.3467 5.687585 136.4879 5.039602 -5.141174      7.599093 
1 1 1 8  3  0   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  3  1   f 112.3199 3.923701 258.7196       18.01812 234.2000       26.77999 279.0000       24.35519 106.7188 6.154479 116.5802 5.114470 -9.861389      8.002213 
1 1 1 8  3  2   o 374.4368 4.236728 2871.944       64.95814 2893.286       80.11890 2831.000       110.9708 375.7760 5.206928 371.5697 7.293633 4.206268       8.961539 
1 1 1 8  3  3   o 389.3325 4.360258 3105.075       69.51159 3128.575       85.73798 3060.000       118.7420 390.7488 5.358599 386.2899 7.507001 4.458832       9.223321 
1 1 1 8  3  4   o 558.7202 5.857093 6397.522       133.9988 6446.827       165.2931 6303.000       228.8629 560.7278 7.199101 554.0402 10.08811 6.687622       12.39342 
1 1 1 8  3  5   o 427.0398 4.683284 3735.977       81.89233 3761.346       100.8965 3687.000       140.1911 428.4188 5.751525 423.9685 8.075369 4.450317       9.914213 
1 1 1 8  3  6   o 480.0011 5.147727 4720.781       101.1771 4762.716       124.9700 4641.000       172.3728 482.0329 6.331469 475.5690 8.851783 6.463959       10.88309 
1 1 1 8  3  7   o 150.9925 2.906178 466.8900       17.96809 466.1526       22.17418 468.3000       30.66264 150.8633 3.589547 151.1027 4.962523 -0.2393951     6.124661 
1 1 1 8  3  8   o 147.0555 2.938026 442.8664       17.69136 459.2754       22.21258 414.4000       29.25665 149.7446 3.622625 142.1250 5.035194 7.619553       6.202950 
1 1 1 8  3  9   o 420.3753 4.629206 3620.552       79.68344 3668.167       98.81081 3532.000       134.7512 423.0533 5.704072 414.9198 7.931296 8.133423       9.769437 
1 1 1 8  3  10  o 316.3841 4.613750 2050.937       59.77135 2058.000       84.91603 2044.000       84.14812 316.8071 6.545916 315.7304 6.508841 1.076721       9.231144 
1 1 1 8  3  11  o 365.4173 5.095473 2736.594       76.24265 2759.000       108.8314 2715.000       106.8429 366.7211 7.247592 363.7928 7.172444 2.928284       10.19664 
1 1 1 8  3  12  o 434.8693 5.819275 3877.502       103.6220 3919.000       148.3823 3838.000       144.7717 436.8583 8.295014 432.3382 8.177786 4.520050       11.64832 
1 1 1 8  3  13  o 283.4107 4.378869 1646.039       50.81625 1645.000       73.30092 1647.000       70.51035 283.1754 6.321637 283.3688 6.076822 -0.1934204     8.768743 
1 1 1 8  3  14  o 131.1403 3.700071 352.6533       19.84890 374.2000       30.01134 335.9000       26.46340 134.9710 5.441412 127.8953 5.063207 7.075699       7.432700 
1 1 1 8  3  15  o 103.7553 4.584175 221.1315       19.42774 221.1315       19.42774 0.000000       0.000000 103.7553 4.584175 ?        ?        ?              ?        
1 1 1 8  3  16  o 63.30755 6.485311 83.16380       16.57430 83.16380       16.57430 0.000000       0.000000 63.30755 6.485311 ?        ?        ?              ?        
1 1 1 8  3  17  o 362.2245 5.156222 2692.087       76.47753 2692.087       76.47753 0.000000       0.000000 362.2245 5.156222 ?        ?        ?              ?        
1 1 1 8  3  18  o 140.5207 3.230901 404.6631       18.59038 395.1060       24.39530 417.9000       28.71008 138.7336 4.299566 142.6252 4.923402 -3.891632      6.536525 
1 1 1 8  3  19  o 64.41482 5.013163 85.68562       13.11872 78.29523       19.47920 91.82000       17.74689 61.13127 7.971562 66.49400 6.605253 -5.362724      10.35254 
1 1 1 8  3  20  o 161.8440 3.268175 536.9742       21.65840 515.8287       28.47490 566.0000       33.36142 158.4818 4.392152 165.9523 4.914912 -7.470459      6.591461 
1 1 1 8  3  21  o 41.38410 7.771586 36.50323       12.68597 17.95132       20.17760 48.63000       16.31352 32.29138 11.76548 47.75978 8.660661 -15.46840      14.60937 
1 1 1 8  3  22  o 87.62283 6.203874 159.0523       22.11502 159.0523       22.11502 0.000000       0.000000 87.62283 6.203874 ?        ?        ?              ?        
1 1 1 8  3  23  o 122.0478 7.267620 309.6000       36.15558 309.6000       36.15558 0.000000       0.000000 122.0478 7.267620 ?        ?        ?              ?        
1 1 1 8  3  24  o 260.2922 6.288957 1402.000       67.02922 1402.000       67.02922 0.000000       0.000000 260.2922 6.288957 ?        ?        ?              ?        
1 1 1 8  3  25  o 138.6591 4.369430 396.5080       24.77736 396.5080       24.77736 0.000000       0.000000 138.6591 4.369430 ?        ?        ?              ?        
1 1 1 8  3  26  o 74.29670 9.754149 119.1000       28.95846 119.1000       28.95846 0.000000       0.000000 74.29670 9.754149 ?        ?        ?              ?        
1 1 1 8  3  27  o 63.57019 7.759523 86.30454       19.78012 86.30454       19.78012 0.000000       0.000000 63.57019 7.759523 ?        ?        ?              ?        
1 1 1 8  3  28  o 19.42810 9.031477 -13.72449      17.34376 -13.72449      17.34376 0.000000       0.000000 19.42810 9.031477 ?        ?        ?              ?        
1 1 1 8  3  29  o 37.08026 10.54670 31.32210       16.77247 31.32210       16.77247 0.000000       0.000000 37.08026 10.54670 ?        ?        ?              ?        
1 1 1 8  3  30  o 85.15082 4.071779 150.9179       14.15589 134.6863       18.15361 176.1000       22.61148 79.85062 5.587397 91.09638 6.096928 -11.24576      8.269917 
1 1 1 8  3  31  o 37.69134 7.863586 31.90588       11.74317 45.47321       15.82942 15.30000       17.51253 44.67701 8.964810 28.50471 10.84631 16.17229       14.07162 
1 1 1 8  3  32  o 47.21105 6.036531 48.30720       11.40297 46.79497       14.23061 51.02000       19.06008 45.59349 7.909088 46.29922 10.31765 -0.7057266     13.00029 
1 1 1 8  3  33  o 55.80645 5.155915 66.63493       11.64873 65.18652       14.36180 69.42000       19.91507 54.47849 6.570669 54.54882 9.245916 -0.7033157E-01 11.34287 
1 1 1 8  3  34  o 34.54855 7.947159 27.91115       11.00823 26.04034       13.31067 31.96000       19.58174 32.73120 9.423081 35.23399 11.66148 -2.502785      14.99282 
1 1 1 8  3  35  o 18.21939 8.558227 -11.05721      16.25414 -14.33000      24.71290 -8.562000      21.57831 22.00721 10.40318 21.65339 10.06863 0.3538227      14.47768 
1 1 1 8  3  36  o 45.93911 6.234551 47.47661       11.42529 45.34060       12.93093 55.08000       24.39674 44.08692 7.426680 43.46883 12.82734 0.6180878      14.82216 
1 1 1 8  3  37  o 23.16953 8.354816 11.88900       10.14014 15.76998       11.24346 -5.025000      23.47212 25.76275 8.837195 22.92293 10.60419 2.839823       13.80380 
1 1 1 8  3  38  o 54.94363 4.952622 65.94391       11.02287 66.50326       12.26782 63.60000       25.11282 54.74928 5.548772 46.08706 12.83451 8.662212       13.98261 
1 1 1 8  3  39  o 20.04081 9.285706 -4.347101      18.10514 -12.22000      27.55359 1.635000       24.01805 22.28141 10.65958 23.58146 10.84324 -1.300047      15.20534 
1 1 1 8  4  -39 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  4  -38 o 32.55287 9.423756 28.10398       13.27833 36.33816       15.35806 3.727000       26.42509 36.62140 9.974178 24.81285 11.39629 11.80856       15.14463 
1 1 1 8  4  -37 o 33.10764 9.205119 27.94193       12.92932 23.12612       15.00031 41.86000       25.50085 29.82289 10.20807 36.77604 13.25084 -6.953150      16.72691 
1 1 1 8  4  -36 o 36.24292 8.713231 32.36271       12.77081 38.88511       14.90800 14.38000       24.75386 39.30687 9.391244 27.99949 12.02175 11.30738       15.25510 
1 1 1 8  4  -35 o 22.00437 8.791312 8.544116       11.96664 16.66540       13.89083 -14.83000      23.56587 26.63771 9.753168 21.19706 10.06089 5.440645       14.01234 
1 1 1 8  4  -34 o 41.63581 7.329933 40.00401       12.04037 34.48910       13.91346 56.45000       24.02679 37.45170 9.151751 45.02193 12.55986 -7.570225      15.54042 
1 1 1 8  4  -33 f 37.99357 7.413419 33.07236       11.11907 36.32698       12.86786 23.48000       22.09115 39.40386 8.240654 31.69670 12.15218 7.707155       14.68278 
1 1 1 8  4  -32 o 22.33373 8.855590 7.762932       12.05299 19.79000       13.99172 -26.84000      23.73272 29.36478 9.860718 20.20641 9.725671 9.158369       13.85000 
1 1 1 8  4  -31 o 37.24324 8.193279 31.68937       12.15475 36.03000       14.46871 21.28000       22.40605 39.33097 9.155975 31.94816 12.24103 7.382811       15.28642 
1 1 1 8  4  -30 o 47.25231 6.292593 48.28535       11.87285 58.54000       14.19631 24.42000       21.65704 51.85822 6.853077 33.48294 12.19076 18.37528       13.98496 
1 1 1 8  4  -29 o 25.78078 8.484768 14.11004       10.37116 10.31134       11.88117 26.27000       21.25732 24.03615 8.979937 34.57843 12.13505 -10.54228      15.09632 
1 1 1 8  4  -28 o 117.7398 3.470030 286.5672       16.71116 264.1529       20.03597 337.8000       30.29158 112.7276 4.348816 126.7417 5.852641 -14.01409      7.291475 
1 1 1 8  4  -27 o 122.2231 5.204823 311.4393       25.98893 266.3000       46.93435 331.4000       31.21056 109.9673 10.55260 125.6769 6.082939 -15.70957      12.18029 
1 1 1 8  4  -26 o 109.0044 5.577004 247.6945       24.80980 208.0000       47.14222 262.9000       29.17723 96.65729 12.18102 112.0000 6.388617 -15.34267      13.75469 
1 1 1 8  4  -25 o 178.2708 4.698845 657.1007       34.27021 668.8000       58.85759 651.1000       42.15252 178.1525 8.089485 176.9901 5.824275 1.162354       9.968046 
1 1 1 8  4  -24 o 67.05102 8.293097 95.55978       22.28428 82.45000       45.91220 99.60000       25.48784 59.52357 17.60511 68.13565 9.384530 -8.612076      19.95017 
1 1 1 8  4  -23 o 127.1246 3.629908 332.3849       18.87577 339.7598       23.24302 318.1000       32.34857 128.3860 4.427934 123.7618 6.405075 4.624184       7.786629 
1 1 1 8  4  -22 f 41.80081 7.782993 37.41327       12.83150 42.62331       15.01428 23.30000       24.71141 44.52617 8.545696 35.90361 13.02939 8.622566       15.58185 
1 1 1 8  4  -21 o 149.7792 3.520247 460.4184       21.58982 460.4775       26.43449 460.3000       37.41597 149.6355 4.318833 149.2683 6.134672 0.3672028      7.502434 
1 1 1 8  4  -20 o 28.28824 9.520988 15.58477       13.04379 23.22198       15.12664 -6.561000      25.75848 33.32572 10.16253 27.08994 11.93560 6.235777       15.67596 
1 1 1 8  4  -19 o 296.5602 4.945322 1806.544       60.05259 1730.000       87.74081 1874.000       82.36797 289.5266 7.407054 301.6411 6.668734 -12.11456      9.966768 
1 1 1 8  4  -18 o 113.1890 4.148111 263.1695       19.19305 284.8000       24.41785 228.2000       31.04694 117.6610 5.080130 105.0121 7.265080 12.64894       8.865050 
1 1 1 8  4  -17 o 58.64426 5.764773 71.32323       13.66433 77.13085       16.25612 57.34000       25.22444 60.88882 6.626902 51.52496 12.15404 9.363861       13.84328 
1 1 1 8  4  -16 o 221.8551 3.971663 1009.138       36.07997 1060.000       50.04732 954.1000       52.06185 227.2426 5.378569 215.4547 5.906759 11.78789       7.988667 
1 1 1 8  4  -15 o 122.3408 3.910767 307.1227       19.56588 325.0000       25.35395 280.8000       30.76514 125.7735 4.932592 116.7395 6.461209 9.033936       8.128818 
1 1 1 8  4  -14 o 138.3805 3.762803 392.7518       21.30136 420.2000       28.17014 356.1000       32.55211 143.0587 4.815814 131.5663 6.058672 11.49240       7.739481 
1 1 1 8  4  -13 o 401.3018 4.538368 3301.645       74.57533 3286.197       91.11206 3333.000       129.8080 400.2250 5.559648 402.6505 7.873155 -2.425476      9.638270 
1 1 1 8  4  -12 o 296.9804 3.748596 1807.217       45.58488 1833.147       56.32717 1758.000       77.60281 299.0405 4.600060 292.6678 6.475572 6.372742       7.943147 
1 1 1 8  4  -11 f 243.6574 4.194840 1216.634       41.85230 1216.634       41.85230 0.000000       0.000000 243.6574 4.194840 ?        ?        ?              ?        
1 1 1 8  4  -10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  4  -9  o 281.7430 4.407889 1626.526       50.85201 1626.526       50.85201 0.000000       0.000000 281.7430 4.407889 ?        ?        ?              ?        
1 1 1 8  4  -8  o 105.8733 3.739633 229.9051       16.18666 211.0000       20.96610 257.8000       25.46774 101.3402 5.068648 112.0063 5.570424 -10.66611      7.531322 
1 1 1 8  4  -7  o 151.3705 3.043468 469.2729       18.86403 471.1316       23.15025 465.6000       32.54278 151.6570 3.727938 150.6327 5.284259 1.024261       6.466909 
1 1 1 8  4  -6  o 159.3515 3.027873 520.0508       19.75688 529.3712       24.32857 502.0000       33.85702 160.7606 3.695835 156.4209 5.293655 4.339661       6.456159 
1 1 1 8  4  -5  o 265.4344 3.450959 1443.053       37.50779 1439.593       45.90713 1450.000       65.05147 265.0895 4.229249 265.9667 5.973178 -0.8771973     7.318839 
1 1 1 8  4  -4  f 245.4494 3.324514 1233.880       33.41292 1210.303       40.51646 1284.000       59.07451 243.0715 4.070737 250.2955 5.763983 -7.223999      7.056514 
1 1 1 8  4  -3  o 212.2211 3.765854 922.4965       32.72475 943.2000       46.06384 901.4000       46.49879 214.5445 5.243466 209.6605 5.420821 4.883942       7.541832 
1 1 1 8  4  -2  o 460.7603 4.993156 4349.910       94.20514 4326.910       114.9310 4397.000       164.4527 459.4523 6.109032 462.8864 8.676451 -3.434082      10.61137 
1 1 1 8  4  -1  o 157.6770 3.751571 509.2359       24.22178 510.2000       35.54410 508.4000       33.09627 157.6906 5.513226 157.4340 5.140896 0.2566223      7.538200 
1 1 1 8  4  0   o 364.5260 4.169547 2721.962       62.23602 2745.909       76.75582 2676.000       106.3355 366.0766 5.120531 361.2462 7.188702 4.830444       8.825943 
1 1 1 8  4  1   o 154.5431 2.995705 489.1180       18.95715 477.0991       23.14733 513.6000       33.03648 152.6215 3.703914 158.2400 5.105307 -5.618515      6.307388 
1 1 1 8  4  2   o 536.0362 5.657322 5888.623       124.1736 5801.296       150.0976 6078.000       221.0358 531.9190 6.891340 544.0274 9.922416 -12.10840      12.08077 
1 1 1 8  4  3   o 507.6322 5.406387 5280.696       112.3778 5241.433       136.8479 5362.000       196.9269 505.6269 6.609726 511.0498 9.410604 -5.422943      11.49991 
1 1 1 8  4  4   f 734.7098 7.513258 11071.72       226.0313 10928.21       273.6299 11380.00       401.0486 729.6110 9.158995 743.4697 13.17375 -13.85870      16.04478 
1 1 1 8  4  5   o 157.8607 3.023570 510.3590       19.54423 493.5289       23.97487 543.7000       33.74441 155.2228 3.772040 162.8118 5.067814 -7.589005      6.317517 
1 1 1 8  4  6   o 198.9655 3.100657 810.7659       25.26131 803.4943       31.16323 824.7000       43.13877 198.0535 3.842692 200.5362 5.258058 -2.482788      6.512561 
1 1 1 8  4  7   o 353.1365 4.982665 2555.511       72.04913 2553.000       102.1275 2558.000       101.6598 352.7993 7.069531 353.1482 7.030204 -0.3488770     9.970057 
1 1 1 8  4  8   o 288.6704 3.599791 1706.956       42.55043 1713.765       52.55500 1694.000       72.49635 289.2068 4.437936 287.4302 6.159696 1.776611       7.591912 
1 1 1 8  4  9   o 337.1119 3.950942 2328.264       54.53798 2298.346       66.45142 2390.000       95.45776 334.8827 4.846042 341.3259 6.829952 -6.443237      8.374507 
1 1 1 8  4  10  o 22.03208 8.339463 7.076334       10.32000 17.73445       13.95001 -5.808000      15.33788 30.00636 9.838582 20.50836 9.114109 9.497999       13.41136 
1 1 1 8  4  11  f 351.0008 4.068867 2524.603       58.47982 2511.401       71.62538 2551.000       101.2829 350.0036 4.997698 352.5251 7.016518 -2.521545      8.614436 
1 1 1 8  4  12  o 200.3387 3.132571 822.1971       25.69746 813.3643       31.87406 838.6000       43.43591 199.2276 3.907180 202.1534 5.251841 -2.925735      6.545830 
1 1 1 8  4  13  o 393.1873 4.423412 3169.257       71.21661 3147.411       87.20526 3213.000       123.3987 391.7000 5.437067 395.3865 7.621920 -3.686493      9.362444 
1 1 1 8  4  14  o 233.4409 3.308900 1116.605       31.62896 1080.273       38.85205 1188.000       54.46297 229.5597 4.133272 240.6141 5.527845 -11.05446      6.902246 
1 1 1 8  4  15  o 167.2103 3.155755 572.8851       21.60681 587.1376       28.10847 552.3000       33.78085 169.2333 4.056271 164.0005 5.036353 5.232864       6.466698 
1 1 1 8  4  16  o 136.3582 3.880397 381.5018       21.64412 413.6000       34.87852 361.4000       27.60163 141.7741 6.021809 132.6087 5.092680 9.165421       7.886544 
1 1 1 8  4  17  o 178.3364 5.116632 653.4000       37.32497 0.000000       0.000000 653.4000       37.32497 ?        ?        178.3364 5.116632 ?              ?        
1 1 1 8  4  18  o 61.54960 7.522215 79.20000       18.56465 0.000000       0.000000 79.20000       18.56465 ?        ?        61.54960 7.522215 ?              ?        
1 1 1 8  4  19  o 272.6843 6.494342 1531.000       72.51364 1531.000       72.51364 0.000000       0.000000 272.6843 6.494342 ?        ?        ?              ?        
1 1 1 8  4  20  o 35.94961 11.71318 26.20168       19.78705 26.20168       19.78705 0.000000       0.000000 35.94961 11.71318 ?        ?        ?              ?        
1 1 1 8  4  21  o 25.67803 10.84376 1.723461       19.56485 1.723461       19.56485 0.000000       0.000000 25.67803 10.84376 ?        ?        ?              ?        
1 1 1 8  4  22  f 125.3478 4.894033 324.0088       25.07105 324.0088       25.07105 0.000000       0.000000 125.3478 4.894033 ?        ?        ?              ?        
1 1 1 8  4  23  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  4  24  o 167.5805 4.322290 579.0737       29.63461 579.0737       29.63461 0.000000       0.000000 167.5805 4.322290 ?        ?        ?              ?        
1 1 1 8  4  25  o 163.9675 4.296468 555.0532       28.82168 555.0532       28.82168 0.000000       0.000000 163.9675 4.296468 ?        ?        ?              ?        
1 1 1 8  4  26  o 63.06372 7.786117 85.04970       19.67944 85.04970       19.67944 0.000000       0.000000 63.06372 7.786117 ?        ?        ?              ?        
1 1 1 8  4  27  o 73.56810 6.501432 114.4775       19.38361 114.4775       19.38361 0.000000       0.000000 73.56810 6.501432 ?        ?        ?              ?        
1 1 1 8  4  28  o 25.49029 10.46619 6.807754       17.49825 6.807754       17.49825 0.000000       0.000000 25.49029 10.46619 ?        ?        ?              ?        
1 1 1 8  4  29  o 58.47802 7.506965 74.45248       17.56141 74.45248       17.56141 0.000000       0.000000 58.47802 7.506965 ?        ?        ?              ?        
1 1 1 8  4  30  o 32.01872 9.422639 23.47722       13.17954 23.47722       13.17954 0.000000       0.000000 32.01872 9.422639 ?        ?        ?              ?        
1 1 1 8  4  31  o 25.55661 10.03401 11.03687       15.33756 11.03687       15.33756 0.000000       0.000000 25.55661 10.03401 ?        ?        ?              ?        
1 1 1 8  4  32  o 23.97446 9.598627 8.966311       14.29603 8.966311       14.29603 0.000000       0.000000 23.97446 9.598627 ?        ?        ?              ?        
1 1 1 8  4  33  f 17.57817 8.059711 -6.152229      13.14031 -6.152229      13.14031 0.000000       0.000000 17.57817 8.059711 ?        ?        ?              ?        
1 1 1 8  4  34  o 51.65826 6.895690 60.43409       14.22221 60.43409       14.22221 0.000000       0.000000 51.65826 6.895690 ?        ?        ?              ?        
1 1 1 8  4  35  o 19.46589 8.524061 1.206680       12.95557 1.206680       12.95557 0.000000       0.000000 19.46589 8.524061 ?        ?        ?              ?        
1 1 1 8  4  36  o 22.81023 9.159494 9.389479       13.05797 9.389479       13.05797 0.000000       0.000000 22.81023 9.159494 ?        ?        ?              ?        
1 1 1 8  4  37  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  4  38  o 33.62812 13.54166 37.85000       28.62790 37.85000       28.62790 0.000000       0.000000 33.62812 13.54166 ?        ?        ?              ?        
1 1 1 8  4  39  o 37.41103 11.82918 43.50779       20.28889 7.131000       29.45943 76.33000       27.98312 25.64141 11.86814 47.46673 13.66207 -21.82531      18.09709 
1 1 1 8  5  -38 o 21.58440 9.061348 7.916901       13.53393 14.88659       15.69238 -12.32000      26.73956 24.99981 10.04023 21.76292 10.43534 3.236895       14.48111 
1 1 1 8  5  -37 o 21.08313 8.934887 6.163736       13.36086 -2.415348      15.48723 31.13000       26.41984 19.33321 8.820993 31.84391 12.94165 -12.51070      15.66193 
1 1 1 8  5  -36 o 27.33679 9.604095 18.47871       13.31737 20.97671       15.62004 11.83000       25.48325 28.72696 10.36805 27.18270 11.92759 1.544254       15.80392 
1 1 1 8  5  -35 o 78.80712 7.297677 142.8000       23.28166 142.8000       23.28166 0.000000       0.000000 78.80712 7.297677 ?        ?        ?              ?        
1 1 1 8  5  -34 o 24.01202 10.46315 5.877000       19.31283 5.877000       19.31283 0.000000       0.000000 24.01202 10.46315 ?        ?        ?              ?        
1 1 1 8  5  -33 o 25.93247 10.07250 14.06689       15.32049 14.06689       15.32049 0.000000       0.000000 25.93247 10.07250 ?        ?        ?              ?        
1 1 1 8  5  -32 o 30.70611 12.86656 17.73000       27.20883 17.73000       27.20883 0.000000       0.000000 30.70611 12.86656 ?        ?        ?              ?        
1 1 1 8  5  -31 o 25.34928 10.33206 9.623928       16.89745 11.21000       28.11453 8.727000       21.14210 29.83146 12.81014 26.74218 11.28168 3.089281       17.06974 
1 1 1 8  5  -30 o 27.24613 10.60120 13.54160       16.99409 -27.79000      29.32987 34.43000       20.85075 23.06047 11.02293 37.43275 12.00958 -14.37228      16.30138 
1 1 1 8  5  -29 o 40.60334 7.184535 36.47176       11.50798 38.36694       14.07503 32.65000       19.98737 41.05038 8.647010 37.01454 11.74556 4.035843       14.58523 
1 1 1 8  5  -28 o 23.53806 8.663950 10.20740       10.98461 9.444837       13.33117 11.82000       19.38620 24.26340 9.403664 28.00524 11.18932 -3.741840      14.61608 
1 1 1 8  5  -27 o 69.67583 4.626187 101.4520       13.12391 106.4199       16.20706 91.99000       22.36695 71.03285 5.617831 64.71878 8.657118 6.314072       10.32016 
1 1 1 8  5  -26 o 60.65884 5.155172 77.13212       12.68329 97.84461       15.72839 38.62000       21.44702 68.20896 5.683015 41.02304 12.00582 27.18592       13.28294 
1 1 1 8  5  -25 o 109.1145 3.643284 245.7590       16.25513 238.2079       20.08378 260.1000       27.67753 107.1677 4.587362 111.4552 6.087716 -4.287529      7.622610 
1 1 1 8  5  -24 o 102.6018 3.815301 217.2290       16.00115 211.4478       19.77262 228.2000       27.23819 100.9962 4.794867 104.4347 6.400295 -3.438446      7.997158 
1 1 1 8  5  -23 o 109.8517 3.789074 248.6996       17.01820 245.1883       21.17800 255.1000       28.59250 108.8650 4.762383 110.6103 6.339499 -1.745308      7.929032 
1 1 1 8  5  -22 o 15.81450 7.390453 -11.26282      11.86041 -13.38639      14.23315 -6.438000      21.45403 17.32398 8.095917 24.27912 10.78514 -6.955139      13.48566 
1 1 1 8  5  -21 o 51.45975 6.596491 55.70395       13.58043 50.20074       16.40875 67.67000       24.19595 48.36139 8.601386 55.70713 10.99787 -7.345745      13.96199 
1 1 1 8  5  -20 o 53.31876 6.531453 59.60608       13.96238 63.37669       16.84539 51.33000       24.95671 54.75879 7.727367 48.34132 12.51201 6.417473       14.70587 
1 1 1 8  5  -19 o 95.52132 4.218792 187.7841       16.46039 198.8703       20.06939 165.0000       28.77118 98.20382 5.007458 88.90462 7.988392 9.299202       9.428099 
1 1 1 8  5  -18 o 47.29903 7.621300 47.35324       14.25915 50.67147       17.16330 39.96000       25.61917 48.70906 8.934457 43.43597 13.22153 5.273094       15.95723 
1 1 1 8  5  -17 o 141.7488 3.587515 412.3344       20.80599 413.0866       25.68900 410.9000       35.47226 141.7913 4.430027 141.1824 6.150737 0.6088715      7.580020 
1 1 1 8  5  -16 o 71.22566 5.188724 104.7319       15.02908 108.0339       17.92962 96.93000       27.55999 72.23099 6.119639 67.66295 10.26942 4.568039       11.95454 
1 1 1 8  5  -15 o 94.16380 4.626695 182.3709       17.78474 174.2000       22.40179 196.3000       29.24877 91.87990 5.987004 97.36989 7.391200 -5.489990      9.511785 
1 1 1 8  5  -14 o 300.5039 3.828959 1851.331       47.11457 1782.924       56.36299 2010.000       85.84052 294.8025 4.669156 312.6790 6.704544 -17.87643      8.170185 
1 1 1 8  5  -13 o 195.2895 3.872519 781.8052       30.96684 785.2000       41.85633 777.7000       46.02771 195.5422 5.232229 194.5405 5.784525 1.001740       7.799805 
1 1 1 8  5  -12 o 208.1844 3.312984 888.1000       28.24176 875.1790       34.34088 915.1000       49.64128 206.6201 4.058956 211.0663 5.749157 -4.446198      7.037608 
1 1 1 8  5  -11 o 174.2431 3.267370 622.0710       23.31194 604.7947       28.23114 659.1000       41.33086 171.7729 4.013741 179.1294 5.641895 -7.356522      6.923951 
1 1 1 8  5  -10 o 153.0357 3.741979 479.9353       23.44869 481.7000       31.36771 477.7000       35.30289 153.1793 5.007749 152.4833 5.663947 0.6959991      7.560281 
1 1 1 8  5  -9  o 221.2285 3.937161 1002.969       35.66554 1027.000       49.67467 977.4000       51.23909 223.7685 5.421403 218.1995 5.739851 5.569000       7.895410 
1 1 1 8  5  -8  o 235.8782 4.017842 1140.144       38.80655 1192.000       55.07153 1089.000       54.69194 241.0824 5.578755 230.3422 5.803251 10.74013       8.049859 
1 1 1 8  5  -7  o 88.74558 3.810598 161.6640       13.81501 160.8315       16.96973 163.3000       23.78910 88.45632 4.702023 88.96819 6.576579 -0.5118713     8.084578 
1 1 1 8  5  -6  o 40.46028 7.055335 34.56896       11.26404 27.18912       13.59474 50.73000       20.11787 35.70347 9.231370 48.73278 10.39876 -13.02931      13.90512 
1 1 1 8  5  -5  o 533.2510 6.940261 5834.716       151.5416 5834.716       151.5416 0.000000       0.000000 533.2510 6.940261 ?        ?        ?              ?        
1 1 1 8  5  -4  o 465.7639 6.204050 4448.996       118.3220 4448.996       118.3220 0.000000       0.000000 465.7639 6.204050 ?        ?        ?              ?        
1 1 1 8  5  -3  o 191.0562 3.857352 747.8087       30.17691 747.8087       30.17691 0.000000       0.000000 191.0562 3.857352 ?        ?        ?              ?        
1 1 1 8  5  -2  o 272.4635 3.526090 1520.672       39.33925 1523.584       48.39500 1515.000       67.54292 272.6882 4.334208 271.8170 6.068463 0.8711853      7.457319 
1 1 1 8  5  -1  o 256.9171 4.147025 1352.339       43.62686 1340.000       61.30455 1365.000       62.09850 255.6530 5.856222 258.0255 5.877520 -2.372498      8.297022 
1 1 1 8  5  0   o 482.8214 5.194416 4777.963       102.6946 4772.439       125.7946 4789.000       177.8158 482.4094 6.368278 482.8511 8.993580 -0.4416809     11.01996 
1 1 1 8  5  1   o 149.7073 3.080464 459.0383       18.88354 460.1199       23.57052 457.1000       31.55343 149.8181 3.845382 149.2490 5.170912 0.5690613      6.444013 
1 1 1 8  5  2   o 244.5491 3.344553 1224.979       33.49103 1227.065       41.34842 1221.000       57.10616 244.7275 4.126214 244.0427 5.714692 0.6848297      7.048641 
1 1 1 8  5  3   o 312.6506 3.795797 2002.526       48.59444 2027.671       60.31284 1956.000       82.04156 314.5573 4.682585 308.8161 6.487980 5.741119       8.001280 
1 1 1 8  5  4   o 266.2268 4.287339 1452.277       46.73734 1519.000       67.26580 1390.000       64.98627 272.1656 6.035824 260.3484 6.095964 11.81729       8.578575 
1 1 1 8  5  5   o 318.9156 3.837966 2083.725       50.11887 2074.558       61.41662 2102.000       86.71308 318.1585 4.714309 320.0973 6.615736 -1.938843      8.123588 
1 1 1 8  5  6   o 140.8250 3.111266 406.2170       17.94078 409.5293       22.62032 400.6000       29.45667 141.3247 3.912682 139.6958 5.158486 1.628876       6.474493 
1 1 1 8  5  7   o 221.5869 3.235709 1005.817       29.35878 1003.078       36.29465 1011.000       49.93460 221.2531 4.006166 222.0437 5.492105 -0.7906342     6.797983 
1 1 1 8  5  8   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  5  9   o 156.3865 3.781169 501.1545       24.21306 456.7000       35.17234 541.2000       33.38261 149.0920 5.772233 162.3829 5.026653 -13.29089      7.654144 
1 1 1 8  5  10  o 237.9910 4.050883 1160.880       39.47614 1252.000       59.68005 1090.000       52.63641 247.0043 5.900655 230.4989 5.576900 16.50537       8.119085 
1 1 1 8  5  11  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8  5  12  o 19.89136 8.326592 1.302232       11.37781 -16.92153      16.43880 18.06000       15.76373 18.43497 8.642694 30.77576 10.46612 -12.34079      13.57335 
1 1 1 8  5  13  o 154.5303 3.225055 489.3284       20.40681 473.3423       26.17595 514.1000       32.58437 151.8802 4.213052 158.2146 5.036071 -6.334457      6.565959 
1 1 1 8  5  14  o 163.1531 3.847598 545.7328       25.70452 565.7000       39.76411 531.4000       33.68974 165.8583 5.864267 160.8304 5.122231 5.027817       7.786326 
1 1 1 8  5  15  o 151.8004 3.279423 472.3024       20.38426 497.9045       27.09246 438.9000       30.94568 155.7442 4.252248 146.1227 5.180190 9.621582       6.701939 
1 1 1 8  5  16  o 130.2599 4.658552 348.6944       24.80768 348.6944       24.80768 0.000000       0.000000 130.2599 4.658552 ?        ?        ?              ?        
1 1 1 8  5  17  o 188.4791 4.279512 729.0768       33.02797 729.0768       33.02797 0.000000       0.000000 188.4791 4.279512 ?        ?        ?              ?        
1 1 1 8  5  18  o 125.4148 4.974141 323.7661       25.49348 323.7661       25.49348 0.000000       0.000000 125.4148 4.974141 ?        ?        ?              ?        
1 1 1 8  5  19  o 124.0885 4.951820 317.1779       25.11007 317.1779       25.11007 0.000000       0.000000 124.0885 4.951820 ?        ?        ?              ?        
1 1 1 8  5  20  o 76.92541 6.885586 123.3737       21.45965 123.3737       21.45965 0.000000       0.000000 76.92541 6.885586 ?        ?        ?              ?        
1 1 1 8  5  21  o 69.96951 7.379231 102.7546       20.82389 102.7546       20.82389 0.000000       0.000000 69.96951 7.379231 ?        ?        ?              ?        
1 1 1 8  5  22  o 190.4799 6.456971 753.5000       50.28913 753.5000       50.28913 0.000000       0.000000 190.4799 6.456971 ?        ?        ?              ?        
1 1 1 8  5  23  o 133.5348 4.592875 368.4229       25.07590 368.4229       25.07590 0.000000       0.000000 133.5348 4.592875 ?        ?        ?              ?        
1 1 1 8  5  24  o 184.2474 6.378748 708.5000       48.05136 708.5000       48.05136 0.000000       0.000000 184.2474 6.378748 ?        ?        ?              ?        
1 1 1 8  5  25  o 32.49806 13.38442 11.51000       28.73059 11.51000       28.73059 0.000000       0.000000 32.49806 13.38442 ?        ?        ?              ?        
1 1 1 8  5  26  o 70.25114 7.046920 105.1795       19.99765 105.1795       19.99765 0.000000       0.000000 70.25114 7.046920 ?        ?        ?              ?        
1 1 1 8  5  27  o 34.01462 10.96784 25.79707       17.37538 25.79707       17.37538 0.000000       0.000000 34.01462 10.96784 ?        ?        ?              ?        
1 1 1 8  5  28  o 22.20886 9.684436 -0.5147125     16.57063 -0.5147125     16.57063 0.000000       0.000000 22.20886 9.684436 ?        ?        ?              ?        
1 1 1 8  5  29  o 22.50275 9.667170 1.888383       16.02390 1.888383       16.02390 0.000000       0.000000 22.50275 9.667170 ?        ?        ?              ?        
1 1 1 8  5  30  o 18.14646 8.379723 -8.843007      14.56267 -8.843007      14.56267 0.000000       0.000000 18.14646 8.379723 ?        ?        ?              ?        
1 1 1 8  5  31  o 93.17420 4.835349 184.0420       18.38483 184.0420       18.38483 0.000000       0.000000 93.17420 4.835349 ?        ?        ?              ?        
1 1 1 8  5  32  o 35.66196 9.582484 31.08681       14.29044 31.08681       14.29044 0.000000       0.000000 35.66196 9.582484 ?        ?        ?              ?        
1 1 1 8  5  33  o 17.70681 8.159145 -6.422449      13.70011 -6.422449      13.70011 0.000000       0.000000 17.70681 8.159145 ?        ?        ?              ?        
1 1 1 8  5  34  o 19.12853 8.040874 3.809307       10.67903 3.809307       10.67903 0.000000       0.000000 19.12853 8.040874 ?        ?        ?              ?        
1 1 1 8  5  35  o 25.20013 9.798326 13.56846       14.50961 13.56846       14.50961 0.000000       0.000000 25.20013 9.798326 ?        ?        ?              ?        
1 1 1 8  5  36  o 17.70144 8.225779 -7.182288      14.36677 -7.182288      14.36677 0.000000       0.000000 17.70144 8.225779 ?        ?        ?              ?        
1 1 1 8  5  37  o 26.16299 9.445714 17.18717       12.96582 7.702418       15.01887 44.94000       25.69081 22.33175 9.468941 36.81649 13.29553 -14.48474      16.32275 
1 1 1 8  5  38  o 25.41599 10.77474 14.25356       19.44081 22.42000       30.02596 8.359000       25.50974 28.83848 12.78758 25.11432 11.40497 3.724165       17.13463 
1 1 1 8  6  -37 o 25.09948 9.801289 15.49255       14.56827 11.60339       16.99266 26.28000       28.30044 23.99743 10.11845 29.66953 12.79764 -5.672096      16.31450 
1 1 1 8  6  -36 o 24.80815 9.685861 14.27085       14.22516 10.80677       16.68009 23.51000       27.24083 23.97588 10.06209 29.58531 12.65499 -5.609430      16.16769 
1 1 1 8  6  -35 o 23.79160 10.48838 5.345649       19.91735 -11.62000      30.24302 18.34000       26.46776 23.96508 11.38126 29.00823 12.44250 -5.043154      16.86264 
1 1 1 8  6  -34 o 46.61998 13.28569 64.61000       26.58988 0.000000       0.000000 64.61000       26.58988 ?        ?        46.61998 13.28569 ?              ?        
1 1 1 8  6  -33 o 47.08435 8.689858 53.76814       16.13675 49.78000       20.68436 59.97000       25.79398 42.61455 11.56224 45.04968 13.16145 -2.435127      17.51882 
1 1 1 8  6  -32 o 24.64092 10.45036 8.401000       18.30030 8.401000       18.30030 0.000000       0.000000 24.64092 10.45036 ?        ?        ?              ?        
1 1 1 8  6  -31 o 23.62339 9.030655 10.81467       12.17609 -6.828167      14.88337 46.52000       21.17306 18.55237 8.532573 41.99788 11.81724 -23.44551      14.57573 
1 1 1 8  6  -30 o 18.05286 8.061818 -2.669797      12.15147 7.032671       15.11191 -20.42000      20.43995 23.47170 9.690976 19.33937 9.232655 4.132324       13.38495 
1 1 1 8  6  -29 o 53.88451 7.423294 64.52714       15.94416 64.52714       15.94416 0.000000       0.000000 53.88451 7.423294 ?        ?        ?              ?        
1 1 1 8  6  -28 o 31.14287 10.35866 21.96058       15.44590 21.96058       15.44590 0.000000       0.000000 31.14287 10.35866 ?        ?        ?              ?        
1 1 1 8  6  -27 o 87.18147 5.334574 160.4038       18.95240 160.4038       18.95240 0.000000       0.000000 87.18147 5.334574 ?        ?        ?              ?        
1 1 1 8  6  -26 o 70.13486 4.824902 103.0937       13.77186 103.2153       17.56946 102.9000       22.17878 69.64783 6.226247 68.69893 8.035958 0.9489059      10.16576 
1 1 1 8  6  -25 o 71.84807 4.781056 107.8286       13.98574 104.9086       17.68745 112.7000       22.84562 70.39153 6.199787 72.28486 7.844064 -1.893333      9.998335 
1 1 1 8  6  -24 o 65.18754 5.084869 88.84029       13.46548 92.93268       17.20470 82.37000       21.63316 66.28333 6.419223 61.48448 8.847070 4.798855       10.93056 
1 1 1 8  6  -23 o 84.85321 4.261725 149.1142       14.75998 162.3825       18.88736 128.3000       23.65616 88.30244 5.247313 77.73654 7.525835 10.56590       9.174557 
1 1 1 8  6  -22 o 41.22029 7.920834 36.82691       12.88356 32.86034       16.42508 43.17000       20.77067 38.52896 10.23774 43.90913 11.43955 -5.380161      15.35170 
1 1 1 8  6  -21 o 101.5389 3.940501 212.5829       16.35246 214.9220       20.60218 208.6000       26.88325 101.8900 4.952906 99.94727 6.605847 1.942764       8.256421 
1 1 1 8  6  -20 o 171.1244 3.398971 601.6727       23.81682 598.8067       29.63504 606.9000       40.02328 170.5475 4.243613 171.2198 5.716679 -0.6722260     7.119597 
1 1 1 8  6  -19 o 243.6884 3.570602 1219.860       35.62876 1202.327       43.83306 1254.000       61.16492 241.7146 4.428682 246.3046 6.064647 -4.589996      7.509538 
1 1 1 8  6  -18 o 142.9558 3.546703 419.5788       20.76113 389.1447       25.48681 479.6000       35.79216 137.4782 4.533689 152.3876 5.746356 -14.90947      7.319490 
1 1 1 8  6  -17 o 149.1410 3.517594 456.4643       21.48163 495.4319       27.31568 393.3000       34.77733 155.2277 4.301672 137.9680 6.171550 17.25970       7.522792 
1 1 1 8  6  -16 o 146.3313 3.595855 439.3174       21.54586 456.7588       27.17586 409.8000       35.35344 149.0582 4.457497 140.9164 6.141719 8.141815       7.588807 
1 1 1 8  6  -15 o 241.5309 4.199833 1197.318       41.53642 1240.000       58.19650 1153.000       59.30183 245.5266 5.788606 236.6127 6.125917 8.913879       8.428216 
1 1 1 8  6  -14 f 155.5670 3.507144 496.2329       22.34064 502.7148       28.01020 484.9000       37.03682 156.4532 4.376572 153.4559 5.905231 2.997314       7.350247 
1 1 1 8  6  -13 o 177.9754 3.442156 649.3526       25.08504 640.0989       31.32344 665.9000       41.88666 176.6356 4.330787 179.9365 5.692182 -3.300903      7.152388 
1 1 1 8  6  -12 o 187.7180 3.399529 722.2952       26.13059 745.3806       33.09835 684.1000       42.57377 190.6324 4.240190 182.4052 5.707098 8.227188       7.109865 
1 1 1 8  6  -11 o 46.25867 7.645814 45.19799       13.97693 26.05794       17.68875 77.01000       22.80453 35.54458 11.01709 60.35820 9.543953 -24.81362      14.57612 
1 1 1 8  6  -10 o 322.9867 3.963027 2138.724       52.41264 2223.485       66.34544 1998.000       85.48627 329.2033 4.921783 311.7869 6.695980 17.41644       8.310241 
1 1 1 8  6  -9  o 272.6935 3.638125 1524.075       40.62345 1512.917       49.90132 1546.000       69.94890 271.6181 4.486720 274.3664 6.226236 -2.748260      7.674417 
1 1 1 8  6  -8  o 365.3648 4.254653 2736.868       63.65247 2725.813       77.94653 2759.000       110.2819 364.4973 5.222495 366.3321 7.351987 -1.834808      9.018102 
1 1 1 8  6  -7  o 272.5141 4.318801 1522.534       48.19218 1525.000       67.70002 1520.000       68.61729 272.5533 6.066146 272.0949 6.158696 0.4584656      8.644517 
1 1 1 8  6  -6  o 208.3879 3.284600 889.7457       28.02718 883.6926       34.54725 901.4000       47.93674 207.6365 4.063360 209.5248 5.592385 -1.888275      6.912718 
1 1 1 8  6  -5  o 245.8727 3.436915 1238.674       34.60218 1220.644       42.32690 1275.000       60.08046 244.0269 4.235985 249.2623 5.886434 -5.235413      7.252150 
1 1 1 8  6  -4  o 438.7420 5.948787 3949.961       106.8715 3852.000       148.9152 4054.000       153.4659 432.7822 8.403211 443.9757 8.441667 -11.19348      11.91116 
1 1 1 8  6  -3  o 248.0228 4.145595 1260.781       42.10201 1244.000       59.16092 1278.000       59.92897 246.2353 5.867595 249.5779 5.864167 -3.342560      8.295609 
1 1 1 8  6  -2  o 222.8527 3.984515 1017.770       36.35950 1033.000       51.81973 1003.000       51.02957 224.3344 5.645730 221.0511 5.642349 3.283249       7.981877 
1 1 1 8  6  -1  o 126.4856 3.930877 328.1682       20.33421 341.1000       29.39417 316.3000       28.15939 128.8347 5.585177 124.0561 5.557569 4.778625       7.879135 
1 1 1 8  6  0   o 136.6748 4.038517 383.1511       22.57658 359.3000       33.83146 402.3000       30.31364 132.1723 6.268958 139.9607 5.298982 -7.788406      8.208474 
1 1 1 8  6  1   o 86.60363 4.878661 154.2606       17.23064 168.9000       27.32769 144.6000       22.19948 90.37379 7.450883 83.68082 6.530447 6.692970       9.907694 
1 1 1 8  6  2   o 495.3013 9.286672 5049.000       188.3449 5049.000       188.3449 0.000000       0.000000 495.3013 9.286672 ?        ?        ?              ?        
1 1 1 8  6  3   o 30.07194 12.27054 6.912000       23.86470 6.912000       23.86470 0.000000       0.000000 30.07194 12.27054 ?        ?        ?              ?        
1 1 1 8  6  4   o 392.1004 5.481265 3153.705       88.00402 3153.705       88.00402 0.000000       0.000000 392.1004 5.481265 ?        ?        ?              ?        
1 1 1 8  6  5   o 492.3412 5.320442 4972.172       107.2601 4893.295       129.5605 5144.000       191.2252 488.1979 6.481153 499.7954 9.343904 -11.59750      11.37163 
1 1 1 8  6  6   o 460.9260 5.023905 4357.324       94.81936 4486.390       119.4047 4137.000       156.0079 467.4804 6.237829 448.3900 8.497011 19.09042       10.54086 
1 1 1 8  6  7   o 186.0102 3.209683 708.9185       24.44687 690.4330       30.57228 741.7000       40.71238 183.5269 4.068213 190.0713 5.235999 -6.544373      6.630690 
1 1 1 8  6  8   o 239.2175 3.399218 1172.647       33.29633 1172.448       41.65250 1173.000       55.41806 239.1370 4.253731 239.0648 5.661237 0.7220459E-01  7.081231 
1 1 1 8  6  9   o 101.3950 3.747833 211.0127       15.53363 192.4012       20.19158 238.0000       24.31414 96.70449 5.117383 107.5437 5.540077 -10.83919      7.541888 
1 1 1 8  6  10  o 206.5463 3.291651 874.2532       27.83913 882.8368       35.19235 859.9000       45.50785 207.5010 4.141939 204.6063 5.436606 2.894684       6.834643 
1 1 1 8  6  11  o 230.2115 2.915187 1085.905       27.48007 1040.174       39.18746 1130.150       38.54586 225.2120 4.249435 234.7720 4.009655 -9.560013      5.842520 
1 1 1 8  6  12  o 85.29250 3.595900 149.4007       12.53047 164.5750       20.51179 140.3662       15.82701 89.33762 5.635907 82.57560 4.700239 6.762016       7.338644 
1 1 1 8  6  13  o 119.7709 3.746310 294.4357       18.35038 277.2706       23.44183 321.6000       29.48956 116.1134 4.941731 124.9700 5.778502 -8.856667      7.603406 
1 1 1 8  6  14  f 48.11360 7.736683 48.92027       14.72554 42.12571       19.69686 57.53000       22.17233 44.17655 10.94538 51.70266 10.82096 -7.526104      15.39138 
1 1 1 8  6  15  o 181.7184 4.334468 677.8469       32.25218 677.8469       32.25218 0.000000       0.000000 181.7184 4.334468 ?        ?        ?              ?        
1 1 1 8  6  16  o 103.3979 4.150130 219.8473       17.53536 231.3463       22.97448 203.8000       27.14037 105.9267 5.313798 99.18600 6.722247 6.740669       8.568842 
1 1 1 8  6  17  o 42.59873 8.721099 39.02007       14.69961 19.99603       19.59765 63.49000       22.22640 32.89291 11.64239 54.27655 10.37887 -21.38364      15.59700 
1 1 1 8  6  18  o 217.6588 3.466813 972.5424       30.89805 977.7397       38.85288 963.6000       50.96403 218.0722 4.351096 216.0718 5.765401 2.000351       7.223011 
1 1 1 8  6  19  o 46.35091 7.829818 45.85725       14.33175 77.75655       19.68017 9.839000       20.91219 60.59249 8.137593 29.13779 11.62820 31.45470       14.19280 
1 1 1 8  6  20  o 168.6808 3.395509 584.6076       23.45281 575.5590       29.66153 599.7000       38.30730 167.1283 4.337970 170.2693 5.501630 -3.141022      7.006134 
1 1 1 8  6  21  o 75.28134 4.836037 117.4779       14.82853 118.2863       20.04088 116.5000       22.04325 75.15137 6.578897 74.37634 7.333263 0.7750397      9.851833 
1 1 1 8  6  22  o 57.29822 8.341014 70.49966       18.99564 70.49966       18.99564 0.000000       0.000000 57.29822 8.341014 ?        ?        ?              ?        
1 1 1 8  6  23  o 31.51142 11.17102 19.47098       18.04889 19.47098       18.04889 0.000000       0.000000 31.51142 11.17102 ?        ?        ?              ?        
1 1 1 8  6  24  o 58.81384 8.119045 74.78045       19.03177 74.78045       19.03177 0.000000       0.000000 58.81384 8.119045 ?        ?        ?              ?        
1 1 1 8  6  25  o 73.68513 6.578434 115.3464       19.63993 115.3464       19.63993 0.000000       0.000000 73.68513 6.578434 ?        ?        ?              ?        
1 1 1 8  6  26  o 60.97836 7.542199 80.71181       18.43103 80.71181       18.43103 0.000000       0.000000 60.97836 7.542199 ?        ?        ?              ?        
1 1 1 8  6  27  o 54.80112 8.349916 66.75372       18.14560 66.75372       18.14560 0.000000       0.000000 54.80112 8.349916 ?        ?        ?              ?        
1 1 1 8  6  28  o 47.99576 8.999375 52.64622       17.03682 52.64622       17.03682 0.000000       0.000000 47.99576 8.999375 ?        ?        ?              ?        
1 1 1 8  6  29  o 22.61707 9.638884 3.416584       15.69995 3.416584       15.69995 0.000000       0.000000 22.61707 9.638884 ?        ?        ?              ?        
1 1 1 8  6  30  o 31.62054 13.17165 18.10000       28.26469 18.10000       28.26469 0.000000       0.000000 31.62054 13.17165 ?        ?        ?              ?        
1 1 1 8  6  31  o 38.17551 14.01367 40.93000       28.70637 40.93000       28.70637 0.000000       0.000000 38.17551 14.01367 ?        ?        ?              ?        
1 1 1 8  6  32  o 24.42081 10.35784 8.102000       17.98014 8.102000       17.98014 0.000000       0.000000 24.42081 10.35784 ?        ?        ?              ?        
1 1 1 8  6  33  o 36.36093 10.32249 34.61812       16.08217 34.61812       16.08217 0.000000       0.000000 36.36093 10.32249 ?        ?        ?              ?        
1 1 1 8  6  34  o 20.66087 9.459732 -4.146000      18.01610 -4.146000      18.01610 0.000000       0.000000 20.66087 9.459732 ?        ?        ?              ?        
1 1 1 8  6  35  o 28.77030 11.27773 20.61000       19.34910 20.61000       19.34910 0.000000       0.000000 28.77030 11.27773 ?        ?        ?              ?        
1 1 1 8  6  36  o 20.25290 9.377573 -4.448000      18.41812 -4.448000      18.41812 0.000000       0.000000 20.25290 9.377573 ?        ?        ?              ?        
1 1 1 8  6  37  o 15.20851 7.452137 -22.14264      15.70060 -22.14264      15.70060 0.000000       0.000000 15.20851 7.452137 ?        ?        ?              ?        
1 1 1 8  7  -36 o 24.87816 9.832195 15.00078       14.81293 23.20991       17.52922 -5.503000      27.70325 28.62294 10.86081 23.05843 10.93387 5.564510       15.41125 
1 1 1 8  7  -35 f 18.10279 8.371720 -4.964826      14.61224 -10.30589      17.31725 8.239000       27.22795 18.37571 8.693074 25.82170 11.74835 -7.445990      14.61483 
1 1 1 8  7  -34 o 35.25075 9.831895 32.67891       14.72482 40.10701       17.61843 15.47000       26.81670 38.27071 10.78368 28.14170 12.29478 10.12902       16.35388 
1 1 1 8  7  -33 o 33.58349 9.862112 29.14335       14.45062 29.86147       17.06057 27.32000       27.18513 33.38238 10.87627 32.03387 13.08678 1.348507       17.01637 
1 1 1 8  7  -32 o 33.80711 9.830050 29.39119       14.41909 21.70310       16.66294 52.31000       28.76990 29.37430 10.69343 40.66881 14.12784 -11.29451      17.71850 
1 1 1 8  7  -31 o 27.77293 9.561668 18.69542       13.16609 20.58044       15.84442 14.49000       23.66594 28.93776 10.44250 28.01287 11.88238 0.9248943      15.81888 
1 1 1 8  7  -30 o 54.65113 6.278634 66.22813       13.79548 69.05540       17.17663 61.09000       23.15564 54.65728 7.904006 48.00206 11.85248 6.655228       14.24621 
1 1 1 8  7  -29 o 59.33509 5.874982 76.54792       14.08671 70.15202       17.61632 87.89000       23.45906 55.46018 7.987279 60.74601 9.761878 -5.285828      12.61312 
1 1 1 8  7  -28 o 68.30038 5.132876 99.40311       14.25015 107.7481       18.33444 86.67000       22.64760 70.35667 6.435302 61.09837 9.349372 9.258293       11.35006 
1 1 1 8  7  -27 o 107.6386 4.278236 242.7624       18.81877 270.0000       26.23655 213.9000       27.00772 112.5318 5.712553 99.40851 6.673649 13.12325       8.784695 
1 1 1 8  7  -26 o 31.95926 9.377485 23.42083       13.06985 14.40000       18.06890 33.32000       18.92815 28.28172 10.95145 37.41345 11.35975 -9.131727      15.77904 
1 1 1 8  7  -25 o 63.03401 5.342034 83.99388       13.65842 86.77828       17.98518 80.20000       20.99380 63.35756 7.051896 60.02023 8.803770 3.337330       11.27988 
1 1 1 8  7  -24 o 111.4361 3.677286 257.2126       16.75648 267.8900       21.71594 241.5000       26.34324 113.3209 4.690119 106.9296 6.041113 6.391373       7.648023 
1 1 1 8  7  -23 o 96.64211 5.107859 195.0728       20.14117 195.0728       20.14117 0.000000       0.000000 96.64211 5.107859 ?        ?        ?              ?        
1 1 1 8  7  -22 o 77.12100 5.938565 124.9278       18.60901 124.9278       18.60901 0.000000       0.000000 77.12100 5.938565 ?        ?        ?              ?        
1 1 1 8  7  -21 o 84.96082 5.726748 150.8122       19.80645 150.8122       19.80645 0.000000       0.000000 84.96082 5.726748 ?        ?        ?              ?        
1 1 1 8  7  -20 o 74.51362 4.778347 115.2346       14.50249 109.1565       18.62311 124.6000       23.11703 72.13210 6.370619 76.77838 7.446463 -4.646286      9.799725 
1 1 1 8  7  -19 o 94.77592 4.178915 185.4355       16.17770 184.2468       20.70225 187.3000       25.92697 94.21394 5.388813 94.63448 6.734811 -0.4205322     8.625369 
1 1 1 8  7  -18 o 75.57375 4.988085 118.3606       15.34949 122.0868       19.76614 112.7000       24.36234 76.47332 6.370095 72.95705 8.302606 3.516266       10.46477 
1 1 1 8  7  -17 o 135.9486 3.661549 380.0568       20.36425 385.5821       26.00714 371.3000       32.74049 136.7511 4.651251 133.8819 5.987411 2.869202       7.581769 
1 1 1 8  7  -16 o 104.1309 4.267682 223.3434       18.15828 211.0262       23.22790 242.7000       29.11853 100.9846 5.639743 108.1145 6.609080 -7.129967      8.688305 
1 1 1 8  7  -15 o 37.40892 11.38001 29.64522       18.98348 29.64522       18.98348 0.000000       0.000000 37.40892 11.38001 ?        ?        ?              ?        
1 1 1 8  7  -14 o 126.6320 3.868559 329.5039       20.03583 308.1524       25.28934 365.5000       32.83599 122.2961 5.061042 133.0376 6.043480 -10.74143      7.882753 
1 1 1 8  7  -13 o 141.2098 3.645712 409.3846       21.06241 412.5255       26.69037 404.2000       34.29163 141.6337 4.608316 139.9807 5.996570 1.652924       7.562766 
1 1 1 8  7  -12 o 242.5224 3.582061 1206.404       35.57209 1207.177       44.29645 1205.000       59.69302 242.4781 4.461410 241.9773 6.024548 0.5007324      7.496623 
1 1 1 8  7  -11 o 36.28277 9.674285 28.22643       14.63511 18.80713       18.97435 42.06000       22.99455 32.24723 11.45167 44.23323 12.26744 -11.98600      16.78185 
1 1 1 8  7  -10 o 120.1740 3.799202 296.4706       18.67160 306.7285       23.95753 280.6000       29.79953 122.1412 4.799565 116.6366 6.262465 5.504524       7.890139 
1 1 1 8  7  -9  o 161.0549 3.445639 531.7451       22.72313 572.3407       29.18011 469.2000       36.21958 166.9776 4.271308 150.9890 5.869507 15.98859       7.259145 
1 1 1 8  7  -8  f 45.36037 9.961886 44.18900       17.99562 5.317000       30.64934 64.64000       22.23105 32.90748 13.71254 55.03556 10.24170 -22.12808      17.11508 
1 1 1 8  7  -7  o 263.6130 4.461368 1425.502       48.15697 1335.000       67.73602 1518.000       68.47855 254.7498 6.498843 271.7944 6.153039 -17.04453      8.949573 
1 1 1 8  7  -6  o 97.51377 5.095539 195.6799       20.27548 171.8000       32.97252 210.2000       25.71108 90.83170 8.982731 100.9515 6.250556 -10.11977      10.94344 
1 1 1 8  7  -5  o 195.8647 3.393902 786.2400       27.21948 752.1928       33.85357 848.5000       45.77925 191.5159 4.316933 203.2269 5.506346 -11.71104      6.996839 
1 1 1 8  7  -4  o 318.2810 3.925951 2076.816       51.16583 2064.877       62.97619 2100.000       87.76109 317.2534 4.847811 319.6425 6.705220 -2.389099      8.274132 
1 1 1 8  7  -3  o 147.9364 3.383302 448.5011       20.49464 439.7158       26.04037 462.8000       33.22140 146.3700 4.349636 150.0662 5.415309 -3.696259      6.945856 
1 1 1 8  7  -2  o 39.06786 8.584200 32.65934       13.35656 46.24367       18.16485 16.67000       19.70734 46.47460 9.851599 31.67481 11.61386 14.79979       15.22944 
1 1 1 8  7  -1  o 223.3137 3.384048 1021.960       30.94398 1004.450       38.27486 1055.000       52.57746 221.3343 4.223189 226.7028 5.663936 -5.368469      7.065090 
1 1 1 8  7  0   o 174.6489 3.296729 625.0466       23.57619 652.2884       30.35083 583.6000       37.43671 178.3676 4.155567 168.5439 5.431598 9.823624       6.838933 
1 1 1 8  7  1   o 156.0664 3.307209 499.1185       21.13466 537.7484       27.43198 442.7000       33.15170 161.8993 4.141375 146.7600 5.526500 15.13924       6.906025 
1 1 1 8  7  2   o 227.6784 3.397985 1062.318       31.67872 1089.061       40.11396 1018.000       51.63858 230.4640 4.250774 222.6167 5.669512 7.847260       7.086074 
1 1 1 8  7  3   o 156.4229 2.844620 501.2924       18.22002 501.6669       27.43830 500.9969       24.36808 156.3548 4.289751 156.3346 3.806639 0.2020264E-01  5.735195 
1 1 1 8  7  4   o 105.7613 3.242898 229.4308       14.02720 228.9709       21.99957 229.7458       18.20869 105.5107 5.107227 105.7667 4.212839 -0.2560349     6.620557 
1 1 1 8  7  5   o 218.2945 3.307167 976.5751       29.56128 979.1000       53.48713 975.4647       35.47098 218.2513 5.990719 218.1231 3.971432 0.1282043      7.187558 
1 1 1 8  7  6   o 265.4615 3.551173 1444.460       38.60093 1368.000       66.84445 1482.715       47.28136 258.0122 6.327042 268.8810 4.294429 -10.86880      7.646802 
1 1 1 8  7  7   o 54.09638 6.112457 60.88931       13.30281 11.84000       28.32232 74.77311       15.06838 33.73801 13.50941 60.00225 6.223289 -26.26424      14.87392 
1 1 1 8  7  8   f 191.8623 3.306150 754.5034       25.97386 690.3000       46.71409 783.2347       31.24974 183.1499 6.238082 195.4379 3.904931 -12.28793      7.359495 
1 1 1 8  7  9   o 100.5431 4.214569 207.7279       17.31273 188.3822       22.63510 235.0000       26.87502 95.57292 5.811399 106.7388 6.175332 -11.16584      8.479805 
1 1 1 8  7  10  o 94.54144 4.402507 183.8054       16.99622 184.2466       22.34788 183.2000       26.17609 94.50189 5.803246 94.09237 6.840729 0.4095230      8.970689 
1 1 1 8  7  11  o 202.0016 3.442186 836.6885       28.47171 827.8538       35.58739 852.4000       47.45818 200.8439 4.327262 203.5418 5.699818 -2.697922      7.156334 
1 1 1 8  7  12  o 173.6794 3.463508 618.6339       24.63139 611.2021       31.11906 631.1000       40.30387 172.4857 4.409662 175.0860 5.629056 -2.600357      7.150622 
1 1 1 8  7  13  o 121.2998 3.879015 302.2710       19.24187 307.4269       25.15534 295.0000       29.87297 122.1890 5.038562 119.5255 6.124119 2.663460       7.930444 
1 1 1 8  7  14  o 74.49906 5.422103 114.8309       16.42706 130.2673       21.94556 95.16000       24.77338 79.14404 6.838829 67.05156 9.270803 12.09248       11.52030 
1 1 1 8  7  15  o 106.5359 4.805930 233.9638       20.91116 207.1000       30.26607 258.5000       28.92518 99.72652 7.465943 111.7196 6.349126 -11.99306      9.800597 
1 1 1 8  7  16  o 73.57510 5.367857 112.1786       16.06046 119.6739       21.39376 102.5000       24.31066 75.70189 6.980252 69.61008 8.719831 6.091812       11.16957 
1 1 1 8  7  17  o 27.69271 9.848480 14.07409       14.03818 -3.260601      18.80205 35.91000       21.10244 23.52488 10.28593 40.66808 11.91094 -17.14319      15.73756 
1 1 1 8  7  18  o 164.6558 3.452761 557.1834       23.27920 583.3793       30.16376 518.6000       36.60750 168.2313 4.382524 158.2498 5.658508 9.981491       7.157180 
1 1 1 8  7  19  o 41.56015 8.498187 37.53849       13.97359 47.32251       19.08402 26.23000       20.51698 46.32859 10.32407 35.64421 11.94036 10.68437       15.78476 
1 1 1 8  7  20  o 18.61295 8.340709 -5.294802      13.12765 -30.87632      18.14381 22.81000       19.01760 16.88378 8.215513 33.52924 11.49349 -16.64547      14.12781 
1 1 1 8  7  21  o 25.69510 10.60214 5.586828       18.07160 5.586828       18.07160 0.000000       0.000000 25.69510 10.60214 ?        ?        ?              ?        
1 1 1 8  7  22  o 42.70319 10.42405 41.12867       18.06533 41.12867       18.06533 0.000000       0.000000 42.70319 10.42405 ?        ?        ?              ?        
1 1 1 8  7  23  o 39.44499 10.81641 35.49718       17.99044 35.49718       17.99044 0.000000       0.000000 39.44499 10.81641 ?        ?        ?              ?        
1 1 1 8  7  24  o 128.0909 3.587840 339.5709       18.79956 323.7112       24.04719 364.5000       30.14890 124.5705 4.722934 131.7042 5.603261 -7.133667      7.328209 
1 1 1 8  7  25  o 39.94957 8.128088 35.69215       12.84314 40.32571       17.40976 30.16000       19.02316 41.67381 10.26975 36.10715 11.45888 5.566658       15.38745 
1 1 1 8  7  26  o 101.5692 4.415196 215.8870       18.31882 216.5000       26.19269 215.3000       25.62994 100.5321 6.396008 100.3386 6.269468 0.1934509      8.956291 
1 1 1 8  7  27  o 88.54431 4.785186 165.3530       17.28492 129.4000       23.42823 208.3000       25.60579 76.62268 7.565832 98.30996 6.395581 -21.68728      9.906830 
1 1 1 8  7  28  o 62.21149 6.160730 83.97919       15.48789 64.14000       21.17566 106.8000       22.71123 51.72054 10.36027 68.79356 8.225290 -17.07302      13.22840 
1 1 1 8  7  29  o 50.44303 6.636278 56.38509       13.37509 42.89305       17.16633 77.23000       21.33726 41.85329 10.12737 57.12937 9.451456 -15.27608      13.85257 
1 1 1 8  7  30  o 22.77942 9.779192 4.652701       16.37593 4.652701       16.37593 0.000000       0.000000 22.77942 9.779192 ?        ?        ?              ?        
1 1 1 8  7  31  o 38.47169 10.52538 38.67902       17.05779 38.67902       17.05779 0.000000       0.000000 38.47169 10.52538 ?        ?        ?              ?        
1 1 1 8  7  32  o 37.93861 10.51827 37.97300       16.90769 37.97300       16.90769 0.000000       0.000000 37.93861 10.51827 ?        ?        ?              ?        
1 1 1 8  7  33  o 20.47797 9.186891 -0.7668529     15.97601 -0.7668529     15.97601 0.000000       0.000000 20.47797 9.186891 ?        ?        ?              ?        
1 1 1 8  7  34  o 23.75657 10.05116 9.011371       16.86111 9.011371       16.86111 0.000000       0.000000 23.75657 10.05116 ?        ?        ?              ?        
1 1 1 8  7  35  f 29.96386 10.87793 25.23996       17.22647 25.23996       17.22647 0.000000       0.000000 29.96386 10.87793 ?        ?        ?              ?        
1 1 1 8  7  36  o 34.66405 14.15930 46.33000       31.81817 46.33000       31.81817 0.000000       0.000000 34.66405 14.15930 ?        ?        ?              ?        
1 1 1 8  8  0   o 269.7010 4.460811 1490.901       49.26299 1600.000       74.22327 1405.000       65.86077 279.2191 6.491881 261.6838 6.146467 17.53528       8.939999 
1 1 1 8  8  1   o 37.72226 7.946235 30.43499       11.88575 28.14996       20.02020 31.67878       14.77049 37.07181 11.75417 38.38858 9.458850 -1.316769      15.08742 
1 1 1 8  8  2   o 110.9452 3.314561 252.5512       15.04082 211.5131       23.24532 282.1067       19.72698 101.3017 5.626051 117.1973 4.117122 -15.89561      6.971596 
1 1 1 8  8  3   o 150.2459 4.333975 463.5742       26.63541 446.9000       40.57545 476.2000       35.30782 147.1962 6.749941 152.1160 5.678515 -4.919769      8.820841 
1 1 1 8  8  4   o 156.3495 3.515196 501.2303       22.50456 509.1815       29.10066 489.4000       35.49627 157.4437 4.518587 154.2115 5.630816 3.232224       7.219676 
1 1 1 8  8  5   o 118.7175 3.922896 289.4237       19.04360 258.5707       24.44069 337.1000       30.38202 112.0541 5.342122 127.9142 5.815821 -15.86008      7.896964 
1 1 1 8  8  6   o 258.5072 3.637614 1370.574       38.50468 1357.559       47.67133 1395.000       65.30891 257.1531 4.527319 260.3815 6.125448 -3.228424      7.616937 
1 1 1 8  8  7   o 171.1132 3.476628 600.4804       24.35938 600.0376       30.96046 601.2000       39.46621 170.9031 4.427912 170.8863 5.647951 0.1681519E-01  7.176751 
1 1 1 8  8  8   o 187.7114 3.466089 722.7111       26.64127 745.9940       34.24182 687.0000       42.40731 190.6070 4.387262 182.6495 5.677088 7.957520       7.174775 
1 1 1 8  8  9   o 105.1106 4.149111 227.1859       17.82265 245.5306       23.49044 202.3000       27.35977 109.1365 5.272093 98.80037 6.804398 10.33617       8.607834 
1 1 1 8  8  10  o 43.32831 8.618105 40.27351       14.75173 51.23539       19.90944 26.93000       21.96603 48.68402 10.30875 36.80123 12.35515 11.88279       16.09099 
1 1 1 8  8  11  o 219.1991 3.513669 986.1234       31.53726 998.6345       39.90202 965.3000       51.47822 220.4287 4.420814 216.3377 5.816491 4.090988       7.305830 
1 1 1 8  8  12  o 239.0535 3.575765 1173.282       35.00166 1194.883       44.20951 1137.000       57.29698 241.0521 4.478994 234.6685 5.967674 6.383591       7.461535 
1 1 1 8  8  13  o 103.5073 4.198676 220.6583       17.75846 227.0470       23.35389 211.9000       27.34399 104.7847 5.461838 100.9747 6.650426 3.809937       8.605803 
1 1 1 8  8  14  o 146.2815 7.378374 445.7000       44.05242 445.7000       44.05242 0.000000       0.000000 146.2815 7.378374 ?        ?        ?              ?        
1 1 1 8  8  15  o 191.2128 6.853033 760.4000       53.56996 760.4000       53.56996 0.000000       0.000000 191.2128 6.853033 ?        ?        ?              ?        
1 1 1 8  8  16  o 46.69143 15.56503 47.19000       34.87042 47.19000       34.87042 0.000000       0.000000 46.69143 15.56503 ?        ?        ?              ?        
1 1 1 8  8  17  o 125.3279 3.785671 323.7016       19.40514 343.7742       25.64232 296.8000       29.68551 128.8856 4.867540 119.3761 6.093146 9.509514       7.798678 
1 1 1 8  8  18  o 22.47484 9.098247 5.091473       12.99874 4.363051       17.55767 5.975000       19.33684 25.01266 10.39710 26.59129 10.96898 -1.578630      15.11351 
1 1 1 8  8  19  o 30.95899 9.930056 20.37300       14.25573 -2.973000      20.94008 40.54000       19.46224 24.60657 10.80423 42.39728 11.08703 -17.79072      15.48075 
1 1 1 8  8  20  o 111.6645 4.293448 258.4503       19.59457 268.7000       28.53115 249.3000       26.95758 113.1249 6.182880 109.0051 6.063515 4.119789       8.659920 
1 1 1 8  8  21  o 35.75612 11.55096 28.43000       19.26629 0.000000       0.000000 28.43000       19.26629 ?        ?        35.75612 11.55096 ?              ?        
1 1 1 8  8  22  o 86.77068 4.771855 157.3580       16.88922 146.6000       24.56643 167.0000       23.25722 82.60214 7.339508 88.66335 6.450149 -6.061211      9.771018 
1 1 1 8  8  23  o 61.43121 5.619668 80.04764       13.97951 93.55098       18.76328 63.20000       20.95837 65.81182 7.073652 52.52025 10.11244 13.29157       12.34091 
1 1 1 8  8  24  o 70.32749 5.055032 104.3917       14.45994 126.3724       19.44824 77.22000       21.62312 76.83250 6.235286 58.31729 9.372678 18.51521       11.25726 
1 1 1 8  8  25  o 123.8331 3.703264 319.2407       18.75676 302.2985       23.66000 347.9000       30.77244 119.8040 4.832941 127.6709 5.902315 -7.866936      7.628541 
1 1 1 8  8  26  o 77.70522 4.719295 127.6299       14.94512 116.3139       19.16269 145.2000       23.87798 73.17214 6.462017 81.21891 7.256210 -8.046768      9.716494 
1 1 1 8  8  27  o 70.32182 5.185633 105.7910       14.82691 101.0075       19.07121 113.1000       23.57426 67.54067 6.997093 70.43750 8.334829 -2.896828      10.88249 
1 1 1 8  8  28  o 21.43435 8.985546 4.960778       13.27927 -11.57850      17.13515 29.83000       21.01167 18.85092 8.833259 34.07341 12.05557 -15.22248      14.94534 
1 1 1 8  8  29  o 49.68356 7.235394 56.55475       14.28763 37.71042       17.31312 96.79000       25.29813 38.04617 10.67906 62.17628 10.29670 -24.13011      14.83457 
1 1 1 8  8  30  o 36.81701 9.277121 33.99885       13.97785 9.504297       16.64055 92.70000       25.76061 24.22589 10.10014 59.65418 10.94946 -35.42829      14.89642 
1 1 1 8  8  31  o 20.42951 8.919439 2.163315       14.09316 10.62702       16.76328 -18.24000      26.02729 24.65169 10.19519 21.68551 10.37061 2.966175       14.54275 
1 1 1 8  8  32  o 64.86088 6.152742 94.21110       16.14549 70.63379       18.78395 160.9000       31.59124 53.76699 8.838787 79.97407 9.855238 -26.20708      13.23820 
1 1 1 8  8  33  o 25.48034 10.00061 14.91493       15.23115 12.30714       18.06360 21.33000       28.33142 25.09125 10.49660 29.50812 12.76652 -4.416864      16.52764 
1 1 1 8  8  34  f 19.18243 8.728564 -1.556314      15.03467 4.718050       18.21250 -14.98000      26.63916 22.32591 9.926122 21.47801 10.32908 0.8478985      14.32543 
1 1 1 9  0  -40 o 29.81924 15.83637 38.26000       26.07718 38.26000       26.07718 38.26000       26.07718 29.81924 15.83637 29.81924 15.83637 -0.000000      0.000000 
1 1 1 9  0  -39 f 32.47854 16.08137 41.95000       25.73246 41.95000       25.73246 41.95000       25.73246 32.47854 16.08137 32.47854 16.08137 0.000000       0.000000 
1 1 1 9  0  -38 o 18.03233 11.97025 0.8152000      23.46345 0.8152000      23.46345 0.8152000      23.46345 18.03233 11.97025 18.03233 11.97025 0.000000       0.000000 
1 1 1 9  0  -37 o 23.62637 13.95191 19.89000       23.13543 19.89000       23.13543 19.89000       23.13543 23.62637 13.95191 23.62637 13.95191 0.000000       0.000000 
1 1 1 9  0  -36 o 29.91677 15.14637 33.46000       23.07940 33.46000       23.07940 33.46000       23.07940 29.91677 15.14637 29.91677 15.14637 -0.000000      0.000000 
1 1 1 9  0  -35 o 20.31077 12.91128 8.008000       23.46770 8.008000       23.46770 8.008000       23.46770 20.31077 12.91128 20.31077 12.91128 0.000000       0.000000 
1 1 1 9  0  -34 o 29.17365 15.10164 30.08000       23.25823 30.08000       23.25823 30.08000       23.25823 29.17365 15.10164 29.17365 15.10164 0.000000       0.000000 
1 1 1 9  0  -33 o 22.76818 13.77822 14.05000       23.65067 14.05000       23.65067 14.05000       23.65067 22.76818 13.77822 22.76818 13.77822 0.000000       0.000000 
1 1 1 9  0  -32 o 69.77694 10.54138 111.2000       28.08775 111.2000       28.08775 111.2000       28.08775 69.77694 10.54138 69.77694 10.54138 -0.000000      0.000000 
1 1 1 9  0  -31 o 29.87677 15.93392 29.86000       26.49445 29.86000       26.49445 29.86000       26.49445 29.87677 15.93392 29.87677 15.93392 0.000000       0.000000 
1 1 1 9  0  -30 o 50.41785 15.05067 67.38000       27.04881 67.38000       27.04881 67.38000       27.04881 50.41785 15.05067 50.41785 15.05067 0.000000       0.000000 
1 1 1 9  0  -29 o 171.3578 6.334681 610.6000       44.31003 610.6000       44.31003 610.6000       44.31003 171.3578 6.334681 171.3578 6.334681 0.000000       0.000000 
1 1 1 9  0  -28 o 13.20066 9.561771 -53.53000      27.68052 -53.53000      27.68052 -53.53000      27.68052 13.20066 9.561771 13.20066 9.561771 0.000000       0.000000 
1 1 1 9  0  -27 o 22.14016 14.21274 2.648000       29.29956 2.648000       29.29956 2.648000       29.29956 22.14016 14.21274 22.14016 14.21274 0.000000       0.000000 
1 1 1 9  0  -26 o 197.3756 6.425188 805.3000       51.80349 805.3000       51.80349 805.3000       51.80349 197.3756 6.425188 197.3756 6.425188 0.000000       0.000000 
1 1 1 9  0  -25 o 87.58203 10.22306 165.3000       35.35860 165.3000       35.35860 165.3000       35.35860 87.58203 10.22306 87.58203 10.22306 0.000000       0.000000 
1 1 1 9  0  -24 o 30.09869 17.38521 24.34000       34.63821 24.34000       34.63821 24.34000       34.63821 30.09869 17.38521 30.09869 17.38521 -0.000000      0.000000 
1 1 1 9  0  -23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  0  -22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  0  -21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  0  -20 o 397.3212 8.045177 3246.000       130.7675 3246.000       130.7675 3246.000       130.7675 397.3212 8.045177 397.3212 8.045177 -0.000000      0.000000 
1 1 1 9  0  -19 o 175.4095 6.465433 633.6000       46.29478 633.6000       46.29478 633.6000       46.29478 175.4095 6.465433 175.4095 6.465433 -0.000000      0.000000 
1 1 1 9  0  -18 o 239.7382 6.394100 1181.000       62.66747 1181.000       62.66747 1181.000       62.66747 239.7382 6.394100 239.7382 6.394100 -0.000000      0.000000 
1 1 1 9  0  -17 f 97.84120 8.196774 200.5000       32.28922 200.5000       32.28922 200.5000       32.28922 97.84120 8.196774 97.84120 8.196774 -0.000000      0.000000 
1 1 1 9  0  -16 o 110.4470 7.129100 253.2000       31.92919 253.2000       31.92919 253.2000       31.92919 110.4470 7.129100 110.4470 7.129100 -0.000000      0.000000 
1 1 1 9  0  -15 o 61.84160 11.84366 86.59000       26.80702 86.59000       26.80702 86.59000       26.80702 61.84160 11.84366 61.84160 11.84366 0.000000       0.000000 
1 1 1 9  0  -14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  0  -13 o 330.6300 6.946717 2243.000       93.95360 2243.000       93.95360 2243.000       93.95360 330.6300 6.946717 330.6300 6.946717 -0.000000      0.000000 
1 1 1 9  0  -12 o 426.1314 8.220043 3726.000       143.3103 3726.000       143.3103 3726.000       143.3103 426.1314 8.220043 426.1314 8.220043 0.000000       0.000000 
1 1 1 9  0  -11 o 461.2791 8.720795 4366.000       164.5864 4366.000       164.5864 4366.000       164.5864 461.2791 8.720795 461.2791 8.720795 0.000000       0.000000 
1 1 1 9  0  -10 o 118.5980 5.967374 290.3000       28.81088 290.3000       28.81088 290.3000       28.81088 118.5980 5.967374 118.5980 5.967374 0.000000       0.000000 
1 1 1 9  0  -9  o 370.3039 7.391208 2813.000       111.9715 2813.000       111.9715 2813.000       111.9715 370.3039 7.391208 370.3039 7.391208 -0.000000      0.000000 
1 1 1 9  0  -8  o 283.0785 6.305884 1644.000       73.01136 1644.000       73.01136 1644.000       73.01136 283.0785 6.305884 283.0785 6.305884 0.000000       0.000000 
1 1 1 9  0  -7  o 191.1677 5.499557 750.4000       42.96870 750.4000       42.96870 750.4000       42.96870 191.1677 5.499557 191.1677 5.499557 0.000000       0.000000 
1 1 1 9  0  -6  o 12.67450 8.958420 -23.48000      18.89652 -23.48000      18.89652 -23.48000      18.89652 12.67450 8.958420 12.67450 8.958420 0.000000       0.000000 
1 1 1 9  0  -5  o 182.9118 5.420159 687.1000       40.51481 687.1000       40.51481 687.1000       40.51481 182.9118 5.420159 182.9118 5.420159 0.000000       0.000000 
1 1 1 9  0  -4  o 266.2057 6.064120 1454.000       66.02377 1454.000       66.02377 1454.000       66.02377 266.2057 6.064120 266.2057 6.064120 0.000000       0.000000 
1 1 1 9  0  -3  o 400.9254 7.789997 3298.000       127.7777 3298.000       127.7777 3298.000       127.7777 400.9254 7.789997 400.9254 7.789997 0.000000       0.000000 
1 1 1 9  0  -2  o 44.17117 12.81739 48.89000       20.11611 48.89000       20.11611 48.89000       20.11611 44.17117 12.81739 44.17117 12.81739 0.000000       0.000000 
1 1 1 9  0  -1  o 540.8033 9.915232 6004.000       219.4004 6004.000       219.4004 6004.000       219.4004 540.8033 9.915232 540.8033 9.915232 0.000000       0.000000 
1 1 1 9  0  0   o 387.1343 7.584113 3075.000       120.1198 3075.000       120.1198 3075.000       120.1198 387.1343 7.584113 387.1343 7.584113 0.000000       0.000000 
1 1 1 9  0  1   o 473.8484 8.865542 4608.000       171.8803 4608.000       171.8803 4608.000       171.8803 473.8484 8.865542 473.8484 8.865542 0.000000       0.000000 
1 1 1 9  0  2   o 189.1271 5.309107 734.4000       41.04167 734.4000       41.04167 734.4000       41.04167 189.1271 5.309107 189.1271 5.309107 0.000000       0.000000 
1 1 1 9  0  3   o 248.8885 5.776492 1271.000       58.79832 1271.000       58.79832 1271.000       58.79832 248.8885 5.776492 248.8885 5.776492 0.000000       0.000000 
1 1 1 9  0  4   o 125.1229 5.303256 322.4000       27.05959 322.4000       27.05959 322.4000       27.05959 125.1229 5.303256 125.1229 5.303256 0.000000       0.000000 
1 1 1 9  0  5   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  0  6   o 621.8600 11.17296 7940.000       284.2948 7940.000       284.2948 7940.000       284.2948 621.8600 11.17296 621.8600 11.17296 0.000000       0.000000 
1 1 1 9  0  7   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  0  8   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  0  9   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  0  10  o 391.3626 7.593674 3142.000       121.5869 3142.000       121.5869 3142.000       121.5869 391.3626 7.593674 391.3626 7.593674 0.000000       0.000000 
1 1 1 9  0  11  o 444.5677 8.378276 4055.000       152.3944 4055.000       152.3944 4055.000       152.3944 444.5677 8.378276 444.5677 8.378276 0.000000       0.000000 
1 1 1 9  0  12  o 91.18205 5.973565 172.5000       22.08053 172.5000       22.08053 172.5000       22.08053 91.18205 5.973565 91.18205 5.973565 -0.000000      0.000000 
1 1 1 9  0  13  o 135.1642 5.230041 375.9000       28.84757 375.9000       28.84757 375.9000       28.84757 135.1642 5.230041 135.1642 5.230041 0.000000       0.000000 
1 1 1 9  0  14  o 308.2033 6.450861 1949.000       81.32983 1949.000       81.32983 1949.000       81.32983 308.2033 6.450861 308.2033 6.450861 0.000000       0.000000 
1 1 1 9  0  15  o 380.4704 7.428322 2971.000       115.6278 2971.000       115.6278 2971.000       115.6278 380.4704 7.428322 380.4704 7.428322 0.000000       0.000000 
1 1 1 9  0  16  o 32.61907 13.89269 31.05000       18.86550 31.05000       18.86550 31.05000       18.86550 32.61907 13.89269 32.61907 13.89269 0.000000       0.000000 
1 1 1 9  0  17  f 91.75040 6.428048 175.1000       23.87251 175.1000       23.87251 175.1000       23.87251 91.75040 6.428048 91.75040 6.428048 0.000000       0.000000 
1 1 1 9  0  18  o 226.9807 5.638614 1058.000       52.33350 1058.000       52.33350 1058.000       52.33350 226.9807 5.638614 226.9807 5.638614 0.000000       0.000000 
1 1 1 9  0  19  o 48.90191 7.864972 52.71236       14.52824 52.71236       14.52824 52.71236       14.52824 48.90191 7.864972 48.90191 7.864972 0.000000       0.000000 
1 1 1 9  0  20  o 402.0238 5.490530 3315.623       90.34578 3315.623       90.34578 3315.623       90.34578 402.0238 5.490530 402.0238 5.490530 -0.000000      0.000000 
1 1 1 9  0  21  o 81.33077 4.939849 137.1000       16.31058 137.1000       16.31058 137.1000       16.31058 81.33077 4.939849 81.33077 4.939849 0.000000       0.000000 
1 1 1 9  0  22  o 65.84913 5.945468 91.12879       15.71553 91.12879       15.71553 91.12879       15.71553 65.84913 5.945468 65.84913 5.945468 0.000000       0.000000 
1 1 1 9  0  23  o 223.1918 3.978743 1022.185       36.33601 1022.185       36.33601 1022.185       36.33601 223.1918 3.978743 223.1918 3.978743 0.000000       0.000000 
1 1 1 9  0  24  o 200.7366 3.839879 827.1458       31.53625 827.1458       31.53625 827.1458       31.53625 200.7366 3.839879 200.7366 3.839879 0.000000       0.000000 
1 1 1 9  0  25  o 198.5987 3.814689 809.8942       30.99547 809.8942       30.99547 809.8942       30.99547 198.5987 3.814689 198.5987 3.814689 0.000000       0.000000 
1 1 1 9  0  26  o 131.8185 3.761713 357.4119       20.26682 357.4119       20.26682 357.4119       20.26682 131.8185 3.761713 131.8185 3.761713 0.000000       0.000000 
1 1 1 9  0  27  o 102.1514 3.911081 215.2099       16.30479 215.2099       16.30479 215.2099       16.30479 102.1514 3.911081 102.1514 3.911081 -0.000000      0.000000 
1 1 1 9  0  28  o 22.27912 10.39466 15.17621       10.56213 15.17621       10.56213 15.17621       10.56213 22.27912 10.39466 22.27912 10.39466 -0.000000      0.000000 
1 1 1 9  0  29  o 48.94469 5.572734 51.33731       10.79488 51.33731       10.79488 51.33731       10.79488 48.94469 5.572734 48.94469 5.572734 0.000000       0.000000 
1 1 1 9  0  30  o 9.575580 6.599087 -6.226665      8.588534 -6.226665      8.588534 -6.226665      8.588534 9.575580 6.599087 9.575580 6.599087 0.000000       0.000000 
1 1 1 9  0  31  o 55.63315 11.36276 73.50000       22.89130 73.50000       22.89130 73.50000       22.89130 55.63315 11.36276 55.63315 11.36276 0.000000       0.000000 
1 1 1 9  0  32  o 22.49551 13.41922 13.82000       21.80300 13.82000       21.80300 13.82000       21.80300 22.49551 13.41922 22.49551 13.41922 -0.000000      0.000000 
1 1 1 9  0  33  o 66.39738 9.750970 100.5000       24.83842 100.5000       24.83842 100.5000       24.83842 66.39738 9.750970 66.39738 9.750970 0.000000       0.000000 
1 1 1 9  0  34  o 12.70839 9.088313 -29.64000      21.63379 -29.64000      21.63379 -29.64000      21.63379 12.70839 9.088313 12.70839 9.088313 0.000000       0.000000 
1 1 1 9  0  35  o 18.43779 12.19680 0.2117000E-01  24.01568 0.2117000E-01  24.01568 0.2117000E-01  24.01568 18.43779 12.19680 18.43779 12.19680 0.000000       0.000000 
1 1 1 9  0  36  o 20.69024 13.02509 10.56000       23.23230 10.56000       23.23230 10.56000       23.23230 20.69024 13.02509 20.69024 13.02509 -0.000000      0.000000 
1 1 1 9  0  37  o 28.78336 15.19073 32.08000       23.87153 32.08000       23.87153 32.08000       23.87153 28.78336 15.19073 28.78336 15.19073 0.000000       0.000000 
1 1 1 9  0  38  o 46.09337 15.05105 64.05000       25.15894 64.05000       25.15894 64.05000       25.15894 46.09337 15.05105 46.09337 15.05105 0.000000       0.000000 
1 1 1 9  0  39  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  0  40  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  1  -40 o 28.98868 11.08514 24.07242       18.35019 12.20000       26.53146 34.96000       25.40722 26.13786 11.77300 32.35687 12.84846 -6.219013      17.42660 
1 1 1 9  1  -39 o 23.49863 10.13280 8.335639       17.73102 -15.91000      25.33571 31.61000       24.82305 21.11440 10.13314 32.12426 12.71784 -11.00986      16.26112 
1 1 1 9  1  -38 o 20.61483 9.335632 -1.751301      16.94862 -4.324000      24.80175 0.5027000      23.21480 23.41403 10.85541 23.84512 10.84866 -0.4310818     15.34710 
1 1 1 9  1  -37 o 33.19381 10.89199 29.36984       17.09579 46.80000       25.03511 14.14000       23.40166 39.51286 13.18889 27.64563 11.77449 11.86723       17.68009 
1 1 1 9  1  -36 o 17.43742 8.263890 -12.83193      15.78278 -6.424000      22.85842 -18.67000      21.81834 22.48528 10.42365 19.74927 9.458207 2.736008       14.07516 
1 1 1 9  1  -35 o 60.64440 7.433855 83.92734       18.07427 68.59000       25.54205 99.31000       25.57976 50.18755 12.48122 63.36337 10.20560 -13.17581      16.12250 
1 1 1 9  1  -34 o 20.24821 9.237445 -5.924812      16.97801 -10.55000      23.78506 -1.120000      24.24252 22.85676 10.60860 25.09191 11.28189 -2.235153      15.48624 
1 1 1 9  1  -33 o 36.15005 10.87749 31.84178       17.41066 24.41000       24.83887 39.02000       24.41146 33.29052 12.85387 39.06644 13.02322 -5.775921      18.29825 
1 1 1 9  1  -32 o 40.27631 10.88412 39.03508       18.37309 30.88000       27.03940 46.03000       25.04232 36.48449 13.56334 42.68309 13.08732 -6.198601      18.84786 
1 1 1 9  1  -31 o 97.59282 5.526802 201.3285       21.99569 206.3000       33.10686 197.4000       29.42996 96.81911 8.435005 95.31531 7.603532 1.503799       11.35619 
1 1 1 9  1  -30 o 91.17725 5.901482 175.6590       21.91456 209.2000       34.60445 153.2000       28.31643 97.79642 8.733210 83.82193 8.361482 13.97449       12.09063 
1 1 1 9  1  -29 o 39.87627 11.58788 36.43056       20.04244 56.06000       32.13226 23.93000       25.64201 48.29352 14.82781 35.15531 13.18035 13.13821       19.83899 
1 1 1 9  1  -28 o 138.2251 4.946971 396.8920       27.95438 442.7000       43.27903 364.1000       36.61763 144.7701 7.324666 131.5294 6.822284 13.24065       10.00971 
1 1 1 9  1  -27 o 94.74053 6.297842 187.8106       24.29290 164.6000       36.42791 206.4000       32.60053 87.03992 10.42830 98.64404 8.143518 -11.60411      13.23126 
1 1 1 9  1  -26 o 82.52785 7.177917 143.0975       24.01519 129.6000       37.24783 152.7000       31.41699 76.66029 12.28046 84.59348 9.218905 -7.933189      15.35571 
1 1 1 9  1  -25 o 120.4129 5.677197 300.3768       27.91302 246.8000       40.62253 348.3000       38.41946 108.0381 9.272187 129.2049 7.291450 -21.16683      11.79571 
1 1 1 9  1  -24 o 189.8010 4.759179 742.1252       36.95831 741.7000       54.00003 742.5000       50.69069 189.0755 6.986858 189.3291 6.548483 -0.2535553     9.575951 
1 1 1 9  1  -23 o 179.0110 4.886997 659.6761       35.78818 664.7000       53.11846 655.5000       48.43008 179.1052 7.257941 178.0286 6.655277 1.076553       9.847356 
1 1 1 9  1  -22 o 28.55019 12.18450 0.2969815      25.14999 -11.87000      38.96833 8.983000       32.92537 32.73894 14.53970 34.75084 14.32187 -2.011898      20.40879 
1 1 1 9  1  -21 o 123.5176 5.879628 314.4826       29.65203 343.1000       46.95479 295.5000       38.24221 128.4675 8.982709 119.3994 7.865789 9.068123       11.93984 
1 1 1 9  1  -20 o 151.5367 5.153616 472.0657       31.93169 440.5000       47.69897 497.7000       42.98454 145.9488 8.012228 155.3752 6.772525 -9.426392      10.49109 
1 1 1 9  1  -19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  1  -18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  1  -17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  1  -16 o 83.52591 6.433081 144.0729       21.83273 158.0000       33.50956 133.8000       28.77966 87.06945 9.555764 80.14098 8.921191 6.928467       13.07288 
1 1 1 9  1  -15 o 375.8683 5.387390 2897.300       82.91604 2907.000       118.5137 2888.000       116.0472 376.1698 7.694141 374.9608 7.558305 1.208984       10.78554 
1 1 1 9  1  -14 o 319.6823 4.965984 2094.956       65.00523 2042.000       91.05492 2150.000       92.83343 315.4159 7.050103 323.6546 7.004838 -8.238770      9.938396 
1 1 1 9  1  -13 o 344.4777 5.078608 2432.259       71.63580 2380.000       100.6070 2486.000       102.0245 340.5602 7.214561 348.0676 7.158408 -7.507477      10.16330 
1 1 1 9  1  -12 o 417.6691 5.750946 3576.131       98.35491 3511.000       137.6849 3644.000       140.5491 413.5849 8.130123 421.3435 8.146429 -7.758545      11.50927 
1 1 1 9  1  -11 o 182.5319 4.042918 682.5285       30.21747 716.9000       44.91183 654.1000       40.84499 186.9201 5.875165 178.5561 5.593398 8.363983       8.111946 
1 1 1 9  1  -10 o 416.5119 5.708266 3555.526       97.35449 3550.000       138.0042 3561.000       137.3582 415.9673 8.102305 416.6168 8.051807 -0.6494141     11.42274 
1 1 1 9  1  -9  o 744.6861 9.339271 11383.70       284.7807 11580.00       409.5888 11200.00       396.2252 750.0562 13.33613 737.7112 13.11690 12.34503       18.70576 
1 1 1 9  1  -8  o 447.6725 6.020904 4107.490       110.3689 4090.000       156.0386 4125.000       156.1317 446.4793 8.535057 448.3890 8.503772 -1.909760      12.04829 
1 1 1 9  1  -7  o 465.5664 6.193034 4442.577       118.0618 4470.000       168.2877 4416.000       165.6723 466.7394 8.805489 463.9214 8.721299 2.818024       12.39345 
1 1 1 9  1  -6  o 302.8773 4.594815 1879.281       56.98482 1936.000       82.69765 1828.000       78.63328 307.3163 6.571782 298.6294 6.430570 8.686951       9.194593 
1 1 1 9  1  -5  o 374.7255 5.249826 2877.175       80.55316 2965.000       116.9897 2798.000       111.0787 380.2433 7.513836 369.3932 7.343745 10.85010       10.50659 
1 1 1 9  1  -4  o 179.2311 3.827159 657.9720       28.08758 707.7000       41.65186 616.5000       38.03743 185.7582 5.481980 173.3721 5.364513 12.38606       7.670079 
1 1 1 9  1  -3  o 208.1341 3.896003 887.3114       33.20373 908.5000       48.21619 868.2000       45.79187 210.4798 5.599431 205.7648 5.439687 4.714996       7.806653 
1 1 1 9  1  -2  o 324.9922 4.766659 2163.888       63.43245 2040.000       86.36460 2309.000       93.47022 315.4485 6.686255 335.5948 6.801954 -20.14633      9.537955 
1 1 1 9  1  -1  o 604.2900 7.705389 7489.576       190.6621 7444.000       268.4029 7536.000       270.8882 601.9157 10.88998 605.6172 10.92364 -3.701477      15.42458 
1 1 1 9  1  0   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  1  1   o 415.3088 5.649620 3534.695       96.07597 3592.000       138.1373 3481.000       133.7145 418.4547 8.061913 411.9517 7.926978 6.502991       11.30626 
1 1 1 9  1  2   o 157.1174 3.754378 505.6216       24.15387 505.2000       35.11705 506.0000       33.27481 156.9196 5.473712 157.0611 5.181043 -0.1415253     7.536892 
1 1 1 9  1  3   o 277.7549 4.326443 1580.370       49.20589 1642.000       71.87334 1526.000       67.50700 283.0362 6.201567 272.8634 6.041977 10.17279       8.658229 
1 1 1 9  1  4   o 286.0874 4.396214 1676.632       51.49939 1635.000       72.09834 1720.000       73.58675 282.4325 6.234278 289.6826 6.203728 -7.250153      8.795025 
1 1 1 9  1  5   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  1  6   o 327.1288 4.761853 2192.377       63.78508 2250.000       92.43652 2140.000       88.12903 331.2867 6.814206 323.0966 6.661348 8.190033       9.529268 
1 1 1 9  1  7   o 75.81223 4.919060 118.2481       15.18779 129.1000       22.73350 109.5000       20.41125 79.03436 7.100265 72.75388 6.935365 6.280479       9.925374 
1 1 1 9  1  8   o 675.1642 8.507529 9352.625       235.2000 9471.000       336.8410 9240.000       328.5595 678.6841 12.12084 670.3922 11.96908 8.291931       17.03448 
1 1 1 9  1  9   o 300.7144 4.512473 1852.550       55.56397 1848.000       79.01711 1857.000       78.14874 300.2500 6.427080 300.9852 6.340921 -0.7351990     9.028545 
1 1 1 9  1  10  o 439.2121 5.882934 3953.901       105.8017 3879.000       147.6278 4033.000       151.7080 434.7938 8.292020 443.3329 8.357073 -8.539154      11.77278 
1 1 1 9  1  11  o 635.4733 8.059039 8286.610       209.7032 8217.000       294.7122 8358.000       298.4533 632.0836 11.38673 637.4717 11.43381 -5.388062      16.13660 
1 1 1 9  1  12  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  1  13  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  1  14  o 99.54418 4.409048 203.4711       17.92694 203.4711       17.92694 0.000000       0.000000 99.54418 4.409048 ?        ?        ?              ?        
1 1 1 9  1  15  o 139.8034 3.125082 400.3825       17.88972 394.8322       22.07589 411.0000       30.53307 138.7552 3.889314 141.4730 5.280014 -2.717804      6.557843 
1 1 1 9  1  16  o 133.1536 3.183114 363.2411       17.35520 385.9177       21.91533 325.1000       28.42206 137.1681 3.905826 125.7620 5.532810 11.40601       6.772552 
1 1 1 9  1  17  o 95.58194 3.663047 187.5087       14.30995 183.3186       17.82697 195.1000       23.99530 94.43617 4.624207 97.29723 6.052817 -2.861053      7.617079 
1 1 1 9  1  18  o 149.6610 3.930367 459.4919       24.06523 500.4000       36.75654 428.8000       31.83772 156.0119 5.763677 144.4428 5.392433 11.56912       7.892928 
1 1 1 9  1  19  o 143.2564 3.243271 420.5922       19.02487 424.1710       24.04402 414.6000       31.11226 143.7639 4.088594 142.0078 5.360129 1.756119       6.741482 
1 1 1 9  1  20  o 71.55167 4.762849 105.5423       13.87495 98.48271       18.33609 115.0000       21.22329 68.88190 6.580866 74.41472 7.049177 -5.532822      9.643582 
1 1 1 9  1  21  o 334.9476 3.982295 2301.740       54.61786 2367.656       68.86844 2190.000       89.66629 339.5157 4.953772 326.0890 6.715351 13.42673       8.344806 
1 1 1 9  1  22  o 145.8642 3.292655 436.3623       19.66615 413.4988       24.87204 474.5000       32.12309 141.8416 4.287282 151.8242 5.174724 -9.982544      6.720012 
1 1 1 9  1  23  o 220.8560 4.061705 1001.927       36.73177 927.0000       50.95247 1083.000       53.00121 211.9792 5.875795 229.2684 5.645692 -17.28917      8.148546 
1 1 1 9  1  24  o 39.28243 6.441653 32.72288       10.00262 26.12223       16.24431 36.75407       12.69476 35.02371 10.49963 41.41611 7.771037 -6.392395      13.06259 
1 1 1 9  1  25  o 89.61210 3.159811 165.1069       11.57636 167.7334       17.85671 163.2028       15.20420 90.06543 4.859935 88.95133 4.186072 1.114098       6.414216 
1 1 1 9  1  26  o 104.9386 2.848528 226.2982       12.22865 221.8698       18.56895 229.6895       16.24997 103.6422 4.385396 105.5769 3.764913 -1.934708      5.779816 
1 1 1 9  1  27  o 97.77847 2.865245 196.6279       11.45937 196.5673       17.67179 196.6719       15.05331 97.45641 4.440053 97.62821 3.772684 -0.1718063     5.826424 
1 1 1 9  1  28  o 19.68073 7.260029 6.566055       7.720218 3.906494       12.80776 8.083857       9.675550 21.73633 8.942662 21.86553 8.116337 -0.1292000     12.07668 
1 1 1 9  1  29  o 65.73076 4.423539 89.99596       11.83659 88.69010       14.04939 93.19000       21.97255 65.00175 5.325110 65.49738 8.384851 -0.4956284     9.932900 
1 1 1 9  1  30  o 74.29768 4.541719 115.3071       13.75118 115.2000       17.14829 115.5000       23.01604 73.83925 5.716126 72.97021 7.825092 0.8690338      9.690519 
1 1 1 9  1  31  o 66.63591 4.639949 93.21721       12.58127 108.1000       15.49588 64.43000       21.55132 71.50699 5.330637 52.74828 10.34776 18.75871       11.64010 
1 1 1 9  1  32  o 44.82269 6.175447 43.61260       11.03330 46.25000       13.05221 37.01000       20.65159 45.73403 7.208194 38.91827 11.87553 6.815758       13.89195 
1 1 1 9  1  33  o 29.08765 10.52363 18.42303       16.10445 -0.1201000     24.79681 31.95000       21.17895 25.96957 11.56197 36.01963 12.13204 -10.05006      16.75904 
1 1 1 9  1  34  o 22.23125 9.714062 1.466084       16.74597 28.40000       25.39386 -19.26000      22.27602 34.15409 13.04518 20.47302 9.735712 13.68107       16.27762 
1 1 1 9  1  35  o 20.73583 9.917284 -20.29000      23.81239 -20.29000      23.81239 0.000000       0.000000 20.73583 9.917284 ?        ?        ?              ?        
1 1 1 9  1  36  o 34.57007 12.77634 33.89000       23.92850 33.89000       23.92850 0.000000       0.000000 34.57007 12.77634 ?        ?        ?              ?        
1 1 1 9  1  37  o 19.63035 9.491708 -23.60000      23.23786 -23.60000      23.23786 0.000000       0.000000 19.63035 9.491708 ?        ?        ?              ?        
1 1 1 9  1  38  o 23.82077 10.91679 -1.017000      24.06915 -1.017000      24.06915 0.000000       0.000000 23.82077 10.91679 ?        ?        ?              ?        
1 1 1 9  1  39  o 30.98940 12.93914 28.21000       27.36983 28.21000       27.36983 0.000000       0.000000 30.98940 12.93914 ?        ?        ?              ?        
1 1 1 9  1  40  o 33.80264 13.31809 40.17000       27.10302 40.17000       27.10302 0.000000       0.000000 33.80264 13.31809 ?        ?        ?              ?        
1 1 1 9  2  -39 o 21.36999 9.727100 0.5386020      18.69022 13.93000       26.67796 -12.37000      26.19264 26.72973 11.94034 21.67889 10.37716 5.050844       15.81952 
1 1 1 9  2  -38 o 36.17627 11.26374 37.31971       18.46634 25.79000       26.30667 48.52000       25.92815 30.60604 12.72472 38.64877 13.41276 -8.042725      18.48839 
1 1 1 9  2  -37 o 22.94757 10.02609 4.685637       17.83531 21.07000       25.29239 -11.52000      25.15406 29.88981 12.45600 22.32575 10.53617 7.564064       16.31450 
1 1 1 9  2  -36 o 35.50721 10.86086 33.77147       17.25979 40.71000       24.60530 27.05000       24.21737 37.08189 13.05236 31.91091 12.58411 5.170979       18.13074 
1 1 1 9  2  -35 o 84.24122 5.877192 156.3355       20.14589 143.8000       28.14818 169.5000       28.84581 77.17326 9.081191 84.69301 8.429649 -7.519745      12.39060 
1 1 1 9  2  -34 o 30.99628 11.00000 23.58450       17.50452 1.987000       24.78448 45.08000       24.72589 25.62819 11.47416 40.15170 13.09440 -14.52351      17.41033 
1 1 1 9  2  -33 o 35.02431 11.00878 30.41006       17.59681 14.76000       25.40168 44.85000       24.39985 29.82744 12.46044 41.08823 12.96985 -11.26079      17.98554 
1 1 1 9  2  -32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  2  -31 o 52.20537 9.341801 62.46600       19.23641 80.15000       30.69606 51.03000       24.68478 56.29242 13.49283 45.17551 12.77648 11.11691       18.58211 
1 1 1 9  2  -30 o 63.06097 7.758729 87.01964       19.61252 92.25000       32.21692 83.94000       24.72112 61.51217 13.18693 60.47514 10.35534 1.037022       16.76687 
1 1 1 9  2  -29 o 36.70840 11.66672 30.73283       19.71339 47.54000       33.67476 21.97000       24.31529 44.47980 15.29259 33.73742 12.79379 10.74239       19.93851 
1 1 1 9  2  -28 o 81.25015 6.799387 140.0689       22.41409 94.88000       37.83698 164.5000       27.82097 62.64120 14.95819 87.60709 7.838207 -24.96589      16.88742 
1 1 1 9  2  -27 o 48.40899 11.00664 52.87214       21.32216 76.11000       38.21773 42.37000       25.69246 56.29794 15.88904 43.15874 13.26037 13.13920       20.69538 
1 1 1 9  2  -26 o 142.9595 4.975115 423.4625       29.07891 429.0000       46.47520 419.9000       37.27709 142.5657 7.993270 141.7901 6.437331 0.7755585      10.26312 
1 1 1 9  2  -25 o 30.89328 12.00869 14.03185       21.78970 -30.34000      36.62122 38.35000       27.11092 27.81115 12.99334 42.17635 13.70838 -14.36520      18.88773 
1 1 1 9  2  -24 o 101.9078 6.318474 215.9622       26.23629 221.6000       42.92528 212.6000       33.14883 101.9069 10.43406 100.6059 8.115560 1.300980       13.21862 
1 1 1 9  2  -23 o 126.5554 5.583098 331.0693       28.86091 354.5000       47.22361 317.1000       36.46303 130.0220 8.923996 123.4473 7.245369 6.574753       11.49492 
1 1 1 9  2  -22 o 61.65675 10.35053 81.53573       25.20662 112.9000       42.52760 64.55000       31.29646 71.42850 15.01768 54.08079 14.01839 17.34771       20.54376 
1 1 1 9  2  -21 o 105.8138 6.453746 231.6488       27.82968 196.1000       45.23403 253.3000       35.30154 96.11967 11.73596 110.3969 7.860734 -14.27718      14.12529 
1 1 1 9  2  -20 o 140.7986 5.398396 408.0789       31.06577 382.0000       48.67732 426.0000       40.35184 135.6008 8.814549 143.6223 6.881490 -8.021530      11.18263 
1 1 1 9  2  -19 o 34.31206 12.76956 19.00685       23.97950 -8.248000      39.07632 35.47000       30.37025 33.67823 14.77415 42.65569 14.52680 -8.977463      20.71964 
1 1 1 9  2  -18 o 39.79077 12.66061 32.37930       23.20979 13.98000       37.15846 44.15000       29.72064 38.10243 15.39785 46.02310 14.28323 -7.920670      21.00249 
1 1 1 9  2  -17 o 199.0699 6.199997 814.9000       50.47679 0.000000       0.000000 814.9000       50.47679 ?        ?        199.0699 6.199997 ?              ?        
1 1 1 9  2  -16 o 184.7619 6.072994 701.7000       45.88272 0.000000       0.000000 701.7000       45.88272 ?        ?        184.7619 6.072994 ?              ?        
1 1 1 9  2  -15 o 247.4696 4.636964 1255.765       46.98725 1259.000       69.21708 1253.000       63.99028 247.4708 6.837246 246.9518 6.333385 0.5189667      9.319856 
1 1 1 9  2  -14 o 141.5291 7.494754 412.7000       43.27893 412.7000       43.27893 0.000000       0.000000 141.5291 7.494754 ?        ?        ?              ?        
1 1 1 9  2  -13 o 156.2451 6.889874 502.1000       43.97166 502.1000       43.97166 0.000000       0.000000 156.2451 6.889874 ?        ?        ?              ?        
1 1 1 9  2  -12 f 362.2160 5.259120 2689.812       78.00190 2843.000       116.1574 2564.000       105.2675 372.1085 7.623472 353.4238 7.274017 18.68472       10.53701 
1 1 1 9  2  -11 o 42.06680 10.63757 37.82222       18.33177 61.82000       31.35560 25.36000       22.59577 53.74047 14.08210 36.64143 12.52909 17.09904       18.84897 
1 1 1 9  2  -10 f 506.5459 6.687374 5262.616       138.7072 5338.000       199.4457 5192.000       193.0344 509.6910 9.556377 502.7060 9.377699 6.985016       13.38901 
1 1 1 9  2  -9  o 106.9143 4.923029 234.7272       21.49440 245.3000       33.87289 227.6000       27.81102 109.0792 7.631937 105.1567 6.490486 3.922493       10.01863 
1 1 1 9  2  -8  o 378.4644 5.354245 2935.383       82.97510 2898.000       117.1624 2973.000       117.5275 375.8612 7.612660 380.7009 7.539300 -4.839661      10.71418 
1 1 1 9  2  -7  o 264.4612 4.372724 1432.792       47.35202 1456.000       68.88357 1412.000       65.19990 266.5065 6.312239 262.4614 6.066763 4.045105       8.754997 
1 1 1 9  2  -6  o 275.0694 4.432831 1550.027       49.92843 1549.000       71.59766 1551.000       69.66109 274.8910 6.360831 275.0777 6.184584 -0.1866760     8.871823 
1 1 1 9  2  -5  o 306.2372 4.657799 1921.282       58.40675 1971.000       85.09697 1877.000       80.30997 310.0669 6.702461 302.5959 6.481597 7.471008       9.323845 
1 1 1 9  2  -4  o 234.5086 4.148615 1126.499       39.83697 1105.000       57.01987 1147.000       55.67998 232.1185 6.004223 236.5780 5.747783 -4.459427      8.311901 
1 1 1 9  2  -3  f 305.9396 4.638288 1917.500       58.10557 1871.000       81.73975 1965.000       82.61462 302.1108 6.607584 309.6122 6.516500 -7.501434      9.280352 
1 1 1 9  2  -2  o 314.9371 4.705595 2031.979       60.68239 2047.000       87.40308 2018.000       84.31587 315.9921 6.755012 313.7573 6.562829 2.234802       9.418116 
1 1 1 9  2  -1  o 156.5081 3.872430 501.7125       24.81674 533.7000       37.76451 477.4000       32.92373 161.2777 5.727635 152.5497 5.278715 8.727982       7.789136 
1 1 1 9  2  0   o 410.5669 5.617559 3454.252       94.44000 3632.000       139.7878 3305.000       128.0937 420.7918 8.112928 401.4317 7.792768 19.36011       11.24930 
1 1 1 9  2  1   o 330.6608 4.841491 2240.020       65.55205 2239.000       93.62009 2241.000       91.81544 330.4698 6.918516 330.6262 6.781941 -0.1564331     9.688168 
1 1 1 9  2  2   o 334.8430 4.873602 2297.070       66.82143 2347.000       97.01344 2252.000       92.17187 338.3394 7.002531 331.4350 6.791655 6.904358       9.755102 
1 1 1 9  2  3   f 175.6043 3.838185 631.6108       27.59850 674.2000       41.80132 598.7000       36.74591 181.2963 5.637738 170.8556 5.258633 10.44069       7.709559 
1 1 1 9  2  4   o 269.8950 4.351249 1492.193       48.08761 1454.000       68.64375 1529.000       67.38601 266.3379 6.294245 273.1339 6.025177 -6.796021      8.713224 
1 1 1 9  2  5   o 150.5740 3.846924 464.6962       23.69913 456.6000       35.07122 471.5000       32.15021 149.1540 5.753165 151.6059 5.186606 -2.451981      7.745953 
1 1 1 9  2  6   o 487.1117 6.412555 4864.028       127.9040 5003.000       185.8587 4739.000       176.2877 493.6949 9.193899 480.5238 8.959478 13.17111       12.83745 
1 1 1 9  2  7   o 634.4057 8.052859 8257.063       209.1903 8459.000       302.9367 8073.000       289.2195 641.4210 11.53412 626.6752 11.27095 14.74573       16.12669 
1 1 1 9  2  8   o 383.1864 5.333243 3009.065       83.68082 3215.000       125.2444 2843.000       112.4688 395.8731 7.726413 372.2996 7.377604 23.57355       10.68300 
1 1 1 9  2  9   o 555.9337 5.846001 6335.444       133.0780 6350.427       163.4669 6306.000       229.1571 556.4167 7.174725 553.9612 10.10252 2.455505       12.39103 
1 1 1 9  2  10  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  2  11  o 326.3727 3.884892 2182.288       51.91790 2206.347       64.24509 2137.000       88.14365 328.1104 4.781845 322.7587 6.669429 5.351715       8.206541 
1 1 1 9  2  12  f 250.0348 4.079274 1281.008       41.76455 1244.000       57.95153 1321.000       60.24308 246.2973 5.746202 253.8017 5.796799 -7.504440      8.162213 
1 1 1 9  2  13  o 240.4668 5.680605 1186.000       55.93377 0.000000       0.000000 1186.000       55.93377 ?        ?        240.4668 5.680605 ?              ?        
1 1 1 9  2  14  o 174.8162 3.694438 626.2305       26.44566 622.5000       37.55514 629.9000       37.24639 174.1371 5.272958 175.1766 5.198337 -1.039459      7.404512 
1 1 1 9  2  15  o 371.7809 4.268223 2833.587       64.97685 2807.658       79.43986 2886.000       112.9430 369.9529 5.244060 374.7206 7.360837 -4.767700      9.037814 
1 1 1 9  2  16  o 238.9699 3.368233 1170.230       32.95868 1190.368       41.31817 1135.000       54.65050 240.9582 4.187695 235.1510 5.675746 5.807190       7.053431 
1 1 1 9  2  17  o 246.1164 5.904477 1244.000       59.50404 1244.000       59.50404 0.000000       0.000000 246.1164 5.904477 ?        ?        ?              ?        
1 1 1 9  2  18  o 131.8658 5.954357 358.0000       32.06783 358.0000       32.06783 0.000000       0.000000 131.8658 5.954357 ?        ?        ?              ?        
1 1 1 9  2  19  o 55.73221 8.887742 65.71739       19.60178 65.71739       19.60178 0.000000       0.000000 55.73221 8.887742 ?        ?        ?              ?        
1 1 1 9  2  20  o 210.6498 3.351742 909.8758       28.91053 909.2292       36.92527 910.9000       46.47335 210.4728 4.284530 210.4435 5.397626 0.2935791E-01  6.891412 
1 1 1 9  2  21  o 116.3936 3.735264 278.2889       17.77920 267.5220       24.68236 289.9000       25.63167 113.9233 5.305720 118.6043 5.291110 -4.681015      7.493097 
1 1 1 9  2  22  o 171.1326 3.987475 601.5345       27.94184 643.7000       46.07113 577.0000       35.14307 176.4723 6.386232 167.3517 5.134512 9.120575       8.194338 
1 1 1 9  2  23  o 124.5950 4.116180 319.5082       20.97118 284.2000       35.04789 339.2000       26.17376 116.8139 7.364767 128.2243 4.994625 -11.41038      8.898656 
1 1 1 9  2  24  o 41.87589 7.874444 37.70245       13.00682 80.24000       26.51297 24.22000       14.92645 60.64302 11.08547 33.64938 10.05938 26.99364       14.96926 
1 1 1 9  2  25  o 68.46511 4.394947 97.03423       12.25597 92.60517       18.65129 100.4000       16.25904 66.32368 6.971899 69.37563 5.775875 -3.051941      9.053624 
1 1 1 9  2  26  o 43.63273 6.339599 40.44193       10.99540 43.97863       17.42055 38.10000       14.17587 44.61359 9.804190 41.76080 8.577306 2.852787       13.02660 
1 1 1 9  2  27  o 31.95217 9.802253 22.16403       14.04599 41.02000       23.76429 12.04000       17.41314 42.49154 12.69038 27.84574 10.75946 14.64580       16.63766 
1 1 1 9  2  28  o 31.11772 8.632878 21.42727       11.38545 10.31081       14.69890 38.10000       18.00134 25.63684 9.890869 40.91344 10.64499 -15.27659      14.53083 
1 1 1 9  2  29  o 28.10215 9.918324 15.95744       14.21500 15.95744       14.21500 0.000000       0.000000 28.10215 9.918324 ?        ?        ?              ?        
1 1 1 9  2  30  o 36.94818 9.424530 31.34937       14.30194 31.34937       14.30194 0.000000       0.000000 36.94818 9.424530 ?        ?        ?              ?        
1 1 1 9  2  31  o 38.93839 8.850057 34.84065       13.78952 34.84065       13.78952 0.000000       0.000000 38.93839 8.850057 ?        ?        ?              ?        
1 1 1 9  2  32  o 60.14848 6.007268 78.14306       14.59768 78.14306       14.59768 0.000000       0.000000 60.14848 6.007268 ?        ?        ?              ?        
1 1 1 9  2  33  o 36.24654 8.976349 31.17103       13.25216 31.17103       13.25216 0.000000       0.000000 36.24654 8.976349 ?        ?        ?              ?        
1 1 1 9  2  34  o 45.28994 7.522279 47.08757       13.46087 47.08757       13.46087 0.000000       0.000000 45.28994 7.522279 ?        ?        ?              ?        
1 1 1 9  2  35  o 20.35196 8.183054 6.535400       10.43677 17.47426       11.59685 -40.08000      23.93971 26.98030 8.975715 17.95370 8.874826 9.026600       12.62244 
1 1 1 9  2  36  o 23.39703 9.977544 7.043442       16.84120 0.2939000      24.23169 13.35000       23.42301 24.38347 11.08974 27.42970 11.73387 -3.046225      16.14516 
1 1 1 9  2  37  o 18.48241 8.743466 -12.44378      17.51779 -19.42000      25.80976 -6.485000      23.85351 21.32830 10.23362 22.72533 10.57353 -1.397032      14.71484 
1 1 1 9  2  38  o 19.26385 9.009877 -7.962363      17.68811 6.698000       26.10278 -20.41000      24.05237 25.68992 11.61449 20.07585 9.694749 5.614065       15.12893 
1 1 1 9  2  39  o 33.26505 11.42091 33.26662       18.78014 41.41000       27.39856 26.05000       25.79242 34.43282 13.44268 29.77585 12.50523 4.656961       18.35991 
1 1 1 9  3  -38 o 33.30489 11.64768 33.48000       19.57330 33.48000       19.57330 0.000000       0.000000 33.30489 11.64768 ?        ?        ?              ?        
1 1 1 9  3  -37 o 42.71904 11.26424 50.81000       19.98136 50.81000       19.98136 0.000000       0.000000 42.71904 11.26424 ?        ?        ?              ?        
1 1 1 9  3  -36 o 26.51086 10.81746 14.39000       18.54723 14.39000       18.54723 0.000000       0.000000 26.51086 10.81746 ?        ?        ?              ?        
1 1 1 9  3  -35 o 17.15178 7.852767 -4.759512      12.41346 -6.353794      14.21743 0.3542000      25.46283 17.92585 8.278542 24.82408 11.32023 -6.898232      14.02433 
1 1 1 9  3  -34 o 34.09955 8.814675 28.54374       12.39702 36.92849       14.15509 0.9386000      25.68399 38.70967 9.087005 25.26669 11.46218 13.44299       14.62721 
1 1 1 9  3  -33 f 43.25857 10.37372 46.87042       18.13768 49.51000       25.43632 44.14000       25.87030 42.07767 13.23715 39.68526 13.40858 2.392418       18.84176 
1 1 1 9  3  -32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  3  -31 o 54.18894 8.503453 66.70627       18.24772 71.68000       27.13488 62.60000       24.65530 53.22013 12.64049 49.99621 12.16155 3.223919       17.54096 
1 1 1 9  3  -30 o 88.63638 5.949901 167.7005       21.46956 151.2000       35.17224 177.5000       27.10515 80.38689 10.97141 90.21043 7.402952 -9.823532      13.23539 
1 1 1 9  3  -29 o 34.96456 11.46524 27.96309       18.94401 1.758000       34.01088 39.75000       22.80999 30.94186 13.67030 40.71455 12.49163 -9.772682      18.51805 
1 1 1 9  3  -28 o 36.78220 11.45864 30.93882       19.10811 15.56000       36.90891 36.57000       22.33414 35.51382 14.93984 39.63397 12.39450 -4.120148      19.41192 
1 1 1 9  3  -27 o 39.43919 11.52591 35.49590       19.77889 -10.94000      36.68233 54.53000       23.48530 30.30367 13.72769 48.53222 11.90870 -18.22855      18.17324 
1 1 1 9  3  -26 o 46.56363 10.81102 48.87664       20.21600 -28.81000      37.66194 80.32000       23.96040 28.08169 13.13829 60.33313 10.05221 -32.25143      16.54273 
1 1 1 9  3  -25 o 69.13205 7.740827 101.6223       21.53666 48.35000       38.32982 126.2000       26.03497 46.96156 16.30742 76.88657 8.406388 -29.92501      18.34664 
1 1 1 9  3  -24 o 64.74712 10.64131 91.51000       27.23314 0.000000       0.000000 91.51000       27.23314 ?        ?        64.74712 10.64131 ?              ?        
1 1 1 9  3  -23 o 42.26142 13.57907 38.25000       26.64960 0.000000       0.000000 38.25000       26.64960 ?        ?        42.26142 13.57907 ?              ?        
1 1 1 9  3  -22 o 36.08175 12.74041 24.83798       23.45716 -17.14000      45.23294 40.28000       27.43444 34.15888 15.38016 43.43368 13.75816 -9.274803      20.63581 
1 1 1 9  3  -21 o 102.3747 6.590644 217.4526       27.48093 172.1000       49.89616 237.2000       32.92462 88.81564 14.19789 106.7181 7.583984 -17.90244      16.09649 
1 1 1 9  3  -20 o 149.5825 5.292641 460.9249       32.36627 430.8000       54.64987 477.2000       40.16883 143.6674 9.340435 151.9753 6.469737 -8.307816      11.36227 
1 1 1 9  3  -19 o 80.69019 8.075233 135.8841       26.32280 134.9000       48.29442 136.3000       31.39630 78.52201 15.57055 80.47468 9.724835 -1.952667      18.35795 
1 1 1 9  3  -18 o 88.11456 7.350436 161.1166       26.27936 222.5000       48.16650 135.1000       31.35776 102.7602 11.65257 80.19193 9.749811 22.56824       15.19346 
1 1 1 9  3  -17 o 329.7857 5.198205 2233.179       70.19556 2223.000       103.0219 2242.000       95.90298 328.4740 7.659566 330.0219 7.096840 -1.547852      10.44194 
1 1 1 9  3  -16 o 120.1078 5.728506 296.9468       28.09204 308.9000       47.95001 290.7000       34.66391 121.9109 9.685088 118.6532 7.168099 3.257675       12.04917 
1 1 1 9  3  -15 o 100.9339 7.786340 210.9000       31.93204 0.000000       0.000000 210.9000       31.93204 ?        ?        100.9339 7.786340 ?              ?        
1 1 1 9  3  -14 o 150.0280 6.199225 463.0000       38.00122 0.000000       0.000000 463.0000       38.00122 ?        ?        150.0280 6.199225 ?              ?        
1 1 1 9  3  -13 o 368.4760 7.483027 2791.000       112.9044 0.000000       0.000000 2791.000       112.9044 ?        ?        368.4760 7.483027 ?              ?        
1 1 1 9  3  -12 o 112.1799 6.682991 259.3000       30.55886 0.000000       0.000000 259.3000       30.55886 ?        ?        112.1799 6.682991 ?              ?        
1 1 1 9  3  -11 o 40.24998 11.29300 34.33441       19.36521 54.67000       33.64500 24.26000       23.68111 50.95524 15.07072 36.48105 12.80779 14.47419       19.77792 
1 1 1 9  3  -10 o 284.7646 4.658422 1662.130       54.31869 1658.000       78.10007 1666.000       75.59749 284.2354 6.710406 284.9433 6.479246 -0.7078552     9.327925 
1 1 1 9  3  -9  o 296.1833 6.779410 1800.000       82.21990 1800.000       82.21990 0.000000       0.000000 296.1833 6.779410 ?        ?        ?              ?        
1 1 1 9  3  -8  o 141.9167 6.557438 414.0000       38.00290 414.0000       38.00290 0.000000       0.000000 141.9167 6.557438 ?        ?        ?              ?        
1 1 1 9  3  -7  o 251.5386 4.342617 1296.396       44.72811 1389.000       67.01379 1222.000       60.06531 260.2578 6.288339 244.1286 6.008700 16.12920       8.697568 
1 1 1 9  3  -6  o 392.1485 5.480326 3152.040       87.99973 3125.000       124.5422 3179.000       124.3589 390.2350 7.794096 393.6013 7.716064 -3.366241      10.96748 
1 1 1 9  3  -5  o 159.4483 4.041532 521.1589       26.36575 558.8000       40.18199 492.7000       34.93896 164.9946 5.957317 154.9460 5.515673 10.04858       8.118637 
1 1 1 9  3  -4  o 248.7735 4.250999 1267.875       43.30315 1271.000       62.55357 1265.000       60.00565 248.9948 6.135324 248.4187 5.899069 0.5761108      8.511240 
1 1 1 9  3  -3  o 114.7817 4.369565 270.3011       20.49941 237.1000       31.20738 295.5000       27.18762 107.2848 7.144576 119.9478 5.550520 -12.66295      9.047277 
1 1 1 9  3  -2  o 400.7024 5.545904 3290.664       90.99525 3498.000       135.8629 3122.000       122.5394 412.9006 8.035836 390.1158 7.671102 22.78485       11.10948 
1 1 1 9  3  -1  o 125.4136 4.122636 322.5488       21.14236 327.0000       32.26698 319.2000       27.98728 126.1428 6.266618 124.6803 5.495493 1.462494       8.334924 
1 1 1 9  3  0   o 363.1616 5.157251 2702.545       76.69067 2743.000       110.5387 2665.000       106.4887 365.7025 7.381793 360.4798 7.214364 5.222656       10.32172 
1 1 1 9  3  1   o 277.4360 3.570519 1576.532       40.56192 1625.803       50.81422 1490.000       67.34054 281.7070 4.405175 269.6059 6.099902 12.10117       7.524252 
1 1 1 9  3  2   o 461.1454 5.013512 4357.466       94.66823 4391.220       116.8527 4293.000       161.4885 462.8287 6.165867 457.3465 8.623267 5.482208       10.60088 
1 1 1 9  3  3   o 323.3732 3.890007 2142.027       51.50848 2125.844       62.89086 2175.000       89.77142 322.1078 4.768281 325.6861 6.731540 -3.578278      8.249251 
1 1 1 9  3  4   o 69.96954 5.040266 100.8413       14.34389 124.6000       18.58085 65.80000       22.56544 77.74389 5.880405 55.71609 10.26923 22.02780       11.83369 
1 1 1 9  3  5   o 547.9911 7.071245 6159.266       158.6696 6456.000       233.5747 5905.000       216.2149 560.4923 10.17728 536.1044 9.849447 24.38788       14.16293 
1 1 1 9  3  6   o 405.3016 4.519626 3365.802       75.00760 3379.050       92.27520 3340.000       128.7801 406.0183 5.550281 403.4357 7.795606 2.582642       9.569592 
1 1 1 9  3  7   o 480.9775 5.176863 4741.530       101.9567 4693.627       123.9012 4842.000       179.4365 478.4129 6.324821 485.5060 9.025928 -7.093048      11.02138 
1 1 1 9  3  8   o 214.0932 3.202340 938.8489       28.07339 943.4161       34.77309 930.3000       47.57403 214.5879 3.957433 212.9552 5.460289 1.632675       6.743591 
1 1 1 9  3  9   o 60.44426 4.777593 75.34843       11.72856 78.47871       14.82428 70.11000       19.17707 61.57456 5.953786 57.83459 8.338433 3.739967       10.24583 
1 1 1 9  3  10  o 265.5244 3.491292 1444.387       37.95903 1434.351       46.67065 1464.000       65.24512 264.5558 4.308261 267.1560 5.964289 -2.600159      7.357572 
1 1 1 9  3  11  o 208.2147 3.961701 888.4087       33.77672 932.9000       50.73832 853.0000       45.26403 213.1736 5.818145 203.8700 5.427025 9.303543       7.956345 
1 1 1 9  3  12  o 211.3792 3.261374 915.4150       28.22846 886.7017       34.58691 972.7000       48.85290 207.9982 4.060951 217.6869 5.485038 -9.688721      6.824732 
1 1 1 9  3  13  o 181.9336 3.212626 678.1764       23.93301 656.5773       29.65806 718.5000       40.52325 178.9740 4.046957 187.0706 5.295556 -8.096649      6.664891 
1 1 1 9  3  14  o 39.21680 9.906401 32.95747       15.91025 13.88000       27.96296 42.09000       19.34721 34.28465 13.52165 44.26683 10.77641 -9.982185      17.29063 
1 1 1 9  3  15  o 145.1641 4.113575 432.4117       24.42672 449.3000       39.32218 421.8000       31.17019 147.7254 6.516705 143.2602 5.322862 4.465195       8.414291 
1 1 1 9  3  16  o 138.1656 4.202462 391.8582       23.74777 367.7000       38.41586 406.8000       30.21193 133.5121 7.051939 140.6756 5.254111 -7.163483      8.794062 
1 1 1 9  3  17  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  3  18  o 112.8515 4.271566 261.7043       19.70307 270.0000       30.40679 255.7000       25.86876 114.3527 6.520841 111.3875 5.690577 2.965187       8.654712 
1 1 1 9  3  19  o 125.5063 4.144720 323.6631       21.27106 326.0000       32.98785 322.0000       27.82936 125.6418 6.433446 125.0191 5.449378 0.6227417      8.431189 
1 1 1 9  3  20  o 242.1215 4.147013 1203.861       41.11433 1293.000       63.07302 1138.000       54.21582 250.4716 6.149796 235.1055 5.631692 15.36618       8.338821 
1 1 1 9  3  21  o 83.81176 4.444410 144.8275       15.19806 165.7929       22.48776 127.2000       20.62009 89.41290 6.180192 78.20477 6.497857 11.20814       8.967547 
1 1 1 9  3  22  o 20.09512 9.720434 -38.36000      24.43413 -38.36000      24.43413 0.000000       0.000000 20.09512 9.720434 ?        ?        ?              ?        
1 1 1 9  3  23  o 176.6768 4.290048 642.7644       31.03603 642.7644       31.03603 0.000000       0.000000 176.6768 4.290048 ?        ?        ?              ?        
1 1 1 9  3  24  o 87.93269 6.028316 161.1959       21.57424 161.1959       21.57424 0.000000       0.000000 87.93269 6.028316 ?        ?        ?              ?        
1 1 1 9  3  25  o 19.59458 9.139672 -15.63198      18.00040 -15.63198      18.00040 0.000000       0.000000 19.59458 9.139672 ?        ?        ?              ?        
1 1 1 9  3  26  o 22.14565 9.847313 -4.930902      17.93060 -4.930902      17.93060 0.000000       0.000000 22.14565 9.847313 ?        ?        ?              ?        
1 1 1 9  3  27  o 56.13796 8.531686 68.85783       18.99526 68.85783       18.99526 0.000000       0.000000 56.13796 8.531686 ?        ?        ?              ?        
1 1 1 9  3  28  o 30.43613 11.05055 18.46356       17.77818 18.46356       17.77818 0.000000       0.000000 30.43613 11.05055 ?        ?        ?              ?        
1 1 1 9  3  29  o 48.71441 8.915175 53.42041       17.12815 53.42041       17.12815 0.000000       0.000000 48.71441 8.915175 ?        ?        ?              ?        
1 1 1 9  3  30  o 28.24391 10.42682 16.04524       15.92936 16.04524       15.92936 0.000000       0.000000 28.24391 10.42682 ?        ?        ?              ?        
1 1 1 9  3  31  o 39.64880 8.585003 36.25932       13.53334 26.69000       18.81387 46.52000       19.48166 33.60395 11.43383 43.71638 10.91681 -10.11243      15.80852 
1 1 1 9  3  32  o 20.80861 8.452007 5.628831       11.26113 -0.1877194E-01 13.97642 16.08000       19.01281 20.21845 8.853568 28.55933 11.18395 -8.340881      14.26417 
1 1 1 9  3  33  f 24.52982 8.817226 12.99512       11.28312 -2.144840      13.83541 43.06000       19.49663 19.20213 8.586752 40.73002 11.29592 -21.52789      14.18908 
1 1 1 9  3  34  o 55.67635 5.441897 67.82198       12.24817 63.46765       14.37986 79.33000       23.37732 52.92855 6.791285 55.70567 10.63657 -2.777111      12.61975 
1 1 1 9  3  35  o 26.42107 8.926973 16.75695       11.46686 19.03215       13.19351 9.731000       23.18478 27.84575 9.572193 26.35138 11.47359 1.494368       14.94223 
1 1 1 9  3  36  o 37.21471 8.103592 33.37638       11.99780 31.23812       13.56489 41.06000       25.71393 35.17185 9.284307 36.89421 13.30444 -1.722363      16.22364 
1 1 1 9  3  37  o 28.60117 8.991555 20.68797       11.73831 14.13889       13.16163 46.15000       25.95172 24.85145 9.415314 38.02316 13.40294 -13.17171      16.37947 
1 1 1 9  3  38  o 26.40947 10.89913 16.62643       19.10346 7.394000       28.25548 24.40000       25.92717 25.79042 11.82269 29.48026 12.46787 -3.689835      17.18208 
1 1 1 9  4  -38 o 31.27318 13.27439 32.90000       29.56989 32.90000       29.56989 0.000000       0.000000 31.27318 13.27439 ?        ?        ?              ?        
1 1 1 9  4  -37 o 27.12850 9.747935 19.15221       13.78948 28.11936       15.98198 -6.970000      27.27774 31.63970 10.53723 23.04886 10.90576 8.590843       15.16472 
1 1 1 9  4  -36 o 47.10593 10.53596 58.92257       19.81254 39.01000       27.87583 79.25000       28.16472 35.15582 13.60545 51.18800 13.31358 -16.03218      19.03575 
1 1 1 9  4  -35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  4  -34 o 22.33565 9.864333 2.558407       17.69328 3.591000       24.84591 1.496000       25.20204 25.33620 11.40405 24.98633 11.34256 0.3498764      16.08434 
1 1 1 9  4  -33 o 31.33140 11.15089 25.20000       17.99976 25.20000       17.99976 0.000000       0.000000 31.33140 11.15089 ?        ?        ?              ?        
1 1 1 9  4  -32 o 40.64423 9.901855 40.85000       16.32518 40.85000       16.32518 0.000000       0.000000 40.64423 9.901855 ?        ?        ?              ?        
1 1 1 9  4  -31 o 52.92397 7.833975 63.42000       16.46485 63.42000       16.46485 0.000000       0.000000 52.92397 7.833975 ?        ?        ?              ?        
1 1 1 9  4  -30 o 15.14198 7.051902 -8.298033      10.65013 2.226259       11.99612 -47.46000      23.14070 19.89822 8.450873 17.32553 8.592854 2.572685       12.05215 
1 1 1 9  4  -29 o 37.80459 8.058650 32.35249       12.09326 21.79000       14.02555 62.96000       23.87541 30.91778 9.842417 50.94905 11.69254 -20.03127      15.28361 
1 1 1 9  4  -28 o 26.10075 8.972795 14.18471       11.59297 15.90000       13.49185 9.345000       22.66272 27.64933 9.670330 28.41027 11.81109 -0.7609386     15.26490 
1 1 1 9  4  -27 o 33.23510 8.367187 24.77045       11.37748 26.69874       13.18254 19.14000       22.52605 34.35236 9.191593 32.10533 12.28062 2.247025       15.33946 
1 1 1 9  4  -26 o 14.34448 6.801031 -12.26552      10.71197 -12.82753      12.26636 -10.46000      21.98599 15.60776 7.363278 23.11395 10.53214 -7.506192      12.85083 
1 1 1 9  4  -25 o 79.77151 4.315988 132.0246       14.04533 137.7882       16.55195 117.2000       26.54580 81.31953 4.994943 73.52695 9.004820 7.792587       10.29739 
1 1 1 9  4  -24 o 57.42030 5.518242 69.07851       12.81495 64.34419       14.96892 82.07000       24.79653 55.07656 6.780371 61.09114 10.27707 -6.014580      12.31225 
1 1 1 9  4  -23 o 48.84605 10.96331 53.03787       21.38833 26.05000       44.51116 61.14000       24.38845 42.10432 16.90961 52.29883 11.68352 -10.19452      20.55334 
1 1 1 9  4  -22 o 153.6901 3.491584 485.5979       21.97317 489.6480       27.14488 477.9000       37.42336 154.1057 4.305968 151.7324 6.035419 2.373322       7.414016 
1 1 1 9  4  -21 o 44.32325 7.586354 41.96397       13.27384 40.75947       15.60940 45.11000       25.22688 43.34745 9.085301 45.27337 12.95330 -1.925915      15.82184 
1 1 1 9  4  -20 f 30.71044 9.431917 19.76946       13.00014 26.14527       15.18889 2.305000       25.13831 34.91011 10.07077 28.93929 12.25963 5.970821       15.86566 
1 1 1 9  4  -19 o 90.97018 4.406116 170.4830       16.36386 182.6991       19.74620 143.7000       29.23793 94.07763 5.145522 82.70336 8.767109 11.37427       10.16556 
1 1 1 9  4  -18 o 199.7403 4.785625 819.9670       39.14072 729.2000       62.77405 877.7000       50.06427 187.4938 8.196331 206.3567 5.931107 -18.86293      10.11721 
1 1 1 9  4  -17 o 36.28969 9.141990 28.33804       13.57601 32.38475       15.86874 17.29000       26.22010 38.76941 9.947638 34.50060 13.23617 4.268814       16.55752 
1 1 1 9  4  -16 o 200.8882 3.482899 827.4640       28.64968 854.2571       35.58523 778.1000       48.30183 204.0396 4.259228 194.4156 6.074930 9.623947       7.419286 
1 1 1 9  4  -15 o 60.61882 7.660698 76.89000       18.59129 76.89000       18.59129 0.000000       0.000000 60.61882 7.660698 ?        ?        ?              ?        
1 1 1 9  4  -14 o 124.8940 3.714412 320.0719       18.97463 310.4919       22.84195 341.4000       34.08217 122.9401 4.545310 128.7053 6.487977 -5.765205      7.921722 
1 1 1 9  4  -13 o 298.6865 3.845997 1828.937       47.03800 1836.142       57.93537 1815.000       80.57352 299.1733 4.729297 297.1617 6.621787 2.011627       8.137218 
1 1 1 9  4  -12 o 294.7632 3.802201 1780.950       45.89155 1787.128       56.52265 1769.000       78.61151 295.1851 4.676313 293.4347 6.542599 1.750427       8.041984 
1 1 1 9  4  -11 o 95.34110 4.015169 186.6608       15.63994 188.8812       18.87706 181.8000       27.93017 95.84438 4.825504 93.75798 7.333440 2.086403       8.778658 
1 1 1 9  4  -10 o 136.2308 3.417524 380.5183       19.04882 398.7647       23.50464 345.6000       32.51553 139.4157 4.121873 129.6069 6.144358 9.808777       7.398849 
1 1 1 9  4  -9  o 206.3336 3.368326 872.2821       28.45827 887.2844       35.40608 844.9000       47.83360 208.0600 4.155897 202.8426 5.764878 5.217407       7.106708 
1 1 1 9  4  -8  o 104.5827 4.072726 224.4949       17.40758 227.5000       22.58822 220.1000       27.31628 105.1938 5.260752 103.3506 6.487547 1.843193       8.352472 
1 1 1 9  4  -7  o 62.30111 5.452967 80.20530       13.77074 69.34000       17.40692 98.38000       22.51307 57.61636 7.560468 68.71479 8.160465 -11.09843      11.12447 
1 1 1 9  4  -6  o 246.9379 3.470155 1249.245       35.08820 1243.145       43.24419 1261.000       60.03160 246.2929 4.287968 247.9463 5.912864 -1.653442      7.304014 
1 1 1 9  4  -5  o 188.8630 4.074862 730.8845       31.51260 781.0000       48.54996 694.4000       41.42448 195.0366 6.086678 183.9438 5.506007 11.09285       8.207542 
1 1 1 9  4  -4  o 79.69512 5.101466 130.7274       16.56017 130.7274       16.56017 0.000000       0.000000 79.69512 5.101466 ?        ?        ?              ?        
1 1 1 9  4  -3  o 291.2790 4.512164 1738.681       53.81687 1738.681       53.81687 0.000000       0.000000 291.2790 4.512164 ?        ?        ?              ?        
1 1 1 9  4  -2  o 330.1838 4.840178 2234.423       65.43974 2234.423       65.43974 0.000000       0.000000 330.1838 4.840178 ?        ?        ?              ?        
1 1 1 9  4  -1  o 430.7246 4.761126 3802.173       83.97186 3874.530       104.4580 3670.000       141.1792 434.6899 5.868641 422.7599 8.155538 11.93005       10.04757 
1 1 1 9  4  0   o 298.2751 3.715830 1822.607       45.38343 1817.864       55.67533 1832.000       78.34752 297.8405 4.565145 298.8636 6.402178 -1.023071      7.863106 
1 1 1 9  4  1   o 147.6089 3.171844 446.2865       19.17117 441.7894       23.74833 454.7000       32.48303 146.7919 3.954598 148.8374 5.338560 -2.045441      6.643724 
1 1 1 9  4  2   o 162.8598 3.139901 543.2698       20.93892 549.1086       26.00262 532.5000       35.31495 163.7135 3.878898 161.0799 5.361649 2.633530       6.617637 
1 1 1 9  4  3   o 312.8687 3.829499 2005.450       49.06010 2009.281       60.37106 1998.000       84.18543 313.1133 4.708720 312.0806 6.587881 1.032654       8.097668 
1 1 1 9  4  4   o 65.65356 5.856818 89.09343       15.57992 89.09343       15.57992 0.000000       0.000000 65.65356 5.856818 ?        ?        ?              ?        
1 1 1 9  4  5   o 256.2210 3.455852 1344.880       36.25721 1307.494       43.82272 1426.000       64.55244 252.5967 4.236890 263.6784 5.978796 -11.08168      7.327840 
1 1 1 9  4  6   o 149.3600 3.240010 456.9879       19.81549 451.7491       24.72252 466.4000       33.13774 148.4218 4.071752 150.7211 5.378004 -2.299362      6.745524 
1 1 1 9  4  7   o 558.7129 7.223294 6409.719       165.2526 6296.000       230.4926 6530.000       237.0503 552.9406 10.18015 563.0899 10.28107 -10.14929      14.46844 
1 1 1 9  4  8   o 270.4732 4.364370 1499.492       48.33594 1539.000       70.79858 1465.000       66.15239 273.8405 6.313969 267.2026 6.046172 6.637878       8.741990 
1 1 1 9  4  9   o 90.68402 4.997948 169.1514       18.48690 156.2000       29.74848 177.3000       23.59644 86.73386 8.484695 92.73132 6.250871 -5.997459      10.53866 
1 1 1 9  4  10  o 97.85238 3.823372 196.5376       15.28994 194.3351       19.91510 199.7000       23.86285 97.21142 5.020124 98.46146 5.946489 -1.250046      7.782184 
1 1 1 9  4  11  o 122.5245 3.423192 307.8682       17.15745 315.4794       22.16907 296.5000       27.09371 123.9663 4.374218 120.0759 5.525272 3.890381       7.047157 
1 1 1 9  4  12  o 99.00604 3.805383 201.2185       15.39839 211.3530       20.40078 187.8000       23.47451 101.3839 4.928977 95.44413 6.037461 5.939758       7.793956 
1 1 1 9  4  13  o 234.5266 3.393052 1127.261       32.58419 1178.855       41.86687 1048.000       51.89259 239.7622 4.264474 225.9302 5.609274 13.83197       7.046254 
1 1 1 9  4  14  o 226.7265 3.424279 1053.655       31.79040 1067.962       40.60599 1031.000       51.09776 228.1806 4.345973 224.0641 5.569357 4.116440       7.064363 
1 1 1 9  4  15  o 207.4396 3.349244 882.0739       28.44873 894.4898       36.40513 862.6000       45.59312 208.8165 4.257685 204.8621 5.439987 3.954376       6.908063 
1 1 1 9  4  16  o 77.25123 4.801954 122.9957       15.11455 156.9176       21.82628 91.74000       20.95097 87.12991 6.157358 66.23236 7.879478 20.89754       9.999962 
1 1 1 9  4  17  o 189.8079 3.368256 738.7982       26.17845 740.1100       34.04320 736.9000       40.95015 189.8705 4.378733 189.2669 5.289109 0.6036072      6.866438 
1 1 1 9  4  18  o 156.5136 4.524990 503.6755       28.96929 503.6755       28.96929 0.000000       0.000000 156.5136 4.524990 ?        ?        ?              ?        
1 1 1 9  4  19  o 69.78609 5.150865 100.7739       14.61510 84.09777       21.30392 115.6000       20.08744 63.10388 8.457532 74.52416 6.652560 -11.42028      10.76041 
1 1 1 9  4  20  f 33.29408 9.230124 23.85772       13.02036 45.59871       19.50942 6.397000       17.48380 45.69878 10.62749 26.02905 10.54642 19.66973       14.97232 
1 1 1 9  4  21  o 102.9324 3.875369 218.1408       16.30473 209.7880       22.54510 227.3000       23.60837 100.6543 5.490898 104.7762 5.522238 -4.121895      7.787495 
1 1 1 9  4  22  o 150.3159 4.501330 466.1832       27.67456 466.1832       27.67456 0.000000       0.000000 150.3159 4.501330 ?        ?        ?              ?        
1 1 1 9  4  23  o 47.53362 10.33884 49.93757       19.54908 49.93757       19.54908 0.000000       0.000000 47.53362 10.33884 ?        ?        ?              ?        
1 1 1 9  4  24  o 92.95142 8.140577 183.7000       30.67144 183.7000       30.67144 0.000000       0.000000 92.95142 8.140577 ?        ?        ?              ?        
1 1 1 9  4  25  o 33.33489 13.00403 18.06000       25.62370 18.06000       25.62370 0.000000       0.000000 33.33489 13.00403 ?        ?        ?              ?        
1 1 1 9  4  26  o 25.69692 10.79388 4.578100       19.22082 4.578100       19.22082 0.000000       0.000000 25.69692 10.79388 ?        ?        ?              ?        
1 1 1 9  4  27  o 46.42904 10.45586 49.59163       19.39845 49.59163       19.39845 0.000000       0.000000 46.42904 10.45586 ?        ?        ?              ?        
1 1 1 9  4  28  o 32.85120 11.05938 24.13622       17.59952 24.13622       17.59952 0.000000       0.000000 32.85120 11.05938 ?        ?        ?              ?        
1 1 1 9  4  29  o 42.95071 8.085904 41.53925       13.69911 41.53925       13.69911 0.000000       0.000000 42.95071 8.085904 ?        ?        ?              ?        
1 1 1 9  4  30  o 59.77892 7.005584 78.56207       16.82319 78.56207       16.82319 0.000000       0.000000 59.77892 7.005584 ?        ?        ?              ?        
1 1 1 9  4  31  o 39.57623 9.614234 37.59542       15.42405 37.59542       15.42405 0.000000       0.000000 39.57623 9.614234 ?        ?        ?              ?        
1 1 1 9  4  32  o 26.14136 9.893750 14.36804       14.52433 14.36804       14.52433 0.000000       0.000000 26.14136 9.893750 ?        ?        ?              ?        
1 1 1 9  4  33  o 66.36439 5.994787 97.36333       16.11498 97.36333       16.11498 0.000000       0.000000 66.36439 5.994787 ?        ?        ?              ?        
1 1 1 9  4  34  o 51.71509 6.107336 59.81232       12.68362 48.59581       15.04899 87.32000       23.56707 44.84887 8.505813 58.66381 10.17992 -13.81494      13.26573 
1 1 1 9  4  35  o 29.11916 9.349771 21.20523       12.63590 28.94476       14.73977 -0.2505000     24.54172 33.40596 9.998553 24.32445 11.10052 9.081511       14.93963 
1 1 1 9  4  36  o 19.08571 8.334531 1.736550       12.31111 2.195814       14.16462 0.3181000      24.89321 20.27296 8.894199 24.22088 11.10088 -3.947927      14.22450 
1 1 1 9  4  37  o 25.75098 9.346392 16.64787       12.71624 18.24725       14.64604 11.75000       25.62991 26.67888 9.969606 26.27451 11.72248 0.4043655      15.38862 
1 1 1 9  4  38  o 19.01113 9.046874 -11.13969      19.30341 -17.37000      28.77713 -6.043000      26.02775 21.67404 10.49970 22.46715 10.63717 -0.7931080     14.94634 
1 1 1 9  5  -37 o 18.65308 9.264194 -39.41000      27.26233 -39.41000      27.26233 0.000000       0.000000 18.65308 9.264194 ?        ?        ?              ?        
1 1 1 9  5  -36 o 17.92029 8.250607 -4.253390      13.96764 -16.31751      16.49328 26.34000       26.26473 16.76910 8.080461 30.17163 12.64190 -13.40253      15.00372 
1 1 1 9  5  -35 o 18.62452 8.418476 -2.134651      13.70536 -6.978786      16.15042 10.33000       25.90692 18.76330 8.719982 26.73565 11.86539 -7.972351      14.72500 
1 1 1 9  5  -34 o 45.26611 9.273049 50.98143       16.60931 52.83000       21.41395 48.19000       26.31437 43.67744 11.72747 39.61838 13.52144 4.059063       17.89868 
1 1 1 9  5  -33 o 32.67715 10.35596 27.90174       15.54208 22.23000       19.40857 38.04000       25.94877 29.78563 11.39774 35.82248 13.29271 -6.036844      17.51013 
1 1 1 9  5  -32 o 84.06548 5.300211 153.5592       18.15177 170.7000       23.49880 128.2000       28.58235 87.26104 6.626125 71.81633 9.989702 15.44471       11.98748 
1 1 1 9  5  -31 o 47.94073 7.445695 52.53215       14.14218 54.78000       17.77934 48.66000       23.33508 47.52563 9.468820 42.16835 12.57080 5.357273       15.73796 
1 1 1 9  5  -30 o 38.14051 8.145026 33.72410       12.33366 22.90347       14.70806 59.36000       22.63881 31.00758 10.09832 48.41936 11.57572 -17.41179      15.36142 
1 1 1 9  5  -29 o 32.29350 8.868803 24.33336       12.08453 26.24834       14.33508 19.63000       22.46578 33.27836 9.835894 31.11651 12.16544 2.161852       15.64426 
1 1 1 9  5  -28 o 28.28568 9.064797 17.92891       11.88147 19.33902       14.12675 14.52000       21.96455 29.45131 9.908325 29.46542 11.86285 -0.1411247E-01 15.45646 
1 1 1 9  5  -27 o 65.38665 6.110129 91.46264       16.16984 91.46264       16.16984 0.000000       0.000000 65.38665 6.110129 ?        ?        ?              ?        
1 1 1 9  5  -26 o 27.74365 9.839518 15.58906       14.00401 15.58906       14.00401 0.000000       0.000000 27.74365 9.839518 ?        ?        ?              ?        
1 1 1 9  5  -25 o 119.1075 3.664135 293.5584       17.84917 303.3607       22.10664 275.2000       30.25349 120.7678 4.478162 114.0258 6.506606 6.742050       7.898725 
1 1 1 9  5  -24 o 153.3819 3.429837 485.1655       21.54131 469.0230       26.53008 516.4000       36.90374 150.4345 4.311367 157.1225 5.745654 -6.688080      7.183343 
1 1 1 9  5  -23 o 86.70943 4.185129 155.6895       14.81547 155.9116       17.86359 155.2000       26.51753 86.54616 5.062876 85.45663 7.659285 1.089523       9.181359 
1 1 1 9  5  -22 o 38.54129 8.107730 32.39074       12.38918 32.17474       14.58671 32.95000       23.47168 38.17561 9.395916 39.07222 12.75900 -0.8966064     15.84536 
1 1 1 9  5  -21 o 68.64809 5.033891 97.91907       14.05162 92.02585       16.68416 112.3000       26.06284 66.27976 6.220197 72.46040 8.975847 -6.180641      10.92047 
1 1 1 9  5  -20 o 47.53083 6.947668 47.91337       13.12250 47.61992       15.32472 48.72000       25.40729 47.06840 8.252005 46.77682 12.86493 0.2915802      15.28404 
1 1 1 9  5  -19 o 14.33690 6.947151 -20.78830      12.61954 -20.33193      14.62287 -22.12000      24.97915 16.12971 7.729633 23.07463 10.76413 -6.944918      13.25193 
1 1 1 9  5  -18 o 29.05159 9.774824 16.63391       13.74862 19.93199       16.24282 8.300000       25.81997 31.66331 10.62430 31.08276 12.73256 0.5805492      16.58294 
1 1 1 9  5  -17 o 104.6375 4.235003 225.3369       18.10787 256.3203       22.32146 165.7000       30.96819 111.5163 4.900288 88.90614 8.614491 22.61012       9.910716 
1 1 1 9  5  -16 f 93.16814 4.532916 178.7595       17.24107 177.5532       20.69052 181.5000       31.18603 92.72866 5.473548 93.26107 8.251541 -0.5324097     9.901902 
1 1 1 9  5  -15 o 184.7620 4.432212 700.9410       33.53185 700.9410       33.53185 0.000000       0.000000 184.7620 4.432212 ?        ?        ?              ?        
1 1 1 9  5  -14 o 201.8865 3.531911 835.8181       29.19721 831.1898       35.80765 845.0000       50.43467 201.2431 4.345405 202.5798 6.086974 -1.336700      7.478890 
1 1 1 9  5  -13 o 196.3242 3.511594 790.2450       28.22946 793.5236       34.95819 784.1000       47.85957 196.6570 4.341252 195.2025 5.994792 1.454575       7.401622 
1 1 1 9  5  -12 o 262.5954 3.688569 1413.804       39.66153 1382.146       48.34118 1479.000       69.37256 259.5423 4.548672 268.2121 6.316623 -8.669769      7.783967 
1 1 1 9  5  -11 o 253.6443 3.614442 1318.848       37.53970 1321.891       46.28669 1313.000       64.16931 253.8536 4.452955 252.7710 6.199772 1.082642       7.633216 
1 1 1 9  5  -10 o 105.6262 4.010813 229.0826       17.31565 228.0459       21.13387 231.2000       30.20245 105.3104 4.914540 105.8027 7.010963 -0.4923019     8.561911 
1 1 1 9  5  -9  f 199.8431 3.391495 818.4514       27.75267 807.6826       33.88370 840.4000       48.37382 198.4750 4.169276 202.2285 5.847900 -3.753464      7.181978 
1 1 1 9  5  -8  o 195.0278 3.365340 779.4330       26.87509 760.1581       32.64118 820.0000       47.35406 192.5568 4.139831 199.7788 5.794856 -7.221970      7.121696 
1 1 1 9  5  -7  o 270.8135 3.633327 1503.045       40.29018 1498.644       49.20514 1512.000       70.18590 270.3492 4.444889 271.3432 6.316936 -0.9939880     7.724034 
1 1 1 9  5  -6  o 411.2341 4.634671 3467.807       78.04272 3417.967       94.45920 3575.000       138.5286 408.1121 5.652497 416.8660 8.115563 -8.753906      9.890050 
1 1 1 9  5  -5  o 298.5281 3.779477 1826.416       46.19994 1801.285       56.16544 1879.000       81.24271 296.3930 4.627823 302.4907 6.559157 -6.097626      8.027409 
1 1 1 9  5  -4  o 227.6331 3.394178 1061.700       31.63694 1060.535       38.83736 1064.000       54.54438 227.4633 4.169787 227.6305 5.856740 -0.1672211     7.189474 
1 1 1 9  5  -3  o 218.9456 3.370391 982.1802       30.21628 994.0557       37.47103 960.1000       51.09422 220.2225 4.155367 216.2377 5.775703 3.984787       7.115183 
1 1 1 9  5  -2  o 118.7864 6.034644 290.3000       29.25618 0.000000       0.000000 290.3000       29.25618 ?        ?        118.7864 6.034644 ?              ?        
1 1 1 9  5  -1  o 124.5538 5.840851 319.0000       29.70613 0.000000       0.000000 319.0000       29.70613 ?        ?        124.5538 5.840851 ?              ?        
1 1 1 9  5  0   o 214.7899 5.663808 947.1000       49.77002 0.000000       0.000000 947.1000       49.77002 ?        ?        214.7899 5.663808 ?              ?        
1 1 1 9  5  1   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  5  2   o 214.6395 3.338395 943.8923       29.34078 989.7592       37.21983 868.6000       47.68706 219.7508 4.136371 205.6857 5.667429 14.06506       7.016361 
1 1 1 9  5  3   o 395.8921 5.518497 3215.266       89.45859 3215.266       89.45859 0.000000       0.000000 395.8921 5.518497 ?        ?        ?              ?        
1 1 1 9  5  4   o 460.1282 6.182494 4345.778       116.4842 4345.778       116.4842 0.000000       0.000000 460.1282 6.182494 ?        ?        ?              ?        
1 1 1 9  5  5   o 299.0779 4.641678 1834.083       56.84389 1834.083       56.84389 0.000000       0.000000 299.0779 4.641678 ?        ?        ?              ?        
1 1 1 9  5  6   o 276.9812 3.639752 1572.230       41.28065 1581.594       51.28645 1555.000       69.56567 277.7329 4.509734 275.2093 6.173158 2.523560       7.644970 
1 1 1 9  5  7   o 198.2312 3.323379 805.2003       26.97592 805.7807       33.91121 804.2000       44.51685 198.2542 4.177308 197.8875 5.499243 0.3667297      6.905909 
1 1 1 9  5  8   o 200.4970 3.318799 823.7411       27.24667 824.4584       34.22695 822.5000       45.01949 200.5336 4.168278 200.1181 5.499228 0.4155426      6.900438 
1 1 1 9  5  9   f 216.9639 3.352288 964.6724       29.78196 962.2508       37.19273 969.0000       49.71923 216.6337 4.192833 217.1955 5.595140 -0.5617981     6.991813 
1 1 1 9  5  10  o 117.0564 3.677558 281.1531       17.60517 266.3479       22.84564 302.8000       27.62452 113.8289 4.913038 121.3157 5.575917 -7.486755      7.431608 
1 1 1 9  5  11  o 244.2629 3.476999 1222.977       34.77655 1240.078       43.85404 1194.000       57.08439 245.8828 4.355690 241.1027 5.782171 4.780167       7.239167 
1 1 1 9  5  12  o 31.09565 9.631689 19.91257       13.52231 28.97773       19.20511 11.00000       19.04280 37.34224 11.46308 28.92936 11.23157 8.412872       16.04837 
1 1 1 9  5  13  o 134.1592 3.560367 369.2973       19.54139 359.6363       25.92865 382.0000       29.73141 132.2741 4.795125 136.2668 5.338784 -3.992676      7.176060 
1 1 1 9  5  14  o 75.38329 4.972618 117.2198       15.26343 128.9837       21.84590 106.0000       21.33468 78.84372 6.834150 71.32457 7.413051 7.519150       10.08261 
1 1 1 9  5  15  o 169.6102 3.372577 589.9692       23.42277 612.1063       30.88489 560.0000       35.93541 172.6092 4.373283 164.9540 5.327276 7.655212       6.892421 
1 1 1 9  5  16  f 81.46036 4.717710 136.8277       15.66895 129.2536       22.23468 144.3000       22.08456 78.83043 6.959719 83.40133 6.518577 -4.570900      9.535697 
1 1 1 9  5  17  o 110.6735 3.858553 251.8258       17.45934 231.9450       23.52574 276.2000       26.04908 105.9864 5.439057 115.6670 5.515841 -9.680618      7.746473 
1 1 1 9  5  18  o 89.90331 6.072893 167.6569       22.22490 167.6569       22.22490 0.000000       0.000000 89.90331 6.072893 ?        ?        ?              ?        
1 1 1 9  5  19  o 152.1822 4.454926 477.1316       27.73070 477.1316       27.73070 0.000000       0.000000 152.1822 4.454926 ?        ?        ?              ?        
1 1 1 9  5  20  o 66.55422 7.779468 93.63334       20.80121 93.63334       20.80121 0.000000       0.000000 66.55422 7.779468 ?        ?        ?              ?        
1 1 1 9  5  21  o 175.4868 4.353090 635.0427       31.27999 635.0427       31.27999 0.000000       0.000000 175.4868 4.353090 ?        ?        ?              ?        
1 1 1 9  5  22  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  5  23  o 77.10616 6.782317 125.5293       21.19570 125.5293       21.19570 0.000000       0.000000 77.10616 6.782317 ?        ?        ?              ?        
1 1 1 9  5  24  o 42.04245 10.99138 40.28096       19.13113 40.28096       19.13113 0.000000       0.000000 42.04245 10.99138 ?        ?        ?              ?        
1 1 1 9  5  25  o 115.0262 4.981467 276.2661       23.40709 276.2661       23.40709 0.000000       0.000000 115.0262 4.981467 ?        ?        ?              ?        
1 1 1 9  5  26  o 84.72095 5.934798 152.0488       20.45811 152.0488       20.45811 0.000000       0.000000 84.72095 5.934798 ?        ?        ?              ?        
1 1 1 9  5  27  o 51.58776 8.944856 60.07519       18.21037 60.07519       18.21037 0.000000       0.000000 51.58776 8.944856 ?        ?        ?              ?        
1 1 1 9  5  28  o 61.67828 7.426372 83.75600       18.37876 83.75600       18.37876 0.000000       0.000000 61.67828 7.426372 ?        ?        ?              ?        
1 1 1 9  5  29  o 30.30292 10.57864 20.76957       16.14093 20.76957       16.14093 0.000000       0.000000 30.30292 10.57864 ?        ?        ?              ?        
1 1 1 9  5  30  o 57.99326 12.63742 87.18000       29.15964 87.18000       29.15964 0.000000       0.000000 57.99326 12.63742 ?        ?        ?              ?        
1 1 1 9  5  31  o 38.75579 14.41508 43.61000       30.54945 43.61000       30.54945 0.000000       0.000000 38.75579 14.41508 ?        ?        ?              ?        
1 1 1 9  5  32  o 25.54050 9.927200 13.73172       14.88974 13.73172       14.88974 0.000000       0.000000 25.54050 9.927200 ?        ?        ?              ?        
1 1 1 9  5  33  o 40.03598 9.661976 40.69215       15.65685 40.69215       15.65685 0.000000       0.000000 40.03598 9.661976 ?        ?        ?              ?        
1 1 1 9  5  34  o 20.98557 9.599161 -3.735000      18.49206 -3.735000      18.49206 0.000000       0.000000 20.98557 9.599161 ?        ?        ?              ?        
1 1 1 9  5  35  o 18.37557 8.769057 -14.83000      18.40050 -14.83000      18.40050 0.000000       0.000000 18.37557 8.769057 ?        ?        ?              ?        
1 1 1 9  5  36  o 23.75052 10.40744 7.954000       19.34258 7.954000       19.34258 0.000000       0.000000 23.75052 10.40744 ?        ?        ?              ?        
1 1 1 9  5  37  o 24.35275 9.481962 14.25038       13.60255 10.98333       16.13422 22.28000       25.29400 23.52595 9.886088 28.42930 12.17821 -4.903349      15.68577 
1 1 1 9  6  -36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  6  -35 f 18.47431 8.490054 -3.642193      14.69565 -6.850500      17.55689 3.866000       26.85823 19.20481 8.980350 24.79555 11.42504 -5.590742      14.53197 
1 1 1 9  6  -34 o 26.05754 9.829366 16.22965       14.30857 27.02529       17.02288 -9.760000      26.41247 31.42703 10.86998 22.76381 10.75907 8.663223       15.29425 
1 1 1 9  6  -33 o 87.81255 4.824537 166.5397       17.28083 164.8302       20.75740 170.4000       31.19263 86.24792 5.913380 83.26392 9.308001 2.983994       11.02755 
1 1 1 9  6  -32 o 39.41457 9.151117 38.69381       14.48479 28.39076       17.18717 63.95000       26.90949 32.68074 10.92826 46.24094 13.42406 -13.56020      17.30988 
1 1 1 9  6  -31 o 31.06230 9.729239 24.39835       13.75604 13.05053       16.52485 50.01000       24.82562 25.62944 10.29963 41.23542 13.09082 -15.60598      16.65689 
1 1 1 9  6  -30 o 17.75907 8.065033 -4.169452      12.75763 -7.897230      15.54048 3.535000       22.34140 18.60145 8.613260 24.95886 11.05077 -6.357405      14.01098 
1 1 1 9  6  -29 o 26.55906 9.366547 15.68395       12.67551 3.487234       15.58909 39.48000       21.77467 22.23862 9.544098 38.75719 12.25464 -16.51857      15.53274 
1 1 1 9  6  -28 o 96.65736 4.102660 196.0452       16.20078 194.4650       19.95606 199.1000       27.74563 95.62618 5.115130 95.07645 7.179904 0.5497360      8.815644 
1 1 1 9  6  -27 o 53.12457 6.277439 61.26759       13.39187 69.03594       16.62868 46.93000       22.59078 55.80830 7.463650 43.26041 12.21834 12.54788       14.31760 
1 1 1 9  6  -26 o 53.40099 6.457747 61.73473       13.83418 79.56000       18.23304 37.55000       21.23791 60.13996 7.571528 39.33795 12.05052 20.80201       14.23177 
1 1 1 9  6  -25 o 32.67640 9.276947 24.31036       12.98899 20.73000       16.75063 29.71000       20.57077 31.01901 10.77983 35.93184 11.95432 -4.912825      16.09690 
1 1 1 9  6  -24 o 90.19392 4.123348 169.1647       15.18802 166.8875       19.17399 173.0000       24.88328 89.14702 5.276283 90.03731 6.799585 -0.8902893     8.606597 
1 1 1 9  6  -23 o 53.93834 6.036206 61.76077       13.10335 76.00858       16.71002 39.01000       21.11547 59.57000 6.982939 41.07998 11.88118 18.49002       13.78128 
1 1 1 9  6  -22 o 53.06112 6.447508 59.85756       13.72138 66.49344       17.04515 47.64000       23.12830 55.55111 7.700284 45.46160 12.17963 10.08952       14.40964 
1 1 1 9  6  -21 o 71.53819 6.066218 107.4544       17.60232 107.4544       17.60232 0.000000       0.000000 71.53819 6.066218 ?        ?        ?              ?        
1 1 1 9  6  -20 o 61.63327 6.871559 80.28214       17.04721 80.28214       17.04721 0.000000       0.000000 61.63327 6.871559 ?        ?        ?              ?        
1 1 1 9  6  -19 o 118.2160 3.789110 287.9744       18.31793 296.7448       22.95568 272.6000       30.39323 119.8009 4.688620 114.2900 6.521545 5.510880       8.032043 
1 1 1 9  6  -18 o 105.8531 4.061217 230.9745       17.57024 219.4676       21.89265 251.8000       29.45226 102.9510 5.210235 109.9381 6.572538 -6.987068      8.387181 
1 1 1 9  6  -17 o 19.36459 8.560963 -3.888816      13.35937 -6.852204      16.39295 1.971000       23.05180 20.78447 9.316626 27.62809 11.72351 -6.843616      14.97465 
1 1 1 9  6  -16 o 92.06654 4.450778 174.7944       16.72914 178.1961       20.76322 168.5000       28.24392 92.78821 5.489369 89.73055 7.763351 3.057655       9.508039 
1 1 1 9  6  -15 o 63.48832 6.099901 83.93520       15.66283 90.31160       19.40358 72.01000       26.53548 65.63938 7.345058 57.49604 11.67023 8.143345       13.78928 
1 1 1 9  6  -14 o 128.8087 3.824270 340.9297       20.14824 323.0233       24.88593 375.0000       34.32705 125.2356 4.862141 134.7006 6.240572 -9.464966      7.911078 
1 1 1 9  6  -13 o 108.6146 4.135096 242.5646       18.35711 261.8343       23.17332 210.1000       30.07852 112.7397 5.032490 100.5889 7.353481 12.15084       8.910647 
1 1 1 9  6  -12 o 211.3628 3.532685 916.3294       30.57439 950.6906       38.61596 858.6000       50.05315 215.1825 4.382637 204.1573 5.993943 11.02524       7.425285 
1 1 1 9  6  -11 o 102.1148 4.241963 214.3648       17.69838 199.7393       21.92772 241.7000       29.97781 98.42735 5.462100 108.1101 6.806427 -9.682709      8.727083 
1 1 1 9  6  -10 o 102.9077 5.637305 218.2919       23.66365 222.9000       40.48125 215.9000       29.16570 103.3218 9.681116 102.1507 7.015383 1.171013       11.95574 
1 1 1 9  6  -9  o 98.20367 5.742689 198.8441       22.99154 195.0000       38.94884 200.9000       28.48368 96.55731 9.995480 98.52902 7.107819 -1.971710      12.26502 
1 1 1 9  6  -8  o 16.81082 8.204656 -34.26308      18.48112 -39.85000      33.94849 -31.91000      22.03191 25.61445 12.13350 19.66508 9.440675 5.949371       15.37362 
1 1 1 9  6  -7  o 70.02096 7.344669 102.0124       20.74533 101.0000       36.38634 102.5000       25.25154 68.48331 13.45580 69.90599 9.032556 -1.422684      16.20635 
1 1 1 9  6  -6  o 238.7901 3.508524 1168.783       34.30561 1173.059       42.70161 1161.000       57.61127 239.1505 4.360623 237.7379 5.918132 1.412613       7.351144 
1 1 1 9  6  -5  f 87.48078 4.529809 157.3963       16.17094 173.8250       20.88454 132.8000       25.55392 91.84288 5.579673 79.92461 7.911944 11.91827       9.681509 
1 1 1 9  6  -4  o 291.1933 4.686050 1739.434       55.87439 1785.000       83.19933 1702.000       75.41026 294.6469 6.895941 287.7996 6.399056 6.847321       9.407546 
1 1 1 9  6  -3  o 230.7802 3.481573 1091.567       32.90020 1094.681       41.08198 1086.000       54.93667 231.0413 4.342475 229.8973 5.840579 1.143982       7.278011 
1 1 1 9  6  -2  o 309.8062 3.875529 1967.580       49.16381 1975.329       60.84268 1953.000       83.45345 310.3109 4.788361 308.2787 6.611140 2.032196       8.163061 
1 1 1 9  6  -1  o 158.6074 3.363150 515.5319       21.84209 513.6846       27.32685 518.8000       36.34625 158.2235 4.221650 158.8778 5.595651 -0.6542664     7.009539 
1 1 1 9  6  0   o 193.0254 3.340173 763.5365       26.40023 771.3007       32.98595 749.7000       44.03446 193.9547 4.153404 191.0210 5.635888 2.933746       7.000999 
1 1 1 9  6  1   o 202.0481 3.979072 836.9197       32.92009 816.0000       46.14594 858.6000       46.97729 199.2912 5.660581 204.4366 5.617158 -5.145340      7.974626 
1 1 1 9  6  2   o 92.81394 4.292444 177.0221       16.26914 178.1735       21.01538 175.3000       25.70175 93.00176 5.543664 92.09457 6.864985 0.9071884      8.823845 
1 1 1 9  6  3   o 170.6868 3.971937 597.2986       27.76046 615.3000       39.89460 580.4000       38.65326 173.0281 5.638367 168.0456 5.625319 4.982529       7.964634 
1 1 1 9  6  4   o 68.98075 6.148104 98.51631       17.18395 117.9000       25.63550 82.70000       23.15668 75.17860 8.475192 62.64956 9.309358 12.52905       12.58940 
1 1 1 9  6  5   f 84.37401 5.284698 146.6939       18.16631 139.9000       27.29010 152.1000       24.34371 82.00251 8.238960 85.71804 6.996505 -3.715530      10.80886 
1 1 1 9  6  6   o 217.8857 4.098690 973.5167       36.56774 1012.000       54.07997 941.1000       49.63469 221.8749 5.957954 213.9975 5.669373 7.877411       8.224294 
1 1 1 9  6  7   o 474.6189 6.331425 4630.499       123.0470 4771.000       179.1401 4505.000       169.3054 480.7404 9.100343 467.2516 8.849031 13.48877       12.69337 
1 1 1 9  6  8   o 145.5801 3.536323 434.4801       21.08037 452.1026       28.04729 411.6000       31.95845 148.3625 4.622454 141.4539 5.528195 6.908585       7.206110 
1 1 1 9  6  9   o 253.7556 3.575633 1320.220       37.15292 1314.652       46.54247 1330.000       61.68353 253.1156 4.490619 254.3772 5.921976 -1.261612      7.432056 
1 1 1 9  6  10  o 111.9796 4.007536 257.5529       18.34594 266.3864       24.23649 245.7000       28.07481 113.7614 5.216843 109.1063 6.311023 4.655090       8.188068 
1 1 1 9  6  11  o 144.9636 4.650411 431.9196       27.56846 431.9196       27.56846 0.000000       0.000000 144.9636 4.650411 ?        ?        ?              ?        
1 1 1 9  6  12  o 294.2276 4.751969 1778.312       57.25079 1778.312       57.25079 0.000000       0.000000 294.2276 4.751969 ?        ?        ?              ?        
1 1 1 9  6  13  o 221.2299 4.375596 1005.226       39.63742 1005.226       39.63742 0.000000       0.000000 221.2299 4.375596 ?        ?        ?              ?        
1 1 1 9  6  14  o 291.7463 4.763864 1750.118       56.91006 1750.118       56.91006 0.000000       0.000000 291.7463 4.763864 ?        ?        ?              ?        
1 1 1 9  6  15  o 128.2974 5.077258 339.4029       26.62031 339.4029       26.62031 0.000000       0.000000 128.2974 5.077258 ?        ?        ?              ?        
1 1 1 9  6  16  o 138.2654 4.837487 394.1496       27.34565 394.1496       27.34565 0.000000       0.000000 138.2654 4.837487 ?        ?        ?              ?        
1 1 1 9  6  17  o 52.09900 10.11927 58.98130       20.80925 58.98130       20.80925 0.000000       0.000000 52.09900 10.11927 ?        ?        ?              ?        
1 1 1 9  6  18  o 122.0253 5.141181 308.0201       25.63086 308.0201       25.63086 0.000000       0.000000 122.0253 5.141181 ?        ?        ?              ?        
1 1 1 9  6  19  o 65.09052 8.108182 90.16695       21.14330 90.16695       21.14330 0.000000       0.000000 65.09052 8.108182 ?        ?        ?              ?        
1 1 1 9  6  20  o 72.17347 6.947070 109.8189       20.27736 109.8189       20.27736 0.000000       0.000000 72.17347 6.947070 ?        ?        ?              ?        
1 1 1 9  6  21  o 79.79739 10.21360 139.1000       32.60865 139.1000       32.60865 0.000000       0.000000 79.79739 10.21360 ?        ?        ?              ?        
1 1 1 9  6  22  o 100.8340 5.359455 212.2755       22.04902 212.2755       22.04902 0.000000       0.000000 100.8340 5.359455 ?        ?        ?              ?        
1 1 1 9  6  23  o 45.57810 10.07986 47.04421       18.31223 47.04421       18.31223 0.000000       0.000000 45.57810 10.07986 ?        ?        ?              ?        
1 1 1 9  6  24  o 97.03900 5.376846 197.8300       21.28125 197.8300       21.28125 0.000000       0.000000 97.03900 5.376846 ?        ?        ?              ?        
1 1 1 9  6  25  o 98.20746 5.265817 203.0713       21.09812 203.0713       21.09812 0.000000       0.000000 98.20746 5.265817 ?        ?        ?              ?        
1 1 1 9  6  26  o 27.58646 11.58599 8.179000       22.14068 8.179000       22.14068 0.000000       0.000000 27.58646 11.58599 ?        ?        ?              ?        
1 1 1 9  6  27  o 57.50503 9.986869 77.34000       22.66308 77.34000       22.66308 0.000000       0.000000 57.50503 9.986869 ?        ?        ?              ?        
1 1 1 9  6  28  o 24.29861 10.68720 1.176000       20.56887 1.176000       20.56887 0.000000       0.000000 24.29861 10.68720 ?        ?        ?              ?        
1 1 1 9  6  29  o 63.26921 7.233151 89.64639       18.40256 89.64639       18.40256 0.000000       0.000000 63.26921 7.233151 ?        ?        ?              ?        
1 1 1 9  6  30  o 25.69032 10.21880 12.71145       16.09801 12.71145       16.09801 0.000000       0.000000 25.69032 10.21880 ?        ?        ?              ?        
1 1 1 9  6  31  o 66.74837 6.534637 100.1109       17.63164 100.1109       17.63164 0.000000       0.000000 66.74837 6.534637 ?        ?        ?              ?        
1 1 1 9  6  32  o 30.42806 11.65492 23.64000       20.30747 23.64000       20.30747 0.000000       0.000000 30.42806 11.65492 ?        ?        ?              ?        
1 1 1 9  6  33  o 19.48866 8.944372 -4.875644      16.23670 -4.875644      16.23670 0.000000       0.000000 19.48866 8.944372 ?        ?        ?              ?        
1 1 1 9  6  34  o 17.91028 8.472715 -11.35372      16.44882 -11.35372      16.44882 0.000000       0.000000 17.91028 8.472715 ?        ?        ?              ?        
1 1 1 9  6  35  f 22.84426 11.03810 -16.44000      31.29249 -16.44000      31.29249 0.000000       0.000000 22.84426 11.03810 ?        ?        ?              ?        
1 1 1 9  6  36  o 21.23258 10.41004 -26.25000      30.77645 -26.25000      30.77645 0.000000       0.000000 21.23258 10.41004 ?        ?        ?              ?        
1 1 1 9  7  -34 o 16.94655 8.031875 -10.31644      14.91448 -8.016409      17.68553 -15.98000      27.75209 18.95839 8.912183 21.69903 10.46246 -2.740648      13.74373 
1 1 1 9  7  -33 o 27.86687 10.63756 19.90794       16.87908 8.248000       21.02625 41.04000       28.30639 24.61363 10.81626 35.17364 13.68302 -10.56001      17.44181 
1 1 1 9  7  -32 o 29.96746 10.08280 23.14583       14.62862 11.11207       17.21220 54.45000       27.76111 24.82384 10.30438 41.38770 13.88957 -16.56386      17.29452 
1 1 1 9  7  -31 o 30.29436 9.942999 23.37966       14.24619 25.49891       16.92559 18.23000       26.38412 31.22672 10.83689 29.40102 12.51153 1.825699       16.55224 
1 1 1 9  7  -30 o 59.03835 6.207091 77.93836       14.78118 56.66720       17.68684 127.2000       26.91591 47.78435 9.374426 72.02938 9.346027 -24.24503      13.23737 
1 1 1 9  7  -29 o 48.36230 9.201227 57.03371       17.55563 57.03371       17.55563 0.000000       0.000000 48.36230 9.201227 ?        ?        ?              ?        
1 1 1 9  7  -28 o 106.1349 4.531434 239.2937       19.64797 222.3000       26.90899 258.7000       28.75569 100.2946 6.588813 108.3081 6.514038 -8.013466      9.265265 
1 1 1 9  7  -27 o 53.63006 6.435491 63.24951       13.85040 59.57367       17.72098 69.02000       22.20319 50.52763 8.889581 53.19262 10.56646 -2.664986      13.80850 
1 1 1 9  7  -26 o 71.48257 5.095449 108.6662       14.81665 112.4613       19.07943 102.9000       23.51766 71.86774 6.555557 67.20435 8.754051 4.663391       10.93658 
1 1 1 9  7  -25 o 21.90677 8.934872 5.763198       12.64657 8.669488       16.21431 1.249000       20.20782 24.98458 10.14420 24.43697 10.67458 0.5476074      14.72588 
1 1 1 9  7  -24 f 21.45422 8.862204 4.459425       12.64578 -8.698993      16.53325 23.01000       19.63066 19.71290 9.039271 32.47530 11.63536 -12.76240      14.73397 
1 1 1 9  7  -23 o 38.29566 8.637262 33.16182       13.22027 31.59430       17.40421 35.30000       20.32675 36.85247 10.82344 38.69331 11.77677 -1.840839      15.99498 
1 1 1 9  7  -22 o 16.69202 7.713903 -8.852622      12.37433 -3.306532      16.05040 -16.98000      19.42977 21.10234 9.353711 19.96991 9.373056 1.132427       13.24183 
1 1 1 9  7  -21 o 29.60796 9.500969 18.89761       13.04929 27.64739       16.91773 6.045000       20.50402 35.11112 10.75518 26.82225 11.19923 8.288870       15.52729 
1 1 1 9  7  -20 o 47.45574 7.711175 48.84247       14.47028 53.14000       19.84169 43.96000       21.14895 48.61639 10.28850 43.79428 11.60790 4.822102       15.51117 
1 1 1 9  7  -19 o 67.97858 5.862479 96.98593       16.15912 104.0000       22.17232 89.04000       23.59928 69.73883 7.903662 63.94764 9.283658 5.791187       12.19238 
1 1 1 9  7  -18 o 142.7284 5.851767 424.3000       34.12713 0.000000       0.000000 424.3000       34.12713 ?        ?        142.7284 5.851767 ?              ?        
1 1 1 9  7  -17 o 161.3468 4.593873 537.9499       30.31945 481.1000       48.26802 575.0000       38.96631 151.2490 7.820234 166.3924 5.727688 -15.14340      9.693424 
1 1 1 9  7  -16 o 65.68996 8.065064 91.63882       21.23887 89.73000       38.89178 92.45000       25.35322 62.49150 15.31928 65.45866 9.756505 -2.967152      18.16232 
1 1 1 9  7  -15 o 85.13845 11.85365 157.5000       40.20494 157.5000       40.20494 0.000000       0.000000 85.13845 11.85365 ?        ?        ?              ?        
1 1 1 9  7  -14 o 35.43804 11.43122 26.12220       18.87337 26.12220       18.87337 0.000000       0.000000 35.43804 11.43122 ?        ?        ?              ?        
1 1 1 9  7  -13 o 120.4240 4.044692 298.4539       19.91619 312.3599       25.05773 274.6000       32.81865 123.0372 4.984029 114.9022 7.008718 8.135002       8.600156 
1 1 1 9  7  -12 o 170.7895 3.571319 598.9041       24.97550 591.6378       31.31744 611.6000       41.39639 169.5465 4.515021 172.0720 5.883928 -2.525513      7.416605 
1 1 1 9  7  -11 o 165.9867 3.631833 565.5862       24.68446 531.6472       30.89472 625.5000       41.04848 160.7176 4.699624 174.1118 5.765592 -13.39418      7.438313 
1 1 1 9  7  -10 o 104.8365 4.322567 226.1637       18.51596 202.0494       23.39433 266.6000       30.29417 98.87202 5.803996 113.4864 6.546938 -14.61435      8.749215 
1 1 1 9  7  -9  o 201.0251 3.538774 829.0907       29.12913 798.2609       35.98388 887.7000       49.61418 197.1315 4.457873 207.5547 5.843610 -10.42328      7.349857 
1 1 1 9  7  -8  o 207.9113 3.530015 886.7112       30.05239 919.2305       38.15928 833.6000       48.76664 211.5767 4.404613 201.1529 5.927152 10.42381       7.384562 
1 1 1 9  7  -7  o 34.35094 10.28870 24.80137       15.60345 23.84701       20.55217 26.10000       23.97419 35.07800 11.95011 37.09518 12.89610 -2.017181      17.58165 
1 1 1 9  7  -6  o 266.7331 3.702205 1459.332       40.43541 1447.946       49.94261 1481.000       68.89304 265.5578 4.592909 268.2413 6.272277 -2.683563      7.774077 
1 1 1 9  7  -5  o 122.5734 3.914136 308.5194       19.62003 293.6402       24.74691 333.7000       32.19319 119.4556 5.070833 127.2046 6.199356 -7.749031      8.009080 
1 1 1 9  7  -4  o 222.5528 3.512825 1015.600       32.01208 1043.091       40.54552 970.1000       52.16190 225.4480 4.392098 217.1353 5.872153 8.312714       7.332988 
1 1 1 9  7  -3  o 229.2465 3.539349 1077.582       33.22390 1083.020       41.59604 1068.000       55.21735 229.7278 4.421952 227.8422 5.923599 1.885620       7.392069 
1 1 1 9  7  -2  o 295.1441 3.824689 1786.524       46.22263 1842.417       58.42433 1693.000       75.57442 299.5839 4.762673 286.8647 6.433885 12.71924       8.004869 
1 1 1 9  7  -1  o 48.76329 7.736849 50.20382       14.93308 69.71020       20.15624 26.47000       22.23335 57.43986 8.853942 36.83022 12.43040 20.60963       15.26130 
1 1 1 9  7  0   o 116.3678 3.897053 278.0399       18.54301 272.4457       24.07413 286.2000       29.07583 115.0690 5.122213 117.8304 6.046516 -2.761337      7.924483 
1 1 1 9  7  1   o 155.8279 3.465723 497.8428       22.11380 515.7524       28.63968 471.4000       34.79997 158.4757 4.417790 151.3569 5.624816 7.118729       7.152302 
1 1 1 9  7  2   o 228.9742 3.488003 1074.950       32.70301 1097.302       41.43017 1038.000       53.26744 231.2478 4.375369 224.6483 5.795582 6.599487       7.261724 
1 1 1 9  7  3   o 281.1799 4.671885 1622.914       53.78990 1622.914       53.78990 0.000000       0.000000 281.1799 4.671885 ?        ?        ?              ?        
1 1 1 9  7  4   o 121.7259 3.817436 304.2054       19.00387 289.2904       24.68672 325.9000       29.77341 118.5706 5.096561 125.7738 5.796732 -7.203247      7.718616 
1 1 1 9  7  5   o 247.9884 3.563606 1261.150       36.18641 1291.201       45.93535 1212.000       58.74687 250.8078 4.472822 242.7615 5.909906 8.046326       7.411689 
1 1 1 9  7  6   o 155.5866 3.506111 496.4342       22.33687 511.1886       29.19375 475.6000       34.69095 157.7302 4.524803 151.9916 5.583556 5.738556       7.186789 
1 1 1 9  7  7   o 144.8737 3.557158 430.4926       21.10168 433.8302       27.48411 425.7000       32.93449 145.2698 4.626324 143.7632 5.605468 1.506622       7.268022 
1 1 1 9  7  8   o 126.2347 3.779309 327.2590       19.51311 315.3148       25.54255 344.0000       30.23970 123.7565 5.051095 129.1718 5.731496 -5.415375      7.639608 
1 1 1 9  7  9   o 240.3523 3.542199 1185.223       34.86147 1174.524       43.67765 1204.000       57.86579 239.1187 4.460889 241.8139 5.844081 -2.695236      7.352062 
1 1 1 9  7  10  o 162.9383 3.472858 544.7447       23.17046 576.0125       30.73862 503.6000       35.26086 167.3669 4.489343 156.3077 5.517848 11.05913       7.113427 
1 1 1 9  7  11  o 87.52699 6.437278 158.9931       22.90972 158.9931       22.90972 0.000000       0.000000 87.52699 6.437278 ?        ?        ?              ?        
1 1 1 9  7  12  o 141.7575 4.826135 414.0410       27.97282 414.0410       27.97282 0.000000       0.000000 141.7575 4.826135 ?        ?        ?              ?        
1 1 1 9  7  13  o 30.28145 13.22366 -4.052000      30.99152 -4.052000      30.99152 0.000000       0.000000 30.28145 13.22366 ?        ?        ?              ?        
1 1 1 9  7  14  o 116.2547 8.010594 282.9000       37.89978 282.9000       37.89978 0.000000       0.000000 116.2547 8.010594 ?        ?        ?              ?        
1 1 1 9  7  15  o 110.6642 8.594042 258.0000       38.63793 258.0000       38.63793 0.000000       0.000000 110.6642 8.594042 ?        ?        ?              ?        
1 1 1 9  7  16  o 147.8897 7.017415 456.6000       42.37393 456.6000       42.37393 0.000000       0.000000 147.8897 7.017415 ?        ?        ?              ?        
1 1 1 9  7  17  o 31.29278 11.58760 17.31589       19.69987 17.31589       19.69987 0.000000       0.000000 31.29278 11.58760 ?        ?        ?              ?        
1 1 1 9  7  18  o 23.75963 10.27530 -0.7370628     18.33832 -0.7370628     18.33832 0.000000       0.000000 23.75963 10.27530 ?        ?        ?              ?        
1 1 1 9  7  19  o 94.59895 7.270031 189.3000       27.94509 189.3000       27.94509 0.000000       0.000000 94.59895 7.270031 ?        ?        ?              ?        
1 1 1 9  7  20  o 74.90258 8.851956 121.7000       26.62545 121.7000       26.62545 0.000000       0.000000 74.90258 8.851956 ?        ?        ?              ?        
1 1 1 9  7  21  o 20.84339 9.852881 -22.02000      22.16615 -22.02000      22.16615 0.000000       0.000000 20.84339 9.852881 ?        ?        ?              ?        
1 1 1 9  7  22  o 64.98169 7.501522 91.34286       19.59421 91.34286       19.59421 0.000000       0.000000 64.98169 7.501522 ?        ?        ?              ?        
1 1 1 9  7  23  o 80.39853 6.263363 137.7782       20.45702 137.7782       20.45702 0.000000       0.000000 80.39853 6.263363 ?        ?        ?              ?        
1 1 1 9  7  24  f 27.72325 10.94269 12.75540       18.32680 12.75540       18.32680 0.000000       0.000000 27.72325 10.94269 ?        ?        ?              ?        
1 1 1 9  7  25  o 19.76487 9.171515 -11.32764      17.76244 -11.32764      17.76244 0.000000       0.000000 19.76487 9.171515 ?        ?        ?              ?        
1 1 1 9  7  26  o 72.38096 6.792572 114.5524       19.89657 114.5524       19.89657 0.000000       0.000000 72.38096 6.792572 ?        ?        ?              ?        
1 1 1 9  7  27  o 38.53760 10.72161 36.91541       17.53427 36.91541       17.53427 0.000000       0.000000 38.53760 10.72161 ?        ?        ?              ?        
1 1 1 9  7  28  o 56.09260 8.333050 73.18292       18.55894 73.18292       18.55894 0.000000       0.000000 56.09260 8.333050 ?        ?        ?              ?        
1 1 1 9  7  29  o 23.15389 9.818790 6.558164       16.15265 6.558164       16.15265 0.000000       0.000000 23.15389 9.818790 ?        ?        ?              ?        
1 1 1 9  7  30  o 44.75992 9.669678 50.45188       17.20397 50.45188       17.20397 0.000000       0.000000 44.75992 9.669678 ?        ?        ?              ?        
1 1 1 9  7  31  o 20.81932 9.336658 -0.6289120     16.48481 -0.6289120     16.48481 0.000000       0.000000 20.81932 9.336658 ?        ?        ?              ?        
1 1 1 9  7  32  o 25.74427 10.49965 13.38101       17.46329 13.38101       17.46329 0.000000       0.000000 25.74427 10.49965 ?        ?        ?              ?        
1 1 1 9  7  33  o 30.19360 11.13041 25.09340       18.14044 25.09340       18.14044 0.000000       0.000000 30.19360 11.13041 ?        ?        ?              ?        
1 1 1 9  7  34  o 18.26529 8.700215 -12.11122      17.93897 -12.11122      17.93897 0.000000       0.000000 18.26529 8.700215 ?        ?        ?              ?        
1 1 1 9  8  -33 o 40.33404 11.05834 47.44318       18.80605 43.52000       23.83745 53.91000       30.60457 35.96224 12.82876 37.41791 14.31393 -1.455673      19.22149 
1 1 1 9  8  -32 o 55.22529 7.594353 73.14333       16.71901 63.72240       19.80342 96.52000       31.19499 48.67916 10.25916 54.58760 13.91622 -5.908440      17.28906 
1 1 1 9  8  -31 o 18.26532 8.468895 -6.481029      15.09924 -14.56450      17.94728 13.10000       27.93299 18.16868 8.667576 27.80652 12.33172 -9.637846      15.07309 
1 1 1 9  8  -30 o 27.56486 10.21902 18.32696       15.32932 6.515779       18.26401 46.48000       28.19759 23.71427 10.25507 38.42576 13.92190 -14.71149      17.29120 
1 1 1 9  8  -29 o 36.64268 9.749319 34.36844       14.88296 21.46032       17.66534 65.94000       27.62731 29.32342 10.95087 46.74779 13.61084 -17.42437      17.46930 
1 1 1 9  8  -28 o 29.23197 9.911232 21.33713       14.13545 22.62772       17.42109 18.85000       24.18415 29.94307 10.92889 29.34723 12.20091 0.5958328      16.37995 
1 1 1 9  8  -27 o 22.25487 9.215531 6.872082       13.72016 12.47417       16.98596 -3.644000      23.27245 25.78289 10.41373 23.53290 10.76598 2.249994       14.97838 
1 1 1 9  8  -26 o 27.11234 10.83024 14.07334       18.15796 -2.897000      31.93625 22.18000       22.07292 27.28654 12.53097 31.09278 12.08641 -3.806244      17.40995 
1 1 1 9  8  -25 o 27.28547 10.65490 14.31757       17.21628 15.40000       30.89375 13.83000       20.73430 31.50275 13.47603 28.20234 11.46369 3.300417       17.69236 
1 1 1 9  8  -24 o 67.41433 7.072223 99.96170       19.23208 64.69000       33.43649 117.4000       23.51038 48.21449 15.17794 72.38147 8.069540 -24.16698      17.18974 
1 1 1 9  8  -23 o 97.01936 5.374442 199.8015       21.26747 137.7000       36.10431 232.8000       26.31814 75.28131 12.12414 104.1458 6.199531 -28.86447      13.61723 
1 1 1 9  8  -22 f 22.63940 9.095098 6.830953       12.88130 24.23488       17.58107 -13.34000      18.92714 32.70157 11.05361 20.17497 9.397561 12.52660       14.50850 
1 1 1 9  8  -21 o 51.55972 6.593873 57.41899       13.60297 58.76836       18.03870 55.64000       20.71224 51.11903 8.943391 48.84792 10.65570 2.271114       13.91144 
1 1 1 9  8  -20 o 86.37469 4.375990 155.5508       15.42659 167.1056       20.28448 139.7000       23.75794 89.03316 5.592253 80.56560 7.280172 8.467567       9.180099 
1 1 1 9  8  -19 o 37.74775 8.691204 31.89802       13.15576 37.59293       17.38155 24.26000       20.12961 40.51810 10.41867 33.79319 11.81250 6.724911       15.75068 
1 1 1 9  8  -18 o 32.55106 9.338159 23.52279       13.09383 12.25421       17.40918 38.20000       19.86851 27.76272 10.74989 40.84283 11.43143 -13.08011      15.69196 
1 1 1 9  8  -17 o 18.86621 8.385766 -3.883193      12.99006 -0.6364509     17.27036 -8.113000      19.71232 22.97908 9.954628 22.41590 10.11757 0.5631866      14.19365 
1 1 1 9  8  -16 o 20.80606 8.992887 -0.7167603     14.03077 0.3780000E-02  20.05908 -1.407000      19.63278 24.96090 10.77051 24.28547 10.56633 0.6754227      15.08811 
1 1 1 9  8  -15 o 75.55738 4.973506 118.6879       15.30179 125.5487       20.17683 109.4000       23.47592 77.33394 6.429856 71.60767 8.151369 5.726265       10.38209 
1 1 1 9  8  -14 o 66.69468 5.559982 92.83351       15.04610 83.35307       19.96359 105.3000       22.89268 62.53403 7.977887 70.35564 8.093735 -7.821609      11.36465 
1 1 1 9  8  -13 f 59.23159 6.828058 73.97799       16.25785 98.13000       24.32542 54.48000       21.85639 67.68758 8.999391 49.57749 11.04892 18.11010       14.25018 
1 1 1 9  8  -12 o 54.49760 7.505598 63.04332       16.30461 61.23000       24.11620 64.57000       22.12824 52.59105 11.51840 54.38247 10.31448 -1.791424      15.46163 
1 1 1 9  8  -11 o 58.08305 6.479842 70.78736       15.14908 81.05270       20.53515 58.53000       22.43932 61.74714 8.334503 51.62457 10.95474 10.12257       13.76482 
1 1 1 9  8  -10 o 82.72884 4.900250 141.5447       16.52531 156.0029       21.70369 121.6000       25.49118 86.62206 6.159182 75.90579 8.338596 10.71626       10.36666 
1 1 1 9  8  -9  o 197.0644 3.498565 797.5972       28.23076 816.0288       35.71424 766.9000       46.09022 199.1503 4.379617 192.6033 5.850925 6.546967       7.308513 
1 1 1 9  8  -8  o 140.7136 4.746017 408.0522       27.30662 408.0522       27.30662 0.000000       0.000000 140.7136 4.746017 ?        ?        ?              ?        
1 1 1 9  8  -7  o 163.5285 4.511512 550.4357       30.18039 550.4357       30.18039 0.000000       0.000000 163.5285 4.511512 ?        ?        ?              ?        
1 1 1 9  8  -6  o 122.9660 4.951054 311.6895       24.87817 311.6895       24.87817 0.000000       0.000000 122.9660 4.951054 ?        ?        ?              ?        
1 1 1 9  8  -5  o 160.0610 3.531345 525.8535       23.14462 525.7015       29.42567 526.1000       37.47916 159.8493 4.500115 159.6660 5.741969 0.1833496      7.295289 
1 1 1 9  8  -4  o 82.50198 5.071247 140.5715       17.04903 133.3768       22.63785 150.0000       25.91503 80.04060 6.976826 84.80442 7.541496 -4.763817      10.27377 
1 1 1 9  8  -3  o 37.62263 9.793799 30.58565       15.23241 8.536274       20.79199 56.13000       22.37924 28.74475 11.55262 50.83876 11.06530 -22.09401      15.99699 
1 1 1 9  8  -2  o 76.48700 5.382578 120.9948       16.75022 106.6028       22.46852 139.0000       25.13128 71.34940 7.818479 81.62462 7.606724 -10.27522      10.90829 
1 1 1 9  8  -1  o 85.49463 4.858091 150.7620       16.93706 131.7706       22.45999 175.8000       25.78877 79.58328 6.962333 92.02037 6.894312 -12.43709      9.798246 
1 1 1 9  8  0   o 197.7249 3.484675 802.1533       28.21291 781.7649       35.46413 837.3000       46.56293 195.0644 4.440039 201.5784 5.646770 -6.513931      7.183311 
1 1 1 9  8  1   o 182.6426 3.519552 684.4878       26.32170 674.5952       33.51964 700.4000       42.51171 181.1875 4.518005 184.3478 5.638414 -3.160355      7.225240 
1 1 1 9  8  2   o 173.0426 3.546127 614.4642       25.12648 593.4883       32.03480 648.0000       40.50575 169.8674 4.609875 177.3150 5.585846 -7.447540      7.242418 
1 1 1 9  8  3   o 121.8445 3.993255 305.1863       19.89622 330.8853       26.34983 271.1000       30.34657 126.7201 5.088525 114.4383 6.502868 12.28181       8.257142 
1 1 1 9  8  4   o 111.9981 4.158965 258.0268       19.03993 224.5397       24.77899 306.3000       29.75075 104.2215 5.829564 121.7469 5.986175 -17.52535      8.355722 
1 1 1 9  8  5   o 125.4088 3.875188 323.2838       19.87576 325.3496       26.44090 320.6000       30.13762 125.6180 5.151367 124.5550 5.926126 1.062973       7.852106 
1 1 1 9  8  6   o 95.74034 4.481366 188.8767       17.51955 209.6382       24.22214 166.1000       25.37051 100.6473 5.903329 89.34238 6.990637 11.30494       9.149771 
1 1 1 9  8  7   o 103.1381 5.715178 220.0567       24.04206 220.0567       24.04206 0.000000       0.000000 103.1381 5.715178 ?        ?        ?              ?        
1 1 1 9  8  8   o 194.2008 4.488106 775.9107       35.68934 775.9107       35.68934 0.000000       0.000000 194.2008 4.488106 ?        ?        ?              ?        
1 1 1 9  8  9   o 163.1824 3.631129 547.0408       24.26271 540.4101       30.73848 558.0000       39.51757 161.9511 4.640043 164.2530 5.885116 -2.301926      7.494303 
1 1 1 9  8  10  o 198.7094 3.529169 811.2182       28.71542 794.5135       36.07624 840.1000       47.43663 196.4437 4.484962 201.5582 5.753518 -5.114563      7.295057 
1 1 1 9  8  11  o 146.6510 3.689636 442.4254       22.13848 453.3428       29.00941 427.2000       34.25827 148.2104 4.786361 143.5885 5.838861 4.621918       7.549937 
1 1 1 9  8  12  o 76.20155 5.909393 120.9688       18.29472 105.0000       27.52876 133.6000       24.48345 69.85372 9.901534 79.67371 7.596539 -9.819992      12.47989 
1 1 1 9  8  13  f 22.20999 9.527018 -0.1074689     15.51879 -11.27000      25.10358 6.797000       19.74329 25.21918 11.39696 27.23560 11.14264 -2.016417      15.93892 
1 1 1 9  8  14  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9  8  15  o 82.96718 4.855181 142.9104       16.42230 123.6717       21.86671 167.8000       24.87167 76.55830 7.054645 89.33819 6.851256 -12.77989      9.834008 
1 1 1 9  8  16  o 65.64742 5.726661 90.34694       15.23979 92.84519       20.73188 87.41000       22.47854 65.90209 7.835972 63.54202 8.881678 2.360069       11.84427 
1 1 1 9  8  17  o 83.08035 4.688021 143.5208       15.88352 141.6066       21.33699 145.9000       23.78768 81.98055 6.407062 82.97002 7.069005 -0.9894714     9.540506 
1 1 1 9  8  18  o 31.80581 9.583776 22.28129       13.50856 16.42147       18.34030 29.23000       19.97178 29.94369 11.16295 36.32385 11.76272 -6.380159      16.21644 
1 1 1 9  8  19  o 37.87711 8.963098 32.23755       13.68341 34.02783       18.45177 30.05000       20.39659 38.49808 11.09808 36.55246 11.89101 1.945614       16.26541 
1 1 1 9  8  20  o 37.98727 8.891839 32.61052       13.58513 18.36196       18.48628 49.34000       20.03112 30.51106 11.23800 46.10013 10.80157 -15.58907      15.58738 
1 1 1 9  8  21  o 86.47512 4.538993 156.4377       16.01592 138.2602       20.91650 182.2000       24.90080 80.43143 6.403788 92.25517 6.636048 -11.82375      9.222018 
1 1 1 9  8  22  f 62.42185 7.197556 85.01244       18.06050 95.90000       32.83585 80.29000       21.62549 62.13626 13.30668 59.55116 9.161716 2.585102       16.15564 
1 1 1 9  8  23  o 19.07222 8.857293 -11.05515      16.61773 -19.25000      32.83752 -8.234000      19.26696 25.98830 12.19383 21.41915 9.797764 4.569153       15.64243 
1 1 1 9  8  24  o 63.22820 7.270209 88.37138       18.48056 85.50000       31.84101 89.83000       22.69418 57.06227 13.78351 62.48239 9.140559 -5.420113      16.53889 
1 1 1 9  8  25  o 64.09358 5.751656 88.78239       14.93462 75.16068       19.44005 108.4000       23.32944 57.16145 8.569358 68.89576 8.446129 -11.73431      12.03208 
1 1 1 9  8  26  o 40.92448 8.773848 39.83270       14.26117 39.89708       18.56379 39.74000       22.27682 39.45480 11.05217 38.51852 12.41871 0.9362793      16.62453 
1 1 1 9  8  27  o 89.77648 5.708122 175.9612       20.87494 175.9612       20.87494 0.000000       0.000000 89.77648 5.708122 ?        ?        ?              ?        
1 1 1 9  8  28  o 25.42309 10.39398 12.11274       17.16473 12.11274       17.16473 0.000000       0.000000 25.42309 10.39398 ?        ?        ?              ?        
1 1 1 9  8  29  o 80.51154 6.294281 144.8398       20.58569 144.8398       20.58569 0.000000       0.000000 80.51154 6.294281 ?        ?        ?              ?        
1 1 1 9  8  30  o 23.06392 10.05980 4.899926       17.88960 4.899926       17.88960 0.000000       0.000000 23.06392 10.05980 ?        ?        ?              ?        
1 1 1 9  8  31  o 29.83452 11.24914 23.59005       18.73598 23.59005       18.73598 0.000000       0.000000 29.83452 11.24914 ?        ?        ?              ?        
1 1 1 9  8  32  o 22.64832 10.08724 4.432109       18.89346 4.432109       18.89346 0.000000       0.000000 22.64832 10.08724 ?        ?        ?              ?        
1 1 1 9  8  33  o 19.79468 9.299442 -7.043816      19.20282 -7.043816      19.20282 0.000000       0.000000 19.79468 9.299442 ?        ?        ?              ?        
1 1 1 9  9  0   o 245.0864 6.484901 1238.000       65.02274 1238.000       65.02274 0.000000       0.000000 245.0864 6.484901 ?        ?        ?              ?        
1 1 1 9  9  1   o 100.7975 4.463485 209.6024       18.37680 191.2520       24.52424 233.1000       27.75137 95.91315 6.278957 105.8896 6.430710 -9.976471      8.987733 
1 1 1 9  9  2   f 33.24614 10.94561 22.60901       17.25889 29.24000       30.48133 19.48000       20.93865 39.66266 14.45934 32.91727 11.98655 6.745388       18.78164 
1 1 1 9  9  3   f 270.8650 3.782264 1508.480       41.94972 1474.884       52.01399 1571.000       70.95420 267.5060 4.748562 275.3942 6.292149 -7.888123      7.882891 
1 1 1 9  9  4   o 66.00148 7.021747 91.49847       18.68586 133.1000       31.07215 67.93000       23.38742 78.92230 9.827248 55.80403 10.62303 23.11827       14.47148 
1 1 1 9  9  5   o 68.21509 6.534260 97.40522       18.02874 78.06000       29.14196 109.4000       22.94711 59.32380 12.39684 71.97919 7.916204 -12.65539      14.70877 
1 1 1 9  9  6   o 50.09895 8.884592 54.16933       17.55865 6.615000       27.68505 86.17000       22.71066 31.21613 13.02208 63.45899 8.991519 -32.24286      15.82473 
1 1 1 9  9  7   f 177.0067 3.515283 644.2269       25.47854 647.1672       32.86828 639.8000       40.33002 177.1013 4.536161 175.7290 5.612001 1.372299       7.216046 
1 1 1 9  9  8   o 91.40589 4.583673 172.8070       17.10110 179.8461       23.24348 164.5000       25.25018 92.88429 6.145871 88.57198 7.019518 4.312317       9.329810 
1 1 1 9  9  9   o 145.1424 3.611329 433.5223       21.46277 433.3250       28.07066 433.8000       33.30105 144.7660 4.741851 144.5531 5.636888 0.2129211      7.366115 
1 1 1 9  9  10  o 137.1597 3.671174 387.6254       20.59991 359.1829       26.33102 432.5000       33.07379 131.7023 4.891081 144.2856 5.608729 -12.58330      7.441809 
1 1 1 9  9  11  o 31.31885 9.641744 21.04827       13.57504 22.57175       18.94331 19.44000       19.46324 33.33170 11.46944 32.03559 11.57197 1.296101       16.29290 
1 1 1 9  9  12  o 159.7381 3.487009 525.5453       22.80794 534.7045       29.52894 512.0000       35.90979 160.7480 4.490593 156.8337 5.600758 3.914230       7.178712 
1 1 1 9  9  13  o 108.6484 3.892095 243.9633       17.28737 243.8589       22.95733 244.1000       26.27279 108.2310 5.195354 108.0024 5.963999 0.2285919      7.909551 
1 1 1 9  9  14  o 44.71297 7.829230 43.52765       13.81231 25.13673       18.84205 64.89000       20.30724 34.25136 11.44207 54.18411 9.498931 -19.93275      14.87114 
1 1 1 9  9  15  o 57.11127 6.301178 69.27663       14.49093 57.52006       19.54440 83.63000       21.59528 50.71746 9.765397 61.85033 8.772775 -11.13287      13.12724 
1 1 1 9  9  16  o 137.0184 6.001940 395.2000       33.59233 395.2000       33.59233 0.000000       0.000000 137.0184 6.001940 ?        ?        ?              ?        
1 1 1 9  9  17  o 69.46128 5.299619 101.5774       14.95962 120.6788       20.05912 77.64000       22.45528 75.20713 6.579920 58.79510 9.662602 16.41203       11.69022 
1 1 1 9  9  18  o 25.92266 9.424680 12.99480       12.93763 11.49157       17.82083 14.67000       18.81258 27.22654 10.77677 28.91282 11.18031 -1.686277      15.52863 
1 1 1 9  9  19  o 72.23216 5.249737 110.2819       15.42120 135.1460       20.94724 80.86000       22.78638 79.35757 6.503350 59.57437 9.672399 19.78320       11.65542 
1 1 1 9  9  20  o 28.07129 10.73701 14.83487       17.21853 14.12000       31.48125 15.14000       20.56759 32.42406 13.72691 29.31399 11.58557 3.110064       17.96255 
1 1 1 9  9  21  o 93.79185 4.392167 184.7458       16.82134 161.1231       21.35137 223.4000       27.31236 86.59630 6.059706 101.5935 6.601258 -14.99723      8.960838 
1 1 1 9  9  22  o 61.36553 6.018060 81.50079       14.92762 70.50362       19.27534 97.98000       23.59553 55.40422 8.789512 65.24457 9.077540 -9.840351      12.63556 
1 1 1 9  9  23  f 148.7137 4.355354 466.0696       26.49297 468.0000       38.30780 464.3000       36.67870 146.6330 6.395534 146.4015 6.132062 0.2314453      8.860307 
1 1 1 9  9  24  o 36.20939 9.690148 32.27190       14.64982 25.10696       19.23059 42.18000       22.61420 31.94270 11.50731 39.52935 12.48735 -7.586643      16.98093 
1 1 1 9  9  25  o 32.30669 10.07153 26.31708       14.75911 5.288236       18.53916 62.71000       24.38882 23.83111 10.31879 47.85327 12.36026 -24.02216      16.10135 
1 1 1 9  9  26  o 29.21368 10.17778 21.28422       14.93664 12.82675       18.42846 37.48000       25.50174 26.06795 10.72606 35.86863 13.20132 -9.800676      17.00950 
1 1 1 9  9  27  o 41.64314 9.385087 43.44021       15.61879 36.39911       18.91096 58.55000       27.70274 36.42775 11.40712 43.55242 13.82886 -7.124668      17.92651 
1 1 1 9  9  28  o 35.41591 10.30713 32.96240       15.84625 36.76068       18.92720 24.06000       28.97654 36.53268 11.40786 31.27405 13.20129 5.258631       17.44745 
1 1 1 9  9  29  o 58.82039 8.866631 84.84473       20.69255 84.84473       20.69255 0.000000       0.000000 58.82039 8.866631 ?        ?        ?              ?        
1 1 1 9  9  30  o 27.53403 12.64481 10.04000       32.52079 10.04000       32.52079 0.000000       0.000000 27.53403 12.64481 ?        ?        ?              ?        
1 1 1 9  9  31  o 25.32288 10.99829 12.48592       21.19290 10.64000       32.86418 13.80000       27.72859 27.02759 12.51863 26.83582 12.06592 0.1917629      17.38685 
1 1 1 10 0  -39 o 15.29677 10.76495 -17.92000      26.35176 -17.92000      26.35176 -17.92000      26.35176 15.29677 10.76495 15.29677 10.76495 -0.000000      0.000000 
1 1 1 10 0  -38 o 30.23064 15.90722 37.52000       26.11526 37.52000       26.11526 37.52000       26.11526 30.23064 15.90722 30.23064 15.90722 0.000000       0.000000 
1 1 1 10 0  -37 o 48.09636 15.49212 69.93000       26.93064 69.93000       26.93064 69.93000       26.93064 48.09636 15.49212 48.09636 15.49212 -0.000000      0.000000 
1 1 1 10 0  -36 o 22.37966 13.73526 15.97000       24.23945 15.97000       24.23945 15.97000       24.23945 22.37966 13.73526 22.37966 13.73526 -0.000000      0.000000 
1 1 1 10 0  -35 o 78.65336 8.945699 141.2000       27.84932 141.2000       27.84932 141.2000       27.84932 78.65336 8.945699 78.65336 8.945699 -0.000000      0.000000 
1 1 1 10 0  -34 o 22.65056 13.86455 15.01000       24.54875 15.01000       24.54875 15.01000       24.54875 22.65056 13.86455 22.65056 13.86455 0.000000       0.000000 
1 1 1 10 0  -33 o 21.52958 13.54399 9.867000       25.07223 9.867000       25.07223 9.867000       25.07223 21.52958 13.54399 21.52958 13.54399 0.000000       0.000000 
1 1 1 10 0  -32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 0  -31 o 19.48999 12.83627 -0.9276000     26.14227 -0.9276000     26.14227 -0.9276000     26.14227 19.48999 12.83627 19.48999 12.83627 0.000000       0.000000 
1 1 1 10 0  -30 f 66.52177 11.19189 102.2000       27.89442 102.2000       27.89442 102.2000       27.89442 66.52177 11.19189 66.52177 11.19189 0.000000       0.000000 
1 1 1 10 0  -29 o 98.56736 8.002387 207.5000       31.79254 207.5000       31.79254 207.5000       31.79254 98.56736 8.002387 98.56736 8.002387 0.000000       0.000000 
1 1 1 10 0  -28 o 182.7189 6.398264 694.7000       47.73746 694.7000       47.73746 694.7000       47.73746 182.7189 6.398264 182.7189 6.398264 -0.000000      0.000000 
1 1 1 10 0  -27 o 24.89333 15.17253 13.62000       29.12200 13.62000       29.12200 13.62000       29.12200 24.89333 15.17253 24.89333 15.17253 0.000000       0.000000 
1 1 1 10 0  -26 o 49.06413 17.17080 67.04000       31.22599 67.04000       31.22599 67.04000       31.22599 49.06413 17.17080 49.06413 17.17080 0.000000       0.000000 
1 1 1 10 0  -25 o 70.25549 13.38015 113.9000       34.43855 113.9000       34.43855 113.9000       34.43855 70.25549 13.38015 70.25549 13.38015 0.000000       0.000000 
1 1 1 10 0  -24 o 92.53037 9.875464 183.5000       36.34388 183.5000       36.34388 183.5000       36.34388 92.53037 9.875464 92.53037 9.875464 0.000000       0.000000 
1 1 1 10 0  -23 o 240.3655 6.754679 1192.000       66.36285 1192.000       66.36285 1192.000       66.36285 240.3655 6.754679 240.3655 6.754679 -0.000000      0.000000 
1 1 1 10 0  -22 o 41.32787 19.46090 52.82000       37.08618 52.82000       37.08618 52.82000       37.08618 41.32787 19.46090 41.32787 19.46090 -0.000000      0.000000 
1 1 1 10 0  -21 o 50.51438 19.39414 72.45000       37.92182 72.45000       37.92182 72.45000       37.92182 50.51438 19.39414 50.51438 19.39414 0.000000       0.000000 
1 1 1 10 0  -20 o 17.77020 12.52485 -41.64000      36.10569 -41.64000      36.10569 -41.64000      36.10569 17.77020 12.52485 17.77020 12.52485 -0.000000      0.000000 
1 1 1 10 0  -19 o 183.1547 6.898880 691.5000       51.57244 691.5000       51.57244 691.5000       51.57244 183.1547 6.898880 183.1547 6.898880 0.000000       0.000000 
1 1 1 10 0  -18 o 85.77091 11.22166 159.0000       37.54465 159.0000       37.54465 159.0000       37.54465 85.77091 11.22166 85.77091 11.22166 -0.000000      0.000000 
1 1 1 10 0  -17 o 135.7134 7.481859 381.4000       41.28644 381.4000       41.28644 381.4000       41.28644 135.7134 7.481859 135.7134 7.481859 -0.000000      0.000000 
1 1 1 10 0  -16 o 247.6020 6.644729 1260.000       67.25867 1260.000       67.25867 1260.000       67.25867 247.6020 6.644729 247.6020 6.644729 -0.000000      0.000000 
1 1 1 10 0  -15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 0  -14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 0  -13 o 114.6954 7.335988 273.0000       34.12582 273.0000       34.12582 273.0000       34.12582 114.6954 7.335988 114.6954 7.335988 -0.000000      0.000000 
1 1 1 10 0  -12 o 78.61841 9.298045 132.0000       28.83280 132.0000       28.83280 132.0000       28.83280 78.61841 9.298045 78.61841 9.298045 -0.000000      0.000000 
1 1 1 10 0  -11 o 345.0222 7.203801 2443.000       101.6730 2443.000       101.6730 2443.000       101.6730 345.0222 7.203801 345.0222 7.203801 0.000000       0.000000 
1 1 1 10 0  -10 f 229.1477 6.026135 1078.000       56.45462 1078.000       56.45462 1078.000       56.45462 229.1477 6.026135 229.1477 6.026135 0.000000       0.000000 
1 1 1 10 0  -9  o 509.0952 9.484396 5320.000       197.5573 5320.000       197.5573 5320.000       197.5573 509.0952 9.484396 509.0952 9.484396 0.000000       0.000000 
1 1 1 10 0  -8  o 136.1012 6.039271 381.7000       33.50540 381.7000       33.50540 381.7000       33.50540 136.1012 6.039271 136.1012 6.039271 -0.000000      0.000000 
1 1 1 10 0  -7  o 341.3160 7.070571 2390.000       98.72219 2390.000       98.72219 2390.000       98.72219 341.3160 7.070571 341.3160 7.070571 0.000000       0.000000 
1 1 1 10 0  -6  o 287.9381 6.422539 1701.000       75.63837 1701.000       75.63837 1701.000       75.63837 287.9381 6.422539 287.9381 6.422539 -0.000000      0.000000 
1 1 1 10 0  -5  o 98.43100 6.778382 201.3000       27.01758 201.3000       27.01758 201.3000       27.01758 98.43100 6.778382 98.43100 6.778382 0.000000       0.000000 
1 1 1 10 0  -4  o 192.2612 5.650154 759.1000       44.39420 759.1000       44.39420 759.1000       44.39420 192.2612 5.650154 192.2612 5.650154 -0.000000      0.000000 
1 1 1 10 0  -3  f 620.7143 11.20373 7910.000       284.5507 7910.000       284.5507 7910.000       284.5507 620.7143 11.20373 620.7143 11.20373 0.000000       0.000000 
1 1 1 10 0  -2  o 265.5693 6.100753 1447.000       66.26251 1447.000       66.26251 1447.000       66.26251 265.5693 6.100753 265.5693 6.100753 -0.000000      0.000000 
1 1 1 10 0  -1  o 235.1815 5.783922 1135.000       55.62322 1135.000       55.62322 1135.000       55.62322 235.1815 5.783922 235.1815 5.783922 -0.000000      0.000000 
1 1 1 10 0  0   o 62.07596 9.418838 84.24000       22.31060 84.24000       22.31060 84.24000       22.31060 62.07596 9.418838 62.07596 9.418838 0.000000       0.000000 
1 1 1 10 0  1   o 507.0561 9.400867 5276.000       195.0345 5276.000       195.0345 5276.000       195.0345 507.0561 9.400867 507.0561 9.400867 0.000000       0.000000 
1 1 1 10 0  2   o 72.97997 7.882043 112.9000       22.85959 112.9000       22.85959 112.9000       22.85959 72.97997 7.882043 72.97997 7.882043 0.000000       0.000000 
1 1 1 10 0  3   f 105.7628 5.957218 231.3000       25.61026 231.3000       25.61026 231.3000       25.61026 105.7628 5.957218 105.7628 5.957218 0.000000       0.000000 
1 1 1 10 0  4   o 499.1219 9.260273 5112.000       189.1113 5112.000       189.1113 5112.000       189.1113 499.1219 9.260273 499.1219 9.260273 -0.000000      0.000000 
1 1 1 10 0  5   o 322.7612 6.712801 2137.000       88.63094 2137.000       88.63094 2137.000       88.63094 322.7612 6.712801 322.7612 6.712801 0.000000       0.000000 
1 1 1 10 0  6   o 586.7794 10.63389 7068.000       255.3111 7068.000       255.3111 7068.000       255.3111 586.7794 10.63389 586.7794 10.63389 -0.000000      0.000000 
1 1 1 10 0  7   o 256.2269 5.909936 1347.000       61.93125 1347.000       61.93125 1347.000       61.93125 256.2269 5.909936 256.2269 5.909936 -0.000000      0.000000 
1 1 1 10 0  8   o 185.0596 5.428473 703.3000       41.05505 703.3000       41.05505 703.3000       41.05505 185.0596 5.428473 185.0596 5.428473 0.000000       0.000000 
1 1 1 10 0  9   o 859.2822 15.09935 15190.00       530.9038 15190.00       530.9038 15190.00       530.9038 859.2822 15.09935 859.2822 15.09935 0.000000       0.000000 
1 1 1 10 0  10  f 568.9813 10.35494 6648.000       241.0713 6648.000       241.0713 6648.000       241.0713 568.9813 10.35494 568.9813 10.35494 0.000000       0.000000 
1 1 1 10 0  11  o 524.3163 9.659680 5645.000       207.2278 5645.000       207.2278 5645.000       207.2278 524.3163 9.659680 524.3163 9.659680 0.000000       0.000000 
1 1 1 10 0  12  o 629.9151 11.33991 8156.000       292.2795 8156.000       292.2795 8156.000       292.2795 629.9151 11.33991 629.9151 11.33991 0.000000       0.000000 
1 1 1 10 0  13  o 96.36514 6.599592 193.0000       25.75616 193.0000       25.75616 193.0000       25.75616 96.36514 6.599592 96.36514 6.599592 0.000000       0.000000 
1 1 1 10 0  14  o 158.9216 5.606749 519.5000       36.38224 519.5000       36.38224 519.5000       36.38224 158.9216 5.606749 158.9216 5.606749 -0.000000      0.000000 
1 1 1 10 0  15  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 0  16  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 0  17  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 0  18  o 35.39732 15.92728 37.49000       24.70934 37.49000       24.70934 37.49000       24.70934 35.39732 15.92728 35.39732 15.92728 -0.000000      0.000000 
1 1 1 10 0  19  o 48.82519 9.337489 54.01775       16.69027 54.01775       16.69027 54.01775       16.69027 48.82519 9.337489 48.82519 9.337489 -0.000000      0.000000 
1 1 1 10 0  20  o 181.2426 3.965779 674.1818       29.39975 674.1818       29.39975 674.1818       29.39975 181.2426 3.965779 181.2426 3.965779 -0.000000      0.000000 
1 1 1 10 0  21  o 211.3881 4.001580 916.9816       34.60870 916.9816       34.60870 916.9816       34.60870 211.3881 4.001580 211.3881 4.001580 -0.000000      0.000000 
1 1 1 10 0  22  o 52.26493 8.189219 60.19676       16.24228 60.19676       16.24228 60.19676       16.24228 52.26493 8.189219 52.26493 8.189219 -0.000000      0.000000 
1 1 1 10 0  23  o 22.36419 11.96946 14.93670       14.99704 14.93670       14.99704 14.93670       14.99704 22.36419 11.96946 22.36419 11.96946 -0.000000      0.000000 
1 1 1 10 0  24  o 203.3524 3.919952 849.4211       32.61296 849.4211       32.61296 849.4211       32.61296 203.3524 3.919952 203.3524 3.919952 0.000000       0.000000 
1 1 1 10 0  25  o 40.10588 9.563726 38.42649       13.62810 38.42649       13.62810 38.42649       13.62810 40.10588 9.563726 40.10588 9.563726 0.000000       0.000000 
1 1 1 10 0  26  o 170.2824 3.799103 596.3438       26.45982 596.3438       26.45982 596.3438       26.45982 170.2824 3.799103 170.2824 3.799103 -0.000000      0.000000 
1 1 1 10 0  27  o 64.83377 6.931372 89.97000       17.87139 89.97000       17.87139 89.97000       17.87139 64.83377 6.931372 64.83377 6.931372 0.000000       0.000000 
1 1 1 10 0  28  o 79.88365 5.589771 133.8000       18.07490 133.8000       18.07490 133.8000       18.07490 79.88365 5.589771 79.88365 5.589771 0.000000       0.000000 
1 1 1 10 0  29  o 41.79829 9.369782 41.62000       14.00085 41.62000       14.00085 41.62000       14.00085 41.79829 9.369782 41.79829 9.369782 0.000000       0.000000 
1 1 1 10 0  30  f 36.52194 10.29646 34.03000       13.33028 34.03000       13.33028 34.03000       13.33028 36.52194 10.29646 36.52194 10.29646 -0.000000      0.000000 
1 1 1 10 0  31  o 18.25392 9.851282 10.33999       10.23685 10.33999       10.23685 10.33999       10.23685 18.25392 9.851282 18.25392 9.851282 0.000000       0.000000 
1 1 1 10 0  32  o 73.41846 8.816333 120.0000       25.49320 120.0000       25.49320 120.0000       25.49320 73.41846 8.816333 73.41846 8.816333 0.000000       0.000000 
1 1 1 10 0  33  o 86.04967 8.039049 162.3000       27.72488 162.3000       27.72488 162.3000       27.72488 86.04967 8.039049 86.04967 8.039049 0.000000       0.000000 
1 1 1 10 0  34  o 23.78763 14.10479 18.63000       23.81975 18.63000       23.81975 18.63000       23.81975 23.78763 14.10479 23.78763 14.10479 -0.000000      0.000000 
1 1 1 10 0  35  o 23.24405 13.98599 18.11000       24.08587 18.11000       24.08587 18.11000       24.08587 23.24405 13.98599 23.24405 13.98599 0.000000       0.000000 
1 1 1 10 0  36  o 18.26631 12.06781 1.786000       23.38962 1.786000       23.38962 1.786000       23.38962 18.26631 12.06781 18.26631 12.06781 -0.000000      0.000000 
1 1 1 10 0  37  o 73.62859 9.762914 127.4000       27.99185 127.4000       27.99185 127.4000       27.99185 73.62859 9.762914 73.62859 9.762914 0.000000       0.000000 
1 1 1 10 0  38  o 25.19217 14.79580 25.11000       25.77365 25.11000       25.77365 25.11000       25.77365 25.19217 14.79580 25.19217 14.79580 0.000000       0.000000 
1 1 1 10 0  39  o 16.61479 11.44201 -7.577000      25.71013 -7.577000      25.71013 -7.577000      25.71013 16.61479 11.44201 16.61479 11.44201 -0.000000      0.000000 
1 1 1 10 1  -39 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 1  -38 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 1  -37 o 19.96931 9.250002 -6.308121      17.94746 -14.75000      26.43407 0.9114000      24.44549 22.17488 10.56210 24.32635 11.09269 -2.151476      15.31685 
1 1 1 10 1  -36 o 25.37637 10.43951 12.00671       17.45261 30.05000       24.93633 -5.318000      24.43474 32.95598 12.83636 23.27581 10.78559 9.680170       16.76607 
1 1 1 10 1  -35 o 30.90509 11.03684 24.78379       17.64811 7.093000       24.67522 43.31000       25.25113 26.15438 11.59513 38.09142 13.23552 -11.93703      17.59619 
1 1 1 10 1  -34 o 16.76508 8.113399 -21.43373      17.07275 -20.32000      23.72434 -22.63000      24.58783 20.63058 9.875564 20.68501 9.941456 -0.5442810E-01 14.01283 
1 1 1 10 1  -33 o 18.60281 8.798414 -14.80857      17.71964 -20.02000      24.61704 -9.205000      25.52640 21.45027 10.21010 23.79818 11.02634 -2.347908      15.02752 
1 1 1 10 1  -32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 1  -31 o 55.84473 8.714784 70.79514       19.27748 55.14000       28.03302 84.84000       26.55217 46.00109 13.79356 59.36012 11.33729 -13.35904      17.85488 
1 1 1 10 1  -30 o 85.29504 6.367180 155.8340       22.07753 138.8000       32.89242 169.8000       29.78329 77.52645 10.64201 87.66386 8.399761 -10.13741      13.55759 
1 1 1 10 1  -29 o 50.42285 10.49159 58.64561       20.95567 60.93000       32.10555 56.95000       27.66037 49.22824 14.76161 48.19180 13.48786 1.036446       19.99569 
1 1 1 10 1  -28 o 59.96638 8.900330 79.19725       21.19229 120.2000       33.67500 52.31000       27.26932 72.43222 11.75681 46.78165 13.49340 25.65057       17.89677 
1 1 1 10 1  -27 o 32.15977 12.01900 19.07468       21.28746 -25.12000      32.81099 51.20000       27.97423 26.24529 12.27388 46.74793 13.71991 -20.50264      18.40880 
1 1 1 10 1  -26 o 23.81156 10.67593 -7.473217      21.53873 2.773000       33.22575 -14.90000      28.28742 32.18164 13.87382 25.99013 11.88229 6.191513       18.26668 
1 1 1 10 1  -25 o 39.67953 12.60247 34.23470       23.00579 18.14000       35.04763 46.42000       30.49548 37.11166 14.96956 45.64135 14.51118 -8.529694      20.84855 
1 1 1 10 1  -24 o 144.0952 5.223824 429.6216       30.77111 403.9000       45.22157 451.8000       41.99157 138.7304 7.994524 147.1678 6.988235 -8.437347      10.61828 
1 1 1 10 1  -23 o 82.68085 7.638550 143.3971       25.56846 172.6000       38.85830 121.1000       33.95435 89.78383 10.78533 74.78193 11.45264 15.00190       15.73170 
1 1 1 10 1  -22 o 80.99766 8.084951 137.6608       26.45692 134.8000       41.01213 139.7000       34.62502 78.61163 13.20890 80.87798 10.71892 -2.266357      17.01088 
1 1 1 10 1  -21 o 106.9491 6.556976 236.9808       28.57674 248.8000       44.68175 228.8000       37.17350 108.7186 10.15442 104.5937 8.760068 4.124840       13.41085 
1 1 1 10 1  -20 o 251.5919 4.898640 1300.844       50.46574 1315.000       74.77169 1289.000       68.39281 252.2928 7.245327 249.9505 6.688406 2.342331       9.860504 
1 1 1 10 1  -19 o 204.3818 4.887623 857.9240       40.90387 886.7000       61.57808 835.2000       54.72080 207.2620 7.266988 201.2799 6.648503 5.982071       9.849452 
1 1 1 10 1  -18 o 171.3786 5.040641 603.5560       35.33415 590.9000       52.14581 614.3000       48.04570 169.1816 7.546340 172.6367 6.810044 -3.455139      10.16484 
1 1 1 10 1  -17 f 133.7456 5.491339 367.9410       30.00941 347.5000       45.16388 384.1000       40.15565 129.5326 8.563097 136.4295 7.213733 -6.896896      11.19663 
1 1 1 10 1  -16 o 210.3917 4.659352 908.0022       40.14012 933.1000       59.54721 887.1000       54.34253 212.9354 6.838371 207.6821 6.397858 5.253296       9.364610 
1 1 1 10 1  -15 o 257.5933 4.721866 1360.922       49.80495 1400.000       73.65437 1328.000       67.60365 260.9132 6.900165 254.1749 6.500843 6.738297       9.480149 
1 1 1 10 1  -14 o 310.5146 4.950411 1977.578       62.94304 1989.000       90.77380 1967.000       87.35444 311.1129 7.125546 309.4240 6.894561 1.688965       9.915058 
1 1 1 10 1  -13 o 55.86692 9.859920 66.17832       21.73120 21.32000       33.91953 97.41000       28.30258 39.11239 15.04202 67.95441 10.51037 -28.84201      18.35021 
1 1 1 10 1  -12 o 86.32849 8.939183 154.9000       31.14252 0.000000       0.000000 154.9000       31.14252 ?        ?        86.32849 8.939183 ?              ?        
1 1 1 10 1  -11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 1  -10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 1  -9  f 332.2246 5.006389 2262.136       68.10529 2247.000       96.75488 2277.000       95.88189 330.9300 7.140234 333.1429 7.028807 -2.212891      10.01933 
1 1 1 10 1  -8  o 233.2751 4.301473 1114.916       41.08752 1097.000       58.80980 1132.000       57.42790 231.2199 6.217193 234.9017 5.975374 -3.681824      8.623142 
1 1 1 10 1  -7  o 455.7164 6.144264 4257.726       114.6539 4293.000       163.9951 4224.000       160.3564 457.2780 8.758427 453.6060 8.633426 3.671906       12.29821 
1 1 1 10 1  -6  o 149.8228 4.264179 460.2259       26.13339 431.8000       37.93559 485.9000       36.05265 144.9834 6.405863 153.8624 5.732451 -8.878967      8.596283 
1 1 1 10 1  -5  o 492.7584 6.520960 4978.185       131.5740 5063.000       189.3524 4899.000       182.9595 496.5770 9.312363 488.4928 9.146871 8.084229       13.05317 
1 1 1 10 1  -4  o 565.4462 7.316145 6557.135       169.3940 6492.000       238.0047 6624.000       241.1447 562.1555 10.33962 567.8359 10.37124 -5.680420      14.64480 
1 1 1 10 1  -3  o 388.3397 5.443079 3090.432       86.55275 2961.000       119.1571 3235.000       125.9319 379.9488 7.658969 397.1313 7.744210 -17.18250      10.89186 
1 1 1 10 1  -2  f 293.9247 4.594199 1769.891       55.29302 1821.000       80.85837 1725.000       75.78065 298.0346 6.625731 290.0865 6.379791 7.948151       9.197937 
1 1 1 10 1  -1  o 386.7252 5.410626 3064.673       85.67900 3114.000       123.5676 3019.000       118.9038 389.6440 7.744834 383.6701 7.568561 5.973877       10.82892 
1 1 1 10 1  0   o 248.8166 4.273845 1268.213       43.54342 1190.000       60.72310 1351.000       62.47359 240.8721 6.161688 256.7436 5.942544 -15.87143      8.560387 
1 1 1 10 1  1   o 218.9866 4.080739 982.3098       36.59155 1005.000       53.66889 962.6000       50.02008 221.3604 5.926375 216.6554 5.643133 4.704971       8.183329 
1 1 1 10 1  2   f 210.3479 4.052849 906.3353       34.90785 961.0000       52.19593 862.1000       46.95349 216.4580 5.894445 205.0277 5.598060 11.43036       8.129130 
1 1 1 10 1  3   o 266.7687 4.371973 1457.884       47.75697 1547.000       70.93397 1384.000       64.58828 274.7127 6.305958 259.8492 6.070269 14.86353       8.752901 
1 1 1 10 1  4   o 387.9979 7.735648 3088.000       122.8996 0.000000       0.000000 3088.000       122.8996 ?        ?        387.9979 7.735648 ?              ?        
1 1 1 10 1  5   o 629.3544 8.008517 8126.483       206.3820 8249.000       296.2785 8011.000       287.6492 633.3895 11.42365 624.2249 11.25376 9.164612       16.03580 
1 1 1 10 1  6   o 121.5659 4.264665 303.1241       21.19570 351.1000       32.26445 266.7000       28.11302 130.7332 6.043530 113.9027 6.049361 16.83048       8.550966 
1 1 1 10 1  7   o 841.2648 10.46064 14547.19       360.3425 14400.00       504.8971 14700.00       514.4395 835.3641 14.76056 843.9644 14.88627 -8.600342      20.96366 
1 1 1 10 1  8   o 423.9229 5.765527 3684.062       100.0807 3790.000       145.5277 3589.000       137.8547 429.6827 8.271295 418.1626 8.051042 11.52011       11.54269 
1 1 1 10 1  9   f 229.3186 4.120714 1077.421       38.69334 1055.000       55.25171 1099.000       54.20462 226.7536 5.955844 231.5268 5.717559 -4.773239      8.256062 
1 1 1 10 1  10  o 421.8990 5.761009 3649.925       99.52483 3878.000       148.5124 3464.000       134.0889 434.5116 8.347126 410.7222 7.972971 23.78943       11.54308 
1 1 1 10 1  11  o 118.2130 4.446169 286.8012       21.48330 263.5000       32.00968 305.9000       28.97973 113.0944 6.945699 121.9893 5.818377 -8.894943      9.060699 
1 1 1 10 1  12  o 208.3758 4.081198 889.8266       34.82244 865.9000       50.03615 912.3000       48.49285 205.3582 5.956714 210.8255 5.622351 -5.467361      8.191048 
1 1 1 10 1  13  o 38.33048 10.51099 31.24713       16.98863 7.348000       26.87651 47.15000       21.92400 31.75206 12.99672 46.86615 11.50975 -15.11409      17.36056 
1 1 1 10 1  14  o 103.2218 4.911843 219.0163       20.70106 199.0000       31.82289 233.7000       27.25620 98.04011 7.996438 106.5035 6.277802 -8.463356      10.16631 
1 1 1 10 1  15  o 132.0895 3.391298 357.7776       18.32733 366.5691       22.69587 341.3000       31.07157 133.6517 4.152168 128.8004 5.907170 4.851349       7.220468 
1 1 1 10 1  16  o 55.35657 6.166475 63.72108       13.74051 76.26745       16.96301 39.78000       23.43234 60.50889 6.973766 43.31007 12.51299 17.19881       14.32510 
1 1 1 10 1  17  f 91.84098 4.198532 173.3523       15.74737 166.0825       19.30693 187.8000       27.21776 89.78912 5.274511 95.28625 7.025258 -5.497131      8.784914 
1 1 1 10 1  18  o 223.3701 3.383617 1022.828       30.94787 982.8489       37.44503 1109.000       54.97403 218.8874 4.177813 232.3032 5.779335 -13.41583      7.131258 
1 1 1 10 1  19  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 1  20  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 1  21  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 1  22  o 240.6600 4.179457 1190.629       41.18586 1204.000       60.38825 1179.000       56.31595 241.3717 6.114930 239.0461 5.753409 2.325623       8.396075 
1 1 1 10 1  23  o 256.2565 4.245146 1351.255       44.54428 1372.000       65.10871 1333.000       61.07485 257.4934 6.175164 253.9356 5.873737 3.557877       8.522526 
1 1 1 10 1  24  o 95.64189 3.725349 188.4508       14.56157 192.7290       19.15953 182.6000       22.40575 96.51362 4.863779 93.71124 5.868528 2.802376       7.622071 
1 1 1 10 1  25  o 74.18289 4.150856 113.8133       12.55828 110.5806       17.09816 117.6000       18.50538 72.77314 5.785500 74.98672 6.078917 -2.213585      8.391975 
1 1 1 10 1  26  o 91.00981 3.108757 170.5844       11.56808 178.3889       17.81133 164.8905       15.21357 92.72216 4.706642 89.26437 4.173810 3.457794       6.290721 
1 1 1 10 1  27  o 48.09031 4.748907 48.43639       9.229445 57.20234       14.53530 42.51449       11.94690 51.65792 7.055902 44.49793 6.769934 7.159988       9.778434 
1 1 1 10 1  28  o 62.75424 3.750672 81.72834       9.593796 80.18480       15.03077 82.78948       12.46260 61.50143 6.046687 62.87191 4.879079 -1.370487      7.769674 
1 1 1 10 1  29  o 73.60445 3.650458 112.4626       10.96778 90.73000       19.31592 122.8033       13.32400 64.68199 7.427652 76.73552 4.257153 -12.05353      8.561155 
1 1 1 10 1  30  o 23.62247 7.601621 11.95488       8.349302 6.533630       12.87481 15.88951       10.96838 22.52871 9.078041 26.96155 8.715934 -4.432842      12.58485 
1 1 1 10 1  31  o 39.55227 7.298100 34.94025       11.38434 33.54960       13.37348 38.60000       21.69516 38.11661 8.753386 39.46893 12.19567 -1.352322      15.01187 
1 1 1 10 1  32  o 29.00280 8.421932 19.43151       10.59033 20.40103       12.17138 16.41000       21.48694 29.63067 9.131030 29.52968 11.78614 0.1009903      14.90935 
1 1 1 10 1  33  o 15.27599 7.025681 -5.757382      10.09050 -3.925295      11.47814 -11.99000      21.17064 17.01808 7.697105 21.15319 9.881580 -4.135118      12.52562 
1 1 1 10 1  34  o 36.03513 7.684371 30.45810       10.99226 27.15171       12.50977 41.66000       23.02596 33.29518 8.973947 38.57820 12.63969 -5.283016      15.50140 
1 1 1 10 1  35  o 28.18021 8.575278 19.36486       10.77807 25.14110       12.01818 -4.371000      24.36231 31.83072 8.884051 23.48622 10.84302 8.344505       14.01776 
1 1 1 10 1  36  o 20.20179 9.274539 -4.908490      17.47600 -11.73000      25.01314 1.597000       24.42688 22.31938 10.52507 24.72695 11.20173 -2.407570      15.37062 
1 1 1 10 1  37  o 73.77502 6.669719 123.7719       19.93102 115.6000       28.49458 131.6000       27.88863 66.25664 10.88021 72.40215 9.646842 -6.145508      14.54099 
1 1 1 10 1  38  o 21.86416 9.778328 2.739212       17.94747 -13.65000      25.06618 19.98000       25.70915 21.31787 10.19005 28.51253 12.24693 -7.194658      15.93186 
1 1 1 10 1  39  o 45.31879 10.59049 57.60258       19.29717 42.88000       27.36761 72.16000       27.21368 34.63867 13.46002 46.27942 13.51826 -11.64075      19.07657 
1 1 1 10 2  -38 o 37.64946 11.54300 42.79503       19.48146 50.53000       27.84655 35.38000       27.26457 37.40729 13.79017 32.43179 13.15930 4.975498       19.06137 
1 1 1 10 2  -37 o 26.51580 10.79931 16.15852       18.44349 29.09000       26.67648 4.317000       25.52750 31.47762 12.92347 24.93675 11.35731 6.540869       17.20478 
1 1 1 10 2  -36 o 34.31585 11.36530 32.50704       18.59877 17.78000       26.02488 47.88000       26.58948 28.98982 12.38400 39.17692 13.58346 -10.18710      18.38134 
1 1 1 10 2  -35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 2  -34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 2  -33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 2  -32 o 29.41491 11.13138 18.96084       18.38411 30.32000       26.06796 7.721000       25.93070 34.88744 13.24293 27.88944 12.13877 6.998001       17.96455 
1 1 1 10 2  -31 o 40.70439 10.98079 40.77186       18.72035 41.51000       28.77236 40.23000       24.65185 39.83924 14.10624 39.53257 13.08438 0.3066711      19.24024 
1 1 1 10 2  -30 o 101.7620 5.404857 219.7956       22.44056 207.3000       33.46984 230.0000       30.24596 96.28685 8.578856 102.6849 7.239843 -6.398079      11.22551 
1 1 1 10 2  -29 o 79.55365 6.849073 136.4920       22.09387 122.4000       34.91857 145.9000       28.53118 71.44243 12.38511 81.02202 8.737896 -9.579590      15.15723 
1 1 1 10 2  -28 o 68.75656 7.908711 103.0532       21.86105 118.1000       36.51907 94.65000       27.29107 70.19388 13.18976 64.27599 10.74848 5.917885       17.01469 
1 1 1 10 2  -27 o 99.07858 6.211965 207.2867       25.07507 219.7000       41.97728 200.4000       31.26639 99.32786 10.47866 96.46510 7.987114 2.862762       13.17559 
1 1 1 10 2  -26 o 35.97807 12.26126 27.72236       21.63667 -2.589000      38.14582 42.10000       26.27170 32.64484 14.44748 42.82685 13.44997 -10.18201      19.73909 
1 1 1 10 2  -25 o 122.0968 5.507359 310.4232       27.46329 329.4000       45.70560 299.7000       34.35728 124.0405 9.061244 119.3216 7.063546 4.718918       11.48912 
1 1 1 10 2  -24 o 166.7569 4.887448 575.4678       33.33661 515.6000       50.68882 621.1000       44.25382 156.4686 7.937463 172.6582 6.269905 -16.18958      10.11509 
1 1 1 10 2  -23 o 77.84123 7.858253 127.9228       24.70468 155.2000       41.91244 113.4000       30.58209 84.01263 12.56923 72.33023 10.64374 11.68240       16.47042 
1 1 1 10 2  -22 o 91.58025 6.973155 175.1060       25.95244 192.5000       42.67806 164.9000       32.69137 94.65388 11.22996 88.22682 9.183397 6.427063       14.50679 
1 1 1 10 2  -21 o 111.2081 6.275515 256.4246       28.46063 256.3000       46.36367 256.5000       36.05267 109.9855 10.41903 110.7923 8.000897 -0.8068008     13.13661 
1 1 1 10 2  -20 o 170.2060 5.088602 596.7752       35.42499 568.7000       54.43510 617.4000       46.65659 165.3845 8.062516 172.7646 6.607466 -7.380188      10.42414 
1 1 1 10 2  -19 o 78.41589 8.577821 128.9138       27.09383 174.6000       44.60382 102.2000       34.10728 90.41643 12.37172 68.74244 12.58053 21.67399       17.64452 
1 1 1 10 2  -18 o 101.4053 6.869001 212.8849       28.35358 165.5000       45.16782 243.7000       36.42432 88.01178 12.91746 108.2714 8.278648 -20.25963      15.34264 
1 1 1 10 2  -17 f 55.32582 11.62869 65.99941       25.50610 91.89000       41.56376 50.36000       32.30384 64.77316 15.81142 48.77689 14.84644 15.99627       21.68912 
1 1 1 10 2  -16 o 210.9195 4.839097 913.0814       41.79319 883.2000       62.32244 937.5000       56.33851 206.9723 7.365474 213.4184 6.454289 -6.446091      9.793266 
1 1 1 10 2  -15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 2  -14 o 144.7282 6.805596 431.5000       40.21849 0.000000       0.000000 431.5000       40.21849 ?        ?        144.7282 6.805596 ?              ?        
1 1 1 10 2  -13 f 131.6799 6.745849 357.2000       36.25190 0.000000       0.000000 357.2000       36.25190 ?        ?        131.6799 6.745849 ?              ?        
1 1 1 10 2  -12 o 110.9807 5.947166 253.5379       26.92730 206.6000       44.79249 280.1000       33.69572 99.38943 11.20113 116.5387 7.094844 -17.14925      13.25904 
1 1 1 10 2  -11 f 297.5465 6.686848 1818.000       81.47056 0.000000       0.000000 1818.000       81.47056 ?        ?        297.5465 6.686848 ?              ?        
1 1 1 10 2  -10 o 89.73726 8.194544 166.9000       29.77886 0.000000       0.000000 166.9000       29.77886 ?        ?        89.73726 8.194544 ?              ?        
1 1 1 10 2  -9  o 43.71119 11.46058 40.83318       20.76021 20.52000       34.66788 52.19000       25.92190 39.19595 15.17169 49.34993 12.74076 -10.15398      19.81180 
1 1 1 10 2  -8  o 109.1798 5.284810 244.9677       23.55614 218.0000       36.73547 263.8000       30.69832 102.6100 8.828990 113.1898 6.652765 -10.57978      11.05488 
1 1 1 10 2  -7  o 196.9033 6.476127 796.2000       52.14367 796.2000       52.14367 0.000000       0.000000 196.9033 6.476127 ?        ?        ?              ?        
1 1 1 10 2  -6  o 259.3901 6.546000 1381.000       69.47149 1381.000       69.47149 0.000000       0.000000 259.3901 6.546000 ?        ?        ?              ?        
1 1 1 10 2  -5  o 131.3060 7.374437 354.9000       39.49019 354.9000       39.49019 0.000000       0.000000 131.3060 7.374437 ?        ?        ?              ?        
1 1 1 10 2  -4  o 423.3817 5.837762 3674.915       101.2052 3592.000       141.8019 3761.000       144.4874 418.2917 8.279010 428.0237 8.243998 -9.731903      11.68356 
1 1 1 10 2  -3  o 119.7924 4.825057 294.5378       23.61928 271.7000       38.09435 308.8000       30.10415 114.7654 8.159563 122.5805 6.016017 -7.815147      10.13760 
1 1 1 10 2  -2  o 394.9244 5.560794 3196.884       89.92392 3109.000       126.0387 3288.000       128.3356 389.2274 7.908175 400.2847 7.829857 -11.05728      11.12861 
1 1 1 10 2  -1  o 310.5972 4.799778 1976.786       61.04403 1948.000       87.56690 2004.000       85.14272 308.1844 6.939127 312.6054 6.651609 -4.420929      9.612252 
1 1 1 10 2  0   o 265.7150 4.486073 1446.598       48.80977 1464.000       72.26532 1432.000       66.18911 267.1929 6.605117 264.2869 6.116269 2.906067       9.002018 
1 1 1 10 2  1   o 212.0747 4.269715 921.4356       37.07765 884.7000       54.92117 952.2000       50.25977 207.6134 6.468300 215.4539 5.701952 -7.840546      8.622712 
1 1 1 10 2  2   o 133.0504 4.567246 363.1424       24.84566 352.4000       39.29113 370.3000       32.07197 130.8571 7.362544 134.2738 5.847260 -3.416656      9.401995 
1 1 1 10 2  3   o 124.0495 4.622068 315.7473       23.43666 283.6000       36.17545 339.0000       30.76650 117.3237 7.570569 128.4599 5.864532 -11.13620      9.576338 
1 1 1 10 2  4   o 204.0950 6.181614 854.9000       51.60096 854.9000       51.60096 0.000000       0.000000 204.0950 6.181614 ?        ?        ?              ?        
1 1 1 10 2  5   o 361.3394 5.191002 2676.170       76.80525 2616.000       107.8873 2738.000       109.3658 357.0493 7.379344 365.2877 7.311766 -8.238373      10.38829 
1 1 1 10 2  6   o 401.9559 5.566074 3312.399       91.61187 3348.000       131.6760 3279.000       127.5405 403.8226 7.963273 399.6631 7.793446 4.159454       11.14233 
1 1 1 10 2  7   o 211.1883 4.106670 913.8571       35.51273 907.1000       52.15014 919.7000       48.49411 210.2208 6.064703 211.7167 5.598745 -1.495895      8.253882 
1 1 1 10 2  8   o 88.88649 5.257017 162.5501       19.04828 158.9000       30.43735 164.9000       24.42186 87.51546 8.604870 89.39202 6.721217 -1.876556      10.91872 
1 1 1 10 2  9   o 417.4456 5.724095 3574.141       97.84332 3643.000       141.4696 3511.000       135.4682 421.0507 8.205483 413.3892 8.003017 7.661560       11.46203 
1 1 1 10 2  10  o 253.5825 3.483889 1317.504       36.17495 1292.360       44.13147 1369.000       63.15673 251.1033 4.292117 258.3070 5.971166 -7.203659      7.353713 
1 1 1 10 2  11  f 161.1446 4.140952 532.6067       27.30112 530.5000       41.60332 534.2000       36.18123 160.6318 6.337606 161.2764 5.486823 -0.6446228     8.382749 
1 1 1 10 2  12  o 191.4765 4.132051 751.5646       32.39706 733.4000       48.31836 766.4000       43.66668 188.8941 6.255599 193.1839 5.525879 -4.289841      8.346727 
1 1 1 10 2  13  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 2  14  o 111.7382 4.857722 256.6237       22.17277 230.6000       35.48001 273.3000       28.40204 105.4982 8.279529 115.1991 6.042231 -9.700851      10.24984 
1 1 1 10 2  15  o 188.7493 3.331099 730.1661       25.74526 725.6097       32.22946 738.2000       42.79596 188.1023 4.184412 189.5314 5.520268 -1.429062      6.926951 
1 1 1 10 2  16  o 149.8617 3.428365 460.3825       21.03788 465.2728       26.84587 452.6000       33.86668 150.5348 4.359876 148.3323 5.585848 2.202484       7.085917 
1 1 1 10 2  17  f 96.46995 4.224574 191.3103       16.64735 201.1784       21.76546 177.4000       25.84164 98.80780 5.400156 92.57223 6.866224 6.235573       8.735372 
1 1 1 10 2  18  o 178.6250 3.440501 654.3423       25.16450 649.7200       32.11043 661.7000       40.51229 177.8976 4.408103 179.3062 5.524405 -1.408615      7.067561 
1 1 1 10 2  19  o 111.4436 4.033415 255.3051       18.37534 263.6783       24.43173 244.4000       27.88207 113.0964 5.290370 108.7172 6.290147 4.379250       8.219122 
1 1 1 10 2  20  o 171.8203 3.443633 605.8873       24.22790 582.1900       30.90082 643.7000       39.03363 168.2257 4.489951 176.7091 5.400896 -8.483353      7.023485 
1 1 1 10 2  21  o 30.42189 9.737067 19.02440       13.71236 22.36236       19.67230 15.87000       19.12375 33.89270 11.68701 30.75644 11.41173 3.136261       16.33443 
1 1 1 10 2  22  o 133.7807 6.073435 371.1000       33.18319 371.1000       33.18319 0.000000       0.000000 133.7807 6.073435 ?        ?        ?              ?        
1 1 1 10 2  23  o 54.41478 5.994902 62.09357       13.13636 46.99968       18.81133 76.46000       18.35242 46.23306 10.20981 60.05131 7.636018 -13.81824      12.74947 
1 1 1 10 2  24  o 83.47464 7.514325 147.1000       25.40974 147.1000       25.40974 0.000000       0.000000 83.47464 7.514325 ?        ?        ?              ?        
1 1 1 10 2  25  o 111.9506 6.385732 262.6000       29.15120 262.6000       29.15120 0.000000       0.000000 111.9506 6.385732 ?        ?        ?              ?        
1 1 1 10 2  26  o 39.87246 6.882904 34.34244       10.83144 36.78093       16.80636 32.61000       14.16584 40.39267 10.16945 38.23501 9.166994 2.157658       13.69130 
1 1 1 10 2  27  o 78.21775 3.892754 126.9233       12.42853 112.3283       17.52246 141.7000       17.63123 72.93768 5.917829 82.22033 5.264618 -9.282646      7.920663 
1 1 1 10 2  28  o 39.48836 7.581530 34.46221       11.81330 37.26999       15.35500 30.39000       18.49199 40.42527 9.447055 36.31856 11.26570 4.106716       14.70247 
1 1 1 10 2  29  o 21.09452 8.537432 5.276638       11.44256 8.037652       14.61413 0.9022000      18.39500 24.15368 9.693035 23.60999 10.25053 0.5436954      14.10774 
1 1 1 10 2  30  o 64.26962 4.874976 87.36737       12.73360 86.65354       15.95448 88.62000       21.13468 63.37438 6.228537 62.82090 8.428602 0.5534744      10.48027 
1 1 1 10 2  31  o 65.65522 4.806797 91.41276       12.83303 96.53391       15.89357 81.82000       21.75252 66.92898 5.858406 59.45958 9.233772 7.469398       10.93542 
1 1 1 10 2  32  o 42.53414 7.382099 41.03983       12.39102 42.43210       15.18926 38.27000       21.42409 42.29408 9.044514 38.34458 12.15950 3.949497       15.15443 
1 1 1 10 2  33  o 20.65673 8.516314 5.493036       11.64773 1.895426       13.80996 14.36000       21.68068 20.44608 8.879221 27.90930 11.57321 -7.463221      14.58697 
1 1 1 10 2  34  o 21.44405 8.696179 7.351364       11.89906 2.888209       13.73356 20.79000       23.83086 20.54798 8.889251 29.92090 12.24165 -9.372923      15.12867 
1 1 1 10 2  35  o 22.36350 8.797196 9.438444       11.80912 11.48601       13.41861 2.406000       24.86806 23.92576 9.387844 25.07017 11.33518 -1.144405      14.71794 
1 1 1 10 2  36  o 15.78276 7.366083 -7.598081      11.72033 -2.573912      13.25053 -25.66000      25.12367 18.31189 8.277343 20.10943 9.757924 -1.797535      12.79576 
1 1 1 10 2  37  o 19.88720 8.419154 4.781840       11.84202 0.1204730      13.43278 21.04000       25.08679 19.03748 8.490552 29.01108 12.26654 -9.973602      14.91836 
1 1 1 10 2  38  o 25.87382 10.76949 15.64798       18.87414 17.55000       27.70166 14.00000       25.78538 27.64866 12.27011 26.54689 11.80634 1.101772       17.02778 
1 1 1 10 3  -37 f 39.25353 9.340797 40.64192       14.79519 38.72058       17.38424 45.69000       28.17844 36.67733 10.82926 35.77644 13.72259 0.9008980      17.48092 
1 1 1 10 3  -36 o 31.18463 9.888556 25.81356       14.16906 25.50774       16.61210 26.63000       27.14297 30.61614 10.72882 30.93422 12.89841 -0.3180828     16.77726 
1 1 1 10 3  -35 f 49.34706 7.291342 56.57933       14.28998 60.67438       16.71550 45.46000       27.54416 50.17260 8.435320 38.09489 13.76547 12.07771       16.14444 
1 1 1 10 3  -34 o 26.26523 10.74504 13.68865       18.35812 17.84000       25.79675 9.429000       26.13107 29.20380 12.39741 27.08459 11.97357 2.119215       17.23549 
1 1 1 10 3  -33 o 26.49720 10.78787 13.97053       18.39654 14.88000       25.60417 13.00000       26.44971 28.51716 12.23495 28.21204 12.26964 0.3051186      17.32738 
1 1 1 10 3  -32 o 55.70435 8.572648 73.12481       18.92764 79.48000       26.59320 66.60000       26.94573 54.60185 12.20185 48.70173 13.18950 5.900124       17.96797 
1 1 1 10 3  -31 o 17.03284 8.230653 -22.51801      17.40625 -1.012000      24.52131 -44.36000      24.71211 25.24734 11.34961 18.30001 9.040643 6.947330       14.51023 
1 1 1 10 3  -30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 3  -29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 3  -28 o 25.51059 10.74129 5.690330       19.10581 7.420000       33.72728 4.873000       23.18453 31.81660 13.84602 27.15768 11.64692 4.658922       18.09318 
1 1 1 10 3  -27 o 113.9456 5.446386 273.2281       25.33793 234.1000       41.37937 296.7000       32.04897 102.2162 10.01482 117.9665 6.661923 -15.75024      12.02821 
1 1 1 10 3  -26 o 94.65943 6.106557 189.1971       23.54298 213.2000       41.49210 177.8000       28.59113 97.70668 10.53735 90.91402 7.754206 6.792656       13.08295 
1 1 1 10 3  -25 o 30.42760 11.72157 15.44834       20.62153 8.610000       38.20350 18.26000       24.49679 34.96167 14.97138 32.87155 12.74525 2.090122       19.66173 
1 1 1 10 3  -24 o 32.18520 11.90898 19.07680       20.80067 -5.686000      38.42653 29.34000       24.73846 32.43183 14.41876 37.50582 13.09618 -5.073990      19.47847 
1 1 1 10 3  -23 o 32.41830 12.15067 18.34598       21.78877 59.26000       39.52195 0.4805000      26.11618 50.86433 16.55272 28.50941 12.29553 22.35491       20.61971 
1 1 1 10 3  -22 o 72.80457 10.27391 114.7000       29.77762 0.000000       0.000000 114.7000       29.77762 ?        ?        72.80457 10.27391 ?              ?        
1 1 1 10 3  -21 o 50.18719 13.78225 56.43000       29.18452 0.000000       0.000000 56.43000       29.18452 ?        ?        50.18719 13.78225 ?              ?        
1 1 1 10 3  -20 o 34.88266 12.89208 21.18194       24.36418 41.98000       45.79338 12.97000       28.77493 47.53810 17.65511 33.76841 13.58401 13.76970       22.27618 
1 1 1 10 3  -19 o 88.35032 7.616218 163.0332       27.28448 140.3000       49.42105 173.0000       32.72346 79.39510 15.75795 90.70495 8.926085 -11.30984      18.11044 
1 1 1 10 3  -18 o 150.0850 5.408340 464.3125       33.18296 425.8000       55.70097 485.5000       41.31439 142.6767 9.589918 153.2252 6.600344 -10.54842      11.64178 
1 1 1 10 3  -17 o 53.26358 12.29008 61.76385       26.25976 79.66000       48.58900 54.38000       31.21041 60.35319 18.17399 50.10587 14.43048 10.24732       23.20630 
1 1 1 10 3  -16 o 201.5946 4.976056 834.8789       41.07603 837.5000       65.73735 833.2000       52.61138 201.2191 7.994360 201.0699 6.398254 0.1492920      10.23950 
1 1 1 10 3  -15 o 142.8491 9.527256 424.1000       55.40900 424.1000       55.40900 0.000000       0.000000 142.8491 9.527256 ?        ?        ?              ?        
1 1 1 10 3  -14 o 233.6548 4.849720 1120.550       46.39976 1089.000       71.05971 1144.000       61.26311 229.8092 7.561769 235.7920 6.350986 -5.982864      9.874987 
1 1 1 10 3  -13 o 243.7559 4.748270 1219.134       47.39308 1298.000       74.28585 1165.000       61.54539 251.0534 7.233836 237.9998 6.320903 13.05359       9.606362 
1 1 1 10 3  -12 f 109.8959 6.121806 248.8472       27.43884 259.7000       46.63305 243.1000       33.93499 111.6369 10.31815 108.4137 7.694325 3.223190       12.87117 
1 1 1 10 3  -11 o 179.7992 4.753278 663.5518       34.96426 580.3000       52.95403 727.9000       46.55548 167.7707 7.729066 188.1769 6.049854 -20.40622      9.815253 
1 1 1 10 3  -10 o 247.3117 4.620910 1254.289       46.79469 1315.000       71.58993 1209.000       61.83248 252.8746 6.920395 242.5635 6.230551 10.31104       9.311908 
1 1 1 10 3  -9  o 81.57607 7.103515 137.7647       23.49158 99.84000       39.09260 159.2000       29.38989 68.06841 14.47174 87.57768 8.294437 -19.50927      16.68019 
1 1 1 10 3  -8  o 20.47838 9.596926 -20.68604      20.23551 -78.45000      35.87802 6.261000       24.50504 22.20487 10.95543 30.18934 12.38954 -7.984470      16.53850 
1 1 1 10 3  -7  o 153.4449 4.716430 483.1887       29.59882 549.2000       49.09737 445.5000       37.09836 163.3399 7.359675 147.2070 6.168299 16.13290       9.602746 
1 1 1 10 3  -6  o 154.1275 5.950833 488.1000       37.48570 0.000000       0.000000 488.1000       37.48570 ?        ?        154.1275 5.950833 ?              ?        
1 1 1 10 3  -5  o 337.0270 7.039011 2332.000       97.14059 0.000000       0.000000 2332.000       97.14059 ?        ?        337.0270 7.039011 ?              ?        
1 1 1 10 3  -4  o 169.5960 5.747025 590.6000       39.85247 0.000000       0.000000 590.6000       39.85247 ?        ?        169.5960 5.747025 ?              ?        
1 1 1 10 3  -3  o 355.0334 5.197293 2584.299       75.55632 2509.000       106.0235 2662.000       107.7018 349.5701 7.407021 360.0849 7.304553 -10.51480      10.40291 
1 1 1 10 3  -2  o 383.9155 7.789618 3027.000       122.4549 3027.000       122.4549 0.000000       0.000000 383.9155 7.789618 ?        ?        ?              ?        
1 1 1 10 3  -1  o 156.1639 6.650483 501.3000       42.42899 501.3000       42.42899 0.000000       0.000000 156.1639 6.650483 ?        ?        ?              ?        
1 1 1 10 3  0   o 152.7357 6.714024 479.6000       41.88761 479.6000       41.88761 0.000000       0.000000 152.7357 6.714024 ?        ?        ?              ?        
1 1 1 10 3  1   o 289.9749 4.644001 1723.393       55.14132 1678.000       78.32404 1768.000       77.64363 285.9648 6.688952 293.5557 6.459382 -7.590881      9.298694 
1 1 1 10 3  2   o 338.3790 5.024830 2347.265       69.62244 2338.000       99.94331 2356.000       97.04273 337.4772 7.232440 338.8030 6.995058 -1.325836      10.06176 
1 1 1 10 3  3   o 85.98486 4.206301 151.8703       14.76478 144.2867       18.19345 166.5000       25.26951 83.71806 5.335033 89.80338 6.925408 -6.085312      8.742074 
1 1 1 10 3  4   o 332.3789 4.964978 2264.843       67.57332 2331.000       98.93721 2207.000       92.51221 336.9558 7.170713 327.9057 6.890102 9.050079       9.944478 
1 1 1 10 3  5   o 273.6676 4.498555 1535.089       50.41049 1533.000       72.93887 1537.000       69.75037 273.3112 6.517443 273.6962 6.223768 -0.3849792     9.011789 
1 1 1 10 3  6   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 3  7   o 157.4499 4.274084 508.5081       27.53011 462.5000       41.23764 545.5000       36.97683 149.9357 6.734013 162.9780 5.548942 -13.04225      8.725691 
1 1 1 10 3  8   o 334.8695 4.019056 2298.354       55.10920 2327.677       68.37698 2244.000       93.09487 336.9037 4.956552 330.5405 6.878229 6.363220       8.478056 
1 1 1 10 3  9   o 42.74532 7.723062 38.71457       13.02031 50.54455       16.27073 17.65000       21.71158 48.87617 8.434613 32.95819 12.17199 15.91798       14.80878 
1 1 1 10 3  10  o 557.7562 5.897131 6386.247       134.6820 6377.352       165.0062 6404.000       233.1204 556.9918 7.234811 557.0411 10.22042 -0.4937744E-01 12.52196 
1 1 1 10 3  11  o 136.8407 3.476232 384.0027       19.46242 375.5935       24.40306 398.7000       32.26175 135.2652 4.411792 139.2509 5.669888 -3.985733      7.184117 
1 1 1 10 3  12  f 445.8079 4.918085 4077.775       89.77763 4094.890       110.7657 4045.000       153.2792 446.4945 6.058493 443.0858 8.448335 3.408691       10.39614 
1 1 1 10 3  13  o 164.7287 3.399789 556.1843       22.93220 580.4415       29.43131 518.7000       36.58594 168.1738 4.277396 158.8271 5.634480 9.346710       7.074142 
1 1 1 10 3  14  o 203.4233 4.018257 848.6774       33.47055 840.6000       47.71834 856.5000       46.95977 202.1873 5.769676 204.1140 5.623969 -1.926727      8.057182 
1 1 1 10 3  15  o 116.1442 4.007044 277.0330       19.02809 279.8914       25.28443 273.3000       28.89513 116.6074 5.309378 115.1165 6.152380 1.490944       8.126578 
1 1 1 10 3  16  o 122.9574 3.868408 310.4705       19.45229 326.5626       26.08204 290.3000       29.20077 125.9728 5.066727 118.6303 6.031170 7.342445       7.876975 
1 1 1 10 3  17  o 265.0001 3.660011 1440.820       39.71484 1422.776       49.61514 1473.000       66.25893 263.1729 4.604142 267.4515 6.050272 -4.278687      7.602889 
1 1 1 10 3  18  o 138.8544 3.627885 395.9897       20.60941 401.5392       27.60400 389.0000       30.97935 139.6548 4.834450 137.3378 5.520056 2.317001       7.337774 
1 1 1 10 3  19  o 165.8557 3.446944 564.6869       23.40933 567.4578       30.80540 560.9000       36.01280 166.0403 4.535192 164.9082 5.340270 1.132095       7.006172 
1 1 1 10 3  20  o 102.2490 3.989357 215.2741       16.67064 199.9627       22.61373 233.5000       24.67222 98.25546 5.644462 106.1897 5.694991 -7.934219      8.018284 
1 1 1 10 3  21  o 65.29279 5.284733 88.60661       14.00839 116.0052       20.11606 62.81000       19.51912 74.47021 6.667310 53.99418 9.155272 20.47603       11.32572 
1 1 1 10 3  22  o 152.5991 3.398034 478.8074       21.23264 506.0708       28.73094 446.0000       31.51706 156.5721 4.485998 146.7515 5.253392 9.820541       6.908134 
1 1 1 10 3  23  o 45.24404 6.970973 43.72120       12.50038 38.41224       19.49198 47.43000       16.29175 41.47866 11.21132 46.63958 8.854534 -5.160919      14.28624 
1 1 1 10 3  24  o 36.81089 8.042465 29.70949       11.78267 31.53877       18.86760 28.54000       15.08604 37.67533 11.32055 35.85575 9.933481 1.819580       15.06084 
1 1 1 10 3  25  o 21.36885 8.525599 5.509297       11.23860 -4.341801      18.07337 11.72000       14.35050 22.31680 9.907030 26.18068 9.850726 -3.863876      13.97090 
1 1 1 10 3  26  o 46.54468 10.09434 49.21942       18.68356 49.21942       18.68356 0.000000       0.000000 46.54468 10.09434 ?        ?        ?              ?        
1 1 1 10 3  27  o 115.3347 4.846266 278.3460       22.83614 278.3460       22.83614 0.000000       0.000000 115.3347 4.846266 ?        ?        ?              ?        
1 1 1 10 3  28  o 22.85127 10.57850 -13.37000      23.41955 -13.37000      23.41955 0.000000       0.000000 22.85127 10.57850 ?        ?        ?              ?        
1 1 1 10 3  29  o 59.22625 11.23986 84.07000       26.26152 84.07000       26.26152 0.000000       0.000000 59.22625 11.23986 ?        ?        ?              ?        
1 1 1 10 3  30  o 22.81062 9.681956 4.090189       15.72962 4.090189       15.72962 0.000000       0.000000 22.81062 9.681956 ?        ?        ?              ?        
1 1 1 10 3  31  o 39.39809 11.33536 39.48000       19.26693 39.48000       19.26693 0.000000       0.000000 39.39809 11.33536 ?        ?        ?              ?        
1 1 1 10 3  32  o 88.55840 5.218481 169.1601       18.83948 169.1601       18.83948 0.000000       0.000000 88.55840 5.218481 ?        ?        ?              ?        
1 1 1 10 3  33  o 22.28811 8.815696 9.066657       11.91721 10.74442       14.29063 5.236000       21.59351 23.96008 9.595472 24.75365 10.91631 -0.7935791     14.53406 
1 1 1 10 3  34  o 34.45509 8.943415 29.53714       12.72645 28.80090       14.82456 31.60000       24.81453 33.35130 10.03760 33.53671 12.87393 -0.1854134     16.32456 
1 1 1 10 3  35  f 23.29613 9.093615 10.92507       12.53661 10.82645       14.61315 11.20000       24.39892 23.93475 9.661959 26.93250 11.74770 -2.997749      15.21059 
1 1 1 10 3  36  o 21.36013 8.850199 7.219580       12.66414 10.63604       14.53180 -3.568000      25.82220 23.49693 9.579868 23.56496 10.97663 -0.6802559E-01 14.56916 
1 1 1 10 3  37  f 17.05736 7.830830 -3.791011      12.45807 -4.653765      14.15035 -0.8173000     26.27078 17.85544 8.250623 23.66076 11.03800 -5.805315      13.78080 
1 1 1 10 4  -36 o 31.19385 10.04485 26.87885       14.57722 28.46892       17.16765 22.77000       27.59708 31.40555 10.91324 29.05696 12.58562 2.348589       16.65823 
1 1 1 10 4  -35 o 59.50506 6.351104 80.54758       15.23594 80.10253       17.85427 81.74000       29.22470 58.03884 7.702744 51.03756 13.69885 7.001278       15.71594 
1 1 1 10 4  -34 o 56.81070 6.553065 73.14463       14.96498 80.04674       17.64109 55.43000       28.26184 58.59346 7.526397 41.76646 14.01425 16.82699       15.90741 
1 1 1 10 4  -33 o 53.13408 6.827708 64.37865       14.51206 53.14190       16.82290 97.06000       28.69000 46.37343 9.184433 59.47061 12.19138 -13.09718      15.26380 
1 1 1 10 4  -32 o 31.10686 9.439783 24.30292       13.07300 8.564681       14.87059 77.85000       27.42950 23.25286 9.608179 52.36754 12.88197 -29.11468      16.07054 
1 1 1 10 4  -31 o 30.95957 9.117752 23.38980       12.33658 27.24556       14.04746 10.39000       25.79355 33.07488 9.726481 27.88434 12.12192 5.190538       15.54173 
1 1 1 10 4  -30 o 33.96659 8.629637 27.34582       12.02450 26.12903       13.57443 31.78000       25.91321 32.86878 9.532120 35.31897 13.24816 -2.450188      16.32100 
1 1 1 10 4  -29 o 103.2992 4.377033 224.5574       18.47208 243.3000       23.28015 192.7000       30.35123 106.8323 5.338722 92.71298 8.075359 14.11929       9.680567 
1 1 1 10 4  -28 o 59.57241 5.968626 76.42345       14.36353 90.55000       17.49599 47.22000       25.15576 64.47888 6.725445 42.99344 13.10432 21.48544       14.72939 
1 1 1 10 4  -27 o 11.26749 5.644187 -30.18235      11.09324 -31.16000      12.86611 -27.35000      21.89926 12.59855 6.274789 19.42408 9.347421 -6.825533      11.25821 
1 1 1 10 4  -26 o 97.47446 4.056053 197.7311       16.15359 208.2124       19.38305 173.9000       29.22724 99.72648 4.760395 89.27364 8.082893 10.45284       9.380540 
1 1 1 10 4  -25 o 98.51294 4.858460 202.8040       19.53775 202.8040       19.53775 0.000000       0.000000 98.51294 4.858460 ?        ?        ?              ?        
1 1 1 10 4  -24 o 72.82478 5.613396 111.4442       16.60990 111.4442       16.60990 0.000000       0.000000 72.82478 5.613396 ?        ?        ?              ?        
1 1 1 10 4  -23 o 46.81182 6.648123 46.80795       12.38528 32.38364       14.31883 89.66000       24.68005 38.14525 9.261374 63.89996 9.739876 -25.75471      13.44017 
1 1 1 10 4  -22 o 125.1831 3.610528 323.0908       18.48787 327.4651       22.54101 314.1000       32.31614 125.8217 4.381843 122.4889 6.466058 3.332855       7.810919 
1 1 1 10 4  -21 o 66.72704 5.135312 92.66469       13.92329 97.20728       16.44593 81.17000       26.16106 68.16653 5.951628 60.70250 10.92682 7.464024       12.44256 
1 1 1 10 4  -20 o 94.37637 6.551814 185.9347       25.16197 209.5000       49.22599 177.6000       29.27545 97.82667 12.57974 91.83850 7.860435 5.988167       14.83362 
1 1 1 10 4  -19 o 106.8635 6.250515 237.3069       27.23137 245.7000       51.79112 234.1000       32.01381 106.6665 12.06958 105.8136 7.436106 0.8528900      14.17640 
1 1 1 10 4  -18 o 37.19542 12.77664 27.40834       23.50426 29.95000       47.19482 26.57000       27.10482 44.75190 17.59196 37.85882 13.65857 6.893078       22.27181 
1 1 1 10 4  -17 o 49.89256 12.14859 54.63274       24.58386 111.9000       49.80971 36.19000       28.26660 70.31266 17.39662 42.04302 14.01383 28.26964       22.33897 
1 1 1 10 4  -16 o 133.0055 5.726035 365.0923       31.11211 353.0000       55.96860 370.5000       37.42769 129.5195 10.64714 133.7594 6.856394 -4.239899      12.66380 
1 1 1 10 4  -15 o 141.8713 5.582470 414.8074       32.36658 418.5000       57.56121 413.1000       39.14044 141.4867 9.999930 141.3581 6.781869 0.1286011      12.08273 
1 1 1 10 4  -14 o 39.83133 13.12761 31.97375       24.82349 82.20000       47.88900 13.52000       29.02770 61.29934 17.94024 34.43447 13.71385 26.86488       22.58145 
1 1 1 10 4  -13 o 75.98644 8.241381 120.5778       25.23242 98.94000       45.81251 130.0000       30.23101 67.06783 16.73653 78.67408 9.581563 -11.60625      19.28517 
1 1 1 10 4  -12 o 49.54261 7.841956 51.81391       15.37942 52.11103       18.22865 51.08000       28.64897 49.41576 9.351134 48.76275 13.75496 0.6530075      16.63258 
1 1 1 10 4  -11 f 151.2384 4.942755 469.9839       30.56835 476.4000       50.18821 466.2000       38.54223 151.8114 8.103061 150.4630 6.269536 1.348419       10.24532 
1 1 1 10 4  -10 o 116.6800 3.866512 279.4395       18.44761 283.0949       22.38404 271.7000       32.57081 117.3742 4.666681 114.7221 6.966408 2.652077       8.385032 
1 1 1 10 4  -9  o 104.3396 4.096852 223.5732       17.46944 217.3546       21.20746 236.7000       30.81210 102.7931 5.053980 107.0507 7.068789 -4.257523      8.689677 
1 1 1 10 4  -8  o 116.5224 5.394765 279.2630       25.67002 247.0000       42.71642 297.5000       32.11588 108.9854 9.672330 120.1475 6.552811 -11.16211      11.68303 
1 1 1 10 4  -7  o 273.0067 3.702696 1527.639       41.39194 1553.021       51.43677 1481.000       69.72318 275.1866 4.564803 268.5208 6.341249 6.665771       7.813377 
1 1 1 10 4  -6  o 191.1328 3.424331 748.6218       26.80004 769.0699       33.45564 712.0000       44.77259 193.6797 4.218526 186.1411 5.881538 7.538589       7.237987 
1 1 1 10 4  -5  o 207.5885 4.387439 883.5396       37.29399 979.5000       59.08767 820.0000       48.08096 218.2717 6.618769 199.7844 5.883836 18.48724       8.855937 
1 1 1 10 4  -4  o 286.9967 4.697268 1689.077       55.20097 1735.000       81.98904 1651.000       74.65700 290.6022 6.890211 283.5436 6.430227 7.058594       9.424586 
1 1 1 10 4  -3  o 123.9324 4.958712 315.5099       25.11311 262.5000       40.28642 349.2000       32.11676 112.5833 8.809063 130.2918 6.036319 -17.70850      10.67880 
1 1 1 10 4  -2  o 373.4863 5.382553 2861.678       82.31660 2855.000       118.0444 2868.000       114.8479 372.6499 7.736065 373.5424 7.508594 -0.8924561     10.78080 
1 1 1 10 4  -1  o 275.5745 6.283158 1559.000       70.89922 0.000000       0.000000 1559.000       70.89922 ?        ?        275.5745 6.283158 ?              ?        
1 1 1 10 4  0   o 138.0148 3.897347 390.6969       22.00312 361.8000       28.99998 429.9000       33.77784 132.6980 5.348100 144.6332 5.714724 -11.93515      7.826892 
1 1 1 10 4  1   o 85.82747 4.735910 151.5051       16.57935 133.5000       21.48655 178.0000       26.06448 80.36369 6.587298 92.83670 6.906006 -12.47301      9.543868 
1 1 1 10 4  2   o 207.1900 3.428439 879.6058       29.08638 868.8716       36.15432 899.3000       48.97158 205.8743 4.288779 209.2661 5.720425 -3.391861      7.149607 
1 1 1 10 4  3   o 198.1518 3.896421 804.7455       31.61464 779.3000       42.80013 835.3000       46.90038 194.8260 5.370173 201.6763 5.685003 -6.850311      7.820359 
1 1 1 10 4  4   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 4  5   o 228.9665 4.293771 1074.822       40.25642 1074.822       40.25642 0.000000       0.000000 228.9665 4.293771 ?        ?        ?              ?        
1 1 1 10 4  6   o 185.2664 4.230278 703.7108       32.09149 703.7108       32.09149 0.000000       0.000000 185.2664 4.230278 ?        ?        ?              ?        
1 1 1 10 4  7   o 355.6366 4.247609 2593.212       61.85507 2532.658       74.37915 2729.000       111.3808 351.3370 5.170147 364.2766 7.467150 -12.93958      9.082331 
1 1 1 10 4  8   o 303.0936 3.861892 1883.219       47.92933 1866.499       58.89750 1916.000       82.46902 301.6445 4.768447 305.3481 6.595856 -3.703644      8.139006 
1 1 1 10 4  9   o 274.5638 3.703977 1545.331       41.64241 1504.990       50.79659 1628.000       72.71652 270.8672 4.579875 281.4794 6.309023 -10.61215      7.796091 
1 1 1 10 4  10  o 23.91830 9.601096 5.550027       14.34217 -2.562759      18.68656 17.18000       22.37349 23.89014 10.35200 32.98646 12.32302 -9.096317      16.09413 
1 1 1 10 4  11  f 348.6918 4.178745 2493.836       59.66397 2470.387       73.26678 2540.000       102.7998 346.8836 5.158208 351.2906 7.146628 -4.406952      8.813705 
1 1 1 10 4  12  o 100.8152 4.238833 208.8754       17.45930 224.2083       22.99394 188.0000       26.82989 104.3378 5.400424 95.32183 6.921027 9.015945       8.778679 
1 1 1 10 4  13  o 81.39624 4.887262 136.5360       16.21398 141.9559       21.85421 129.9000       24.18215 82.79910 6.497949 79.01779 7.566189 3.781311       9.973493 
1 1 1 10 4  14  o 190.9593 4.196670 748.4500       32.81481 821.7000       52.67741 702.0000       41.94817 199.6434 6.452317 184.6832 5.553347 14.96022       8.513052 
1 1 1 10 4  15  o 57.87444 6.501838 69.89754       15.14186 77.20283       21.09283 62.13000       21.74993 60.42358 8.782113 53.77376 10.25196 6.649826       13.49919 
1 1 1 10 4  16  o 120.5853 3.791422 298.8041       18.69739 290.6147       24.69737 309.8000       28.61794 118.7431 5.091290 122.5016 5.721020 -3.758438      7.658414 
1 1 1 10 4  17  o 123.9250 3.696629 315.6432       18.73715 319.9291       24.95070 310.1000       28.37501 124.5827 4.900594 122.5099 5.671795 2.072746       7.495671 
1 1 1 10 4  18  o 166.1220 3.978326 567.2842       27.06150 529.8000       39.97306 599.0000       36.76889 159.9889 6.112979 170.3625 5.277232 -10.37363      8.075747 
1 1 1 10 4  19  o 93.60101 4.191479 180.6677       16.02393 150.8853       22.11276 213.6000       23.25272 85.09904 6.392637 101.5144 5.615875 -16.41532      8.509047 
1 1 1 10 4  20  o 58.87654 5.757341 72.44991       13.70278 92.75841       20.69298 56.59000       18.28667 66.18835 7.783762 51.14717 9.063234 15.04118       11.94693 
1 1 1 10 4  21  o 37.10237 9.094085 30.24832       13.70706 32.87000       24.91186 29.11000       16.41529 39.37149 13.15668 36.42825 10.45733 2.943245       16.80637 
1 1 1 10 4  22  o 65.77792 5.089749 90.18929       13.60227 112.1794       20.88130 73.98000       17.92777 72.83677 7.091024 58.85838 7.617092 13.97839       10.40686 
1 1 1 10 4  23  o 21.36072 8.618224 4.870694       11.61957 39.80622       19.24820 -15.16000      14.57486 41.92765 11.05569 17.03872 8.034678 24.88894       13.66691 
1 1 1 10 4  24  o 39.04741 11.40145 34.77288       19.36147 34.77288       19.36147 0.000000       0.000000 39.04741 11.40145 ?        ?        ?              ?        
1 1 1 10 4  25  o 31.23015 11.51380 19.14217       19.41257 19.14217       19.41257 0.000000       0.000000 31.23015 11.51380 ?        ?        ?              ?        
1 1 1 10 4  26  o 24.58320 10.45291 3.543370       18.39035 3.543370       18.39035 0.000000       0.000000 24.58320 10.45291 ?        ?        ?              ?        
1 1 1 10 4  27  o 30.50373 10.25368 20.68222       15.12886 20.68222       15.12886 0.000000       0.000000 30.50373 10.25368 ?        ?        ?              ?        
1 1 1 10 4  28  o 38.47939 10.52295 35.55112       17.05415 35.55112       17.05415 0.000000       0.000000 38.47939 10.52295 ?        ?        ?              ?        
1 1 1 10 4  29  o 38.31319 10.33595 35.65107       16.58600 35.65107       16.58600 0.000000       0.000000 38.31319 10.33595 ?        ?        ?              ?        
1 1 1 10 4  30  o 62.51184 6.773100 86.60320       17.06036 86.60320       17.06036 0.000000       0.000000 62.51184 6.773100 ?        ?        ?              ?        
1 1 1 10 4  31  o 56.44948 7.384411 72.69464       16.65985 72.69464       16.65985 0.000000       0.000000 56.44948 7.384411 ?        ?        ?              ?        
1 1 1 10 4  32  o 20.43143 9.892024 -25.72000      25.44872 -25.72000      25.44872 0.000000       0.000000 20.43143 9.892024 ?        ?        ?              ?        
1 1 1 10 4  33  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10 4  34  o 25.14824 10.60009 10.62000       18.63871 10.62000       18.63871 0.000000       0.000000 25.14824 10.60009 ?        ?        ?              ?        
1 1 1 10 4  35  o 30.28673 10.35044 24.55453       15.42031 16.12000       19.12198 40.24000       26.07662 26.75235 10.95784 35.51283 13.29629 -8.760471      17.22979 
1 1 1 10 4  36  o 23.59283 9.743107 11.27688       15.27941 7.659000       18.91551 18.07000       25.91944 23.42335 10.27718 27.70245 12.09542 -4.279097      15.87198 
1 1 1 10 5  -35 o 35.86529 9.823979 35.04677       14.84994 37.70599       17.59018 28.45000       27.70504 36.02309 10.95362 30.51755 12.89652 5.505533       16.92046 
1 1 1 10 5  -34 o 24.43482 9.663085 12.99551       14.31603 10.30286       16.92719 19.76000       26.82951 24.07528 10.12208 28.95064 12.47388 -4.875355      16.06406 
1 1 1 10 5  -33 f 32.33197 9.893341 27.13023       14.31991 27.57988       16.80860 25.94000       27.34684 32.12987 10.80798 31.47783 13.02034 0.6520443      16.92164 
1 1 1 10 5  -32 o 23.70558 9.870263 8.954314       15.86143 -2.954000      19.68458 31.00000       26.78322 21.78002 9.940198 33.30359 13.20226 -11.52357      16.52595 
1 1 1 10 5  -31 o 25.01573 9.934404 12.60355       15.19081 22.48000       19.05076 -4.640000      25.17243 29.94094 11.33119 23.76527 10.98953 6.175673       15.78498 
1 1 1 10 5  -30 o 36.03333 9.057980 31.84740       13.34811 25.78022       15.72931 47.46000       25.23212 31.88888 10.44671 40.57097 13.22754 -8.682093      16.85532 
1 1 1 10 5  -29 o 63.28593 5.283785 86.34396       13.56748 87.38529       16.00942 83.69000       25.55822 63.02415 6.287415 57.60852 11.23846 5.415630       12.87768 
1 1 1 10 5  -28 o 42.59673 7.653608 41.18190       12.85890 48.50380       15.28997 23.49000       23.76739 45.84850 8.455813 32.48438 12.56525 13.36412       15.14550 
1 1 1 10 5  -27 o 56.90957 5.880687 69.83655       13.50653 62.59750       15.98672 87.89000       25.24638 52.98397 7.584796 60.87032 10.50880 -7.886345      12.96009 
1 1 1 10 5  -26 o 20.43786 8.533138 3.376575       11.90285 6.835546       14.04904 -5.422000      22.40678 23.21521 9.436402 23.90755 10.78923 -0.6923351     14.33364 
1 1 1 10 5  -25 o 54.74757 6.344362 64.49851       13.95956 73.53000       17.11507 46.55000       24.12755 58.03180 7.368481 43.62407 12.72476 14.40773       14.70422 
1 1 1 10 5  -24 o 36.63202 8.675506 30.28174       12.81111 31.31000       15.52817 28.09000       22.67059 36.91892 10.01846 35.66534 12.53074 1.253578       16.04335 
1 1 1 10 5  -23 o 87.77313 4.580894 160.5602       16.40705 164.7000       20.61143 153.4000       27.10682 88.46938 5.720381 84.31828 7.944780 4.151108       9.789907 
1 1 1 10 5  -22 o 77.75356 7.361239 128.9977       23.15758 110.7000       46.02561 135.2000       26.79649 66.63863 16.85780 79.14645 8.396349 -12.50781      18.83306 
1 1 1 10 5  -21 o 19.88800 8.458826 0.8133252      12.04881 5.147975       13.95947 -11.85000      23.85975 23.03248 9.389769 24.09947 10.97756 -1.066992      14.44557 
1 1 1 10 5  -20 o 81.10732 5.430148 137.1086       17.93027 137.1086       17.93027 0.000000       0.000000 81.10732 5.430148 ?        ?        ?              ?        
1 1 1 10 5  -19 o 122.6253 4.559457 310.8571       22.85392 310.8571       22.85392 0.000000       0.000000 122.6253 4.559457 ?        ?        ?              ?        
1 1 1 10 5  -18 f 21.80694 9.082861 2.626887       13.43839 4.774137       15.21512 -4.990000      28.65648 23.87057 9.775664 28.63273 12.60323 -4.762159      15.95008 
1 1 1 10 5  -17 o 82.14416 4.761993 139.5582       15.94865 143.5326       19.09830 130.4000       28.99097 83.14198 5.643277 78.30546 9.218015 4.836517       10.80826 
1 1 1 10 5  -16 o 39.64315 9.080956 34.14589       14.42352 29.68304       16.96185 45.80000       27.40983 37.06168 10.62711 45.76515 13.61963 -8.703472      17.27512 
1 1 1 10 5  -15 o 128.6784 3.893591 340.5096       20.49182 328.9903       24.89728 364.7000       36.07955 126.3314 4.821856 132.6193 6.665371 -6.287949      8.226631 
1 1 1 10 5  -14 o 29.79954 10.18626 17.15618       14.93517 7.632828       17.73830 40.35000       27.68236 26.71075 10.69271 43.71009 13.81698 -16.99934      17.47120 
1 1 1 10 5  -13 o 266.6088 4.890464 1461.476       53.38865 1377.000       78.84705 1533.000       72.55119 257.9541 7.472684 272.6116 6.499438 -14.65753      9.903721 
1 1 1 10 5  -12 o 185.4606 4.881362 707.3508       37.03730 623.3000       57.59984 766.6000       48.36058 173.3886 8.135590 192.8320 6.132542 -19.44339      10.18803 
1 1 1 10 5  -11 o 60.48724 10.11634 77.96894       24.17185 86.04000       44.44984 74.58000       28.80295 62.48905 16.94730 58.65719 12.38144 3.831860       20.98835 
1 1 1 10 5  -10 o 81.58937 7.634112 138.4943       25.20833 114.3000       44.94256 149.6000       30.44916 72.26753 15.64217 84.58843 8.925439 -12.32090      18.00947 
1 1 1 10 5  -9  o 60.16597 6.433871 75.31590       15.60491 65.21959       18.65666 98.83000       28.47192 55.58787 8.463265 68.26607 10.52334 -12.67820      13.50435 
1 1 1 10 5  -8  o 187.7694 3.505364 722.8347       26.95147 718.0576       33.17979 732.1000       46.20834 187.0805 4.331325 188.6274 5.990211 -1.546906      7.392091 
1 1 1 10 5  -7  f 98.93453 4.761194 201.3390       19.23143 211.6000       24.94375 186.3000       30.19796 101.2889 6.041620 94.76414 7.852767 6.524788       9.907932 
1 1 1 10 5  -6  o 126.9444 3.787481 330.7030       19.66538 325.3215       24.14784 341.3000       33.88597 125.8269 4.695076 128.6819 6.451572 -2.854973      7.979130 
1 1 1 10 5  -5  o 240.6861 3.596714 1187.526       35.44715 1197.430       43.91205 1169.000       60.05591 241.6083 4.438615 238.4335 6.156409 3.174744       7.589643 
1 1 1 10 5  -4  o 57.48333 9.416419 69.94787       21.39747 55.40000       36.63558 77.48000       26.36103 51.38525 15.84288 60.24831 11.09412 -8.863064      19.34105 
1 1 1 10 5  -3  o 505.2427 5.467513 5240.694       113.1135 5186.638       137.4725 5354.000       199.0314 502.2894 6.684016 509.2457 9.544868 -6.956238      11.65249 
1 1 1 10 5  -2  o 70.74232 5.455521 103.3412       15.68102 90.64254       19.21012 128.7000       27.14655 65.99326 7.227011 78.56675 8.577394 -12.57349      11.21612 
1 1 1 10 5  -1  o 213.6091 3.480833 935.2028       30.44580 918.7281       37.37468 967.7000       52.49194 211.6578 4.312399 216.9868 5.913437 -5.329041      7.318848 
1 1 1 10 5  0   o 450.6370 4.989611 4166.898       92.06995 4154.899       112.6810 4191.000       159.7003 449.7363 6.118826 450.9365 8.649003 -1.200195      10.59459 
1 1 1 10 5  1   o 93.24612 4.465787 178.7398       17.00157 177.6439       21.22856 180.7000       28.39167 92.85007 5.609764 93.41747 7.484874 -0.5673981     9.353759 
1 1 1 10 5  2   o 243.7517 3.596603 1217.864       35.89753 1197.255       44.16261 1258.000       61.62936 241.6040 4.464021 247.4664 6.082009 -5.862366      7.544423 
1 1 1 10 5  3   o 42.14894 11.08361 38.11184       19.37977 38.11184       19.37977 0.000000       0.000000 42.14894 11.08361 ?        ?        ?              ?        
1 1 1 10 5  4   o 266.6042 3.686642 1457.077       40.24597 1451.781       49.84086 1467.000       68.22715 266.0277 4.575455 267.1937 6.236007 -1.165985      7.734505 
1 1 1 10 5  5   o 306.6706 3.906685 1928.340       49.05745 1920.644       60.58154 1943.000       83.61023 305.9372 4.835970 307.4031 6.642426 -1.465942      8.216352 
1 1 1 10 5  6   o 378.1409 5.333929 2935.995       82.58960 2933.000       116.7083 2939.000       116.8906 377.4019 7.552192 377.7866 7.556292 -0.3846130     10.68331 
1 1 1 10 5  7   f 408.3620 5.634765 3425.652       94.22052 3398.000       132.4270 3454.000       134.0843 406.0318 7.965116 409.3521 7.999385 -3.320282      11.28863 
1 1 1 10 5  8   o 163.3434 4.034931 547.2495       26.98746 545.2000       38.64722 549.2000       37.70238 162.7769 5.807614 163.3963 5.643578 -0.6194763     8.098046 
1 1 1 10 5  9   o 156.7799 3.568820 504.0053       22.91075 480.7786       29.29266 540.6000       36.76830 152.9700 4.682091 162.1038 5.547487 -9.133865      7.259242 
1 1 1 10 5  10  o 186.5089 3.425054 713.2756       26.15721 726.7184       33.32410 691.7000       42.21766 188.1728 4.324910 183.3430 5.630156 4.829865       7.099542 
1 1 1 10 5  11  o 30.86737 11.65909 14.61067       20.14655 14.61067       20.14655 0.000000       0.000000 30.86737 11.65909 ?        ?        ?              ?        
1 1 1 10 5  12  o 130.2195 4.966797 349.0336       26.43504 349.0336       26.43504 0.000000       0.000000 130.2195 4.966797 ?        ?        ?              ?        
1 1 1 10 5  13  o 75.75994 7.351419 119.7203       22.51894 119.7203       22.51894 0.000000       0.000000 75.75994 7.351419 ?        ?        ?              ?        
1 1 1 10 5  14  o 125.2690 3.836107 322.5459       19.65381 305.8273       25.86205 345.4000       30.23737 121.7740 5.198577 129.3292 5.724007 -7.555229      7.732364 
1 1 1 10 5  15  o 62.14285 6.029567 80.46085       15.15009 83.19083       22.05080 78.02000       20.85049 62.59298 8.850080 60.63102 8.642800 1.961956       12.37020 
1 1 1 10 5  16  o 175.4287 3.432463 632.0535       24.65648 631.9464       32.43819 632.2000       37.94479 175.1544 4.526632 174.9926 5.301629 0.1618500      6.971203 
1 1 1 10 5  17  o 92.93135 4.260932 178.1580       16.17089 188.2769       22.96129 168.2000       22.77801 95.21233 5.918772 89.90302 6.225984 5.309311       8.590386 
1 1 1 10 5  18  f 137.7529 3.517370 390.4365       19.82384 403.3486       27.02677 375.4000       29.16553 139.7359 4.730296 134.6485 5.300211 5.087387       7.104079 
1 1 1 10 5  19  o 72.52174 4.936161 109.2227       14.57087 95.96542       20.88301 121.8000       20.34036 67.25183 7.723425 76.19924 6.583551 -8.947411      10.14862 
1 1 1 10 5  20  o 126.1004 3.569483 327.7388       18.41234 287.2419       24.51964 380.1000       27.88098 117.6327 5.102650 135.3694 5.038738 -17.73666      7.171187 
1 1 1 10 5  21  o 23.76509 10.39661 -2.209816      19.23180 -2.209816      19.23180 0.000000       0.000000 23.76509 10.39661 ?        ?        ?              ?        
1 1 1 10 5  22  o 29.86305 11.32005 15.58001       19.03154 15.58001       19.03154 0.000000       0.000000 29.86305 11.32005 ?        ?        ?              ?        
1 1 1 10 5  23  o 75.77164 6.706464 122.2466       20.59309 122.2466       20.59309 0.000000       0.000000 75.77164 6.706464 ?        ?        ?              ?        
1 1 1 10 5  24  o 96.98501 5.669466 198.4297       22.41678 198.4297       22.41678 0.000000       0.000000 96.98501 5.669466 ?        ?        ?              ?        
1 1 1 10 5  25  o 37.57070 11.35280 33.30458       18.93666 33.30458       18.93666 0.000000       0.000000 37.57070 11.35280 ?        ?        ?              ?        
1 1 1 10 5  26  o 86.99329 8.212661 167.7000       28.90834 167.7000       28.90834 0.000000       0.000000 86.99329 8.212661 ?        ?        ?              ?        
1 1 1 10 5  27  o 48.61792 11.49890 58.20000       22.53033 58.20000       22.53033 0.000000       0.000000 48.61792 11.49890 ?        ?        ?              ?        
1 1 1 10 5  28  o 32.09274 11.94780 23.62000       20.99603 23.62000       20.99603 0.000000       0.000000 32.09274 11.94780 ?        ?        ?              ?        
1 1 1 10 5  29  o 57.79593 7.422113 75.55161       17.16008 75.55161       17.16008 0.000000       0.000000 57.79593 7.422113 ?        ?        ?              ?        
1 1 1 10 5  30  o 47.04446 9.049484 53.53930       16.79953 53.53930       16.79953 0.000000       0.000000 47.04446 9.049484 ?        ?        ?              ?        
1 1 1 10 5  31  o 23.07042 9.779333 6.939908       16.01189 6.939908       16.01189 0.000000       0.000000 23.07042 9.779333 ?        ?        ?              ?        
1 1 1 10 5  32  o 35.08152 10.61530 32.64065       16.54819 32.64065       16.54819 0.000000       0.000000 35.08152 10.61530 ?        ?        ?              ?        
1 1 1 10 5  33  f 24.20910 10.00335 10.34293       16.11907 10.34293       16.11907 0.000000       0.000000 24.20910 10.00335 ?        ?        ?              ?        
1 1 1 10 5  34  o 18.64502 8.741269 -8.626342      16.81673 -8.626342      16.81673 0.000000       0.000000 18.64502 8.741269 ?        ?        ?              ?        
1 1 1 10 5  35  o 25.54609 10.42914 15.27194       17.25032 15.27194       17.25032 0.000000       0.000000 25.54609 10.42914 ?        ?        ?              ?        
1 1 1 10 6  -34 o 19.72712 8.883463 0.4038635      15.09633 -1.128108      17.91090 4.162000       28.05294 20.59947 9.431791 24.93288 11.55453 -4.333412      14.91529 
1 1 1 10 6  -33 o 41.40592 10.68382 47.28048       18.23454 43.05000       23.02932 54.39000       29.85426 37.06567 12.64933 39.21204 14.30757 -2.146374      19.09744 
1 1 1 10 6  -32 o 25.97512 9.974402 15.42533       14.89885 18.70238       17.73803 7.575000       27.45413 27.87450 10.83495 26.68794 12.00219 1.186554       16.16938 
1 1 1 10 6  -31 o 27.32952 9.975906 17.94625       14.51587 26.21791       17.31875 -1.587000      26.61384 31.53790 10.96105 24.78892 11.40418 6.748983       15.81771 
1 1 1 10 6  -30 o 51.34274 7.331894 61.04282       14.97689 54.34784       17.88787 76.74000       27.39020 46.43967 9.719352 51.64154 12.97188 -5.201866      16.20912 
1 1 1 10 6  -29 o 19.40604 8.596373 -0.2208171     13.53543 12.38916       16.26256 -28.65000      24.41823 25.35857 10.20822 19.61774 9.542417 5.740837       13.97374 
1 1 1 10 6  -28 o 21.29395 8.841081 5.565126       12.67476 -5.298545      15.49068 27.57000       22.04660 19.29041 8.809302 32.94662 12.24742 -13.65620      15.08652 
1 1 1 10 6  -27 o 37.74939 8.625538 33.54580       13.04036 40.83947       16.22115 20.22000       21.92579 41.04817 9.788894 30.68586 12.01211 10.36231       15.49559 
1 1 1 10 6  -26 o 18.95951 8.364125 -1.361467      12.68771 4.192778       15.90530 -11.08000      21.03922 22.91787 9.732010 21.58919 10.00548 1.328680       13.95785 
1 1 1 10 6  -25 o 25.98831 9.297768 13.99052       12.53048 15.29819       15.56246 11.58000       21.12923 27.59264 10.28359 28.03017 11.50410 -0.4375248     15.43038 
1 1 1 10 6  -24 o 29.71777 9.203059 19.96838       12.34626 23.83829       15.38570 12.97000       20.69025 32.23883 10.31361 28.62410 11.51728 3.614737       15.46021 
1 1 1 10 6  -23 o 22.01983 8.811423 6.337852       12.04080 -5.068295      14.69827 29.61000       20.99495 19.50920 8.777140 35.89167 12.07918 -16.38247      14.93133 
1 1 1 10 6  -22 o 60.89920 5.714715 78.60648       14.08401 92.01943       17.78957 56.08000       23.05419 65.52016 6.726206 48.78846 11.69271 16.73169       13.48930 
1 1 1 10 6  -21 o 67.63512 7.577782 98.58428       20.62605 122.2000       41.14973 90.66000       23.83670 71.07915 14.62648 64.00195 9.373328 7.077202       17.37219 
1 1 1 10 6  -20 o 39.02235 11.60418 34.57845       19.90372 6.440000       41.66202 42.90000       22.65648 35.61620 15.44503 43.10015 12.25749 -7.483955      19.71789 
1 1 1 10 6  -19 o 106.5876 6.768023 239.3000       29.38626 0.000000       0.000000 239.3000       29.38626 ?        ?        106.5876 6.768023 ?              ?        
1 1 1 10 6  -18 o 50.66413 11.85088 58.08000       24.14505 0.000000       0.000000 58.08000       24.14505 ?        ?        50.66413 11.85088 ?              ?        
1 1 1 10 6  -17 o 131.3516 4.095791 356.0678       22.00223 348.8000       29.01610 365.9000       33.74921 129.5962 5.480291 132.4648 6.239661 -2.868591      8.304634 
1 1 1 10 6  -16 o 99.22653 4.625074 203.6262       18.74021 205.4000       24.25710 201.0000       29.51517 99.32278 5.992257 97.81459 7.424607 1.508186       9.541066 
1 1 1 10 6  -15 o 72.29432 5.479405 108.6614       16.09963 112.9109       19.81224 100.4000       27.62427 73.44051 6.660664 68.19800 10.20550 5.242508       12.18674 
1 1 1 10 6  -14 o 110.1516 5.145691 250.8791       23.14499 250.8791       23.14499 0.000000       0.000000 110.1516 5.145691 ?        ?        ?              ?        
1 1 1 10 6  -13 o 187.1771 4.427206 721.0060       33.93180 721.0060       33.93180 0.000000       0.000000 187.1771 4.427206 ?        ?        ?              ?        
1 1 1 10 6  -12 o 81.28197 5.111069 136.6287       16.92490 141.4431       20.69325 126.9000       29.41580 82.52231 6.168602 77.36900 9.483225 5.153313       11.31297 
1 1 1 10 6  -11 o 190.9052 3.579305 748.2022       27.97957 774.0746       35.33342 704.7000       45.81660 194.0338 4.447173 184.7032 6.066157 9.330597       7.521676 
1 1 1 10 6  -10 o 151.0928 3.687680 468.6239       22.81505 457.3660       28.21266 489.9000       38.78479 149.0836 4.627173 154.0020 6.162952 -4.918304      7.706666 
1 1 1 10 6  -9  o 54.84057 7.298731 63.20959       15.98324 73.15273       19.94419 45.36000       26.72200 58.81455 8.530108 45.87157 13.39459 12.94297       15.88011 
1 1 1 10 6  -8  o 256.0082 3.709900 1344.859       38.89023 1337.333       48.13984 1359.000       65.98556 255.1357 4.607963 256.8155 6.274848 -1.679825      7.785053 
1 1 1 10 6  -7  o 79.81843 5.777290 131.7740       18.75438 155.9000       25.10348 101.3000       28.21348 86.64008 7.139342 69.07069 10.28913 17.56939       12.52344 
1 1 1 10 6  -6  o 242.2782 3.633906 1204.053       36.05060 1203.000       44.75299 1206.000       60.84151 242.0477 4.515405 241.9719 6.145571 0.7579041E-01  7.626069 
1 1 1 10 6  -5  o 111.1621 4.151160 253.9370       18.86196 260.8859       23.76199 242.1000       31.01298 112.5609 5.169302 108.1539 7.041161 4.406982       8.734966 
1 1 1 10 6  -4  o 84.34043 5.060724 146.6431       17.39685 135.7276       21.85963 165.5000       28.73129 80.91840 6.656170 89.19609 7.949784 -8.277687      10.36840 
1 1 1 10 6  -3  o 41.28740 9.462981 36.68145       15.65517 40.84134       19.94752 30.01000       25.26142 43.50505 11.14796 39.15484 13.24976 4.350208       17.31569 
1 1 1 10 6  -2  o 123.6576 3.909554 313.9695       19.77089 332.0263       25.17324 284.9000       31.94019 127.0709 4.846916 117.4552 6.668512 9.615761       8.243886 
1 1 1 10 6  -1  o 309.2547 3.941146 1961.770       49.90720 1935.058       61.16077 2015.000       86.33691 306.9901 4.865464 312.8540 6.739542 -5.863922      8.312290 
1 1 1 10 6  0   o 266.0718 3.689017 1451.804       40.19146 1461.104       50.09383 1435.000       67.33487 266.8029 4.585316 264.1257 6.225940 2.677216       7.732234 
1 1 1 10 6  1   o 381.7905 4.451720 2991.523       69.59490 2972.053       85.40627 3030.000       120.0646 380.3091 5.484394 383.3375 7.649081 -3.028473      9.412067 
1 1 1 10 6  2   o 145.8804 3.683751 436.7090       21.98690 435.4427       28.12259 438.7000       35.26367 145.5603 4.724586 145.9481 5.912957 -0.3878326     7.568671 
1 1 1 10 6  3   o 362.3294 4.307809 2694.104       63.91231 2693.642       78.70905 2695.000       109.5050 362.0797 5.308797 361.5703 7.396337 0.5093689      9.104346 
1 1 1 10 6  4   o 223.8261 3.550121 1027.382       32.53706 1007.515       40.41056 1064.000       54.86352 221.5467 4.454563 227.3755 5.897697 -5.828751      7.390938 
1 1 1 10 6  5   o 260.8501 3.677154 1395.646       39.27600 1381.000       48.66789 1423.000       66.51051 259.3459 4.582883 262.9539 6.177123 -3.608002      7.691532 
1 1 1 10 6  6   o 56.14561 7.055588 65.99865       15.86353 74.73946       21.36998 55.27000       23.67560 59.41544 9.070814 50.48481 11.68433 8.930630       14.79200 
1 1 1 10 6  7   o 296.1126 4.659574 1801.114       56.49728 1774.000       80.06776 1828.000       79.73174 293.3704 6.665259 297.8399 6.537685 -4.469513      9.336328 
1 1 1 10 6  8   o 32.07249 10.27425 20.97331       15.26463 3.319939       20.92589 41.05000       22.31598 27.06685 11.30853 43.59633 12.08290 -16.52948      16.54930 
1 1 1 10 6  9   o 214.7821 3.520619 946.5309       30.96289 933.2802       39.20392 968.5000       50.47944 213.1281 4.492254 216.8076 5.691034 -3.679520      7.250394 
1 1 1 10 6  10  o 101.3620 4.316677 211.4881       17.87530 224.0249       24.57368 197.4000       26.04983 104.1099 5.787168 97.57190 6.558213 6.538025       8.746512 
1 1 1 10 6  11  o 156.1526 3.549183 500.5662       22.69352 476.6156       29.55004 535.0000       35.43169 152.1365 4.749331 161.0654 5.379911 -8.928848      7.176322 
1 1 1 10 6  12  o 38.35026 9.281752 31.92615       14.41687 27.79718       20.70771 35.81000       20.08367 36.74828 11.98321 40.63588 11.53519 -3.887600      16.63304 
1 1 1 10 6  13  o 141.4789 4.165092 412.0316       24.10281 436.7000       38.05037 395.5000       31.14911 145.1240 6.419056 138.3278 5.510381 6.796188       8.459822 
1 1 1 10 6  14  o 198.4916 4.102489 810.6292       33.34372 799.6000       50.42331 819.2000       44.44983 196.3923 6.278281 199.0886 5.457695 -2.696274      8.318849 
1 1 1 10 6  15  o 51.47411 9.423713 57.43000       19.13083 0.000000       0.000000 57.43000       19.13083 ?        ?        51.47411 9.423713 ?              ?        
1 1 1 10 6  16  o 66.56075 6.053062 92.67336       16.31722 101.6000       29.66248 88.80000       19.53921 68.17193 11.00056 64.77382 7.505628 3.398109       13.31716 
1 1 1 10 6  17  o 120.7196 3.688622 300.3496       18.21195 293.3813       24.60050 308.8000       27.09034 118.9630 5.061759 121.9386 5.439304 -2.975616      7.430170 
1 1 1 10 6  18  o 31.46268 11.51027 18.34627       19.34065 18.34627       19.34065 0.000000       0.000000 31.46268 11.51027 ?        ?        ?              ?        
1 1 1 10 6  19  o 91.82114 8.307842 180.4000       30.89837 180.4000       30.89837 0.000000       0.000000 91.82114 8.307842 ?        ?        ?              ?        
1 1 1 10 6  20  o 57.15681 12.05959 75.17000       27.33561 75.17000       27.33561 0.000000       0.000000 57.15681 12.05959 ?        ?        ?              ?        
1 1 1 10 6  21  o 129.3421 6.654830 354.3000       35.12682 354.3000       35.12682 0.000000       0.000000 129.3421 6.654830 ?        ?        ?              ?        
1 1 1 10 6  22  o 78.10610 6.666504 130.3228       21.11738 130.3228       21.11738 0.000000       0.000000 78.10610 6.666504 ?        ?        ?              ?        
1 1 1 10 6  23  o 52.40629 9.615200 62.54208       19.87305 62.54208       19.87305 0.000000       0.000000 52.40629 9.615200 ?        ?        ?              ?        
1 1 1 10 6  24  o 46.98328 10.41057 51.95667       19.50099 51.95667       19.50099 0.000000       0.000000 46.98328 10.41057 ?        ?        ?              ?        
1 1 1 10 6  25  o 78.68449 6.449252 133.8941       20.59674 133.8941       20.59674 0.000000       0.000000 78.68449 6.449252 ?        ?        ?              ?        
1 1 1 10 6  26  o 52.56112 8.990908 63.92023       18.65549 63.92023       18.65549 0.000000       0.000000 52.56112 8.990908 ?        ?        ?              ?        
1 1 1 10 6  27  o 66.23279 6.983648 97.35587       18.65522 97.35587       18.65522 0.000000       0.000000 66.23279 6.983648 ?        ?        ?              ?        
1 1 1 10 6  28  o 28.97985 10.72384 19.51491       16.86728 19.51491       16.86728 0.000000       0.000000 28.97985 10.72384 ?        ?        ?              ?        
1 1 1 10 6  29  o 65.11809 6.753115 95.65718       17.74543 95.65718       17.74543 0.000000       0.000000 65.11809 6.753115 ?        ?        ?              ?        
1 1 1 10 6  30  o 21.24562 9.436996 0.9050019      16.42302 0.9050019      16.42302 0.000000       0.000000 21.24562 9.436996 ?        ?        ?              ?        
1 1 1 10 6  31  o 28.66840 10.97184 19.96866       17.98692 19.96866       17.98692 0.000000       0.000000 28.66840 10.97184 ?        ?        ?              ?        
1 1 1 10 6  32  o 44.06367 10.74837 51.91064       19.21746 51.91064       19.21746 0.000000       0.000000 44.06367 10.74837 ?        ?        ?              ?        
1 1 1 10 6  33  o 21.56544 9.724792 0.9868361      18.16329 0.9868361      18.16329 0.000000       0.000000 21.56544 9.724792 ?        ?        ?              ?        
1 1 1 10 6  34  o 26.64716 10.70454 18.12936       17.84243 18.12936       17.84243 0.000000       0.000000 26.64716 10.70454 ?        ?        ?              ?        
1 1 1 10 7  -33 o 23.80991 9.942844 11.68710       16.16489 14.19030       18.60187 3.967000       32.66789 25.21540 10.60677 25.72425 12.09895 -0.5088444     16.09000 
1 1 1 10 7  -32 o 13.86827 6.890110 -29.60357      15.13011 -39.56016      18.02193 -5.829000      27.84854 14.44439 7.229498 23.39664 11.05502 -8.952250      13.20905 
1 1 1 10 7  -31 o 42.92664 9.288104 46.86911       15.85093 46.49361       19.06428 47.71000       28.52913 40.91290 11.10006 37.85173 13.95743 3.061165       17.83315 
1 1 1 10 7  -30 o 42.64584 9.310413 45.57493       15.80105 36.19229       19.09721 65.94000       28.13522 36.11564 11.48348 46.20068 13.81060 -10.08504      17.96115 
1 1 1 10 7  -29 o 41.86180 9.271816 43.69413       15.47382 25.37090       18.57869 85.19000       27.95867 31.11902 11.29687 54.94731 12.68340 -23.82829      16.98493 
1 1 1 10 7  -28 o 57.30354 9.079389 80.00947       20.59473 58.19000       31.39026 96.50000       27.28916 42.26373 14.75252 60.31537 11.46841 -18.05164      18.68586 
1 1 1 10 7  -27 o 31.82756 11.49767 26.00450       19.21454 -10.98000      29.88742 52.06000       25.08582 24.64684 11.58608 42.52492 13.10959 -17.87808      17.49567 
1 1 1 10 7  -26 o 68.68907 7.320447 106.3887       20.27280 58.67000       32.82983 135.8000       25.77394 43.95776 15.10001 76.66145 8.345227 -32.70369      17.25262 
1 1 1 10 7  -25 o 55.72187 6.662351 68.55145       14.90029 67.09605       19.14062 70.79000       23.73836 53.56808 9.048143 53.33590 11.22527 0.2321854      14.41789 
1 1 1 10 7  -24 o 107.1101 4.594864 241.8779       20.10557 272.2000       28.26017 210.8000       28.61019 112.3568 6.166223 97.95773 7.182694 14.39906       9.466434 
1 1 1 10 7  -23 o 44.66205 8.063791 45.05910       14.20441 29.66490       17.92912 71.01000       23.27859 35.20719 11.11842 54.54364 10.80510 -19.33646      15.50386 
1 1 1 10 7  -22 o 53.23010 6.553887 61.45242       13.98376 73.74142       18.12293 43.37000       21.98357 57.70378 7.875379 42.08297 12.10826 15.62082       14.44408 
1 1 1 10 7  -21 o 67.90308 5.466821 97.65812       15.07181 92.17361       19.49815 105.8000       23.75676 65.04000 7.455940 69.08659 8.582344 -4.046585      11.36871 
1 1 1 10 7  -20 o 29.15560 9.514458 18.47381       13.05310 25.93170       16.76037 6.977000       20.80962 33.87403 10.75647 27.00722 11.27986 6.866812       15.58643 
1 1 1 10 7  -19 o 77.13873 4.829742 124.4319       15.17875 130.9261       19.44399 114.3000       24.28671 78.65909 6.084136 72.43680 8.340182 6.222290       10.32353 
1 1 1 10 7  -18 o 93.24413 4.257474 180.5021       16.21252 184.4948       20.53793 173.9000       26.40962 93.89410 5.364197 90.37041 7.196327 3.523697       8.975618 
1 1 1 10 7  -17 o 81.80484 4.650410 139.1833       15.51322 135.4020       19.50137 145.7000       25.60101 80.27585 5.975608 82.62995 7.653465 -2.354103      9.709965 
1 1 1 10 7  -16 o 23.22346 9.891844 1.371938       16.51878 1.371938       16.51878 0.000000       0.000000 23.22346 9.891844 ?        ?        ?              ?        
1 1 1 10 7  -15 o 121.9414 3.805953 306.7900       18.98046 310.1312       24.07294 301.3000       30.85798 122.3235 4.815532 120.0469 6.299625 2.276619       7.929352 
1 1 1 10 7  -14 o 122.4731 3.770760 309.2184       18.88759 284.5938       23.53268 353.8000       31.66389 117.2076 4.914233 130.3619 5.947505 -13.15427      7.715083 
1 1 1 10 7  -13 o 84.73514 5.107850 148.9918       17.64026 143.2000       24.08000 155.7000       25.91514 82.52283 7.198165 86.00098 7.431976 -3.478149      10.34639 
1 1 1 10 7  -12 o 137.1849 4.119929 387.9119       23.11683 387.2000       31.89196 388.7000       33.55573 136.6371 5.712779 136.8104 6.004575 -0.1732941     8.287990 
1 1 1 10 7  -11 o 99.85466 4.699728 206.0140       19.16219 206.8000       26.13308 205.1000       28.18158 99.65094 6.438960 99.09010 6.990479 0.5608444      9.504052 
1 1 1 10 7  -10 o 168.6964 3.554134 584.7812       24.55070 607.7144       31.21701 547.6000       39.74852 171.7399 4.442840 162.5967 5.980333 9.143158       7.450047 
1 1 1 10 7  -9  f 50.36967 7.616580 53.87511       15.21913 54.64651       19.33858 52.62000       24.66735 50.22495 9.755002 48.78863 12.34086 1.436321       15.73076 
1 1 1 10 7  -8  o 133.3738 4.773850 366.7305       26.02931 366.7305       26.02931 0.000000       0.000000 133.3738 4.773850 ?        ?        ?              ?        
1 1 1 10 7  -7  o 155.5640 4.613708 498.3651       29.35644 498.3651       29.35644 0.000000       0.000000 155.5640 4.613708 ?        ?        ?              ?        
1 1 1 10 7  -6  o 153.3389 4.623412 484.0937       28.99633 484.0937       28.99633 0.000000       0.000000 153.3389 4.623412 ?        ?        ?              ?        
1 1 1 10 7  -5  o 62.47364 6.571900 81.49876       16.56024 85.94323       21.52320 75.05000       25.92595 63.78267 8.448571 58.87041 11.16346 4.912254       14.00004 
1 1 1 10 7  -4  o 70.50813 5.953822 103.2232       17.02885 99.81907       22.38420 107.9000       26.23695 68.91884 8.085512 71.43623 9.181606 -2.517387      12.23427 
1 1 1 10 7  -3  o 164.7739 4.569138 558.5595       30.79836 626.2000       50.73954 519.1000       38.75422 173.8806 7.141612 158.5676 5.979417 15.31303       9.314293 
1 1 1 10 7  -2  o 95.91141 4.640573 189.5462       18.17086 203.8797       23.89715 169.9000       27.97750 99.28936 5.904522 90.28360 7.639548 9.005760       9.655365 
1 1 1 10 7  -1  o 92.09769 4.806344 174.8774       18.06269 162.6635       23.50289 192.5000       28.23121 88.54715 6.528095 96.23444 7.216881 -7.687294      9.731361 
1 1 1 10 7  0   o 35.37456 10.26046 26.67708       15.72695 26.92523       21.14728 26.37000       23.52473 36.56784 12.11926 36.95590 12.77853 -0.3880615     17.61157 
1 1 1 10 7  1   o 136.0118 3.823298 380.0819       21.27199 374.5741       27.55895 388.2000       33.45822 134.8535 4.999523 137.1132 5.973689 -2.259689      7.789749 
1 1 1 10 7  2   o 135.9241 3.877256 379.6470       21.55765 351.4764       27.83120 421.9000       34.08492 130.5834 5.215477 142.9716 5.834470 -12.38821      7.825742 
1 1 1 10 7  3   o 113.9514 4.140532 267.0875       19.28757 259.6849       25.49173 277.0000       29.49829 112.1476 5.568592 115.7112 6.249012 -3.563583      8.370148 
1 1 1 10 7  4   o 21.68749 9.341000 -1.091130      15.03452 -23.30404      20.82487 23.09000       21.72791 20.24433 9.563813 34.95809 12.26861 -14.71377      15.55588 
1 1 1 10 7  5   o 162.3639 3.552333 541.1636       23.61715 552.4579       30.78170 525.0000       36.82397 163.8399 4.592797 159.4996 5.647190 4.340240       7.279047 
1 1 1 10 7  6   o 170.4569 3.519848 596.4973       24.56761 612.0923       31.96807 574.0000       38.39625 172.4579 4.530908 166.7649 5.630969 5.693039       7.227513 
1 1 1 10 7  7   o 182.8110 3.478221 686.1637       26.03657 701.5801       33.81029 663.7000       40.81291 184.6831 4.470925 179.3145 5.565239 5.368591       7.138701 
1 1 1 10 7  8   o 177.2623 3.502805 645.2924       25.42474 661.0331       33.39874 623.6000       39.20787 179.1649 4.556226 173.7790 5.516988 5.385864       7.155162 
1 1 1 10 7  9   f 178.6385 3.453540 655.4346       25.26177 642.0187       32.47243 676.0000       40.20450 176.5495 4.495493 180.9155 5.433341 -4.365982      7.051997 
1 1 1 10 7  10  o 105.1986 4.087385 228.0113       17.57327 236.2249       24.17002 218.8000       25.59595 106.8001 5.545892 102.6461 6.117570 4.153954       8.257215 
1 1 1 10 7  11  o 41.04272 9.796465 36.90150       16.23466 19.36000       30.24686 44.00000       19.24112 36.16771 14.12294 44.70314 10.66173 -8.535431      17.69548 
1 1 1 10 7  12  o 184.7110 4.094743 702.5726       30.97019 701.3000       47.70169 703.5000       40.71930 183.6957 6.351324 184.3641 5.399678 -0.6683807     8.336416 
1 1 1 10 7  13  o 24.13235 9.690356 6.379057       14.61539 13.43000       28.07178 3.757000       17.11857 33.26145 13.40404 24.62050 10.25280 8.640951       16.87567 
1 1 1 10 7  14  o 77.51894 7.019776 126.5305       22.04078 126.5305       22.04078 0.000000       0.000000 77.51894 7.019776 ?        ?        ?              ?        
1 1 1 10 7  15  o 69.16339 7.775147 101.8481       21.63865 101.8481       21.63865 0.000000       0.000000 69.16339 7.775147 ?        ?        ?              ?        
1 1 1 10 7  16  o 62.66193 8.342709 84.59821       20.87461 84.59821       20.87461 0.000000       0.000000 62.66193 8.342709 ?        ?        ?              ?        
1 1 1 10 7  17  o 22.95626 10.22566 -5.260905      19.42168 -5.260905      19.42168 0.000000       0.000000 22.95626 10.22566 ?        ?        ?              ?        
1 1 1 10 7  18  o 119.7708 5.086388 299.2297       24.88829 299.2297       24.88829 0.000000       0.000000 119.7708 5.086388 ?        ?        ?              ?        
1 1 1 10 7  19  o 28.19482 11.10794 12.24642       18.85284 12.24642       18.85284 0.000000       0.000000 28.19482 11.10794 ?        ?        ?              ?        
1 1 1 10 7  20  o 24.80095 11.52855 -17.63000      28.25456 -17.63000      28.25456 0.000000       0.000000 24.80095 11.52855 ?        ?        ?              ?        
1 1 1 10 7  21  o 79.49179 10.54611 144.7000       33.48116 144.7000       33.48116 0.000000       0.000000 79.49179 10.54611 ?        ?        ?              ?        
1 1 1 10 7  22  o 73.03167 11.01289 125.0000       31.91040 125.0000       31.91040 0.000000       0.000000 73.03167 11.01289 ?        ?        ?              ?        
1 1 1 10 7  23  o 37.81024 14.06074 34.55000       29.06340 34.55000       29.06340 0.000000       0.000000 37.81024 14.06074 ?        ?        ?              ?        
1 1 1 10 7  24  o 25.49370 10.54816 8.509704       17.95511 8.509704       17.95511 0.000000       0.000000 25.49370 10.54816 ?        ?        ?              ?        
1 1 1 10 7  25  o 57.09625 8.532409 75.08053       19.33722 75.08053       19.33722 0.000000       0.000000 57.09625 8.532409 ?        ?        ?              ?        
1 1 1 10 7  26  o 42.42844 10.68981 45.58379       18.56055 45.58379       18.56055 0.000000       0.000000 42.42844 10.68981 ?        ?        ?              ?        
1 1 1 10 7  27  o 24.06204 10.11142 8.158772       16.87824 8.158772       16.87824 0.000000       0.000000 24.06204 10.11142 ?        ?        ?              ?        
1 1 1 10 7  28  o 27.52892 10.64954 17.40670       17.07398 17.40670       17.07398 0.000000       0.000000 27.52892 10.64954 ?        ?        ?              ?        
1 1 1 10 7  29  o 35.15249 11.07406 33.37100       17.79647 33.37100       17.79647 0.000000       0.000000 35.15249 11.07406 ?        ?        ?              ?        
1 1 1 10 7  30  o 30.24673 11.12320 23.73923       18.09881 23.73923       18.09881 0.000000       0.000000 30.24673 11.12320 ?        ?        ?              ?        
1 1 1 10 7  31  o 20.62403 9.455882 -3.261769      18.08474 -3.261769      18.08474 0.000000       0.000000 20.62403 9.455882 ?        ?        ?              ?        
1 1 1 10 7  32  o 15.65225 7.738511 -30.24304      18.22976 -30.24304      18.22976 0.000000       0.000000 15.65225 7.738511 ?        ?        ?              ?        
1 1 1 10 7  33  o 18.77531 8.935843 -11.32716      18.84519 -11.32716      18.84519 0.000000       0.000000 18.77531 8.935843 ?        ?        ?              ?        
1 1 1 10 8  -31 o 31.79213 10.63264 29.02818       16.26981 24.19702       19.50973 40.06000       29.48147 29.10531 11.34906 33.55217 13.65792 -4.446859      17.75781 
1 1 1 10 8  -30 o 40.23309 10.08371 43.48227       16.57777 42.23177       19.53528 46.70000       31.33654 38.01060 11.54037 36.19902 14.30243 1.811584       18.37770 
1 1 1 10 8  -29 o 33.27963 11.52795 31.03155       19.14907 31.03155       19.14907 0.000000       0.000000 33.27963 11.52795 ?        ?        ?              ?        
1 1 1 10 8  -28 o 31.61012 11.38411 26.61977       18.81938 26.61977       18.81938 0.000000       0.000000 31.61012 11.38411 ?        ?        ?              ?        
1 1 1 10 8  -27 o 31.29173 10.33817 25.35627       15.39183 41.54992       18.70151 -8.643000      27.09811 39.18676 11.13366 23.67978 11.09993 15.50698       15.72154 
1 1 1 10 8  -26 o 33.64566 10.13025 29.26634       15.09729 34.77805       18.81099 19.29000       25.30779 35.75377 11.40036 29.66628 12.41840 6.087484       16.85778 
1 1 1 10 8  -25 o 49.56207 7.831959 57.17248       15.36696 57.24007       19.44334 57.06000       25.08233 47.60526 10.27605 44.84063 12.94328 2.764626       16.52652 
1 1 1 10 8  -24 o 50.42198 7.497301 57.96720       15.00891 62.68887       19.80038 51.59000       23.01127 50.66415 9.899499 43.81855 12.31602 6.845596       15.80140 
1 1 1 10 8  -23 o 51.95450 7.080764 60.26361       14.67194 53.14670       18.96960 70.86000       23.14684 46.75061 10.19712 53.59546 10.91841 -6.844845      14.93964 
1 1 1 10 8  -22 o 37.11648 9.338987 32.64818       14.17965 27.26610       18.56710 40.18000       21.96439 33.66877 11.35939 39.72911 12.27026 -6.060337      16.72109 
1 1 1 10 8  -21 o 98.72055 4.327590 204.5299       17.45105 200.5401       22.18859 211.0000       28.25595 96.94877 5.613376 98.31047 7.066308 -1.361702      9.024560 
1 1 1 10 8  -20 o 62.92261 5.914857 84.88743       15.06094 92.27060       19.80400 74.76000       23.19429 64.69950 7.621329 56.47451 10.41365 8.224995       12.90460 
1 1 1 10 8  -19 o 25.69750 9.538754 12.50096       13.36409 1.897043       17.43400 27.61000       20.81049 23.37574 10.06339 34.78794 12.01925 -11.41220      15.67591 
1 1 1 10 8  -18 o 55.74933 6.239260 66.60074       13.99886 79.46699       18.44241 49.11000       21.50285 60.32454 7.637079 45.47713 11.53244 14.84741       13.83193 
1 1 1 10 8  -17 o 42.43678 8.123199 39.97443       13.60146 30.11219       17.63634 54.45000       21.36676 36.21735 10.95871 48.38659 11.03022 -12.16925      15.54860 
1 1 1 10 8  -16 o 26.73079 10.51860 10.73003       16.88762 10.73003       16.88762 0.000000       0.000000 26.73079 10.51860 ?        ?        ?              ?        
1 1 1 10 8  -15 o 70.34885 5.192133 103.6679       14.85101 96.89955       19.37868 113.3000       23.11752 67.32639 7.137952 72.51994 7.913260 -5.193558      10.65693 
1 1 1 10 8  -14 o 37.95969 8.921533 32.07109       13.63121 28.15114       18.22361 37.05000       20.53814 35.66684 11.20206 40.33531 11.73292 -4.668472      16.22183 
1 1 1 10 8  -13 o 108.3146 3.984706 242.6084       17.64278 227.2813       22.87760 265.1000       27.71338 104.4081 5.369242 112.5191 6.037146 -8.111031      8.079350 
1 1 1 10 8  -12 o 45.42473 7.732084 44.61083       13.86705 70.22164       18.81699 14.17000       20.51477 57.05430 8.297478 30.11789 11.66732 26.93641       14.31693 
1 1 1 10 8  -11 o 78.33244 4.950848 127.5357       15.79859 102.4654       20.72659 162.3000       24.40700 69.51019 7.395473 87.84258 6.839413 -18.33239      10.07326 
1 1 1 10 8  -10 o 118.8127 3.928376 291.2332       19.08546 266.0566       24.80015 327.8000       29.88820 113.1786 5.366664 125.4948 5.832287 -12.31622      7.925696 
1 1 1 10 8  -9  o 26.60242 9.743716 12.45412       13.86582 8.601764       18.91398 16.93000       20.38726 27.41268 11.01809 31.39829 11.75648 -3.985613      16.11252 
1 1 1 10 8  -8  o 33.17376 9.755467 23.79247       14.13137 24.35542       19.08974 23.11000       21.01880 34.39719 11.51749 34.32389 12.06512 0.7330322E-01  16.67992 
1 1 1 10 8  -7  o 122.4723 3.842796 308.9959       19.24739 330.2814       25.32743 279.9000       29.61181 126.3829 4.903464 115.9614 6.259504 10.42156       7.951437 
1 1 1 10 8  -6  o 53.80577 7.753313 61.62608       16.58970 80.31000       24.82536 46.55000       22.30005 60.79012 10.34338 45.76942 11.81764 15.02069       15.70485 
1 1 1 10 8  -5  o 205.1150 4.120060 866.0865       34.60393 870.4000       49.93088 862.1000       48.00085 204.9343 5.956501 204.0378 5.751051 0.8964691      8.279764 
1 1 1 10 8  -4  o 33.21550 10.61465 23.04298       16.30030 49.88000       24.83348 2.728000       21.60621 47.36142 12.59006 27.00497 11.39933 20.35645       16.98395 
1 1 1 10 8  -3  o 29.65436 10.18606 17.14764       14.93911 26.07796       20.68811 7.417000       21.59525 35.77351 11.99014 28.55044 11.66386 7.223078       16.72750 
1 1 1 10 8  -2  o 79.68379 5.072280 131.5026       16.46408 115.7710       22.50988 149.6000       24.14327 74.22206 7.509760 84.58555 7.034291 -10.36349      10.28969 
1 1 1 10 8  -1  o 87.25243 4.814170 157.3864       17.13314 183.7288       23.16923 125.6000       25.45103 94.04180 6.048888 77.16887 8.178870 16.87293       10.17266 
1 1 1 10 8  0   o 92.82037 6.178039 179.1106       23.34744 179.1106       23.34744 0.000000       0.000000 92.82037 6.178039 ?        ?        ?              ?        
1 1 1 10 8  1   o 156.3116 4.639435 503.8154       29.66195 503.8154       29.66195 0.000000       0.000000 156.3116 4.639435 ?        ?        ?              ?        
1 1 1 10 8  2   o 69.39246 10.46467 103.8000       28.81087 103.8000       28.81087 0.000000       0.000000 69.39246 10.46467 ?        ?        ?              ?        
1 1 1 10 8  3   o 57.90358 8.008388 71.20805       18.48003 93.24000       32.28332 60.47000       22.53794 64.97736 12.58840 52.53444 10.83706 12.44292       16.61053 
1 1 1 10 8  4   o 76.12454 6.207899 120.8295       19.18271 139.8000       33.17404 111.3000       23.51215 80.74030 10.26603 72.58814 8.045402 8.152153       13.04300 
1 1 1 10 8  5   o 68.06794 6.733483 97.13898       18.52188 95.82000       31.74111 97.82000       22.80762 65.92961 12.20702 67.87888 8.383795 -1.949272      14.80876 
1 1 1 10 8  6   o 134.2401 4.423666 371.7676       24.28261 395.9000       39.24710 356.8000       30.90889 137.7644 6.980134 131.1571 5.769409 6.607376       9.055845 
1 1 1 10 8  7   o 68.57965 5.555616 97.95638       15.46751 99.13480       21.79213 96.76000       21.95754 68.40357 7.926873 67.51821 8.103911 0.8853607      11.33617 
1 1 1 10 8  8   o 150.0201 3.605386 463.0365       22.14755 422.9377       28.28344 526.6000       35.60989 143.0194 4.836576 159.3930 5.464113 -16.37355      7.297191 
1 1 1 10 8  9   o 96.13300 4.345404 191.0149       17.06093 185.3549       23.02954 197.9000       25.39983 94.29211 5.995715 97.32036 6.409545 -3.028252      8.776723 
1 1 1 10 8  10  o 117.2493 5.304591 285.4048       25.40155 285.4048       25.40155 0.000000       0.000000 117.2493 5.304591 ?        ?        ?              ?        
1 1 1 10 8  11  o 133.1366 4.812331 367.2470       26.19162 367.2470       26.19162 0.000000       0.000000 133.1366 4.812331 ?        ?        ?              ?        
1 1 1 10 8  12  o 93.41283 5.934542 182.5089       22.58223 182.5089       22.58223 0.000000       0.000000 93.41283 5.934542 ?        ?        ?              ?        
1 1 1 10 8  13  o 88.76015 6.056394 165.2575       21.87998 165.2575       21.87998 0.000000       0.000000 88.76015 6.056394 ?        ?        ?              ?        
1 1 1 10 8  14  o 81.60847 6.504196 140.6612       21.55496 140.6612       21.55496 0.000000       0.000000 81.60847 6.504196 ?        ?        ?              ?        
1 1 1 10 8  15  o 37.30476 11.49683 31.41967       19.29503 31.41967       19.29503 0.000000       0.000000 37.30476 11.49683 ?        ?        ?              ?        
1 1 1 10 8  16  o 124.8666 6.514202 330.1000       33.19156 330.1000       33.19156 0.000000       0.000000 124.8666 6.514202 ?        ?        ?              ?        
1 1 1 10 8  17  o 57.88074 8.627031 74.04996       19.82290 74.04996       19.82290 0.000000       0.000000 57.88074 8.627031 ?        ?        ?              ?        
1 1 1 10 8  18  o 117.5240 5.033678 289.7719       24.16736 289.7719       24.16736 0.000000       0.000000 117.5240 5.033678 ?        ?        ?              ?        
1 1 1 10 8  19  o 69.15594 7.276641 104.0723       20.29718 104.0723       20.29718 0.000000       0.000000 69.15594 7.276641 ?        ?        ?              ?        
1 1 1 10 8  20  o 29.71620 11.30742 17.42020       19.03332 17.42020       19.03332 0.000000       0.000000 29.71620 11.30742 ?        ?        ?              ?        
1 1 1 10 8  21  o 52.40834 9.194546 63.36931       19.01206 63.36931       19.01206 0.000000       0.000000 52.40834 9.194546 ?        ?        ?              ?        
1 1 1 10 8  22  o 45.77896 10.43320 50.70068       19.12036 50.70068       19.12036 0.000000       0.000000 45.77896 10.43320 ?        ?        ?              ?        
1 1 1 10 8  23  o 24.25284 10.41407 4.793694       18.57907 4.793694       18.57907 0.000000       0.000000 24.25284 10.41407 ?        ?        ?              ?        
1 1 1 10 8  24  o 64.37337 8.063243 95.33369       20.78902 95.33369       20.78902 0.000000       0.000000 64.37337 8.063243 ?        ?        ?              ?        
1 1 1 10 8  25  o 25.53948 10.64176 10.64614       18.45784 10.64614       18.45784 0.000000       0.000000 25.53948 10.64176 ?        ?        ?              ?        
1 1 1 10 8  26  o 65.65958 7.572497 99.83434       19.98672 99.83434       19.98672 0.000000       0.000000 65.65958 7.572497 ?        ?        ?              ?        
1 1 1 10 8  27  o 35.01081 11.56588 33.73508       19.26476 33.73508       19.26476 0.000000       0.000000 35.01081 11.56588 ?        ?        ?              ?        
1 1 1 10 8  28  o 28.66091 11.26624 19.61642       19.35583 19.61642       19.35583 0.000000       0.000000 28.66091 11.26624 ?        ?        ?              ?        
1 1 1 10 8  29  o 32.95121 13.78553 31.75000       31.15961 31.75000       31.15961 0.000000       0.000000 32.95121 13.78553 ?        ?        ?              ?        
1 1 1 10 8  30  o 24.77955 11.72881 -5.192000      31.60334 -5.192000      31.60334 0.000000       0.000000 24.77955 11.72881 ?        ?        ?              ?        
1 1 1 10 8  31  o 21.00761 9.710271 -2.450151      19.62289 -2.450151      19.62289 0.000000       0.000000 21.00761 9.710271 ?        ?        ?              ?        
1 1 1 10 9  -29 o 45.85635 9.539671 55.43322       17.32844 41.29922       20.97593 85.81000       30.75102 36.33628 12.07096 49.80967 14.31729 -13.47339      18.72680 
1 1 1 10 9  -28 f 29.40777 11.29260 23.46574       19.09717 20.90000       25.13421 26.97000       29.37359 28.92253 12.25585 30.87481 13.17200 -1.952280      17.99188 
1 1 1 10 9  -27 o 25.51011 10.72748 11.86543       19.01856 3.611000       25.35718 22.48000       28.75468 25.16910 11.40642 30.40879 13.00442 -5.239695      17.29802 
1 1 1 10 9  -26 o 20.31143 9.133016 -1.199647      15.88962 -12.36444      19.20220 23.05000       28.29947 19.45592 9.189031 30.91171 13.04713 -11.45579      15.95825 
1 1 1 10 9  -25 o 13.99704 6.932784 -29.17276      14.87578 -29.83210      18.05682 -27.78000      26.24359 15.95117 7.851097 20.43074 9.927525 -4.479572      12.65683 
1 1 1 10 9  -24 o 24.84380 9.852918 12.39737       14.92364 6.668631       18.07653 24.66000       26.44706 23.80313 10.24727 31.38371 12.87445 -7.580572      16.45473 
1 1 1 10 9  -23 o 50.41356 9.514488 62.54753       18.92084 62.54753       18.92084 0.000000       0.000000 50.41356 9.514488 ?        ?        ?              ?        
1 1 1 10 9  -22 f 19.96647 9.296138 -9.805851      18.48689 -9.805851      18.48689 0.000000       0.000000 19.96647 9.296138 ?        ?        ?              ?        
1 1 1 10 9  -21 o 27.46898 9.964230 16.72545       14.45024 26.19830       18.61174 2.349000       22.92834 32.63303 11.36159 25.29603 11.19777 7.336996       15.95229 
1 1 1 10 9  -20 o 18.16095 8.338013 -7.085325      14.12718 -18.07300      18.62064 7.817000       21.68547 18.68182 8.888823 26.61808 11.33561 -7.936264      14.40511 
1 1 1 10 9  -19 o 20.45746 8.858728 0.8869175      13.66613 -6.224804      17.76729 11.19000       21.38540 20.88177 9.496694 27.81323 11.51017 -6.931461      14.92217 
1 1 1 10 9  -18 f 34.25009 9.477861 27.53761       13.74252 17.45630       17.95931 41.78000       21.34630 29.26332 11.01793 40.99535 11.97199 -11.73203      16.27032 
1 1 1 10 9  -17 o 25.95595 9.694230 12.88612       13.84437 8.000862       18.47022 19.15000       20.91462 25.85430 10.69797 30.95955 11.83547 -5.105255      15.95384 
1 1 1 10 9  -16 f 62.01630 5.957964 82.24375       14.94370 98.10613       19.91443 61.80000       22.60810 67.05782 7.374165 51.05232 11.12964 16.00550       13.35092 
1 1 1 10 9  -15 o 62.31340 5.949399 82.78803       14.99619 72.29178       19.95736 96.40000       22.72722 56.84850 8.862421 65.92790 8.625510 -9.079399      12.36697 
1 1 1 10 9  -14 o 34.33095 9.448575 26.84780       13.69949 11.46786       18.55005 45.30000       20.31850 27.57946 10.96974 43.89098 11.25340 -16.31152      15.71541 
1 1 1 10 9  -13 o 25.76441 9.551868 12.13797       13.39330 33.76804       18.30723 -12.77000      19.64549 38.23063 11.06468 21.01193 9.713537 17.21870       14.72345 
1 1 1 10 9  -12 o 28.95694 9.662777 17.75175       13.43822 24.70084       18.83709 10.55000       19.17648 33.74868 11.44143 27.71565 11.10997 6.033030       15.94797 
1 1 1 10 9  -11 o 52.78755 6.775077 59.68499       14.30712 40.33262       19.16967 84.02000       21.49628 41.92307 11.02296 61.97808 8.710367 -20.05501      14.04906 
1 1 1 10 9  -10 o 184.8981 3.472792 705.2858       26.29272 685.0810       33.15949 739.5000       43.15024 181.7860 4.454746 188.1080 5.608372 -6.321960      7.162304 
1 1 1 10 9  -9  o 61.14615 5.857135 78.76826       14.48581 45.29170       19.80272 117.3000       21.24535 44.65108 10.92250 74.29581 7.068598 -29.64472      13.01023 
1 1 1 10 9  -8  o 116.5039 3.850509 280.4726       18.34365 276.1250       24.23916 286.3000       28.06246 115.1784 5.152557 116.9998 5.876363 -1.821404      7.815400 
1 1 1 10 9  -7  o 156.7000 3.498347 505.9788       22.44689 505.7577       29.16605 506.3000       35.15580 156.2496 4.563519 155.9147 5.515312 0.3349304      7.158517 
1 1 1 10 9  -6  o 64.46388 5.668786 87.09037       14.81118 77.02221       20.72503 97.60000       21.17453 59.63911 8.746532 67.61230 7.790537 -7.973183      11.71300 
1 1 1 10 9  -5  o 27.39080 10.34157 12.44724       15.84670 9.346000       30.94069 13.55000       18.45026 32.93093 13.75412 29.03121 11.11186 3.899721       17.68189 
1 1 1 10 9  -4  o 28.13194 10.54877 13.43817       16.42616 -8.890000      30.99296 22.16000       19.37048 28.64732 12.82808 33.22453 11.58937 -4.577202      17.28795 
1 1 1 10 9  -3  o 108.0608 4.854966 242.1181       21.42734 210.1000       35.79409 260.0000       26.74982 99.16319 8.910186 111.6680 5.870782 -12.50484      10.67040 
1 1 1 10 9  -2  o 157.0533 4.338042 509.6322       27.87078 466.3000       43.17067 540.6000       36.49538 149.0883 7.091985 161.3015 5.533741 -12.21320      8.995473 
1 1 1 10 9  -1  o 76.16173 5.074165 120.6204       15.73409 126.8194       22.05865 114.2000       22.44923 77.56892 7.020860 73.40202 7.577923 4.166901       10.33041 
1 1 1 10 9  0   o 49.10316 7.441117 51.61182       14.49313 52.25630       20.68223 50.99000       20.31546 48.45105 10.71003 47.86945 10.64018 0.5816002      15.09696 
1 1 1 10 9  1   o 58.96817 6.353293 73.24644       15.09875 84.38688       21.41286 62.23000       21.29337 62.67326 8.567964 53.15237 10.15369 9.520889       13.28561 
1 1 1 10 9  2   o 54.21778 13.40553 67.37000       29.59146 67.37000       29.59146 0.000000       0.000000 54.21778 13.40553 ?        ?        ?              ?        
1 1 1 10 9  3   o 78.48813 5.814854 128.7392       18.55546 120.2000       31.44758 133.3000       22.98256 74.08260 10.67449 79.47248 7.138455 -5.389877      12.84143 
1 1 1 10 9  4   o 195.0712 6.456933 795.1000       51.50447 795.1000       51.50447 0.000000       0.000000 195.0712 6.456933 ?        ?        ?              ?        
1 1 1 10 9  5   o 117.4124 7.671072 291.4000       36.67833 291.4000       36.67833 0.000000       0.000000 117.4124 7.671072 ?        ?        ?              ?        
1 1 1 10 9  6   o 38.87306 11.93644 33.55821       20.82213 33.55821       20.82213 0.000000       0.000000 38.87306 11.93644 ?        ?        ?              ?        
1 1 1 10 9  7   o 86.40127 6.395926 156.9345       22.46765 156.9345       22.46765 0.000000       0.000000 86.40127 6.395926 ?        ?        ?              ?        
1 1 1 10 9  8   o 57.00465 9.197042 71.13526       20.73711 71.13526       20.73711 0.000000       0.000000 57.00465 9.197042 ?        ?        ?              ?        
1 1 1 10 9  9   o 46.65931 10.89082 49.39341       20.42687 49.39341       20.42687 0.000000       0.000000 46.65931 10.89082 ?        ?        ?              ?        
1 1 1 10 9  10  o 114.8280 5.247544 275.2027       24.60813 275.2027       24.60813 0.000000       0.000000 114.8280 5.247544 ?        ?        ?              ?        
1 1 1 10 9  11  o 30.07002 11.44300 15.89449       19.49351 15.89449       19.49351 0.000000       0.000000 30.07002 11.44300 ?        ?        ?              ?        
1 1 1 10 9  12  o 44.64194 11.01822 46.02226       20.01687 46.02226       20.01687 0.000000       0.000000 44.64194 11.01822 ?        ?        ?              ?        
1 1 1 10 9  13  o 76.00760 6.920121 123.6583       21.30158 123.6583       21.30158 0.000000       0.000000 76.00760 6.920121 ?        ?        ?              ?        
1 1 1 10 9  14  o 49.26571 10.15563 55.67184       19.80566 55.67184       19.80566 0.000000       0.000000 49.26571 10.15563 ?        ?        ?              ?        
1 1 1 10 9  15  o 65.16070 7.862721 93.01360       20.55531 93.01360       20.55531 0.000000       0.000000 65.16070 7.862721 ?        ?        ?              ?        
1 1 1 10 9  16  f 77.33675 6.765233 128.9785       21.20813 128.9785       21.20813 0.000000       0.000000 77.33675 6.765233 ?        ?        ?              ?        
1 1 1 10 9  17  o 27.43957 10.95398 12.14350       18.56337 12.14350       18.56337 0.000000       0.000000 27.43957 10.95398 ?        ?        ?              ?        
1 1 1 10 9  18  f 28.18384 10.95826 14.79765       18.14800 14.79765       18.14800 0.000000       0.000000 28.18384 10.95826 ?        ?        ?              ?        
1 1 1 10 9  19  o 25.92219 10.68815 9.152109       18.34834 9.152109       18.34834 0.000000       0.000000 25.92219 10.68815 ?        ?        ?              ?        
1 1 1 10 9  20  o 28.04830 11.05855 14.96511       18.69807 14.96511       18.69807 0.000000       0.000000 28.04830 11.05855 ?        ?        ?              ?        
1 1 1 10 9  21  o 42.78940 11.11903 46.49944       19.65682 46.49944       19.65682 0.000000       0.000000 42.78940 11.11903 ?        ?        ?              ?        
1 1 1 10 9  22  f 34.10521 11.70447 30.25032       19.72370 30.25032       19.72370 0.000000       0.000000 34.10521 11.70447 ?        ?        ?              ?        
1 1 1 10 9  23  o 30.77506 11.15704 23.90880       18.11350 23.90880       18.11350 0.000000       0.000000 30.77506 11.15704 ?        ?        ?              ?        
1 1 1 10 9  24  o 22.02604 9.861888 0.3303189      18.31110 0.3303189      18.31110 0.000000       0.000000 22.02604 9.861888 ?        ?        ?              ?        
1 1 1 10 9  25  o 22.04321 9.901297 0.1610783E-01  18.62066 0.1610783E-01  18.62066 0.000000       0.000000 22.04321 9.901297 ?        ?        ?              ?        
1 1 1 10 9  26  o 29.63489 11.44764 21.97511       19.70795 21.97511       19.70795 0.000000       0.000000 29.63489 11.44764 ?        ?        ?              ?        
1 1 1 10 9  27  o 41.43871 13.35674 53.37000       25.77031 53.37000       25.77031 0.000000       0.000000 41.43871 13.35674 ?        ?        ?              ?        
1 1 1 10 9  28  f 22.45811 10.64304 -9.844000      26.17566 -9.844000      26.17566 0.000000       0.000000 22.45811 10.64304 ?        ?        ?              ?        
1 1 1 10 9  29  o 35.81609 13.55419 45.20000       27.25838 45.20000       27.25838 0.000000       0.000000 35.81609 13.55419 ?        ?        ?              ?        
1 1 1 10 10 0   o 48.93870 14.20020 53.67000       30.11788 53.67000       30.11788 0.000000       0.000000 48.93870 14.20020 ?        ?        ?              ?        
1 1 1 10 10 1   o 99.14221 5.961319 206.7106       24.08877 206.7106       24.08877 0.000000       0.000000 99.14221 5.961319 ?        ?        ?              ?        
1 1 1 10 10 2   o 101.4541 5.764265 216.1216       23.84775 216.1216       23.84775 0.000000       0.000000 101.4541 5.764265 ?        ?        ?              ?        
1 1 1 10 10 3   o 140.1325 4.805922 408.9082       27.53575 408.9082       27.53575 0.000000       0.000000 140.1325 4.805922 ?        ?        ?              ?        
1 1 1 10 10 4   o 39.06808 11.65946 35.05423       20.06570 35.05423       20.06570 0.000000       0.000000 39.06808 11.65946 ?        ?        ?              ?        
1 1 1 10 10 5   o 93.11128 4.425517 180.4180       16.82464 178.1416       22.87651 183.1000       24.83073 91.84958 6.117453 92.91024 6.569173 -1.060661      8.976484 
1 1 1 10 10 6   f 65.21872 5.616239 89.77650       14.85236 87.38306       20.83373 92.25000       21.17937 63.27474 8.236324 65.08935 8.122861 -1.814606      11.56797 
1 1 1 10 10 7   o 16.45393 7.749554 -13.34437      13.48513 -2.515307      18.96865 -24.41000      19.17472 23.19513 10.23007 18.40986 8.829983 4.785269       13.51381 
1 1 1 10 10 8   o 31.70251 9.707444 22.48210       13.78377 34.99397       19.61652 10.28000       19.37216 38.76040 11.51864 27.54830 11.12317 11.21210       16.01262 
1 1 1 10 10 9   o 91.59331 4.515896 175.1994       16.88461 148.2417       22.57884 209.4000       25.43183 83.25909 6.678837 99.26424 6.289253 -16.00516      9.173962 
1 1 1 10 10 10  o 58.06012 6.352170 72.29679       14.85548 78.01696       20.69006 66.21000       21.34280 59.17123 8.807443 53.77808 10.06195 5.393143       13.37213 
1 1 1 10 10 11  o 23.04870 9.865472 2.253938       16.57496 -13.23000      31.09623 8.399000       19.58981 26.69801 12.29867 26.72721 11.03429 -0.2919769E-01 16.52310 
1 1 1 10 10 12  o 47.82921 9.260857 52.27613       17.48168 24.94000       31.49360 64.45000       21.01687 35.69228 14.26128 52.75790 10.09640 -17.06562      17.47346 
1 1 1 10 10 13  o 24.42689 10.13931 6.430640       16.66452 13.90000       30.26581 3.181000       19.96311 32.01697 13.50211 24.98943 10.76346 7.027538       17.26728 
1 1 1 10 10 14  o 42.65768 10.52989 43.55726       18.28006 75.37000       31.06096 26.70000       22.61037 53.79796 13.97585 34.19640 12.45533 19.60156       18.72057 
1 1 1 10 10 15  o 38.53041 11.37786 36.49969       19.18917 36.49969       19.18917 0.000000       0.000000 38.53041 11.37786 ?        ?        ?              ?        
1 1 1 10 10 16  o 50.17999 9.913006 59.73777       19.64581 59.73777       19.64581 0.000000       0.000000 50.17999 9.913006 ?        ?        ?              ?        
1 1 1 10 10 17  o 66.62744 8.053094 100.4796       21.52529 100.4796       21.52529 0.000000       0.000000 66.62744 8.053094 ?        ?        ?              ?        
1 1 1 10 10 18  f 66.28521 6.317832 96.42688       16.94066 96.03831       22.65232 96.92000       25.51837 64.17910 8.855516 63.28933 10.19300 0.8897743      13.50249 
1 1 1 10 10 19  o 41.32645 11.08383 44.14661       19.14103 6.288000       32.17728 64.88000       23.81234 28.91467 12.99946 49.65529 11.87245 -20.74062      17.60514 
1 1 1 10 10 20  o 116.9524 4.948060 293.9215       23.64211 276.4000       32.58440 313.4000       34.35588 110.4808 7.242688 117.7954 7.156525 -7.314598      10.18196 
1 1 1 10 10 21  o 20.02398 9.228240 -6.086165      17.53478 -42.97000      24.32973 33.78000       25.29423 17.80884 8.828765 34.52714 13.05892 -16.71831      15.76333 
1 1 1 10 10 22  o 20.87977 9.532895 -3.572775      18.12635 -3.122000      24.65554 -4.103000      26.74023 23.81662 10.96404 24.37813 11.29171 -0.5615101     15.73889 
1 1 1 10 10 23  o 22.26962 9.585773 5.040214       15.81390 0.7743447      19.25164 13.89000       27.72875 22.52126 10.09564 28.53447 12.48343 -6.013218      16.05485 
1 1 1 10 10 24  o 21.22559 9.401716 1.484030       16.18751 1.410852       19.70313 1.636000       28.39381 22.79639 10.21659 25.87549 11.85792 -3.079100      15.65213 
1 1 1 10 10 25  o 46.27748 9.285158 54.02678       16.98232 40.88422       20.48592 82.90000       30.36430 37.56247 11.88767 51.22388 14.05452 -13.66141      18.40778 
1 1 1 10 10 26  o 31.61786 10.75155 27.94539       16.63522 5.796773       20.38795 72.06000       28.77342 23.64047 10.50689 46.56219 13.97745 -22.92171      17.48611 
1 1 1 10 10 27  o 49.39907 9.208124 63.19758       17.94071 56.07114       21.43668 79.86000       32.77858 43.23101 11.78778 45.87599 15.08346 -2.644974      19.14322 
1 1 1 11 0  -38 o 17.97148 12.20440 -1.789000      27.08212 -1.789000      27.08212 -1.789000      27.08212 17.97148 12.20440 17.97148 12.20440 -0.000000      0.000000 
1 1 1 11 0  -37 o 17.80103 12.09302 -3.679000      26.63951 -3.679000      26.63951 -3.679000      26.63951 17.80103 12.09302 17.80103 12.09302 0.000000       0.000000 
1 1 1 11 0  -36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 0  -35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 0  -34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 0  -33 o 41.70004 16.46332 57.13000       27.02445 57.13000       27.02445 57.13000       27.02445 41.70004 16.46332 41.70004 16.46332 -0.000000      0.000000 
1 1 1 11 0  -32 o 17.45272 11.85795 -8.229000      25.63112 -8.229000      25.63112 -8.229000      25.63112 17.45272 11.85795 17.45272 11.85795 0.000000       0.000000 
1 1 1 11 0  -31 o 21.28370 13.49439 8.096000       25.44063 8.096000       25.44063 8.096000       25.44063 21.28370 13.49439 21.28370 13.49439 0.000000       0.000000 
1 1 1 11 0  -30 o 30.89912 16.16168 33.34000       26.83482 33.34000       26.83482 33.34000       26.83482 30.89912 16.16168 30.89912 16.16168 0.000000       0.000000 
1 1 1 11 0  -29 o 42.74123 16.99029 56.51000       28.71228 56.51000       28.71228 56.51000       28.71228 42.74123 16.99029 42.74123 16.99029 0.000000       0.000000 
1 1 1 11 0  -28 o 15.22905 10.72695 -27.28000      26.35116 -27.28000      26.35116 -27.28000      26.35116 15.22905 10.72695 15.22905 10.72695 0.000000       0.000000 
1 1 1 11 0  -27 o 101.9097 8.385138 221.9000       34.42686 221.9000       34.42686 221.9000       34.42686 101.9097 8.385138 101.9097 8.385138 0.000000       0.000000 
1 1 1 11 0  -26 o 81.93815 10.43083 147.9000       33.45033 147.9000       33.45033 147.9000       33.45033 81.93815 10.43083 81.93815 10.43083 -0.000000      0.000000 
1 1 1 11 0  -25 o 92.60412 9.965511 185.5000       36.68322 185.5000       36.68322 185.5000       36.68322 92.60412 9.965511 92.60412 9.965511 -0.000000      0.000000 
1 1 1 11 0  -24 o 94.85186 9.649376 193.1000       36.51554 193.1000       36.51554 193.1000       36.51554 94.85186 9.649376 94.85186 9.649376 0.000000       0.000000 
1 1 1 11 0  -23 o 25.10727 15.70611 9.268000       33.21324 9.268000       33.21324 9.268000       33.21324 25.10727 15.70611 25.10727 15.70611 0.000000       0.000000 
1 1 1 11 0  -22 o 101.1394 9.669879 217.7000       39.15283 217.7000       39.15283 217.7000       39.15283 101.1394 9.669879 101.1394 9.669879 0.000000       0.000000 
1 1 1 11 0  -21 o 18.33912 12.86419 -37.73000      36.71620 -37.73000      36.71620 -37.73000      36.71620 18.33912 12.86419 18.33912 12.86419 -0.000000      0.000000 
1 1 1 11 0  -20 o 34.98416 19.01261 36.93000       38.39012 36.93000       38.39012 36.93000       38.39012 34.98416 19.01261 34.98416 19.01261 -0.000000      0.000000 
1 1 1 11 0  -19 o 29.70176 17.81853 19.61000       38.86450 19.61000       38.86450 19.61000       38.86450 29.70176 17.81853 29.70176 17.81853 -0.000000      0.000000 
1 1 1 11 0  -18 f 204.6349 7.089568 863.3000       59.24327 863.3000       59.24327 863.3000       59.24327 204.6349 7.089568 204.6349 7.089568 -0.000000      0.000000 
1 1 1 11 0  -17 o 16.96654 12.08308 -51.87000      36.73465 -51.87000      36.73465 -51.87000      36.73465 16.96654 12.08308 16.96654 12.08308 -0.000000      0.000000 
1 1 1 11 0  -16 o 140.5466 7.964499 409.6000       45.49630 409.6000       45.49630 409.6000       45.49630 140.5466 7.964499 140.5466 7.964499 0.000000       0.000000 
1 1 1 11 0  -15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 0  -14 o 45.48548 18.76091 59.99000       34.62594 59.99000       34.62594 59.99000       34.62594 45.48548 18.76091 45.48548 18.76091 0.000000       0.000000 
1 1 1 11 0  -13 o 103.8609 8.885274 226.3000       37.12588 226.3000       37.12588 226.3000       37.12588 103.8609 8.885274 103.8609 8.885274 0.000000       0.000000 
1 1 1 11 0  -12 o 26.58193 16.05158 14.19000       31.95660 14.19000       31.95660 14.19000       31.95660 26.58193 16.05158 26.58193 16.05158 0.000000       0.000000 
1 1 1 11 0  -11 o 37.61680 17.71333 42.79000       30.72462 42.79000       30.72462 42.79000       30.72462 37.61680 17.71333 37.61680 17.71333 0.000000       0.000000 
1 1 1 11 0  -10 o 172.3794 6.318899 611.5000       44.46548 611.5000       44.46548 611.5000       44.46548 172.3794 6.318899 172.3794 6.318899 0.000000       0.000000 
1 1 1 11 0  -9  o 251.2205 6.393597 1296.000       65.67327 1296.000       65.67327 1296.000       65.67327 251.2205 6.393597 251.2205 6.393597 0.000000       0.000000 
1 1 1 11 0  -8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 0  -7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 0  -6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 0  -5  o 243.8834 6.179028 1221.000       61.61642 1221.000       61.61642 1221.000       61.61642 243.8834 6.179028 243.8834 6.179028 0.000000       0.000000 
1 1 1 11 0  -4  o 386.1536 7.728308 3060.000       122.0889 3060.000       122.0889 3060.000       122.0889 386.1536 7.728308 386.1536 7.728308 0.000000       0.000000 
1 1 1 11 0  -3  o 169.6524 6.044346 591.9000       41.86779 591.9000       41.86779 591.9000       41.86779 169.6524 6.044346 169.6524 6.044346 -0.000000      0.000000 
1 1 1 11 0  -2  o 346.4584 7.223973 2463.000       102.3824 2463.000       102.3824 2463.000       102.3824 346.4584 7.223973 346.4584 7.223973 0.000000       0.000000 
1 1 1 11 0  -1  o 153.2418 6.240527 483.5000       39.01031 483.5000       39.01031 483.5000       39.01031 153.2418 6.240527 153.2418 6.240527 0.000000       0.000000 
1 1 1 11 0  0   o 32.44722 16.55854 31.73000       27.70975 31.73000       27.70975 31.73000       27.70975 32.44722 16.55854 32.44722 16.55854 0.000000       0.000000 
1 1 1 11 0  1   o 61.29110 13.50777 87.40000       29.65806 87.40000       29.65806 87.40000       29.65806 61.29110 13.50777 61.29110 13.50777 0.000000       0.000000 
1 1 1 11 0  2   o 54.68687 15.24797 74.05000       29.54005 74.05000       29.54005 74.05000       29.54005 54.68687 15.24797 54.68687 15.24797 0.000000       0.000000 
1 1 1 11 0  3   o 44.65888 16.34933 54.63000       27.57818 54.63000       27.57818 54.63000       27.57818 44.65888 16.34933 44.65888 16.34933 0.000000       0.000000 
1 1 1 11 0  4   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 0  5   o 188.3484 5.751634 728.8000       44.26486 728.8000       44.26486 728.8000       44.26486 188.3484 5.751634 188.3484 5.751634 0.000000       0.000000 
1 1 1 11 0  6   o 362.6571 7.333684 2699.000       108.8033 2699.000       108.8033 2699.000       108.8033 362.6571 7.333684 362.6571 7.333684 0.000000       0.000000 
1 1 1 11 0  7   o 350.1379 7.163454 2516.000       102.6067 2516.000       102.6067 2516.000       102.6067 350.1379 7.163454 350.1379 7.163454 0.000000       0.000000 
1 1 1 11 0  8   o 58.39073 11.64458 77.75000       24.71622 77.75000       24.71622 77.75000       24.71622 58.39073 11.64458 58.39073 11.64458 0.000000       0.000000 
1 1 1 11 0  9   o 119.7429 6.314647 296.3000       30.76378 296.3000       30.76378 296.3000       30.76378 119.7429 6.314647 119.7429 6.314647 0.000000       0.000000 
1 1 1 11 0  10  o 187.9423 5.772133 725.9000       44.32576 725.9000       44.32576 725.9000       44.32576 187.9423 5.772133 187.9423 5.772133 0.000000       0.000000 
1 1 1 11 0  11  o 150.8013 5.976047 468.3000       36.76955 468.3000       36.76955 468.3000       36.76955 150.8013 5.976047 150.8013 5.976047 0.000000       0.000000 
1 1 1 11 0  12  o 108.8745 7.216070 246.3000       31.84097 246.3000       31.84097 246.3000       31.84097 108.8745 7.216070 108.8745 7.216070 0.000000       0.000000 
1 1 1 11 0  13  o 147.4391 6.135523 448.0000       36.89531 448.0000       36.89531 448.0000       36.89531 147.4391 6.135523 147.4391 6.135523 0.000000       0.000000 
1 1 1 11 0  14  o 312.3517 6.731789 2004.000       86.00886 2004.000       86.00886 2004.000       86.00886 312.3517 6.731789 312.3517 6.731789 0.000000       0.000000 
1 1 1 11 0  15  o 128.9003 6.586485 343.5000       34.55593 343.5000       34.55593 343.5000       34.55593 128.9003 6.586485 128.9003 6.586485 0.000000       0.000000 
1 1 1 11 0  16  o 217.0284 5.988121 968.3000       53.12309 968.3000       53.12309 968.3000       53.12309 217.0284 5.988121 217.0284 5.988121 0.000000       0.000000 
1 1 1 11 0  17  o 57.43180 14.02474 79.03000       28.56944 79.03000       28.56944 79.03000       28.56944 57.43180 14.02474 57.43180 14.02474 0.000000       0.000000 
1 1 1 11 0  18  f 305.8666 6.736205 1924.000       84.27447 1924.000       84.27447 1924.000       84.27447 305.8666 6.736205 305.8666 6.736205 0.000000       0.000000 
1 1 1 11 0  19  o 146.3309 6.386180 442.3000       38.09873 442.3000       38.09873 442.3000       38.09873 146.3309 6.386180 146.3309 6.386180 0.000000       0.000000 
1 1 1 11 0  20  o 223.0409 4.147575 1021.242       37.84986 1021.242       37.84986 1021.242       37.84986 223.0409 4.147575 223.0409 4.147575 0.000000       0.000000 
1 1 1 11 0  21  o 31.42933 12.99989 28.77522       16.61404 28.77522       16.61404 28.77522       16.61404 31.42933 12.99989 31.42933 12.99989 0.000000       0.000000 
1 1 1 11 0  22  o 94.01305 6.705795 184.8000       25.50686 184.8000       25.50686 184.8000       25.50686 94.01305 6.705795 94.01305 6.705795 0.000000       0.000000 
1 1 1 11 0  23  o 130.0695 5.684996 350.2000       30.14623 350.2000       30.14623 350.2000       30.14623 130.0695 5.684996 130.0695 5.684996 0.000000       0.000000 
1 1 1 11 0  24  o 23.10314 13.05727 15.22000       18.94388 15.22000       18.94388 15.22000       18.94388 23.10314 13.05727 23.10314 13.05727 0.000000       0.000000 
1 1 1 11 0  25  o 13.07606 8.767867 -4.694578      13.14881 -4.694578      13.14881 -4.694578      13.14881 13.07606 8.767867 13.07606 8.767867 0.000000       0.000000 
1 1 1 11 0  26  o 42.69944 8.545596 42.12218       13.25646 42.12218       13.25646 42.12218       13.25646 42.69944 8.545596 42.69944 8.545596 0.000000       0.000000 
1 1 1 11 0  27  o 15.17416 9.520975 2.985236       12.30266 2.985236       12.30266 2.985236       12.30266 15.17416 9.520975 15.17416 9.520975 0.000000       0.000000 
1 1 1 11 0  28  o 10.81067 7.535407 -10.78597      12.04225 -10.78597      12.04225 -10.78597      12.04225 10.81067 7.535407 10.81067 7.535407 0.000000       0.000000 
1 1 1 11 0  29  o 29.74484 10.97719 25.14617       12.37963 25.14617       12.37963 25.14617       12.37963 29.74484 10.97719 29.74484 10.97719 0.000000       0.000000 
1 1 1 11 0  30  o 23.32174 11.95313 17.74000       14.47747 17.74000       14.47747 17.74000       14.47747 23.32174 11.95313 23.32174 11.95313 0.000000       0.000000 
1 1 1 11 0  31  o 34.66208 10.23296 31.49255       12.62594 31.49255       12.62594 31.49255       12.62594 34.66208 10.23296 34.66208 10.23296 0.000000       0.000000 
1 1 1 11 0  32  o 35.30748 9.831077 32.17046       12.29569 32.17046       12.29569 32.17046       12.29569 35.30748 9.831077 35.30748 9.831077 0.000000       0.000000 
1 1 1 11 0  33  o 13.18520 8.642648 -0.3572350     11.63879 -0.3572350     11.63879 -0.3572350     11.63879 13.18520 8.642648 13.18520 8.642648 0.000000       0.000000 
1 1 1 11 0  34  o 24.21917 14.40969 20.81000       25.01716 20.81000       25.01716 20.81000       25.01716 24.21917 14.40969 24.21917 14.40969 0.000000       0.000000 
1 1 1 11 0  35  o 19.47365 12.76299 4.565000       25.36969 4.565000       25.36969 4.565000       25.36969 19.47365 12.76299 19.47365 12.76299 0.000000       0.000000 
1 1 1 11 0  36  o 41.41753 16.20932 57.71000       26.28304 57.71000       26.28304 57.71000       26.28304 41.41753 16.20932 41.41753 16.20932 0.000000       0.000000 
1 1 1 11 0  37  o 17.64920 11.93029 -2.411000      25.28802 -2.411000      25.28802 -2.411000      25.28802 17.64920 11.93029 17.64920 11.93029 0.000000       0.000000 
1 1 1 11 0  38  o 32.49544 16.34083 44.59000       26.76605 44.59000       26.76605 44.59000       26.76605 32.49544 16.34083 32.49544 16.34083 0.000000       0.000000 
1 1 1 11 1  -38 o 21.43522 9.796465 0.5201679      19.20608 -24.61000      27.62857 24.02000       26.71733 20.38967 9.968634 28.95715 12.46193 -8.567488      15.95849 
1 1 1 11 1  -37 o 29.58470 11.35677 24.67162       19.31043 33.88000       27.70382 15.97000       26.93073 32.35631 13.21387 27.49612 12.15545 4.860193       17.95443 
1 1 1 11 1  -36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 1  -35 f 26.69558 10.88545 14.72043       18.76565 14.09000       26.24388 15.38000       26.84356 28.20783 12.24521 28.66476 12.41418 -0.4569302     17.43723 
1 1 1 11 1  -34 o 23.66549 10.17243 6.758671       17.76161 18.71000       24.69108 -6.058000      25.56935 29.26697 12.25972 23.58335 10.96409 5.683615       16.44725 
1 1 1 11 1  -33 o 20.60068 9.412799 -4.426662      17.71727 -19.00000      24.80174 10.76000       25.31826 21.22467 10.14295 27.50676 11.98308 -6.282091      15.69948 
1 1 1 11 1  -32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 1  -31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 1  -30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 1  -29 o 79.87663 6.859534 138.2371       22.21861 123.3000       33.31763 150.2000       29.81675 71.81919 11.73429 81.66642 9.069209 -9.847229      14.83051 
1 1 1 11 1  -28 f 25.66422 10.89332 4.650488       19.91237 -5.110000      30.74873 11.70000       26.13190 28.16927 12.68229 30.47118 12.67665 -2.301905      17.93147 
1 1 1 11 1  -27 o 76.61131 7.290065 126.2657       22.59377 127.7000       35.61787 125.3000       29.22657 74.05780 12.16774 74.93624 9.756351 -0.8784409     15.59616 
1 1 1 11 1  -26 o 97.51926 6.262329 200.6150       24.87420 181.3000       37.84880 215.3000       33.00204 90.38346 10.41711 100.0539 8.125182 -9.670418      13.21116 
1 1 1 11 1  -25 o 49.05592 11.74150 54.99208       23.27072 74.28000       35.21485 40.04000       31.00517 55.74549 15.06999 42.54559 14.67206 13.19990       21.03269 
1 1 1 11 1  -24 o 74.11008 8.121478 117.2034       24.24226 150.7000       36.96741 91.93000       32.11077 82.75823 11.19585 63.66214 12.76289 19.09609       16.97759 
1 1 1 11 1  -23 o 39.18013 12.83682 32.82631       23.74979 34.95000       36.38647 31.25000       31.34836 42.53340 15.74855 40.13832 14.65879 2.395081       21.51504 
1 1 1 11 1  -22 f 104.2567 6.469903 226.5202       27.48405 233.7000       42.12803 221.2000       36.26437 104.6756 9.948267 102.2834 8.742399 2.392212       13.24377 
1 1 1 11 1  -21 o 111.7601 6.299472 259.3677       28.71136 275.4000       44.12967 247.6000       37.80752 114.1657 9.526730 108.5362 8.576715 5.629448       12.81868 
1 1 1 11 1  -20 o 98.95568 7.084575 203.8914       28.51648 218.8000       44.24762 193.3000       37.29471 101.4387 10.81957 95.65178 9.654004 5.786934       14.50044 
1 1 1 11 1  -19 o 73.59566 9.458204 114.6157       27.84449 128.7000       44.72243 105.7000       35.58243 76.46318 14.81913 69.67609 12.94825 6.787086       19.67902 
1 1 1 11 1  -18 o 70.59098 10.05978 105.7215       28.25601 180.4000       46.34561 61.54000       35.64764 91.84870 12.65916 53.15734 15.45609 38.69136       19.97861 
1 1 1 11 1  -17 o 191.9673 5.063080 757.7627       39.76374 769.7000       60.34154 748.6000       52.86591 192.9410 7.652967 190.4735 6.789095 2.467529       10.23033 
1 1 1 11 1  -16 o 102.6857 7.140749 218.2582       29.83760 275.1000       46.96950 179.8000       38.63459 114.7757 10.09686 92.54869 10.37316 22.22706       14.47581 
1 1 1 11 1  -15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 1  -14 o 135.4375 5.797530 377.4745       32.07748 395.9000       49.14707 363.8000       42.33920 138.2737 8.724757 132.6765 7.828143 5.597290       11.72183 
1 1 1 11 1  -13 o 181.1426 4.894807 673.7178       36.27290 711.4000       54.62652 644.0000       48.51145 185.8401 7.192175 176.8751 6.710294 8.965073       9.836434 
1 1 1 11 1  -12 o 225.1543 4.677573 1039.747       43.12461 1049.000       63.88399 1032.000       58.45219 225.8112 6.917266 224.0532 6.377749 1.758087       9.408733 
1 1 1 11 1  -11 o 108.2928 6.135835 241.5537       27.09676 256.8000       41.58083 230.3000       35.72380 111.2643 9.209091 105.4570 8.340776 5.807320       12.42481 
1 1 1 11 1  -10 o 49.92431 11.47905 53.54051       22.97534 22.55000       35.40695 76.08000       30.19577 40.01218 15.37338 59.50482 12.77474 -19.49264      19.98837 
1 1 1 11 1  -9  o 230.2290 4.556618 1086.688       42.95633 1092.000       62.73568 1082.000       58.94062 230.5188 6.653322 229.5068 6.277733 1.011993       9.147493 
1 1 1 11 1  -8  o 159.4714 4.688612 521.8096       30.58297 504.3000       44.71495 537.2000       41.92174 156.5582 6.992779 161.6627 6.345259 -5.104446      9.442525 
1 1 1 11 1  -7  o 49.11177 10.76046 51.62326       21.03979 44.68000       32.65781 56.55000       27.50965 46.94000 15.02705 51.33291 13.05866 -4.392914      19.90831 
1 1 1 11 1  -6  o 176.8386 4.458273 641.3298       32.25683 648.0000       47.45279 635.6000       43.98090 177.5851 6.536911 175.9153 6.115006 1.669785       8.951230 
1 1 1 11 1  -5  o 426.4331 5.903211 3729.519       103.0774 3700.000       145.8199 3759.000       145.7271 424.3654 8.391749 427.7482 8.320087 -3.382813      11.81716 
1 1 1 11 1  -4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 1  -3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 1  -2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 1  -1  o 213.9831 4.311160 938.2366       37.77443 973.5000       56.42705 909.6000       50.84946 217.7713 6.334670 210.5336 5.904316 7.237717       8.659618 
1 1 1 11 1  0   o 122.3625 4.943138 307.3725       24.71615 294.6000       38.28482 316.5000       32.36422 119.5358 7.865460 124.0584 6.392661 -4.522606      10.13566 
1 1 1 11 1  1   o 115.0307 5.062407 271.7403       23.78648 272.2000       36.47241 271.4000       31.37784 114.8870 7.799227 114.8260 6.702712 0.6092834E-01  10.28369 
1 1 1 11 1  2   o 223.9902 4.327601 1028.063       39.69179 977.5000       56.59680 1077.000       55.67976 218.2152 6.340788 229.0971 5.940457 -10.88190      8.688765 
1 1 1 11 1  3   o 224.5922 4.322441 1033.612       39.75100 1005.000       57.38822 1060.000       55.11357 221.2620 6.340734 227.2782 5.927167 -6.016159      8.679644 
1 1 1 11 1  4   o 356.7459 5.195474 2608.995       75.89420 2713.000       111.4294 2519.000       103.6532 363.5347 7.485651 350.3279 7.225759 13.20679       10.40416 
1 1 1 11 1  5   o 124.9382 4.685921 320.3832       23.93008 331.5000       36.13570 311.7000       31.93649 126.9010 6.981090 123.1001 6.357381 3.800980       9.442029 
1 1 1 11 1  6   o 286.9924 4.590407 1688.187       53.94435 1741.000       78.97728 1642.000       73.85748 291.2710 6.621867 282.8923 6.376008 8.378693       9.192530 
1 1 1 11 1  7   o 97.59406 5.459213 195.9360       21.72918 244.1000       34.00566 162.7000       28.24842 108.7426 7.686608 88.64719 7.863749 20.09544       10.99648 
1 1 1 11 1  8   o 161.8955 4.308573 537.5997       28.53688 535.9000       42.45897 539.0000       38.53960 161.4576 6.435132 161.9845 5.819904 -0.5269470     8.676532 
1 1 1 11 1  9   o 191.2233 4.209706 749.5141       32.96226 776.8000       49.08337 727.1000       44.48628 194.4461 6.172503 188.1575 5.780900 6.288559       8.456867 
1 1 1 11 1  10  o 146.9295 4.442326 443.0090       26.69591 426.4000       39.87545 456.5000       35.93822 143.9228 6.785412 149.0226 5.901189 -5.099854      8.992544 
1 1 1 11 1  11  o 306.0973 4.762917 1921.595       59.69760 1918.000       85.60056 1925.000       83.29688 305.5310 6.842219 306.1188 6.645296 -0.5878601     9.538130 
1 1 1 11 1  12  o 110.8320 5.165811 252.5820       23.37931 250.7000       35.66584 254.0000       30.95832 110.0901 7.965758 110.9631 6.846914 -0.8730164     10.50398 
1 1 1 11 1  13  o 126.7485 4.815508 330.0655       24.94703 341.9000       37.87876 321.0000       33.15257 128.7287 7.215016 124.8112 6.509430 3.917587       9.717465 
1 1 1 11 1  14  o 50.28071 10.25686 54.15563       20.40120 87.54000       31.86686 30.97000       26.55688 63.81524 12.64242 39.98548 13.58473 23.82976       18.55737 
1 1 1 11 1  15  o 254.6170 4.438120 1330.131       46.27121 1338.000       67.11054 1323.000       63.88341 254.9907 6.432635 253.6854 6.149903 1.305313       8.899444 
1 1 1 11 1  16  o 241.4047 3.522768 1194.940       34.82203 1192.872       42.78463 1199.000       59.93287 241.1015 4.333745 241.3785 6.068573 -0.2769928     7.457139 
1 1 1 11 1  17  o 81.11144 4.975738 135.6755       16.44633 131.3081       20.03451 144.7000       28.79903 79.63046 6.192995 83.20758 8.575272 -3.577126      10.57773 
1 1 1 11 1  18  o 170.0276 3.437306 593.0565       23.93107 599.3290       29.59186 581.2000       40.68423 170.8372 4.230243 167.8884 5.927382 2.948853       7.282089 
1 1 1 11 1  19  o 89.43607 4.540413 164.8582       16.57331 176.3879       20.54897 143.4000       28.03347 92.38604 5.456292 82.70325 8.394245 9.682785       10.01172 
1 1 1 11 1  20  o 135.5509 3.583458 377.6025       19.87229 380.9790       24.69587 371.4000       33.47152 136.0196 4.439976 133.9505 6.118643 2.069168       7.559840 
1 1 1 11 1  21  o 50.16855 6.935153 53.17091       13.86599 46.98832       17.41153 63.89000       22.92613 46.53111 9.461052 54.11846 10.72494 -7.587353      14.30160 
1 1 1 11 1  22  f 86.07444 4.317891 153.0192       15.16985 159.1855       19.35561 143.2000       24.42480 87.57858 5.424019 82.58646 7.297687 4.992119       9.092646 
1 1 1 11 1  23  o 68.03719 4.959799 96.19983       13.72277 102.3781       17.81303 87.18000       21.52296 69.89262 6.291444 63.84562 8.439248 6.047001       10.52631 
1 1 1 11 1  24  o 71.90507 4.638216 107.3653       13.58351 101.0835       17.53176 116.8000       21.48564 69.36371 6.239213 74.31777 7.148507 -4.954063      9.488357 
1 1 1 11 1  25  o 99.37720 3.146801 203.5238       12.78889 195.1550       19.30382 210.0704       17.07331 96.86459 4.882662 100.7234 4.148523 -3.858841      6.407077 
1 1 1 11 1  26  o 28.49171 9.776306 16.65734       13.76035 42.60000       21.03775 -2.740000      18.19127 42.92409 11.66661 22.79025 10.03618 20.13384       15.38944 
1 1 1 11 1  27  o 92.32257 4.567632 177.8424       17.21365 171.6000       25.32882 183.2000       23.46538 89.58474 6.959437 92.98185 6.198581 -3.397110      9.319666 
1 1 1 11 1  28  f 43.24224 5.284613 39.82394       9.163002 48.84488       14.26054 33.48066       11.95824 47.04986 7.665750 38.73586 7.809236 8.314003       10.94294 
1 1 1 11 1  29  o 103.9375 2.949466 223.4716       12.54009 224.3753       18.67928 222.7301       16.91971 103.4905 4.418103 103.3179 4.006981 0.1726151      5.964523 
1 1 1 11 1  30  o 80.23737 3.440738 134.0274       11.27826 142.5385       16.90224 127.1965       15.14226 81.97422 5.060163 77.56187 4.791186 4.412346       6.968553 
1 1 1 11 1  31  o 49.75167 4.956875 52.94865       9.963882 54.55639       15.14810 51.72260       13.22832 49.04366 7.804371 48.23713 6.893062 0.8065300      10.41261 
1 1 1 11 1  32  o 21.03454 8.611800 5.921740       11.80367 3.019219       14.14436 12.58000       21.42279 21.14975 9.084173 27.48715 11.45987 -6.337400      14.62364 
1 1 1 11 1  33  o 42.44126 7.693786 42.14822       12.87845 44.53160       15.02241 35.54000       25.01415 42.81038 8.861852 35.42474 13.06815 7.385632       15.78952 
1 1 1 11 1  34  o 42.82530 7.518770 42.96378       12.70399 37.82168       14.48518 60.10000       26.44301 38.89285 9.234194 44.77777 13.38968 -5.884926      16.26511 
1 1 1 11 1  35  f 20.04011 8.500859 4.077846       12.11354 2.741638       13.95387 8.165000       24.40441 20.53251 8.920986 26.23607 11.58606 -5.703566      14.62261 
1 1 1 11 1  36  f 20.77734 8.659113 6.086812       12.22419 8.181967       13.99697 -0.6484000     25.09583 22.42517 9.299016 24.08890 11.07923 -1.663733      14.46447 
1 1 1 11 1  37  o 31.98997 11.41536 30.07658       18.87571 17.19000       26.93642 42.51000       26.45857 27.78995 12.22617 35.40473 13.36385 -7.614782      18.11275 
1 1 1 11 1  38  o 24.95949 10.70382 12.90923       19.58055 -10.13000      28.73892 32.87000       26.75008 22.64871 10.84901 31.46131 12.93167 -8.812593      16.87984 
1 1 1 11 2  -37 o 17.04176 8.299700 -21.07401      18.63037 -15.45000      26.42783 -26.63000      26.26755 21.21641 10.22474 19.69873 9.649563 1.517679       14.05914 
1 1 1 11 2  -36 o 26.05112 10.81223 15.02419       18.94671 6.622000       27.06406 23.10000       26.53320 25.64802 11.68623 29.50241 12.55048 -3.854393      17.14884 
1 1 1 11 2  -35 o 31.63413 11.51011 27.32969       19.30177 37.48000       27.67067 17.71000       26.93772 34.90525 13.54246 28.96246 12.48914 5.942791       18.42219 
1 1 1 11 2  -34 o 50.02087 9.715732 62.88596       19.18248 74.91000       27.98530 52.23000       26.34517 50.39771 13.35039 41.35679 13.51825 9.040924       18.99937 
1 1 1 11 2  -33 o 18.85718 8.882527 -11.52696      17.72601 -12.30000      25.94259 -10.85000      24.27695 22.62633 10.68470 22.19577 10.43645 0.4305553      14.93594 
1 1 1 11 2  -32 o 21.37700 9.580846 -0.8845949     17.32917 -4.965000      24.92367 2.934000       24.11082 23.83699 10.99146 25.25845 11.31224 -1.421465      15.77273 
1 1 1 11 2  -31 o 47.18253 10.24202 55.08564       19.21863 72.32000       27.09297 37.63000       27.26634 51.72847 12.84885 37.09123 13.65057 14.63723       18.74649 
1 1 1 11 2  -30 o 56.60520 8.746055 73.92990       19.61912 70.54000       28.24554 77.09000       27.27135 51.55591 13.29405 54.81319 12.43689 -3.257278      18.20461 
1 1 1 11 2  -29 o 77.11482 6.586725 129.1860       20.59955 120.7000       30.05960 136.7000       28.28560 71.43663 10.59709 77.40273 9.098042 -5.966095      13.96684 
1 1 1 11 2  -28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 2  -27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 2  -26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 2  -25 o 103.8090 6.070687 226.9476       25.69200 160.6000       41.87495 267.0000       32.53540 83.45228 12.65052 112.0474 7.128329 -28.59510      14.52063 
1 1 1 11 2  -24 o 64.63271 9.153593 91.17509       23.54822 61.62000       39.71435 107.2000       29.24348 50.71092 16.59886 69.48198 10.61482 -18.77106      19.70270 
1 1 1 11 2  -23 o 181.5738 4.908125 683.4537       36.45817 700.9000       57.46433 671.7000       47.16665 182.2314 7.718546 179.2080 6.438125 3.023331       10.05114 
1 1 1 11 2  -22 o 135.5013 5.453504 381.1646       30.19640 373.3000       47.76542 386.4000       38.97212 132.6156 8.846783 135.8141 7.031795 -3.198502      11.30096 
1 1 1 11 2  -21 o 103.8105 6.589125 224.8979       27.86420 230.3000       45.69445 221.7000       35.15721 103.3705 10.96240 102.4442 8.456375 0.9262848      13.84502 
1 1 1 11 2  -20 o 82.85750 8.105660 144.6207       27.14938 136.5000       44.90282 149.3000       34.08541 78.14063 14.56955 83.54485 10.17329 -5.404228      17.76985 
1 1 1 11 2  -19 o 180.2000 5.157663 669.8868       38.01763 677.0000       58.54441 664.7000       49.99273 180.2218 7.952884 178.9903 6.833630 1.231491       10.48555 
1 1 1 11 2  -18 o 74.08296 9.397021 116.2426       27.86534 95.07000       45.11687 129.3000       35.43081 64.96255 16.82751 77.59405 11.49886 -12.63150      20.38109 
1 1 1 11 2  -17 o 159.6407 5.515082 525.3284       35.99708 520.0000       56.82389 528.9000       46.52259 157.9996 8.818142 159.8225 7.126812 -1.822906      11.33804 
1 1 1 11 2  -16 o 71.70737 10.12096 108.9719       28.89194 104.0000       46.96085 112.0000       36.64891 68.44539 16.86653 72.01097 12.90298 -3.565582      21.23597 
1 1 1 11 2  -15 o 303.3184 5.178931 1890.572       64.32256 1869.000       93.44118 1910.000       88.67734 300.8545 7.591095 304.3762 7.115043 -3.521729      10.40426 
1 1 1 11 2  -14 o 135.6261 5.797234 378.8053       32.12073 392.5000       49.87577 369.1000       41.98715 137.5249 8.904819 133.5742 7.709365 3.950714       11.77837 
1 1 1 11 2  -13 o 138.6331 5.606254 395.4651       31.75905 384.8000       48.80177 403.3000       41.82845 136.2479 8.794423 139.7552 7.335039 -3.507324      11.45184 
1 1 1 11 2  -12 o 118.3788 6.242318 288.8100       30.15134 255.8000       47.17929 311.6000       39.20136 110.6844 10.53671 122.7475 7.840443 -12.06303      13.13373 
1 1 1 11 2  -11 o 167.9049 6.616119 580.4000       45.39835 0.000000       0.000000 580.4000       45.39835 ?        ?        167.9049 6.616119 ?              ?        
1 1 1 11 2  -10 o 85.51054 9.716660 152.8000       33.41948 0.000000       0.000000 152.8000       33.41948 ?        ?        85.51054 9.716660 ?              ?        
1 1 1 11 2  -9  o 135.8356 6.950693 380.2000       38.53184 0.000000       0.000000 380.2000       38.53184 ?        ?        135.8356 6.950693 ?              ?        
1 1 1 11 2  -8  o 80.75375 9.784065 136.4000       31.69335 0.000000       0.000000 136.4000       31.69335 ?        ?        80.75375 9.784065 ?              ?        
1 1 1 11 2  -7  o 258.2047 4.734008 1367.182       50.05156 1365.000       74.23541 1369.000       67.77244 257.6506 7.043087 258.2023 6.410156 -0.5516357     9.523401 
1 1 1 11 2  -6  o 115.5232 5.683003 274.4904       26.80010 232.4000       42.58165 302.1000       34.48748 105.7289 9.952756 121.0724 6.986183 -15.34354      12.15994 
1 1 1 11 2  -5  o 239.7173 4.645229 1178.171       45.59643 1164.000       67.59974 1190.000       61.76124 237.9630 6.945063 240.6965 6.271798 -2.733521      9.357849 
1 1 1 11 2  -4  o 243.3338 6.220183 1216.000       61.92612 0.000000       0.000000 1216.000       61.92612 ?        ?        243.3338 6.220183 ?              ?        
1 1 1 11 2  -3  o 345.2365 7.218374 2448.000       102.0424 0.000000       0.000000 2448.000       102.0424 ?        ?        345.2365 7.218374 ?              ?        
1 1 1 11 2  -2  o 64.99539 10.69647 89.32000       27.47795 0.000000       0.000000 89.32000       27.47795 ?        ?        64.99539 10.69647 ?              ?        
1 1 1 11 2  -1  o 220.6524 4.480200 997.9767       40.47906 982.0000       60.40448 1011.000       54.53630 218.6125 6.756026 221.9030 6.007555 -3.290497      9.040719 
1 1 1 11 2  0   o 133.9200 4.933553 368.2002       27.00765 351.5000       42.51387 379.5000       34.97073 130.5453 7.991553 135.8456 6.304064 -5.300293      10.17871 
1 1 1 11 2  1   o 102.3255 9.627173 217.4000       39.86339 217.4000       39.86339 0.000000       0.000000 102.3255 9.627173 ?        ?        ?              ?        
1 1 1 11 2  2   o 263.2830 6.778642 1424.000       73.01776 1424.000       73.01776 0.000000       0.000000 263.2830 6.778642 ?        ?        ?              ?        
1 1 1 11 2  3   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 2  4   o 310.5409 4.895818 1977.355       62.25418 1949.000       89.44240 2004.000       86.70290 308.0526 7.090783 312.4113 6.777702 -4.358765      9.808998 
1 1 1 11 2  5   o 310.3519 4.876243 1975.064       61.96753 1905.000       87.67559 2045.000       87.59509 304.5413 7.030855 315.5693 6.778922 -11.02805      9.766612 
1 1 1 11 2  6   o 232.7343 4.460432 1110.459       42.50712 1031.000       61.09751 1185.000       59.17678 223.9679 6.669564 240.2105 6.021121 -16.24260      8.985376 
1 1 1 11 2  7   o 44.83017 11.11730 43.14491       20.30703 30.61000       33.50962 50.42000       25.52866 41.95929 15.18023 48.46558 12.70962 -6.506294      19.79833 
1 1 1 11 2  8   o 151.9128 4.568827 473.6530       28.38766 426.0000       43.12178 510.1000       37.71227 143.7679 7.349433 157.5323 5.856599 -13.76437      9.397549 
1 1 1 11 2  9   o 263.3933 4.567854 1422.741       49.26532 1403.000       72.13361 1440.000       67.44578 261.2167 6.749572 264.7981 6.220358 -3.581421      9.178758 
1 1 1 11 2  10  o 135.4770 4.827508 376.9948       26.73734 346.4000       41.33791 399.0000       35.05801 129.5031 7.832109 139.2407 6.164167 -9.737579      9.966889 
1 1 1 11 2  11  o 87.75933 4.658083 158.4378       16.67887 163.5668       20.53678 148.5000       28.58644 89.07310 5.659963 84.48894 8.372980 4.584167       10.10653 
1 1 1 11 2  12  o 81.06525 4.957447 135.3728       16.37704 132.7886       20.15143 140.4000       28.10622 80.14646 6.188302 82.09000 8.483662 -1.943542      10.50084 
1 1 1 11 2  13  o 139.7446 3.659116 400.6740       20.92001 401.7072       26.05610 398.8000       35.09267 139.8429 4.556430 139.1435 6.174644 0.6993866      7.673806 
1 1 1 11 2  14  o 340.2253 4.130513 2374.755       57.54333 2366.940       70.77145 2390.000       98.84747 339.4844 5.091127 340.6376 7.086773 -1.153259      8.725934 
1 1 1 11 2  15  o 254.8531 3.642687 1332.194       38.01336 1322.152       47.08115 1351.000       64.42905 253.7642 4.530982 256.2155 6.141180 -2.451385      7.631769 
1 1 1 11 2  16  o 284.6599 4.501736 1664.320       52.47238 1607.000       72.33032 1728.000       76.23811 279.2809 6.324916 289.5740 6.429663 -10.29309      9.019154 
1 1 1 11 2  17  o 108.7852 4.141148 243.4077       18.41286 257.1948       24.02966 223.8000       28.65655 111.6721 5.269937 103.8966 6.772860 7.775543       8.581600 
1 1 1 11 2  18  o 90.70917 4.579935 169.6567       16.95615 165.4528       22.15576 175.6000       26.34354 89.33173 6.093469 91.85104 7.058406 -2.519318      9.324777 
1 1 1 11 2  19  o 111.0681 4.002195 253.9261       18.17194 257.7955       23.87725 248.6000       28.01350 111.7008 5.234962 109.4675 6.275982 2.233261       8.172685 
1 1 1 11 2  20  o 136.9559 3.631002 385.8175       20.34457 391.9741       26.57467 377.1000       31.62228 137.8258 4.715775 134.9293 5.736604 2.896561       7.426113 
1 1 1 11 2  21  o 37.07868 9.206575 30.10524       13.91370 20.91222       18.60539 41.77000       20.95789 32.64976 11.36012 43.37905 11.58174 -10.72929      16.22310 
1 1 1 11 2  22  o 175.2611 3.320042 631.7706       23.82613 615.5588       30.13587 658.8000       38.91236 172.7421 4.260504 178.2485 5.337364 -5.506332      6.829301 
1 1 1 11 2  23  o 17.21403 7.787333 -5.918711      11.75599 -13.20532      16.63858 1.345000       16.61241 19.12594 8.875581 23.31235 9.924438 -4.186407      13.31429 
1 1 1 11 2  24  o 52.29168 5.903679 57.79384       12.42020 48.43487       17.61352 67.05000       17.51652 46.66873 9.539489 55.73497 7.896116 -9.066238      12.38348 
1 1 1 11 2  25  o 60.41205 5.083096 76.55775       12.45756 84.09778       17.45501 68.73000       17.78492 62.72521 6.910374 56.25006 7.942299 6.475147       10.52774 
1 1 1 11 2  26  o 86.53962 3.896339 155.5244       13.77149 165.7367       19.03171 144.3000       19.95256 88.83537 5.255482 82.58082 5.940273 6.254547       7.931389 
1 1 1 11 2  27  o 68.30676 4.493756 97.75182       12.49910 109.2517       17.74969 86.44000       17.60399 71.55624 6.116451 63.23502 6.911148 8.321213       9.229027 
1 1 1 11 2  28  o 53.57525 5.354693 61.15726       11.58968 57.68531       16.62478 64.44000       16.16544 50.68526 8.297142 54.03569 7.508640 -3.350430      11.19027 
1 1 1 11 2  29  o 83.40280 3.992913 145.5939       13.59664 104.5000       27.98678 158.2895       15.55579 66.35131 10.66211 86.77405 4.392305 -20.42274      11.53139 
1 1 1 11 2  30  o 27.39221 10.37399 15.31489       15.97476 34.55000       26.09388 3.784000       20.20332 36.82750 13.38538 24.78271 10.75123 12.04479       17.16850 
1 1 1 11 2  31  o 36.99620 8.604526 32.57752       12.78797 8.040339       16.07932 74.81000       21.09496 24.00840 9.962134 55.77229 9.582302 -31.76389      13.82261 
1 1 1 11 2  32  o 28.42321 9.302283 19.62624       12.47317 15.71086       15.01891 28.33000       22.39260 26.58278 10.06079 32.80656 12.31335 -6.223780      15.90089 
1 1 1 11 2  33  o 15.97177 7.480379 -8.627501      12.26237 -1.945861      14.31543 -27.04000      23.76398 19.24162 8.658963 19.40953 9.434881 -0.1679134     12.80604 
1 1 1 11 2  34  o 21.21806 8.856075 6.002702       12.81483 2.547407       14.84828 16.09000       25.37003 20.94858 9.150486 28.60038 12.22267 -7.651798      15.26843 
1 1 1 11 2  35  o 31.45897 9.449933 25.40347       13.14878 16.11423       15.10003 54.54000       26.74279 26.30926 10.05685 41.60465 13.62113 -15.29540      16.93150 
1 1 1 11 2  36  o 16.06113 7.570854 -9.079058      12.91871 -18.51901      14.76751 21.70000       26.66552 15.36092 7.460114 29.13322 12.49236 -13.77230      14.55034 
1 1 1 11 2  37  o 22.80730 9.222758 10.93188       13.34050 -2.226746      15.24076 54.05000       27.58871 19.02948 8.708224 38.65670 13.80006 -19.62723      16.31793 
1 1 1 11 3  -36 o 19.32574 8.679914 0.4217064      14.30658 10.87430       16.80014 -27.16000      27.29050 23.73329 10.03675 20.03910 9.820317 3.694189       14.04190 
1 1 1 11 3  -35 o 21.29344 9.773343 -2.136576      19.39029 -20.58000      27.91046 15.07000       26.95835 21.45491 10.38079 27.58315 12.17925 -6.128233      16.00296 
1 1 1 11 3  -34 o 25.08877 10.64023 10.46384       18.97111 1.373000       27.13989 19.15000       26.52894 25.31102 11.59696 29.33577 12.51676 -4.024755      17.06338 
1 1 1 11 3  -33 o 21.83459 9.913950 -1.890246      19.26603 30.24000       28.82606 -27.83000      25.90068 33.07653 13.48988 20.25948 9.848466 12.81705       16.70237 
1 1 1 11 3  -32 o 21.42951 9.710939 -1.933380      18.37494 0.4786000      26.47521 -4.175000      25.52311 25.21185 11.51466 23.94508 11.07026 1.266771       15.97304 
1 1 1 11 3  -31 o 55.24138 8.847089 73.19309       19.33683 35.22000       27.25147 111.7000       27.44235 35.28773 13.50507 66.70822 10.38440 -31.42049      17.03592 
1 1 1 11 3  -30 o 20.59117 9.388109 -5.184369      17.50171 -11.38000      24.48238 1.291000       25.02898 22.79465 10.64114 25.68163 11.51188 -2.886978      15.67664 
1 1 1 11 3  -29 o 55.48119 8.698026 71.06642       19.11118 60.94000       27.02251 81.20000       27.03206 47.70620 13.32397 56.62246 12.03062 -8.916252      17.95171 
1 1 1 11 3  -28 o 18.06826 8.595837 -17.80237      17.40256 1.180000       26.37404 -32.44000      23.15990 27.00860 11.98000 19.17787 9.320417 7.830730       15.17862 
1 1 1 11 3  -27 o 49.51034 10.27598 57.66551       20.14977 18.39000       31.57466 84.65000       26.17188 33.49909 13.93520 59.64284 11.12562 -26.14375      17.83169 
1 1 1 11 3  -26 o 92.62020 6.248149 183.0489       23.55768 146.0000       38.08961 206.0000       29.97923 78.34544 12.27613 97.36994 7.578841 -19.02451      14.42714 
1 1 1 11 3  -25 f 45.65770 11.40235 49.04476       21.25213 29.04000       37.60793 58.43000       25.75939 38.85710 15.56451 49.25713 12.69253 -10.40003      20.08368 
1 1 1 11 3  -24 o 72.04596 8.109813 112.5189       23.50952 102.4000       41.21275 117.4000       28.62347 64.04920 15.81092 72.67841 9.873243 -8.629204      18.64045 
1 1 1 11 3  -23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 3  -22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 3  -21 o 69.37758 8.899384 103.5292       24.70004 80.88000       43.50883 114.3000       30.00365 58.21283 17.11738 72.33380 10.43104 -14.12097      20.04523 
1 1 1 11 3  -20 f 102.7169 8.160856 222.9000       34.04237 0.000000       0.000000 222.9000       34.04237 ?        ?        102.7169 8.160856 ?              ?        
1 1 1 11 3  -19 o 93.05030 9.064942 183.7000       34.10144 0.000000       0.000000 183.7000       34.10144 ?        ?        93.05030 9.064942 ?              ?        
1 1 1 11 3  -18 o 147.7836 6.946278 454.3000       41.91657 0.000000       0.000000 454.3000       41.91657 ?        ?        147.7836 6.946278 ?              ?        
1 1 1 11 3  -17 o 92.93862 7.686565 180.6116       28.99048 192.3000       51.53340 175.2000       35.06523 93.85186 13.82334 91.01234 9.551323 2.839516       16.80216 
1 1 1 11 3  -16 o 25.90506 12.12092 -29.82000      32.06594 0.000000       0.000000 -29.82000      32.06594 ?        ?        25.90506 12.12092 ?              ?        
1 1 1 11 3  -15 o 49.89383 13.28797 54.48005       27.63070 25.66000       50.49165 66.80000       33.01237 45.15667 18.05258 55.06189 14.45949 -9.905224      23.12948 
1 1 1 11 3  -14 o 40.54000 13.79218 32.39858       27.37528 28.21000       49.35309 34.26000       32.90052 45.59738 17.96973 42.63179 15.08530 2.965591       23.46225 
1 1 1 11 3  -13 o 205.5750 5.066943 868.4284       42.65212 778.1000       65.39523 935.3000       56.26712 193.8307 8.258393 213.0027 6.458730 -19.17206      10.48410 
1 1 1 11 3  -12 o 54.25099 12.43856 63.81849       27.04054 38.01000       48.24431 75.64000       32.65135 48.06575 18.06670 58.93385 13.77844 -10.86810      22.72116 
1 1 1 11 3  -11 o 94.56503 7.300332 185.2919       28.04946 133.4000       48.11877 212.0000       34.52119 78.34565 15.54830 101.0019 8.423659 -22.65620      17.68354 
1 1 1 11 3  -10 f 186.0897 5.031968 711.4199       38.30768 617.6000       59.07440 779.5000       50.32243 172.8391 8.371946 194.6078 6.323449 -21.76862      10.49169 
1 1 1 11 3  -9  o 355.6523 5.450676 2597.387       79.37804 2447.000       111.4879 2752.000       113.0433 344.6401 7.900186 365.5861 7.551457 -20.94595      10.92874 
1 1 1 11 3  -8  o 80.56083 8.112062 135.0204       26.39564 175.0000       48.50519 118.2000       31.46205 90.75489 13.45977 74.88063 10.55341 15.87426       17.10380 
1 1 1 11 3  -7  o 122.2119 5.815609 307.4025       29.01918 280.4000       49.43418 321.6000       35.84528 115.9929 10.52248 124.8591 7.039633 -8.866241      12.66013 
1 1 1 11 3  -6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 3  -5  o 233.8035 4.703260 1121.206       45.02715 1116.000       69.34863 1125.000       59.20390 232.8528 7.282260 233.9631 6.185286 -1.110291      9.554532 
1 1 1 11 3  -4  o 206.5865 4.672231 875.2910       39.52306 917.1000       62.95969 848.1000       50.77386 211.0752 7.295487 203.1361 6.111148 7.939148       9.516841 
1 1 1 11 3  -3  o 144.5038 5.214155 428.9803       30.80172 352.4000       49.93948 476.0000       39.13143 130.4119 9.415344 152.1127 6.296159 -21.70082      11.32653 
1 1 1 11 3  -2  o 115.9667 5.755204 276.7132       27.24327 277.5000       46.42905 276.3000       33.64397 115.5705 9.906583 115.7253 7.134623 -0.1548157     12.20833 
1 1 1 11 3  -1  o 243.7165 4.653730 1218.096       46.44196 1254.000       71.58389 1192.000       61.02924 246.9130 7.087557 240.8596 6.193127 6.053406       9.412135 
1 1 1 11 3  0   o 279.7856 4.828295 1605.512       55.31507 1517.000       80.15324 1686.000       76.43389 271.5736 7.214295 286.5051 6.515221 -14.93152      9.720811 
1 1 1 11 3  1   o 56.94676 10.47762 69.02257       23.53183 44.07000       46.07149 77.83000       27.37154 49.59879 17.81835 60.37720 11.49105 -10.77842      21.20231 
1 1 1 11 3  2   o 280.1415 6.499823 1612.000       74.55958 0.000000       0.000000 1612.000       74.55958 ?        ?        280.1415 6.499823 ?              ?        
1 1 1 11 3  3   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 3  4   o 238.0884 4.203998 1162.202       40.98501 1199.000       57.06607 1123.000       58.90056 241.6785 5.766541 233.7699 6.158639 7.908600       8.436933 
1 1 1 11 3  5   o 328.9157 4.087798 2217.990       55.05521 2215.913       67.83820 2222.000       94.23061 328.6443 5.041083 328.7776 6.999475 -0.1333313     8.625843 
1 1 1 11 3  6   o 248.1108 4.321364 1262.345       43.90266 1303.000       60.78215 1218.000       63.48124 251.9019 5.892779 243.4033 6.374829 8.498642       8.681203 
1 1 1 11 3  7   o 238.5587 4.423659 1167.202       43.21170 1167.202       43.21170 0.000000       0.000000 238.5587 4.423659 ?        ?        ?              ?        
1 1 1 11 3  8   o 325.6427 4.984396 2176.149       66.46275 2176.149       66.46275 0.000000       0.000000 325.6427 4.984396 ?        ?        ?              ?        
1 1 1 11 3  9   o 136.2042 4.309313 380.9034       24.00360 349.7000       30.64964 430.4000       38.60221 130.3504 5.756531 144.5350 6.539451 -14.18451      8.712179 
1 1 1 11 3  10  f 194.1472 3.487374 772.7162       27.72388 764.6257       34.52684 787.4000       46.51462 193.0570 4.367641 195.6725 5.811883 -2.615540      7.270094 
1 1 1 11 3  11  o 120.2857 3.920516 297.0671       19.28418 310.5567       24.52118 275.2000       31.22034 122.8950 4.882563 115.4568 6.631698 7.438255       8.235219 
1 1 1 11 3  12  o 208.2207 3.516839 889.0477       29.98478 858.2334       37.10995 947.0000       50.89200 204.4860 4.432026 214.5333 5.798675 -10.04730      7.298459 
1 1 1 11 3  13  o 134.1031 3.814172 369.2563       20.92292 374.3860       26.96847 361.5000       33.16133 134.9075 4.890068 132.3820 6.134240 2.525452       7.844849 
1 1 1 11 3  14  o 85.26982 5.029607 149.9868       17.48319 162.6502       22.98446 132.6000       26.93204 88.61446 6.377045 79.59881 8.389013 9.015648       10.53766 
1 1 1 11 3  15  o 156.2963 3.635153 501.3677       23.26461 509.2341       30.00002 489.5000       36.84814 157.3253 4.662060 154.0264 5.853114 3.298904       7.482897 
1 1 1 11 3  16  o 92.34033 4.715601 175.8603       17.77102 165.0312       23.33935 190.8000       27.41341 89.15807 6.436308 95.77611 7.039243 -6.618034      9.538187 
1 1 1 11 3  17  o 138.1431 3.676630 392.3002       20.77866 390.9340       26.95767 394.3000       32.61488 137.7081 4.788061 138.0844 5.781075 -0.3763123     7.506421 
1 1 1 11 3  18  o 62.05540 6.094549 80.42218       15.28667 85.43048       20.68092 74.39000       22.69665 63.50764 8.139688 58.75530 9.777334 4.752335       12.72206 
1 1 1 11 3  19  o 99.76229 3.802204 205.0416       15.50353 189.7769       19.33857 232.5000       25.93688 95.76140 4.948631 105.7625 6.013885 -10.00112      7.788181 
1 1 1 11 3  20  f 20.26628 8.674011 0.1768981E-01  12.81181 -7.364428      18.72686 6.513000       17.56606 22.17530 9.947540 25.90355 10.54328 -3.728251      14.49532 
1 1 1 11 3  21  o 78.52444 7.998711 131.1000       25.36004 131.1000       25.36004 0.000000       0.000000 78.52444 7.998711 ?        ?        ?              ?        
1 1 1 11 3  22  o 66.05643 5.168465 91.12431       13.86858 101.8859       19.92952 81.02000       19.31134 69.28504 7.126282 61.46653 7.851748 7.818512       10.60348 
1 1 1 11 3  23  o 88.45166 4.153110 162.2372       14.99994 148.4736       21.21338 176.0000       21.21284 83.94512 6.215584 91.63860 5.681159 -7.693474      8.420752 
1 1 1 11 3  24  o 127.1893 3.548737 334.4854       18.46393 307.6717       25.19343 365.6000       27.13883 121.3546 5.081225 132.3363 5.017356 -10.98169      7.140918 
1 1 1 11 3  25  f 44.97657 6.889446 43.93882       12.28456 37.40492       18.95579 48.67000       16.13023 39.99810 11.15511 46.62629 8.770428 -6.628185      14.19003 
1 1 1 11 3  26  o 59.25450 5.346423 74.43344       12.83267 66.97670       19.18587 80.47000       17.26242 54.58772 8.889032 60.88631 7.054393 -6.298588      11.34810 
1 1 1 11 3  27  o 47.25079 6.381494 48.53923       12.03150 38.52432       17.60818 57.31000       16.47821 40.17670 10.56481 50.49403 8.254720 -10.31733      13.40730 
1 1 1 11 3  28  o 29.44921 10.69941 18.79177       16.67010 18.79177       16.67010 0.000000       0.000000 29.44921 10.69941 ?        ?        ?              ?        
1 1 1 11 3  29  o 46.26543 9.236690 50.47894       16.88520 50.47894       16.88520 0.000000       0.000000 46.26543 9.236690 ?        ?        ?              ?        
1 1 1 11 3  30  o 35.59193 10.46700 31.89472       16.26767 31.89472       16.26767 0.000000       0.000000 35.59193 10.46700 ?        ?        ?              ?        
1 1 1 11 3  31  o 20.11361 9.320694 -7.796000      18.25110 -7.796000      18.25110 0.000000       0.000000 20.11361 9.320694 ?        ?        ?              ?        
1 1 1 11 3  32  o 19.76656 8.843144 -0.9452570     14.69169 -11.72000      18.74600 16.21000       23.65396 19.38515 9.132236 28.34696 11.94447 -8.961817      15.03556 
1 1 1 11 3  33  o 31.84694 12.88735 26.66000       26.06911 0.000000       0.000000 26.66000       26.06911 ?        ?        31.84694 12.88735 ?              ?        
1 1 1 11 3  34  o 26.27283 11.78903 7.004000       26.32290 0.000000       0.000000 7.004000       26.32290 ?        ?        26.27283 11.78903 ?              ?        
1 1 1 11 3  35  o 21.56562 9.101879 6.847516       13.77125 9.523141       16.15273 -0.2729000     26.35033 23.43911 9.873135 24.16049 11.19722 -0.7213821     14.92838 
1 1 1 11 3  36  o 45.67324 8.239244 52.10882       14.84216 32.73446       17.11388 110.9000       29.81200 33.42924 10.89337 60.73328 12.40751 -27.30404      16.51096 
1 1 1 11 4  -35 o 33.20992 10.24319 31.10571       15.31277 41.35826       18.05203 4.802000       28.91471 37.58457 11.01885 25.19925 11.69615 12.38532       16.06907 
1 1 1 11 4  -34 o 24.30022 9.766834 12.69207       14.86162 11.93816       17.40626 14.72000       28.54786 24.64474 10.30640 27.71919 12.36910 -3.074455      16.10020 
1 1 1 11 4  -33 o 51.12777 11.44245 71.41000       23.35627 71.41000       23.35627 0.000000       0.000000 51.12777 11.44245 ?        ?        ?              ?        
1 1 1 11 4  -32 o 21.97212 9.276098 6.140356       14.31013 7.028911       16.69089 3.675000       27.80208 23.30792 9.936026 26.21955 11.90669 -2.911631      15.50786 
1 1 1 11 4  -31 o 16.16954 7.642506 -10.97332      13.32815 -14.31800      15.43864 -1.187000      26.40838 16.88158 8.049512 24.83562 11.40157 -7.954039      13.95673 
1 1 1 11 4  -30 o 20.57938 8.779250 3.817035       13.04752 -0.3107997     15.01277 16.56000       26.37757 20.24625 9.006163 29.26934 12.48448 -9.023092      15.39394 
1 1 1 11 4  -29 o 62.81211 5.418629 85.53397       13.80049 91.30044       15.86157 67.57000       27.99575 64.45316 6.081957 48.92169 13.52376 15.53147       14.82843 
1 1 1 11 4  -28 o 40.99132 7.866711 38.56768       12.72407 46.88892       14.58250 12.02000       26.04661 45.10184 8.197995 29.17049 12.42295 15.93135       14.88411 
1 1 1 11 4  -27 o 43.34938 7.583815 42.33258       12.97153 40.42627       15.04297 47.86000       25.61516 41.56235 9.092586 42.76958 13.25786 -1.207230      16.07626 
1 1 1 11 4  -26 o 50.63674 7.060609 56.44323       14.24214 58.55000       17.46403 52.26000       24.60892 50.70631 8.725876 45.47258 12.72045 5.233734       15.42565 
1 1 1 11 4  -25 o 24.89577 9.191772 11.77749       12.37978 5.969000       14.70086 25.94000       22.95521 23.29317 9.581732 34.31896 12.54224 -11.02580      15.78345 
1 1 1 11 4  -24 o 53.87947 5.967862 62.01151       12.94589 70.92240       15.34317 39.99000       24.12004 57.38540 6.652760 40.84077 12.89573 16.54463       14.51065 
1 1 1 11 4  -23 o 39.20971 12.68219 35.63000       23.22027 0.000000       0.000000 35.63000       23.22027 ?        ?        39.20971 12.68219 ?              ?        
1 1 1 11 4  -22 o 31.13939 12.27295 15.30000       23.02305 0.000000       0.000000 15.30000       23.02305 ?        ?        31.13939 12.27295 ?              ?        
1 1 1 11 4  -21 o 31.26923 12.57632 13.20000       24.65917 0.000000       0.000000 13.20000       24.65917 ?        ?        31.26923 12.57632 ?              ?        
1 1 1 11 4  -20 o 54.19619 10.54698 65.36349       22.56317 89.09000       46.50779 58.06000       25.80323 60.32124 17.68670 50.34259 12.55934 9.978653       21.69231 
1 1 1 11 4  -19 o 88.68405 7.307123 165.8047       26.29962 164.5000       50.13393 166.3000       30.89142 84.64578 15.01421 88.31279 8.653558 -3.667007      17.32947 
1 1 1 11 4  -18 o 115.7351 11.24935 289.9000       52.63922 289.9000       52.63922 0.000000       0.000000 115.7351 11.24935 ?        ?        ?              ?        
1 1 1 11 4  -17 o 50.64872 18.37779 52.73000       49.16038 52.73000       49.16038 0.000000       0.000000 50.64872 18.37779 ?        ?        ?              ?        
1 1 1 11 4  -16 o 31.91081 13.39306 5.650000       29.55471 0.000000       0.000000 5.650000       29.55471 ?        ?        31.91081 13.39306 ?              ?        
1 1 1 11 4  -15 o 46.44836 12.96482 47.47232       25.59366 58.28000       51.84592 43.99000       29.42945 53.30001 18.92947 45.23490 14.23939 8.065117       23.68724 
1 1 1 11 4  -14 o 59.89824 10.97755 77.65521       25.93236 72.35000       50.64947 79.54000       30.18946 57.54383 18.73948 60.19588 12.65051 -2.652054      22.60981 
1 1 1 11 4  -13 o 174.0177 5.228686 623.9591       37.21495 529.0000       61.01928 680.2000       46.95967 159.0636 9.410595 181.4322 6.330709 -22.36859      11.34183 
1 1 1 11 4  -12 o 148.6653 5.528801 455.5667       33.59757 496.1000       59.40090 436.5000       40.74038 154.1700 9.455026 145.2491 6.869414 8.920929       11.68702 
1 1 1 11 4  -11 o 216.6331 4.966838 964.6157       44.05846 887.3000       68.93822 1018.000       57.28400 206.9273 8.152081 222.1932 6.302564 -15.26584      10.30431 
1 1 1 11 4  -10 o 269.0701 4.990631 1487.640       54.98513 1498.000       84.40009 1480.000       72.47624 269.2394 7.663407 268.0147 6.604084 1.224701       10.11641 
1 1 1 11 4  -9  o 135.9546 5.640334 380.6754       31.33133 382.2000       53.96196 379.9000       38.48227 135.4273 9.797225 135.6081 6.953494 -0.1808167     12.01402 
1 1 1 11 4  -8  o 122.9059 4.021441 310.2185       20.21128 317.0296       24.39249 295.3000       36.10050 124.1687 4.806628 119.4674 7.416279 4.701279       8.837696 
1 1 1 11 4  -7  o 514.8185 5.584245 5445.983       117.7180 5431.119       143.9437 5476.000       204.5513 513.6493 6.843868 514.3553 9.712132 -0.7059937     11.88125 
1 1 1 11 4  -6  o 140.1377 3.801872 403.0073       21.79594 401.5929       26.59623 405.9000       38.03420 139.8108 4.652220 140.3084 6.638954 -0.4976654     8.106718 
1 1 1 11 4  -5  o 160.3465 3.617633 527.1270       23.75244 535.7999       29.23976 510.3000       40.72828 161.5445 4.424522 157.4160 6.331546 4.128540       7.724304 
1 1 1 11 4  -4  o 235.6953 3.631880 1138.899       35.05151 1136.218       43.29553 1144.000       59.71303 235.3330 4.492993 235.8381 6.188795 -0.5051117     7.647756 
1 1 1 11 4  -3  o 183.7859 4.732037 693.5540       35.58141 625.3000       54.42599 744.5000       47.02158 174.0852 7.653904 190.2494 6.043670 -16.16428      9.752343 
1 1 1 11 4  -2  o 303.1003 3.922250 1883.755       48.67949 1906.928       60.44885 1841.000       82.10862 304.8380 4.842779 299.2068 6.701823 5.631195       8.268430 
1 1 1 11 4  -1  o 261.7495 3.720053 1404.597       39.87121 1441.653       50.01657 1340.000       66.03729 265.0845 4.607923 255.3363 6.316149 9.748215       7.818356 
1 1 1 11 4  0   o 121.8408 3.917363 304.6993       19.51849 314.1163       24.25605 287.4000       32.87595 123.6344 4.800455 118.0189 6.832236 5.615486       8.350079 
1 1 1 11 4  1   o 228.7673 3.573831 1072.809       33.47745 1103.556       42.11003 1020.000       55.18775 231.9446 4.433807 222.7252 6.056927 9.219421       7.506331 
1 1 1 11 4  2   o 77.64861 5.168436 124.3096       16.33947 116.4873       20.00197 140.0000       28.32832 74.98548 6.581029 81.96062 8.567345 -6.975136      10.80321 
1 1 1 11 4  3   o 203.4362 3.556284 848.4032       29.62436 844.4079       36.67844 855.9000       50.24281 202.8869 4.415018 204.0036 6.021255 -1.116745      7.466451 
1 1 1 11 4  4   o 72.75176 5.485967 109.3100       16.22219 136.2263       20.36671 62.60000       26.82986 81.17992 6.173288 53.81982 12.42583 27.36010       13.87483 
1 1 1 11 4  5   o 269.0209 4.394259 1484.754       48.40565 1432.000       65.79462 1547.000       71.46872 263.9507 6.087558 274.2950 6.363173 -10.34427      8.806153 
1 1 1 11 4  6   o 178.4880 3.521306 653.1381       25.73578 658.7725       32.10040 643.0000       43.05878 179.1899 4.374944 176.7740 5.957167 2.415833       7.391074 
1 1 1 11 4  7   o 159.3597 3.651218 520.7448       23.82543 510.6349       29.81718 538.6000       39.62556 157.6643 4.623578 161.7470 5.993305 -4.082748      7.569490 
1 1 1 11 4  8   o 136.6598 4.300631 383.6129       24.03568 392.6000       33.03194 373.5000       35.04004 138.0625 5.856276 134.5805 6.376686 3.481995       8.657834 
1 1 1 11 4  9   o 215.6233 4.144843 954.0669       36.59554 906.4000       50.01322 1009.000       53.69000 209.8545 5.825893 221.4018 5.927598 -11.54726      8.311285 
1 1 1 11 4  10  o 127.1054 4.485731 332.1457       23.30990 347.8000       32.91729 316.4000       33.01327 129.8270 6.210061 123.7604 6.537713 6.066589       9.017015 
1 1 1 11 4  11  o 196.4813 3.553423 791.9777       28.58857 772.6298       35.73084 826.4000       47.65918 193.9486 4.499168 200.2839 5.817502 -6.335342      7.354308 
1 1 1 11 4  12  o 113.5221 4.237804 265.0543       19.66448 262.6641       25.16843 268.8000       31.50672 112.8384 5.463453 113.9211 6.784950 -1.082626      8.711192 
1 1 1 11 4  13  o 59.81682 9.205025 76.14081       21.82437 76.14081       21.82437 0.000000       0.000000 59.81682 9.205025 ?        ?        ?              ?        
1 1 1 11 4  14  o 167.9391 4.644746 580.7130       31.90956 580.7130       31.90956 0.000000       0.000000 167.9391 4.644746 ?        ?        ?              ?        
1 1 1 11 4  15  o 43.52487 11.43980 41.53263       20.65197 41.53263       20.65197 0.000000       0.000000 43.52487 11.43980 ?        ?        ?              ?        
1 1 1 11 4  16  o 46.41288 8.010708 46.13955       14.67414 27.17492       20.60411 65.66000       20.90387 36.29011 11.95998 55.15459 9.604737 -18.86448      15.33923 
1 1 1 11 4  17  o 170.7397 3.454618 599.2360       24.15232 597.8666       31.46511 601.2000       37.68262 170.2451 4.517667 170.4447 5.406082 -0.1996307     7.045213 
1 1 1 11 4  18  o 50.18390 7.068335 53.51963       14.12278 46.70917       19.87187 60.47000       20.07494 45.88335 10.76383 52.65741 9.666560 -6.774052      14.46729 
1 1 1 11 4  19  o 67.98196 5.305186 96.34097       14.65104 77.24442       20.78484 115.2000       20.65517 59.87176 8.735369 73.94576 6.901381 -14.07400      11.13264 
1 1 1 11 4  20  o 27.27520 9.483459 14.60079       12.96486 1.887763       19.68501 24.34000       17.22952 25.33044 10.79410 33.73353 10.92548 -8.403090      15.35835 
1 1 1 11 4  21  o 48.82772 6.877789 51.05574       13.37065 46.10396       20.29992 54.85000       17.76960 45.02011 11.08654 49.91466 9.026275 -4.894547      14.29632 
1 1 1 11 4  22  o 34.24593 8.816360 26.20626       12.43624 30.90134       19.52271 23.00000       16.13312 37.02248 11.58969 32.51622 10.57527 4.506252       15.68940 
1 1 1 11 4  23  o 45.32046 7.150294 44.66682       12.82971 44.94139       19.85483 44.47000       16.81066 43.97289 11.04359 44.30516 9.548082 -0.3322792     14.59886 
1 1 1 11 4  24  o 102.1990 3.966841 217.1879       16.56877 190.6779       23.17625 244.9000       23.69594 94.80567 6.000932 107.8444 5.383032 -13.03875      8.061527 
1 1 1 11 4  25  o 67.74934 7.697997 100.7415       20.97717 100.7415       20.97717 0.000000       0.000000 67.74934 7.697997 ?        ?        ?              ?        
1 1 1 11 4  26  o 44.64582 12.92948 50.64000       24.99088 50.64000       24.99088 0.000000       0.000000 44.64582 12.92948 ?        ?        ?              ?        
1 1 1 11 4  27  o 36.27394 12.43784 32.54000       22.27150 32.54000       22.27150 0.000000       0.000000 36.27394 12.43784 ?        ?        ?              ?        
1 1 1 11 4  28  o 38.86401 10.47416 37.34617       17.04274 37.34617       17.04274 0.000000       0.000000 38.86401 10.47416 ?        ?        ?              ?        
1 1 1 11 4  29  o 47.79357 8.964629 54.53163       16.89961 54.53163       16.89961 0.000000       0.000000 47.79357 8.964629 ?        ?        ?              ?        
1 1 1 11 4  30  o 23.01896 9.759601 6.569564       15.95306 6.569564       15.95306 0.000000       0.000000 23.01896 9.759601 ?        ?        ?              ?        
1 1 1 11 4  31  o 19.25245 8.833590 -5.067652      15.82252 -5.067652      15.82252 0.000000       0.000000 19.25245 8.833590 ?        ?        ?              ?        
1 1 1 11 4  32  o 19.69171 8.962546 -3.427827      15.86400 -3.427827      15.86400 0.000000       0.000000 19.69171 8.962546 ?        ?        ?              ?        
1 1 1 11 4  33  o 31.91192 10.72509 27.35441       16.55196 27.35441       16.55196 0.000000       0.000000 31.91192 10.72509 ?        ?        ?              ?        
1 1 1 11 4  34  o 44.88125 10.00614 53.49582       17.91960 53.49582       17.91960 0.000000       0.000000 44.88125 10.00614 ?        ?        ?              ?        
1 1 1 11 4  35  o 26.52288 9.877255 18.41513       14.35154 19.07281       16.99442 16.78000       26.79629 26.93067 10.56549 27.29314 12.09247 -0.3624706     16.05794 
1 1 1 11 5  -34 o 49.19798 8.252166 60.45358       16.03607 52.03046       18.75740 83.33000       30.91224 42.79504 10.72633 48.17670 14.49341 -5.381664      18.03089 
1 1 1 11 5  -33 o 22.66222 10.42351 -0.3379000     22.21653 -0.3379000     22.21653 0.000000       0.000000 22.66222 10.42351 ?        ?        ?              ?        
1 1 1 11 5  -32 o 20.45230 9.053421 1.468740       14.98699 -2.268715      17.49125 11.79000       29.06693 20.64040 9.400798 27.75477 12.42614 -7.114363      15.58152 
1 1 1 11 5  -31 o 23.59083 9.593060 10.00677       14.52648 5.307507       17.07108 22.34000       27.65570 22.85916 9.899866 30.62432 12.91035 -7.765162      16.26913 
1 1 1 11 5  -30 o 26.74090 10.50810 15.80660       16.83376 15.33000       21.15176 16.63000       27.80207 27.50996 11.42145 29.24374 12.64942 -1.733776      17.04281 
1 1 1 11 5  -29 o 40.01864 10.12079 41.17305       16.59256 60.24000       20.77309 7.568000       27.57800 48.02034 10.82427 27.18591 12.14238 20.83443       16.26660 
1 1 1 11 5  -28 o 71.24204 5.245585 109.7947       15.19493 101.9305       17.89714 130.1000       28.75812 67.64169 6.543277 72.98435 9.876107 -5.342667      11.84702 
1 1 1 11 5  -27 o 72.16349 5.112628 111.6843       15.00946 108.9602       17.83398 118.3000       27.79179 70.50210 6.242062 70.14857 9.954723 0.3535309      11.74989 
1 1 1 11 5  -26 o 28.02150 11.21852 14.17298       19.52775 2.183000       31.35555 21.77000       24.95899 28.73020 12.88116 32.11423 12.74025 -3.384035      18.11735 
1 1 1 11 5  -25 o 36.38586 11.60670 32.36238       19.49648 47.20000       31.69432 23.33000       24.72864 42.09689 14.81408 33.02987 12.80576 9.067013       19.58174 
1 1 1 11 5  -24 o 44.96176 11.22252 48.87763       20.59512 46.64000       37.69268 49.83000       24.59039 42.53338 15.97305 44.53395 12.80375 -2.000568      20.47131 
1 1 1 11 5  -23 o 74.95258 7.510322 122.4539       22.73974 116.6000       43.18323 124.7000       26.74883 66.41622 16.05736 74.74529 8.915246 -8.329063      18.36629 
1 1 1 11 5  -22 o 41.01307 8.295951 37.62735       13.45281 45.12107       16.18213 20.86000       24.20578 44.64581 9.159216 33.04759 12.70762 11.59822       15.66444 
1 1 1 11 5  -21 o 64.94746 5.358416 88.83219       14.12360 90.36754       16.88821 85.26000       25.76013 65.12429 6.416349 61.23154 10.66135 3.892750       12.44323 
1 1 1 11 5  -20 o 30.56442 9.323687 20.47785       12.73107 24.35793       14.89518 9.959000       24.52505 33.13911 10.08025 29.96961 12.35692 3.169493       15.94694 
1 1 1 11 5  -19 o 85.14461 4.520559 150.6140       15.70415 145.7848       18.69268 162.2000       28.95331 83.47384 5.499497 86.95278 8.229808 -3.478943      9.898192 
1 1 1 11 5  -18 o 87.04435 4.817509 157.4371       17.10371 179.5000       21.39795 118.4000       28.46294 92.70763 5.663824 73.76492 9.654877 18.94270       11.19355 
1 1 1 11 5  -17 o 93.27847 4.668853 180.3349       17.77597 181.5000       21.92506 178.1000       30.36663 93.28309 5.768237 91.55594 8.186296 1.727150       10.01439 
1 1 1 11 5  -16 o 142.7518 5.152157 422.2000       30.06646 422.2000       30.06646 0.000000       0.000000 142.7518 5.152157 ?        ?        ?              ?        
1 1 1 11 5  -15 o 195.6364 3.583285 787.1972       28.70485 796.3776       35.55033 770.0000       48.65673 196.5405 4.417406 192.5257 6.180060 4.014740       7.596487 
1 1 1 11 5  -14 o 51.47392 7.145461 56.12641       14.65500 44.64992       17.36774 84.50000       27.30838 45.21655 9.672944 62.18557 11.13347 -16.96902      14.74856 
1 1 1 11 5  -13 o 140.0466 4.632850 404.4326       26.53060 404.4326       26.53060 0.000000       0.000000 140.0466 4.632850 ?        ?        ?              ?        
1 1 1 11 5  -12 o 40.31683 11.29565 35.37000       19.38889 35.37000       19.38889 0.000000       0.000000 40.31683 11.29565 ?        ?        ?              ?        
1 1 1 11 5  -11 o 69.79346 6.745587 101.6954       19.03788 101.6954       19.03788 0.000000       0.000000 69.79346 6.745587 ?        ?        ?              ?        
1 1 1 11 5  -10 o 78.75642 5.214077 128.2728       16.71998 135.2342       20.09301 112.6000       30.14880 80.72480 6.124442 72.63689 10.43574 8.087914       12.10014 
1 1 1 11 5  -9  o 196.3985 3.595401 791.7065       28.91412 808.5165       36.03078 761.3000       48.45884 198.3424 4.436432 192.0242 6.171021 6.318192       7.600225 
1 1 1 11 5  -8  o 114.2763 4.189805 268.5580       19.57215 286.3542       24.11404 234.2000       33.50568 117.8972 5.006472 106.1118 7.765108 11.78538       9.239138 
1 1 1 11 5  -7  o 174.0091 3.658572 621.3113       26.06802 605.8233       31.95903 652.1000       45.06005 171.6622 4.550695 177.7917 6.198987 -6.129501      7.690011 
1 1 1 11 5  -6  o 172.4333 4.108380 610.3535       29.00789 623.1000       38.80000 594.2000       43.67868 173.9659 5.453557 169.7208 6.295983 4.245178       8.329507 
1 1 1 11 5  -5  o 141.9628 3.846059 413.8252       22.33647 408.3876       27.48573 424.4000       38.32994 140.9151 4.770370 143.3721 6.546309 -2.457031      8.100037 
1 1 1 11 5  -4  o 137.9523 3.898668 390.7903       22.00056 387.6925       27.16132 396.7000       37.51572 137.2937 4.838999 138.6059 6.629306 -1.312164      8.207533 
1 1 1 11 5  -3  o 87.22922 5.036401 156.8442       17.91250 154.3296       21.99247 161.8000       30.87369 86.36449 6.261432 88.02744 8.678113 -1.662941      10.70118 
1 1 1 11 5  -2  f 94.59248 4.745418 184.2097       18.32172 185.1842       22.51638 182.3000       31.51982 94.70985 5.834347 93.56625 8.313432 1.143593       10.15641 
1 1 1 11 5  -1  o 123.8590 4.065228 315.1169       20.58961 313.4483       25.28626 318.4000       35.46882 123.4252 5.013733 124.1063 7.008043 -0.6810913     8.616855 
1 1 1 11 5  0   o 173.9838 3.622948 620.8256       25.81044 621.3391       32.18304 619.9000       43.20904 173.9129 4.523138 173.4728 6.092473 0.4400787      7.587951 
1 1 1 11 5  1   o 91.97527 5.343480 174.4351       20.03759 163.2000       26.47523 189.5000       30.65744 88.66360 7.358618 95.48995 7.911631 -6.826347      10.80478 
1 1 1 11 5  2   f 279.9316 4.532530 1608.819       51.95377 1572.000       71.50164 1650.000       75.61854 276.3478 6.318815 283.0704 6.523931 -6.722656      9.082351 
1 1 1 11 5  3   o 111.7670 4.370769 256.8186       19.96447 270.0382       25.43431 235.6000       32.22319 114.4838 5.441219 106.6141 7.427692 7.869652       9.207469 
1 1 1 11 5  4   o 176.9994 3.628135 642.6270       26.29540 626.1170       32.86480 672.0000       43.83620 174.5506 4.602188 180.6178 5.935237 -6.067261      7.510470 
1 1 1 11 5  5   o 48.37316 8.637631 49.85550       16.48114 45.95271       21.21940 55.79000       26.16598 46.04111 11.33297 50.62627 12.65715 -4.585159      16.98940 
1 1 1 11 5  6   o 98.78039 4.681858 200.9023       18.88320 203.2399       24.52692 197.5000       29.58968 99.16640 6.069308 97.51482 7.467267 1.651573       9.622712 
1 1 1 11 5  7   o 131.1357 3.928441 353.2982       21.07054 373.1574       27.50713 325.1000       32.77742 134.6322 4.998347 125.4227 6.403448 9.209511       8.123277 
1 1 1 11 5  8   o 100.5785 4.493239 208.2650       18.45828 234.0783       24.47213 174.2000       28.11280 106.4796 5.632856 91.47301 7.573440 15.00659       9.438540 
1 1 1 11 5  9   o 119.7262 4.021578 294.7302       19.68763 330.4956       26.28203 249.0000       29.71863 126.6349 5.078822 109.6131 6.652602 17.02179       8.369680 
1 1 1 11 5  10  o 109.5998 4.147700 247.1815       18.58049 267.0642       24.96688 222.5000       27.81715 113.7375 5.376097 103.5658 6.593761 10.17175       8.507650 
1 1 1 11 5  11  o 151.1248 3.653586 469.0492       22.60890 457.9814       29.54050 484.7000       35.12821 149.0780 4.845708 153.2022 5.609192 -4.124268      7.412417 
1 1 1 11 5  12  o 198.0101 3.477929 805.2230       28.19892 797.9620       35.85306 817.0000       45.66088 196.9220 4.446392 198.8823 5.612524 -1.960358      7.160365 
1 1 1 11 5  13  o 187.4186 3.464005 721.6038       26.58372 727.6682       34.23944 712.4000       42.18080 187.9973 4.447855 185.6434 5.555199 2.353882       7.116435 
1 1 1 11 5  14  o 49.98572 8.248028 53.54945       16.29358 39.11000       25.93899 62.96000       20.94042 42.51398 13.36632 53.85070 9.859868 -11.33672      16.60950 
1 1 1 11 5  15  o 192.0396 4.077958 759.5415       32.06697 720.4000       47.01112 793.6000       43.85254 186.2181 6.173835 195.7598 5.476131 -9.541626      8.252530 
1 1 1 11 5  16  o 150.3214 4.076299 466.0616       25.06746 452.0000       38.61859 476.3000       32.95314 147.2342 6.421093 151.5754 5.317616 -4.341232      8.337114 
1 1 1 11 5  17  o 111.4081 4.000293 256.2798       18.21911 253.4390       26.30235 258.9000       25.26064 110.2608 5.846611 111.5442 5.548021 -1.283424      8.059987 
1 1 1 11 5  18  o 103.1397 4.670382 220.6740       19.67317 199.9000       34.96132 230.3000       23.79859 96.47962 8.951779 105.0900 5.550194 -8.610352      10.53276 
1 1 1 11 5  19  o 36.92315 14.21094 24.69000       30.29118 24.69000       30.29118 0.000000       0.000000 36.92315 14.21094 ?        ?        ?              ?        
1 1 1 11 5  20  o 24.40435 11.58691 -31.39000      31.30634 -31.39000      31.30634 0.000000       0.000000 24.40435 11.58691 ?        ?        ?              ?        
1 1 1 11 5  21  o 55.37563 9.209332 68.30238       20.14883 68.30238       20.14883 0.000000       0.000000 55.37563 9.209332 ?        ?        ?              ?        
1 1 1 11 5  22  o 93.93735 4.120339 183.6907       15.81022 153.1688       21.98203 216.4000       22.75610 84.77972 6.378940 101.3325 5.505016 -16.55280      8.425917 
1 1 1 11 5  23  o 123.2791 5.029068 319.4653       25.33312 319.4653       25.33312 0.000000       0.000000 123.2791 5.029068 ?        ?        ?              ?        
1 1 1 11 5  24  o 56.05813 8.967355 71.41342       19.89045 71.41342       19.89045 0.000000       0.000000 56.05813 8.967355 ?        ?        ?              ?        
1 1 1 11 5  25  o 25.39277 10.42802 8.691917       17.37484 8.691917       17.37484 0.000000       0.000000 25.39277 10.42802 ?        ?        ?              ?        
1 1 1 11 5  26  o 88.41890 5.658074 167.9548       20.37761 167.9548       20.37761 0.000000       0.000000 88.41890 5.658074 ?        ?        ?              ?        
1 1 1 11 5  27  o 26.14260 10.37018 12.73655       16.53494 12.73655       16.53494 0.000000       0.000000 26.14260 10.37018 ?        ?        ?              ?        
1 1 1 11 5  28  o 35.78571 10.73126 33.07100       16.96703 33.07100       16.96703 0.000000       0.000000 35.78571 10.73126 ?        ?        ?              ?        
1 1 1 11 5  29  o 43.19426 9.856944 47.23767       17.04791 47.23767       17.04791 0.000000       0.000000 43.19426 9.856944 ?        ?        ?              ?        
1 1 1 11 5  30  o 24.86979 9.389023 13.59755       13.06135 13.59755       13.06135 0.000000       0.000000 24.86979 9.389023 ?        ?        ?              ?        
1 1 1 11 5  31  o 37.69116 10.64307 37.85062       17.14308 37.85062       17.14308 0.000000       0.000000 37.69116 10.64307 ?        ?        ?              ?        
1 1 1 11 5  32  o 34.21641 12.21259 34.26000       21.60551 34.26000       21.60551 0.000000       0.000000 34.21641 12.21259 ?        ?        ?              ?        
1 1 1 11 5  33  o 42.59594 10.35131 49.54567       17.87506 49.54567       17.87506 0.000000       0.000000 42.59594 10.35131 ?        ?        ?              ?        
1 1 1 11 5  34  o 27.92108 10.82251 21.49327       17.65909 21.49327       17.65909 0.000000       0.000000 27.92108 10.82251 ?        ?        ?              ?        
1 1 1 11 6  -33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 6  -32 o 25.19283 11.83626 0.7288000      31.11763 0.7288000      31.11763 0.000000       0.000000 25.19283 11.83626 ?        ?        ?              ?        
1 1 1 11 6  -31 o 18.32921 8.873772 -20.91238      20.47262 -14.85000      30.73058 -25.75000      27.45144 23.32350 11.18454 20.73795 10.09418 2.585552       15.06607 
1 1 1 11 6  -30 o 22.74062 10.29822 -0.1478244     20.62333 -14.18000      30.94873 11.06000       27.65928 23.95881 11.41649 27.61424 12.25745 -3.655432      16.75056 
1 1 1 11 6  -29 f 59.72140 9.097266 87.12791       21.54498 54.26000       32.05852 114.2000       29.09500 40.48714 14.81793 65.95236 11.17208 -25.46523      18.55765 
1 1 1 11 6  -28 o 69.04644 5.806298 105.3255       16.26397 99.21115       19.47893 119.4000       29.55350 65.56541 7.383711 67.66926 11.04654 -2.103844      13.28703 
1 1 1 11 6  -27 o 34.15267 9.834653 29.63995       14.49718 30.70849       17.43943 27.25000       26.08140 34.11174 10.98704 32.44889 12.97385 1.662846       17.00105 
1 1 1 11 6  -26 o 19.73447 8.631633 0.7084904      13.25059 8.927954       16.00651 -17.19000      23.62018 24.20275 9.981359 21.23397 10.07668 2.968773       14.18334 
1 1 1 11 6  -25 o 27.60270 9.596319 17.24625       13.27511 17.91849       16.17678 15.86000       23.23000 28.49360 10.50952 29.43088 12.06888 -0.9372768     16.00337 
1 1 1 11 6  -24 o 35.76588 9.247767 30.31920       13.64282 28.42190       16.74147 34.07000       23.53894 34.23162 10.73482 36.78918 12.77915 -2.557560      16.68961 
1 1 1 11 6  -23 o 23.34493 9.274582 8.359347       13.24498 4.665249       16.15993 15.92000       23.11878 23.34305 9.856277 30.09816 12.15179 -6.755106      15.64647 
1 1 1 11 6  -22 o 19.48268 8.511806 -0.6879925     12.85324 0.8003107      15.77097 -3.632000      22.18105 21.91606 9.503334 24.21721 10.84769 -2.301155      14.42171 
1 1 1 11 6  -21 o 22.07265 10.00474 -6.996459      19.51754 44.07000       38.93980 -24.13000      22.55534 42.54839 16.17744 20.38555 9.722838 22.16284       18.87440 
1 1 1 11 6  -20 o 54.97871 6.410531 64.89725       14.16109 50.67949       17.25124 94.27000       24.79574 47.33267 9.232605 64.70738 9.653193 -17.37471      13.35759 
1 1 1 11 6  -19 o 79.05663 4.778767 130.7185       15.39735 134.9032       19.12097 123.0000       25.96859 79.88638 5.886725 74.93342 8.620330 4.952965       10.43856 
1 1 1 11 6  -18 o 35.45872 9.015409 28.21616       13.11678 21.49750       15.88403 42.62000       23.25725 31.62144 10.50415 42.71063 12.50293 -11.08919      16.32975 
1 1 1 11 6  -17 o 102.3148 4.112898 216.9187       17.19591 219.9518       21.27283 211.2000       29.20989 102.7103 5.073797 99.73493 7.200990 2.975403       8.808954 
1 1 1 11 6  -16 o 71.54979 6.592937 108.1621       19.09869 108.1621       19.09869 0.000000       0.000000 71.54979 6.592937 ?        ?        ?              ?        
1 1 1 11 6  -15 o 106.4345 4.093963 234.1896       17.80903 233.7744       21.90104 235.0000       30.59754 106.0721 5.056985 105.6003 7.117729 0.4718399      8.731276 
1 1 1 11 6  -14 o 15.99186 7.572867 -15.05399      13.20387 -16.96752      15.95785 -10.90000      23.51195 17.79203 8.395192 24.25111 10.98767 -6.459074      13.82780 
1 1 1 11 6  -13 o 102.5171 4.239112 217.1001       17.75650 203.0657       21.83551 244.5000       30.50984 98.86299 5.414600 108.0241 6.934171 -9.161102      8.797762 
1 1 1 11 6  -12 o 91.18084 4.917853 172.2159       18.29336 158.1000       23.65932 193.2000       28.84643 86.91577 6.699488 95.91164 7.402315 -8.995872      9.983857 
1 1 1 11 6  -11 f 104.4383 4.634764 225.3644       19.77100 238.4000       25.97189 207.4000       30.48901 107.1124 5.944922 99.42829 7.545070 7.684151       9.605737 
1 1 1 11 6  -10 o 53.19184 7.776622 60.17890       16.43743 62.77000       20.96038 56.04000       26.49105 53.78493 9.881331 50.11521 12.84968 3.669720       16.20972 
1 1 1 11 6  -9  o 196.4177 3.643012 792.8600       29.29987 784.6254       36.76209 807.2000       48.51276 195.1764 4.599901 197.4586 6.007045 -2.282196      7.565956 
1 1 1 11 6  -8  o 171.1990 4.843542 604.2935       33.91969 551.7000       54.27507 638.0000       43.45015 162.5143 8.182459 175.5700 6.052942 -13.05571      10.17795 
1 1 1 11 6  -7  o 94.26576 5.868606 184.1916       22.54000 184.1916       22.54000 0.000000       0.000000 94.26576 5.868606 ?        ?        ?              ?        
1 1 1 11 6  -6  o 234.8035 4.545676 1134.317       43.70463 1134.317       43.70463 0.000000       0.000000 234.8035 4.545676 ?        ?        ?              ?        
1 1 1 11 6  -5  o 139.5375 4.859351 401.2495       27.72237 401.2495       27.72237 0.000000       0.000000 139.5375 4.859351 ?        ?        ?              ?        
1 1 1 11 6  -4  o 259.8871 3.769594 1387.078       40.11471 1425.873       50.53677 1321.000       65.95486 263.2753 4.687841 252.8210 6.376112 10.45433       7.913953 
1 1 1 11 6  -3  o 38.02480 10.16941 31.29551       16.14121 38.25883       20.88638 20.97000       25.43377 41.99663 11.70826 35.33591 13.15098 6.660721       17.60772 
1 1 1 11 6  -2  o 41.97007 9.557663 38.16054       16.05645 37.22153       20.69679 39.58000       25.44661 41.47581 11.68823 43.06524 13.19029 -1.589432      17.62380 
1 1 1 11 6  -1  o 112.5158 4.221132 260.4934       19.41316 272.9952       24.97265 241.4000       30.86180 115.0219 5.316624 107.8229 7.028447 7.199005       8.812806 
1 1 1 11 6  0   o 98.24331 4.600626 198.8800       18.45595 204.8014       23.62137 189.6000       29.57091 99.50899 5.822643 95.37826 7.635376 4.130730       9.602194 
1 1 1 11 6  1   o 50.33497 8.144426 53.85371       16.21325 38.87106       20.91964 76.39000       25.65672 42.32755 11.68631 59.48814 10.93572 -17.16059      16.00500 
1 1 1 11 6  2   o 121.1648 4.649528 302.3474       23.02518 298.9000       31.50489 306.3000       33.73435 120.1499 6.427073 121.5507 6.804995 -1.400764      9.360300 
1 1 1 11 6  3   o 255.5286 3.700401 1340.689       38.71799 1354.332       48.60487 1317.000       64.04704 256.6174 4.625613 252.6061 6.191998 4.011246       7.728981 
1 1 1 11 6  4   o 235.3162 3.629419 1136.940       34.97142 1125.250       43.61064 1158.000       58.53382 233.9121 4.553186 236.8137 6.041301 -2.901596      7.564973 
1 1 1 11 6  5   o 76.38470 5.486478 120.8774       17.04598 119.4501       22.26253 122.9000       26.50095 75.59244 7.282389 76.37675 8.624424 -0.7843170     11.28778 
1 1 1 11 6  6   o 77.08381 5.436667 123.1025       17.05005 105.7929       22.21770 147.9000       26.59255 70.97046 7.772310 84.03829 7.817493 -13.06783      11.02370 
1 1 1 11 6  7   o 108.9967 4.186002 244.6568       18.64787 237.5350       24.28006 254.9000       29.11860 107.1584 5.552426 110.8228 6.444579 -3.664436      8.506587 
1 1 1 11 6  8   o 122.9168 3.911039 310.8996       19.65961 309.7985       25.54234 312.5000       30.79408 122.4813 5.104101 122.7795 6.144681 -0.2982025     7.988051 
1 1 1 11 6  9   o 139.5325 3.695667 400.4368       21.09648 384.3197       27.44823 423.7000       32.97663 136.4518 4.920650 143.1019 5.638813 -6.650085      7.483917 
1 1 1 11 6  10  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 6  11  f 135.4890 4.419161 378.7110       24.48425 395.5000       41.13586 369.5000       30.46919 137.5611 7.329444 133.5271 5.585052 4.034058       9.214855 
1 1 1 11 6  12  o 63.36265 6.879512 84.55341       17.56294 123.7000       34.56591 70.93000       20.39125 75.14510 11.60728 57.39325 8.970194 17.75185       14.66947 
1 1 1 11 6  13  o 145.4590 3.542558 435.3894       21.09997 459.3709       28.79953 407.6000       31.00175 149.0453 4.724892 140.1679 5.411653 8.877335       7.184051 
1 1 1 11 6  14  o 88.08345 4.346300 160.5612       15.62770 155.6940       22.49702 165.1000       21.72501 86.19272 6.420379 88.89792 6.003417 -2.705200      8.789897 
1 1 1 11 6  15  o 132.1060 4.289032 360.9235       23.17022 369.3000       39.41424 356.5000       28.64199 132.3874 7.299046 130.9277 5.353829 1.459717       9.052047 
1 1 1 11 6  16  o 67.64101 5.200025 95.60434       14.29210 96.74156       21.09853 94.64000       19.42874 67.21264 7.811497 66.67751 7.231735 0.5351334      10.64507 
1 1 1 11 6  17  o 72.15050 4.882186 108.6303       14.33881 107.9659       21.10467 109.2000       19.54167 71.09095 7.356187 71.73976 6.731006 -0.6488113     9.970954 
1 1 1 11 6  18  o 79.79655 4.591168 132.7160       14.93807 145.0492       21.54577 121.3000       20.72912 82.75653 6.408109 75.48690 6.778428 7.269630       9.327966 
1 1 1 11 6  19  o 91.41264 4.268199 173.9099       15.93216 145.5814       22.18142 204.1000       22.89864 82.67225 6.607427 98.43163 5.705794 -15.75938      8.730073 
1 1 1 11 6  20  o 28.95820 11.39052 13.82617       19.79647 13.82617       19.79647 0.000000       0.000000 28.95820 11.39052 ?        ?        ?              ?        
1 1 1 11 6  21  o 29.86370 12.76936 7.899000       27.71690 7.899000       27.71690 0.000000       0.000000 29.86370 12.76936 ?        ?        ?              ?        
1 1 1 11 6  22  o 59.53410 12.72963 87.75000       30.09180 87.75000       30.09180 0.000000       0.000000 59.53410 12.72963 ?        ?        ?              ?        
1 1 1 11 6  23  o 68.97581 11.32257 114.5000       30.87046 114.5000       30.87046 0.000000       0.000000 68.97581 11.32257 ?        ?        ?              ?        
1 1 1 11 6  24  o 47.29885 10.14677 53.71114       19.06284 53.71114       19.06284 0.000000       0.000000 47.29885 10.14677 ?        ?        ?              ?        
1 1 1 11 6  25  o 44.98245 10.43007 49.85704       18.83688 49.85704       18.83688 0.000000       0.000000 44.98245 10.43007 ?        ?        ?              ?        
1 1 1 11 6  26  o 29.95780 11.09231 21.32329       18.05108 21.32329       18.05108 0.000000       0.000000 29.95780 11.09231 ?        ?        ?              ?        
1 1 1 11 6  27  o 25.96421 10.48804 13.15890       17.23121 13.15890       17.23121 0.000000       0.000000 25.96421 10.48804 ?        ?        ?              ?        
1 1 1 11 6  28  o 33.07238 11.08302 29.24949       17.67627 29.24949       17.67627 0.000000       0.000000 33.07238 11.08302 ?        ?        ?              ?        
1 1 1 11 6  29  f 16.84910 8.156162 -20.76821      17.28137 -20.76821      17.28137 0.000000       0.000000 16.84910 8.156162 ?        ?        ?              ?        
1 1 1 11 6  30  o 20.94680 9.532888 -2.500938      17.94194 -2.500938      17.94194 0.000000       0.000000 20.94680 9.532888 ?        ?        ?              ?        
1 1 1 11 6  31  o 27.51741 11.06820 18.35960       19.10120 18.35960       19.10120 0.000000       0.000000 27.51741 11.06820 ?        ?        ?              ?        
1 1 1 11 6  32  o 20.50315 9.498816 -3.770606      18.93740 -3.770606      18.93740 0.000000       0.000000 20.50315 9.498816 ?        ?        ?              ?        
1 1 1 11 6  33  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11 7  -31 o 39.49266 10.34847 43.64450       16.93310 33.50003       20.36892 66.34000       30.46654 32.81713 11.84029 41.93684 14.54010 -9.119705      18.75119 
1 1 1 11 7  -30 o 32.86143 10.57032 30.29712       16.14525 36.37865       19.32674 16.25000       29.37281 34.98139 11.58558 28.02961 12.52440 6.951778       17.06125 
1 1 1 11 7  -29 f 18.61959 8.843991 -13.12789      18.27558 -40.86000      23.77443 26.93000       28.57344 17.50690 8.687456 31.37942 13.16937 -13.87251      15.77670 
1 1 1 11 7  -28 o 24.40222 10.48423 8.064111       18.85059 8.064111       18.85059 0.000000       0.000000 24.40222 10.48423 ?        ?        ?              ?        
1 1 1 11 7  -27 o 50.15844 10.07800 64.02855       19.97963 64.02855       19.97963 0.000000       0.000000 50.15844 10.07800 ?        ?        ?              ?        
1 1 1 11 7  -26 o 19.85287 8.926720 -1.626705      15.17940 -2.760436      18.58755 0.6432000      26.30093 21.33897 9.708061 25.21555 11.50116 -3.876581      15.05069 
1 1 1 11 7  -25 o 51.47300 7.681473 61.48323       15.69527 40.58772       19.19037 103.7000       27.27716 38.91365 11.34773 63.71733 10.84284 -24.80368      15.69517 
1 1 1 11 7  -24 o 17.93741 8.219555 -5.831082      13.63946 -4.883592      16.92730 -7.585000      23.03058 20.27433 9.239454 22.78483 10.52747 -2.510498      14.00697 
1 1 1 11 7  -23 o 23.59628 9.398694 9.202978       13.63596 0.6087485      17.16379 23.91000       22.45288 22.18199 9.759203 32.11981 12.26694 -9.937820      15.67545 
1 1 1 11 7  -22 o 105.8191 4.656149 236.6202       20.12568 224.4000       26.62859 252.9000       30.73508 101.6239 6.432238 107.3070 7.033683 -5.683121      9.531337 
1 1 1 11 7  -21 o 61.46956 6.042177 81.60690       15.01187 84.80298       18.58659 75.61000       25.45973 61.83778 7.493109 55.54864 11.56951 6.289143       13.78405 
1 1 1 11 7  -20 o 71.46888 5.324662 108.5319       15.47039 107.8973       19.21886 109.7000       26.07383 70.49918 6.739566 69.28903 9.434872 1.210152       11.59476 
1 1 1 11 7  -19 o 20.77479 8.783551 2.518549       12.86175 -0.3315615     15.97675 7.767000       21.68069 21.75171 9.496755 27.31596 11.46823 -5.564253      14.88989 
1 1 1 11 7  -18 f 27.07388 9.504120 15.09955       13.03977 23.00585       16.27670 0.9329000      21.78781 32.09218 10.63229 25.49806 11.11200 6.594122       15.37927 
1 1 1 11 7  -17 o 33.29844 9.435593 25.15860       13.44993 19.25826       16.95004 35.19000       22.10104 30.45991 10.82290 38.77715 12.35637 -8.317242      16.42605 
1 1 1 11 7  -16 o 18.95315 8.410241 -3.252241      13.01093 5.788479       16.65715 -17.40000      20.83738 24.60294 10.16779 20.80983 9.747867 3.793110       14.08563 
1 1 1 11 7  -15 o 100.7899 4.166280 210.8424       17.15744 221.0797       22.12531 195.4000       27.17415 102.7964 5.274014 95.85737 6.970824 6.939011       8.741145 
1 1 1 11 7  -14 o 16.35501 7.668567 -12.26346      12.94916 -18.65057      16.74408 -2.759000      20.42551 17.90099 8.491836 24.19454 10.64536 -6.293556      13.61745 
1 1 1 11 7  -13 o 69.40923 5.328261 100.7945       15.02773 93.24842       19.44003 112.0000       23.68925 66.12278 7.301401 72.19650 8.155910 -6.073715      10.94666 
1 1 1 11 7  -12 o 22.04599 9.108743 3.708998       13.36331 3.332063       17.63753 4.217000       20.47561 24.59290 10.33554 26.48998 11.13465 -1.897083      15.19223 
1 1 1 11 7  -11 o 70.32149 5.276546 103.1556       15.08285 105.8516       19.52887 99.17000       23.74453 70.80828 6.819739 67.86040 8.748549 2.947884       11.09261 
1 1 1 11 7  -10 o 106.3298 4.123011 233.5729       17.91720 255.7428       23.45360 202.5000       27.76635 110.9871 5.174998 98.16929 6.952445 12.81776       8.667011 
1 1 1 11 7  -9  o 53.20676 6.869923 60.01270       14.61830 66.83994       18.94648 49.97000       22.97899 55.70259 8.581902 47.14537 11.90325 8.557213       14.67435 
1 1 1 11 7  -8  o 65.30665 5.708033 89.08275       15.11073 96.01140       19.51171 78.70000       23.88511 67.44432 7.175228 60.09896 10.06124 7.345360       12.35768 
1 1 1 11 7  -7  o 33.09993 9.755857 23.66129       14.11905 25.63497       18.14229 20.63000       22.48374 34.84414 11.20471 33.73665 12.39916 1.107491       16.71181 
1 1 1 11 7  -6  o 159.6656 3.570495 524.2813       23.34341 512.5341       29.37830 544.4000       38.44691 157.5807 4.557805 162.0059 5.805089 -4.425125      7.380558 
1 1 1 11 7  -5  f 97.12459 4.862774 195.1541       19.27765 204.3000       27.18297 185.9000       27.34317 98.91254 6.752010 94.22213 7.140301 4.690407       9.827184 
1 1 1 11 7  -4  o 56.77326 7.501573 68.28871       17.01263 57.04000       23.70327 80.24000       24.43228 50.72912 11.65619 60.85339 10.16335 -10.12427      15.46481 
1 1 1 11 7  -3  o 77.87449 5.790521 126.1522       18.33234 119.1000       26.02297 133.1000       25.82981 74.92799 8.639826 79.43359 8.052450 -4.505592      11.81053 
1 1 1 11 7  -2  o 41.09616 9.266733 36.83972       15.22046 19.13827       20.02432 61.06000       23.42302 32.39885 11.73287 52.67197 11.20497 -20.27313      16.22380 
1 1 1 11 7  -1  o 75.84830 5.344670 119.3895       16.49307 115.1713       21.51581 125.4000       25.68305 74.08726 7.182338 77.04328 8.270505 -2.956024      10.95387 
1 1 1 11 7  0   o 116.4776 5.283072 280.6943       25.13167 280.6943       25.13167 0.000000       0.000000 116.4776 5.283072 ?        ?        ?              ?        
1 1 1 11 7  1   o 69.36317 7.888927 101.5951       22.00871 101.5951       22.00871 0.000000       0.000000 69.36317 7.888927 ?        ?        ?              ?        
1 1 1 11 7  2   o 49.92683 15.72115 55.15000       35.87040 55.15000       35.87040 0.000000       0.000000 49.92683 15.72115 ?        ?        ?              ?        
1 1 1 11 7  3   o 81.96880 6.550464 140.2839       21.80313 130.9000       38.25116 144.8000       26.53594 77.21879 12.52638 82.92413 7.910754 -5.705345      14.81520 
1 1 1 11 7  4   o 42.94934 10.65700 40.64653       18.65236 53.15000       34.90749 35.65000       22.06671 49.02734 15.51795 40.48964 12.25954 8.537701       19.77633 
1 1 1 11 7  5   f 131.5246 3.862906 356.2609       20.78140 354.3706       27.68657 358.7000       31.45063 130.8696 5.176827 131.4754 5.856682 -0.6058655     7.816666 
1 1 1 11 7  6   o 116.3969 3.981362 279.2508       18.94774 268.2580       25.29679 293.3000       28.59821 113.7472 5.447084 118.8237 5.896172 -5.076454      8.027177 
1 1 1 11 7  7   o 98.41255 4.340955 200.0565       17.44979 197.1945       23.94116 203.3000       25.48677 97.30370 6.038609 98.71961 6.338520 -1.415916      8.754520 
1 1 1 11 7  8   o 45.73206 7.935636 45.04293       14.32168 48.45178       20.67791 41.90000       19.85497 46.67048 11.00123 43.38500 11.12463 3.285477       15.64558 
1 1 1 11 7  9   o 133.8093 3.632217 368.8618       19.88294 377.7810       26.88817 358.1000       29.53534 135.0872 4.868928 131.3146 5.505147 3.772629       7.349361 
1 1 1 11 7  10  o 158.2704 3.514919 515.6823       22.77925 494.6925       29.69394 545.7000       35.51014 154.6146 4.695658 162.1403 5.355914 -7.525665      7.122851 
1 1 1 11 7  11  o 52.05662 6.739152 57.56961       14.02822 37.02081       20.54431 75.52000       19.20150 40.64234 11.70872 59.30250 8.120534 -18.66016      14.24911 
1 1 1 11 7  12  o 41.89596 8.185825 38.35959       13.53922 35.31362       19.84889 41.01000       18.51528 39.65284 11.53436 42.70246 10.63056 -3.049618      15.68599 
1 1 1 11 7  13  o 53.64939 6.501354 61.16154       13.99107 51.06040       20.41967 70.10000       19.20855 47.55132 10.74162 56.79868 8.521729 -9.247356      13.71139 
1 1 1 11 7  14  o 58.52803 5.894747 72.34407       13.93488 61.85536       20.38183 81.55000       19.09485 52.67454 9.810596 61.52752 7.750805 -8.852982      12.50291 
1 1 1 11 7  15  o 26.47069 9.319674 13.83763       12.54502 18.98797       18.97188 9.836000       16.72287 31.19322 11.40186 26.34814 10.43620 4.845085       15.45693 
1 1 1 11 7  16  o 49.02088 10.07376 54.62510       19.54420 54.62510       19.54420 0.000000       0.000000 49.02088 10.07376 ?        ?        ?              ?        
1 1 1 11 7  17  o 37.87878 11.33419 33.39267       18.94272 33.39267       18.94272 0.000000       0.000000 37.87878 11.33419 ?        ?        ?              ?        
1 1 1 11 7  18  f 44.56285 10.87479 46.73471       19.66579 46.73471       19.66579 0.000000       0.000000 44.56285 10.87479 ?        ?        ?              ?        
1 1 1 11 7  19  o 65.21121 7.894281 93.75263       20.65083 93.75263       20.65083 0.000000       0.000000 65.21121 7.894281 ?        ?        ?              ?        
1 1 1 11 7  20  o 74.00627 6.968555 119.2705       20.86861 119.2705       20.86861 0.000000       0.000000 74.00627 6.968555 ?        ?        ?              ?        
1 1 1 11 7  21  o 82.81766 6.270524 148.1469       21.10630 148.1469       21.10630 0.000000       0.000000 82.81766 6.270524 ?        ?        ?              ?        
1 1 1 11 7  22  o 31.25141 11.44194 22.15461       19.11739 22.15461       19.11739 0.000000       0.000000 31.25141 11.44194 ?        ?        ?              ?        
1 1 1 11 7  23  o 28.86058 11.11963 17.56974       18.55999 17.56974       18.55999 0.000000       0.000000 28.86058 11.11963 ?        ?        ?              ?        
1 1 1 11 7  24  o 32.99809 11.53828 27.73274       19.20682 27.73274       19.20682 0.000000       0.000000 32.99809 11.53828 ?        ?        ?              ?        
1 1 1 11 7  25  o 33.75567 11.35917 30.17544       18.56665 30.17544       18.56665 0.000000       0.000000 33.75567 11.35917 ?        ?        ?              ?        
1 1 1 11 7  26  o 20.07475 9.263319 -6.173399      17.74824 -6.173399      17.74824 0.000000       0.000000 20.07475 9.263319 ?        ?        ?              ?        
1 1 1 11 7  27  o 21.12726 9.606127 -2.660044      18.16608 -2.660044      18.16608 0.000000       0.000000 21.12726 9.606127 ?        ?        ?              ?        
1 1 1 11 7  28  o 36.30068 14.22219 41.52000       30.75813 41.52000       30.75813 0.000000       0.000000 36.30068 14.22219 ?        ?        ?              ?        
1 1 1 11 7  29  f 37.28419 14.41757 47.30000       31.28437 47.30000       31.28437 0.000000       0.000000 37.28419 14.41757 ?        ?        ?              ?        
1 1 1 11 7  30  o 27.39796 12.44748 12.42000       30.42752 12.42000       30.42752 0.000000       0.000000 27.39796 12.44748 ?        ?        ?              ?        
1 1 1 11 7  31  o 37.39285 11.91368 43.50941       20.54633 43.50941       20.54633 0.000000       0.000000 37.39285 11.91368 ?        ?        ?              ?        
1 1 1 11 8  -29 o 28.15331 10.60883 21.74068       16.65809 18.23396       20.03260 29.60000       29.99022 26.93661 11.14311 30.69830 13.20712 -3.761684      17.27995 
1 1 1 11 8  -28 o 46.70177 9.101807 55.47246       16.77970 51.49593       20.23377 64.23000       30.02727 42.37978 11.40878 42.69868 14.44567 -0.3189049     18.40755 
1 1 1 11 8  -27 o 45.83723 10.28411 55.21103       18.82640 42.20000       24.50029 73.97000       29.41846 37.00930 13.02468 48.18437 14.04970 -11.17507      19.15819 
1 1 1 11 8  -26 o 18.18020 8.689853 -16.18613      18.22470 -3.874000      24.49592 -31.45000      27.27468 23.52153 10.86409 20.34961 9.939485 3.171915       14.72487 
1 1 1 11 8  -25 o 23.52902 9.818320 8.600255       15.74540 -4.475040      19.46924 33.32000       26.76981 21.31986 9.788329 34.08167 13.29273 -12.76181      16.50782 
1 1 1 11 8  -24 o 56.79105 7.171741 74.11702       16.30622 99.71950       20.31062 27.69000       27.35064 65.40553 7.733147 32.33844 13.15836 33.06709       15.26250 
1 1 1 11 8  -23 o 20.61725 9.503759 -6.252618      18.61213 -6.252618      18.61213 0.000000       0.000000 20.61725 9.503759 ?        ?        ?              ?        
1 1 1 11 8  -22 o 43.84753 10.73649 49.20424       19.11977 49.20424       19.11977 0.000000       0.000000 43.84753 10.73649 ?        ?        ?              ?        
1 1 1 11 8  -21 o 30.86004 11.36215 22.46633       18.89394 22.46633       18.89394 0.000000       0.000000 30.86004 11.36215 ?        ?        ?              ?        
1 1 1 11 8  -20 o 26.41753 10.00985 14.01293       14.87738 31.73322       19.33885 -11.68000      23.28638 35.61947 11.57793 22.50342 10.46241 13.11605       15.60483 
1 1 1 11 8  -19 o 54.45867 7.020639 65.54070       15.29169 67.86500       19.37388 61.70000       24.90440 54.18657 9.050737 49.23870 12.36978 4.947861       15.32734 
1 1 1 11 8  -18 o 67.82427 5.759709 98.66443       15.84481 80.36532       19.94164 130.0000       26.09544 59.67370 8.392787 75.97925 8.535169 -16.30555      11.97030 
1 1 1 11 8  -17 o 21.29710 9.255564 0.3751844      15.02817 11.46000       21.00021 -11.26000      21.51523 28.08033 11.49047 22.07242 10.19011 6.007908       15.35804 
1 1 1 11 8  -16 o 22.63633 9.301370 5.573174       13.83352 13.10394       18.21832 -4.681000      21.25882 27.81091 10.93076 23.58825 10.58866 4.222664       15.21845 
1 1 1 11 8  -15 o 60.21816 6.153799 77.63321       14.96073 88.42236       19.76839 63.17000       22.88812 63.52621 7.760585 51.79509 11.12402 11.73111       13.56357 
1 1 1 11 8  -14 o 62.16385 5.891603 82.19404       14.81771 77.69750       19.35593 88.56000       23.03069 59.42475 8.170749 62.94661 9.207647 -3.521862      12.31024 
1 1 1 11 8  -13 o 102.7282 4.179183 219.4800       17.54276 235.6433       22.93705 196.7000       27.23011 105.9517 5.303815 95.90799 6.981594 10.04370       8.767731 
1 1 1 11 8  -12 o 93.30650 4.398006 181.2394       16.75591 177.7541       21.77436 186.3000       26.23783 91.83648 5.820306 93.49184 6.902447 -1.655357      9.028829 
1 1 1 11 8  -11 o 64.31786 5.840136 87.36667       15.21329 81.98315       19.94856 94.85000       23.51941 61.42195 8.131198 65.74384 8.970424 -4.321896      12.10722 
1 1 1 11 8  -10 o 36.45756 9.263597 29.78331       13.85495 34.32420       18.74857 24.32000       20.56487 38.84140 11.18389 34.10997 11.93837 4.731422       16.35861 
1 1 1 11 8  -9  f 101.8352 4.177373 214.9353       17.38211 219.1135       23.11694 209.5000       26.36636 102.3547 5.536274 99.68295 6.494957 2.671753       8.534330 
1 1 1 11 8  -8  o 65.84840 5.642200 91.00928       15.06663 94.87071       20.35513 86.33000       22.40727 66.59479 7.600571 62.97701 8.940181 3.617775       11.73437 
1 1 1 11 8  -7  o 57.69242 8.118710 71.79099       18.64939 84.46000       36.48457 67.31000       21.69829 59.62424 14.96809 55.14622 9.976305 4.478016       17.98807 
1 1 1 11 8  -6  o 75.14494 6.558155 119.0151       19.97730 115.4000       37.95854 120.4000       23.49432 70.86389 13.57566 75.16784 7.743882 -4.303947      15.62902 
1 1 1 11 8  -5  o 67.11070 6.960807 95.36417       18.85081 117.1000       36.92078 87.70000       21.92378 71.78973 13.03999 63.77083 8.616170 8.018898       15.62945 
1 1 1 11 8  -4  o 81.12444 6.108737 137.8936       20.14305 150.0000       37.54361 133.0000       23.86943 82.40734 11.43379 79.22672 7.445014 3.180618       13.64404 
1 1 1 11 8  -3  o 85.63000 4.785409 152.1946       16.71238 138.7220       22.81303 167.8000       24.55247 81.12753 6.933774 89.33757 6.761975 -8.210037      9.685120 
1 1 1 11 8  -2  f 53.86895 8.761419 62.91113       18.66230 88.43000       37.60072 54.57000       21.49700 61.46959 15.05930 49.41335 10.91603 12.05624       18.59952 
1 1 1 11 8  -1  o 96.32921 4.403603 192.0534       17.32369 188.6499       23.50602 196.1000       25.63037 95.00921 6.073927 96.73006 6.508856 -1.720856      8.902685 
1 1 1 11 8  0   o 144.6513 3.636500 431.2361       21.52216 435.7545       28.36001 425.1000       33.04911 145.0600 4.781102 142.9499 5.657311 2.110184       7.407031 
1 1 1 11 8  1   o 193.9836 3.510120 774.7537       27.88119 782.4720       35.88630 763.0000       44.28502 194.5956 4.503719 191.5746 5.651576 3.020966       7.226604 
1 1 1 11 8  2   f 69.93272 5.487098 102.1143       15.58683 94.01047       21.67077 110.8000       22.43532 66.30250 8.153665 72.20679 7.707056 -5.904289      11.21967 
1 1 1 11 8  3   o 56.07180 7.507128 67.14105       16.80357 35.89000       27.23475 86.35000       21.35221 40.79129 13.75766 63.39450 8.434691 -22.60320      16.13744 
1 1 1 11 8  4   o 166.5764 4.127607 572.7630       28.15375 621.2000       43.41064 537.6000       36.98715 172.5156 6.155171 160.7266 5.628719 11.78896       8.340779 
1 1 1 11 8  5   o 173.7600 4.118185 623.3741       29.30083 608.5000       43.33622 635.9000       39.76854 170.6589 6.211878 174.8100 5.562914 -4.151062      8.338672 
1 1 1 11 8  6   o 58.60669 6.207482 72.47209       14.67040 87.34068       21.02710 58.37000       20.47795 63.72932 8.251279 51.27388 10.11308 12.45544       13.05212 
1 1 1 11 8  7   o 129.4886 3.748080 346.1857       19.85215 327.2794       26.23838 371.5000       30.36103 125.4451 5.118849 133.4768 5.567252 -8.031731      7.562864 
1 1 1 11 8  8   o 59.29628 8.940188 76.69046       21.03281 76.69046       21.03281 0.000000       0.000000 59.29628 8.940188 ?        ?        ?              ?        
1 1 1 11 8  9   f 84.69875 6.464140 151.4310       22.24943 151.4310       22.24943 0.000000       0.000000 84.69875 6.464140 ?        ?        ?              ?        
1 1 1 11 8  10  o 33.49828 11.67441 23.43085       19.65334 23.43085       19.65334 0.000000       0.000000 33.49828 11.67441 ?        ?        ?              ?        
1 1 1 11 8  11  o 75.10114 4.948718 117.9290       15.13340 120.4444       21.16949 115.3000       21.64206 75.15224 6.958301 73.37088 7.300375 1.781357       10.08531 
1 1 1 11 8  12  o 32.88684 11.59258 22.73756       19.41453 22.73756       19.41453 0.000000       0.000000 32.88684 11.59258 ?        ?        ?              ?        
1 1 1 11 8  13  o 51.28435 10.02804 59.82036       20.30350 59.82036       20.30350 0.000000       0.000000 51.28435 10.02804 ?        ?        ?              ?        
1 1 1 11 8  14  o 40.96693 11.51730 39.64233       20.12086 39.64233       20.12086 0.000000       0.000000 40.96693 11.51730 ?        ?        ?              ?        
1 1 1 11 8  15  o 74.78066 7.258004 121.1987       21.94527 121.1987       21.94527 0.000000       0.000000 74.78066 7.258004 ?        ?        ?              ?        
1 1 1 11 8  16  o 18.23939 9.069107 -57.58000      26.42391 -57.58000      26.42391 0.000000       0.000000 18.23939 9.069107 ?        ?        ?              ?        
1 1 1 11 8  17  o 47.72916 10.42288 53.91512       19.79818 53.91512       19.79818 0.000000       0.000000 47.72916 10.42288 ?        ?        ?              ?        
1 1 1 11 8  18  o 63.60091 7.976896 90.37360       20.31835 90.37360       20.31835 0.000000       0.000000 63.60091 7.976896 ?        ?        ?              ?        
1 1 1 11 8  19  o 55.57603 13.51271 80.90000       30.44862 80.90000       30.44862 0.000000       0.000000 55.57603 13.51271 ?        ?        ?              ?        
1 1 1 11 8  20  o 44.93176 10.92241 50.10624       19.89704 50.10624       19.89704 0.000000       0.000000 44.93176 10.92241 ?        ?        ?              ?        
1 1 1 11 8  21  o 31.74145 11.56400 24.31603       19.49178 24.31603       19.49178 0.000000       0.000000 31.74145 11.56400 ?        ?        ?              ?        
1 1 1 11 8  22  o 29.25493 11.23948 19.57762       18.92438 19.57762       18.92438 0.000000       0.000000 29.25493 11.23948 ?        ?        ?              ?        
1 1 1 11 8  23  o 20.70256 9.471196 -4.586077      18.01165 -4.586077      18.01165 0.000000       0.000000 20.70256 9.471196 ?        ?        ?              ?        
1 1 1 11 8  24  o 26.61956 10.79910 14.55322       18.35781 14.55322       18.35781 0.000000       0.000000 26.61956 10.79910 ?        ?        ?              ?        
1 1 1 11 8  25  o 22.94016 10.12811 3.233256       18.63818 3.233256       18.63818 0.000000       0.000000 22.94016 10.12811 ?        ?        ?              ?        
1 1 1 11 8  26  o 37.57957 11.54144 39.23111       19.46571 39.23111       19.46571 0.000000       0.000000 37.57957 11.54144 ?        ?        ?              ?        
1 1 1 11 8  27  o 24.08898 11.09840 -1.170000      25.33584 -1.170000      25.33584 0.000000       0.000000 24.08898 11.09840 ?        ?        ?              ?        
1 1 1 11 8  28  o 19.75364 9.623201 -25.11000      25.09576 -25.11000      25.09576 0.000000       0.000000 19.75364 9.623201 ?        ?        ?              ?        
1 1 1 11 8  29  o 23.05761 10.78752 -2.341000      25.38825 -2.341000      25.38825 0.000000       0.000000 23.05761 10.78752 ?        ?        ?              ?        
1 1 1 11 9  -27 f 22.02474 9.652368 5.775900       16.64224 -0.4081212E-02 20.25368 17.79000       29.20023 21.81427 10.00355 27.89187 12.47345 -6.077602      15.98931 
1 1 1 11 9  -26 o 16.02843 7.785494 -19.53377      16.10028 -22.00289      19.46772 -14.19000      28.63969 17.53870 8.528686 22.52981 10.80219 -4.991110      13.76320 
1 1 1 11 9  -25 o 20.44204 9.219802 -0.7945195     16.33409 -11.16039      19.74346 21.69000       29.07785 19.75205 9.325488 30.01407 12.95937 -10.26201      15.96591 
1 1 1 11 9  -24 o 23.67064 9.916028 8.821521       16.15447 11.00482       19.54286 4.111000       28.70555 25.53823 10.81372 26.43982 12.04252 -0.9015884     16.18514 
1 1 1 11 9  -23 o 60.81919 6.953182 84.46953       17.00521 76.86681       20.90747 99.33000       29.23031 55.63163 9.520198 60.00483 12.30981 -4.373207      15.56167 
1 1 1 11 9  -22 o 27.77884 10.33598 18.53360       15.70897 5.686805       19.19114 44.62000       27.34705 23.87945 10.41735 38.07965 13.72192 -14.20021      17.22824 
1 1 1 11 9  -21 o 29.79384 10.99120 22.23891       17.69508 26.36000       24.55930 17.79000       25.51744 31.85971 12.63829 29.29183 12.37763 2.567884       17.68989 
1 1 1 11 9  -20 o 24.66688 10.25872 9.606510       17.10617 -17.06000      24.17210 36.36000       24.21149 21.31879 10.13896 35.98550 12.91834 -14.66671      16.42200 
1 1 1 11 9  -19 o 56.93763 8.893634 76.83552       20.05726 47.06000       35.16776 91.19000       24.41794 39.41560 15.27414 60.92622 10.14422 -21.51062      18.33588 
1 1 1 11 9  -18 o 35.76722 9.962335 31.51986       15.12928 2.850773       19.56232 74.19000       23.86577 23.94226 10.47957 54.39249 11.09190 -30.45023      15.25947 
1 1 1 11 9  -17 o 56.90638 7.736695 73.09806       17.56127 82.14000       25.13891 64.48000       24.54258 57.80789 11.02244 50.15947 12.09171 7.648418       16.36165 
1 1 1 11 9  -16 o 26.02034 10.89648 8.295627       19.49641 8.295627       19.49641 0.000000       0.000000 26.02034 10.89648 ?        ?        ?              ?        
1 1 1 11 9  -15 o 53.88940 14.51865 78.16000       32.75243 78.16000       32.75243 0.000000       0.000000 53.88940 14.51865 ?        ?        ?              ?        
1 1 1 11 9  -14 o 63.10512 7.864115 88.55660       19.88096 119.1000       33.76621 72.35000       24.59629 69.72449 12.27507 54.69330 11.35471 15.03119       16.72145 
1 1 1 11 9  -13 o 40.12746 10.54296 38.36149       17.54500 32.34000       33.59370 40.62000       20.57390 37.92888 14.86236 40.80546 11.70516 -2.876579      18.91826 
1 1 1 11 9  -12 o 57.99422 6.464946 72.61163       15.09157 82.29910       21.27508 62.80000       21.41099 60.50568 8.848802 51.82197 10.45127 8.683708       13.69417 
1 1 1 11 9  -11 o 59.84116 6.220695 76.80551       15.02057 75.10590       20.39533 78.82000       22.20435 57.85715 8.893166 58.93283 9.526298 -1.075680      13.03222 
1 1 1 11 9  -10 o 40.67561 8.793171 37.46439       14.21798 31.22748       19.45751 44.61000       20.82679 36.62226 11.58486 43.30215 11.53834 -6.679897      16.35060 
1 1 1 11 9  -9  o 29.70601 9.797261 19.22381       13.82530 3.554951       19.45768 35.20000       19.64757 25.18613 10.73206 38.73950 11.53153 -13.55338      15.75288 
1 1 1 11 9  -8  o 77.32050 4.927500 125.3576       15.51958 122.0886       21.11333 129.2000       22.89020 75.45263 6.910385 77.43267 7.305758 -1.980042      10.05622 
1 1 1 11 9  -7  o 39.17446 8.883756 34.56509       13.92109 29.26792       18.88434 40.87000       20.60246 35.88791 11.42025 41.76596 11.62264 -5.878044      16.29441 
1 1 1 11 9  -6  o 40.02809 8.496970 35.76952       13.49567 34.62078       18.69349 37.02000       19.50379 38.72353 11.17282 39.94275 11.37710 -1.219219      15.94585 
1 1 1 11 9  -5  o 31.48678 9.688526 21.94154       13.70921 3.447873       18.94523 42.27000       19.86280 25.07735 10.63407 42.71022 11.21594 -17.63287      15.45577 
1 1 1 11 9  -4  o 95.86937 4.229350 190.9421       16.56181 186.3473       22.29455 196.6000       24.73968 94.10221 5.814344 96.44114 6.299279 -2.338928      8.572486 
1 1 1 11 9  -3  o 32.75088 9.489679 23.94050       13.45916 20.99733       19.18990 26.79000       18.88208 32.15324 11.50586 34.85439 11.44743 -2.701153      16.23048 
1 1 1 11 9  -2  o 76.27869 4.951387 121.6144       15.38160 107.7195       20.68536 138.8000       23.00476 70.94812 7.220809 80.70201 7.031741 -9.753891      10.07896 
1 1 1 11 9  -1  o 71.06065 5.206578 105.8213       15.04461 98.25723       20.87273 114.0000       21.70420 67.55167 7.682354 72.95562 7.366198 -5.403946      10.64328 
1 1 1 11 9  0   f 29.45885 9.824739 18.30380       13.89282 10.13959       19.58084 26.58000       19.71468 27.84239 11.20372 34.92731 11.70463 -7.084915      16.20252 
1 1 1 11 9  1   o 87.92274 5.192794 161.7024       18.61180 182.9000       29.38387 147.5000       24.05176 92.30990 7.848190 83.17786 7.130516 9.132042       10.60369 
1 1 1 11 9  2   o 50.45403 7.245827 54.96206       14.54060 65.86365       20.25076 43.36000       20.89123 54.43578 9.426403 43.28849 11.56589 11.14729       14.92068 
1 1 1 11 9  3   o 93.50891 4.438549 181.8804       16.94638 155.9063       22.59157 215.3000       25.62577 85.78860 6.479096 101.0086 6.226009 -15.22002      8.985648 
1 1 1 11 9  4   o 73.57405 5.262574 113.5678       15.74961 80.61601       21.30186 153.3000       23.39106 60.54363 8.854392 84.89645 6.785209 -24.35282      11.15524 
1 1 1 11 9  5   o 51.50076 7.131007 57.27488       14.63493 61.72946       20.34687 52.50000       21.06568 52.36547 9.850615 47.71360 11.00647 4.651863       14.77081 
1 1 1 11 9  6   o 80.83086 6.704874 139.2331       21.99228 139.2331       21.99228 0.000000       0.000000 80.83086 6.704874 ?        ?        ?              ?        
1 1 1 11 9  7   o 117.2342 5.284026 288.1884       25.30032 288.1884       25.30032 0.000000       0.000000 117.2342 5.284026 ?        ?        ?              ?        
1 1 1 11 9  8   o 104.8455 5.604724 231.5710       23.97438 231.5710       23.97438 0.000000       0.000000 104.8455 5.604724 ?        ?        ?              ?        
1 1 1 11 9  9   o 20.00652 9.398347 -17.00006      19.60788 -17.00006      19.60788 0.000000       0.000000 20.00652 9.398347 ?        ?        ?              ?        
1 1 1 11 9  10  o 37.94281 11.88741 33.86090       20.53439 33.86090       20.53439 0.000000       0.000000 37.94281 11.88741 ?        ?        ?              ?        
1 1 1 11 9  11  o 68.36047 11.98973 111.0000       32.33813 111.0000       32.33813 0.000000       0.000000 68.36047 11.98973 ?        ?        ?              ?        
1 1 1 11 9  12  o 31.88431 13.35697 13.81000       29.31151 13.81000       29.31151 0.000000       0.000000 31.88431 13.35697 ?        ?        ?              ?        
1 1 1 11 9  13  o 30.16551 13.15697 6.196000       30.59916 6.196000       30.59916 0.000000       0.000000 30.16551 13.15697 ?        ?        ?              ?        
1 1 1 11 9  14  o 23.30870 10.29744 -0.9540291     19.29619 -0.9540291     19.29619 0.000000       0.000000 23.30870 10.29744 ?        ?        ?              ?        
1 1 1 11 9  15  o 24.73321 10.58004 4.591384       19.04187 4.591384       19.04187 0.000000       0.000000 24.73321 10.58004 ?        ?        ?              ?        
1 1 1 11 9  16  o 75.03416 7.016588 123.8362       21.30804 123.8362       21.30804 0.000000       0.000000 75.03416 7.016588 ?        ?        ?              ?        
1 1 1 11 9  17  o 61.60809 8.401186 86.85308       20.64191 86.85308       20.64191 0.000000       0.000000 61.60809 8.401186 ?        ?        ?              ?        
1 1 1 11 9  18  o 64.66328 8.304415 96.25191       21.48128 96.25191       21.48128 0.000000       0.000000 64.66328 8.304415 ?        ?        ?              ?        
1 1 1 11 9  19  o 49.59128 10.42165 61.51090       20.48902 61.51090       20.48902 0.000000       0.000000 49.59128 10.42165 ?        ?        ?              ?        
1 1 1 11 9  20  o 23.82203 10.93590 -3.928000      24.29271 -3.928000      24.29271 0.000000       0.000000 23.82203 10.93590 ?        ?        ?              ?        
1 1 1 11 9  21  o 33.58310 12.91136 31.23000       24.98528 31.23000       24.98528 0.000000       0.000000 33.58310 12.91136 ?        ?        ?              ?        
1 1 1 11 9  22  o 29.01917 12.46607 16.61000       26.64356 16.61000       26.64356 0.000000       0.000000 29.01917 12.46607 ?        ?        ?              ?        
1 1 1 11 9  23  o 57.23648 9.341063 80.78877       21.13804 80.78877       21.13804 0.000000       0.000000 57.23648 9.341063 ?        ?        ?              ?        
1 1 1 11 9  24  o 26.26390 10.96288 13.11006       19.63921 13.11006       19.63921 0.000000       0.000000 26.26390 10.96288 ?        ?        ?              ?        
1 1 1 11 9  25  o 25.32258 10.94775 10.11533       20.80401 10.11533       20.80401 0.000000       0.000000 25.32258 10.94775 ?        ?        ?              ?        
1 1 1 11 9  26  o 32.83179 11.91442 32.22134       20.66298 32.22134       20.66298 0.000000       0.000000 32.83179 11.91442 ?        ?        ?              ?        
1 1 1 11 9  27  f 20.49333 9.597851 -5.982876      20.18540 -5.982876      20.18540 0.000000       0.000000 20.49333 9.597851 ?        ?        ?              ?        
1 1 1 11 10 -25 o 46.64999 9.831307 58.43315       18.18642 41.15757       22.14618 94.21000       31.87011 35.61426 12.39389 51.92735 14.45760 -16.31310      19.04286 
1 1 1 11 10 -24 o 25.19198 11.01841 11.04009       21.59056 -6.486000      32.69022 24.60000       28.75436 24.58448 11.71984 29.74312 12.86483 -5.158634      17.40283 
1 1 1 11 10 -23 f 22.42619 10.31750 -1.867787      21.78575 -19.74000      32.74249 12.33000       29.18320 23.28626 11.26122 27.55507 12.38475 -4.268808      16.73909 
1 1 1 11 10 -22 o 25.35467 11.04295 8.961771       21.49076 13.97000       31.58026 4.642000       29.32945 28.89167 12.94240 26.52358 12.11592 2.368090       17.72854 
1 1 1 11 10 -21 o 39.25839 12.20342 44.15953       21.68572 24.98000       31.72532 60.98000       29.71023 31.73513 13.61743 43.52369 14.36252 -11.78856      19.79183 
1 1 1 11 10 -20 o 29.26952 10.46866 21.55378       15.88400 2.712140       19.36797 60.26000       27.75973 23.09664 10.25433 44.23656 13.81588 -21.13992      17.20551 
1 1 1 11 10 -19 o 32.48831 10.52224 27.69194       15.98115 23.68531       19.61617 35.60000       27.55876 30.40732 11.50028 34.82600 13.51413 -4.418680      17.74508 
1 1 1 11 10 -18 o 68.87246 6.068602 105.3219       16.93941 97.61317       21.12649 119.2000       28.34667 64.29772 8.211441 68.52192 10.43170 -4.224197      13.27585 
1 1 1 11 10 -17 o 42.45371 11.28844 48.02159       19.96076 48.02159       19.96076 0.000000       0.000000 42.45371 11.28844 ?        ?        ?              ?        
1 1 1 11 10 -16 o 24.21086 9.883426 9.642713       15.49109 15.49908       20.11710 1.111000       24.28115 27.89481 11.30900 25.10250 11.28841 2.792307       15.97879 
1 1 1 11 10 -15 o 30.56804 10.43134 22.69317       15.66119 22.32719       21.01834 23.15000       23.48250 30.92216 11.85389 31.58158 12.41077 -0.6594296     17.16223 
1 1 1 11 10 -14 f 69.30675 6.952324 106.7183       19.46398 99.15000       29.57623 112.5000       25.85081 62.26825 12.03534 69.07143 9.382462 -6.803181      15.26041 
1 1 1 11 10 -13 o 55.78469 8.069157 70.84942       17.89699 78.37000       27.74463 65.49000       23.42136 54.98890 12.59353 51.07204 11.47973 3.916859       17.04057 
1 1 1 11 10 -12 o 58.33610 6.918176 75.11583       16.20410 89.86307       22.30369 58.63000       23.58180 62.41862 8.984964 48.07196 12.01438 14.34667       15.00249 
1 1 1 11 10 -11 o 43.04425 8.820689 42.95995       15.02389 22.55912       20.08242 68.89000       22.64090 31.75496 11.71016 53.47662 10.71333 -21.72166      15.87146 
1 1 1 11 10 -10 o 21.14149 9.128175 1.341736       14.42584 19.80557       19.56593 -20.65000      21.35351 30.58906 11.50383 20.01261 9.521098 10.57645       14.93283 
1 1 1 11 10 -9  o 77.00251 7.000319 129.4503       21.83127 129.4503       21.83127 0.000000       0.000000 77.00251 7.000319 ?        ?        ?              ?        
1 1 1 11 10 -8  o 23.36767 10.34593 -1.441424      19.58083 -1.441424      19.58083 0.000000       0.000000 23.36767 10.34593 ?        ?        ?              ?        
1 1 1 11 10 -7  o 94.32597 5.991896 190.1484       23.02339 190.1484       23.02339 0.000000       0.000000 94.32597 5.991896 ?        ?        ?              ?        
1 1 1 11 10 -6  o 19.12411 8.555993 -3.752984      13.75422 3.535364       19.14341 -11.53000      19.77476 24.71892 10.59182 21.06233 9.739871 3.656590       14.38929 
1 1 1 11 10 -5  o 51.58270 7.208912 58.34409       14.81118 45.95568       20.69606 71.35000       21.20557 43.66879 11.43966 55.80715 9.627468 -12.13836      14.95172 
1 1 1 11 10 -4  o 138.8101 3.685635 400.2278       20.93019 378.8173       27.02812 432.3000       33.08004 134.2900 4.923611 142.8873 5.665125 -8.597382      7.505703 
1 1 1 11 10 -3  o 19.58612 8.624475 -1.819124      13.43101 5.542808       19.18602 -8.894000      18.80825 25.50830 10.75338 21.16595 9.681374 4.342344       14.46942 
1 1 1 11 10 -2  o 53.79163 6.823041 62.80456       14.69092 66.70902       20.64586 58.80000       20.90884 54.01089 9.691364 50.18558 10.51209 3.825314       14.29779 
1 1 1 11 10 -1  o 74.06833 6.089491 117.0999       18.30581 125.7000       31.46570 112.7000       22.50659 73.79203 10.72763 71.74413 7.785918 2.047905       13.25529 
1 1 1 11 10 0   o 42.40041 11.31493 42.86968       20.00948 42.86968       20.00948 0.000000       0.000000 42.40041 11.31493 ?        ?        ?              ?        
1 1 1 11 10 1   o 23.64852 10.40919 -1.210418      19.54696 -1.210418      19.54696 0.000000       0.000000 23.64852 10.40919 ?        ?        ?              ?        
1 1 1 11 10 2   o 38.34482 11.72566 35.00774       20.11960 35.00774       20.11960 0.000000       0.000000 38.34482 11.72566 ?        ?        ?              ?        
1 1 1 11 10 3   o 41.66353 11.44269 41.59699       20.11607 41.59699       20.11607 0.000000       0.000000 41.66353 11.44269 ?        ?        ?              ?        
1 1 1 11 10 4   o 66.77654 7.895255 98.15547       21.17105 98.15547       21.17105 0.000000       0.000000 66.77654 7.895255 ?        ?        ?              ?        
1 1 1 11 10 5   o 38.53395 11.68270 35.66046       20.02985 35.66046       20.02985 0.000000       0.000000 38.53395 11.68270 ?        ?        ?              ?        
1 1 1 11 10 6   o 95.74767 6.004454 195.6907       23.42255 195.6907       23.42255 0.000000       0.000000 95.74767 6.004454 ?        ?        ?              ?        
1 1 1 11 10 7   o 43.90735 11.25552 46.63012       20.32873 46.63012       20.32873 0.000000       0.000000 43.90735 11.25552 ?        ?        ?              ?        
1 1 1 11 10 8   o 45.75334 11.08023 50.56451       20.53551 50.56451       20.53551 0.000000       0.000000 45.75334 11.08023 ?        ?        ?              ?        
1 1 1 11 10 9   o 73.79202 7.352409 119.6998       21.92055 119.6998       21.92055 0.000000       0.000000 73.79202 7.352409 ?        ?        ?              ?        
1 1 1 11 10 10  o 29.25729 11.38460 16.53858       19.59969 16.53858       19.59969 0.000000       0.000000 29.25729 11.38460 ?        ?        ?              ?        
1 1 1 11 10 11  o 57.25869 9.318134 76.01625       21.09662 76.01625       21.09662 0.000000       0.000000 57.25869 9.318134 ?        ?        ?              ?        
1 1 1 11 10 12  o 52.22823 10.43549 65.72606       21.53613 65.72606       21.53613 0.000000       0.000000 52.22823 10.43549 ?        ?        ?              ?        
1 1 1 11 10 13  o 42.78709 13.99829 50.38000       28.24652 50.38000       28.24652 0.000000       0.000000 42.78709 13.99829 ?        ?        ?              ?        
1 1 1 11 10 14  f 59.84237 12.77111 94.08000       30.34048 94.08000       30.34048 0.000000       0.000000 59.84237 12.77111 ?        ?        ?              ?        
1 1 1 11 10 15  o 30.43372 11.89977 20.86776       21.49718 20.86776       21.49718 0.000000       0.000000 30.43372 11.89977 ?        ?        ?              ?        
1 1 1 11 10 16  o 64.62897 8.342124 97.55331       21.56199 97.55331       21.56199 0.000000       0.000000 64.62897 8.342124 ?        ?        ?              ?        
1 1 1 11 10 17  o 30.22423 12.59335 19.98000       25.84721 19.98000       25.84721 0.000000       0.000000 30.22423 12.59335 ?        ?        ?              ?        
1 1 1 11 10 18  o 44.29256 11.17868 52.40709       20.27213 52.40709       20.27213 0.000000       0.000000 44.29256 11.17868 ?        ?        ?              ?        
1 1 1 11 10 19  o 34.97183 11.84563 34.01878       20.19125 34.01878       20.19125 0.000000       0.000000 34.97183 11.84563 ?        ?        ?              ?        
1 1 1 11 10 20  o 28.04327 12.57114 9.648000       29.85118 9.648000       29.85118 0.000000       0.000000 28.04327 12.57114 ?        ?        ?              ?        
1 1 1 11 10 21  o 30.49516 13.49888 18.70000       33.31766 18.70000       33.31766 0.000000       0.000000 30.49516 13.49888 ?        ?        ?              ?        
1 1 1 11 10 22  o 20.74173 10.21274 -38.71000      30.64693 -38.71000      30.64693 0.000000       0.000000 20.74173 10.21274 ?        ?        ?              ?        
1 1 1 11 10 23  f 31.00676 12.12828 27.30584       22.33750 27.30584       22.33750 0.000000       0.000000 31.00676 12.12828 ?        ?        ?              ?        
1 1 1 11 10 24  o 20.25277 9.537457 -8.314572      20.41285 -8.314572      20.41285 0.000000       0.000000 20.25277 9.537457 ?        ?        ?              ?        
1 1 1 11 10 25  o 35.01256 12.17255 39.15859       21.35956 39.15859       21.35956 0.000000       0.000000 35.01256 12.17255 ?        ?        ?              ?        
1 1 1 11 11 0   o 60.67310 12.65518 85.78000       30.42141 85.78000       30.42141 0.000000       0.000000 60.67310 12.65518 ?        ?        ?              ?        
1 1 1 11 11 1   o 33.39572 11.82985 26.39798       20.23725 26.39798       20.23725 0.000000       0.000000 33.39572 11.82985 ?        ?        ?              ?        
1 1 1 11 11 2   o 42.85221 11.39801 45.77571       20.34609 45.77571       20.34609 0.000000       0.000000 42.85221 11.39801 ?        ?        ?              ?        
1 1 1 11 11 3   o 58.58287 9.244226 79.69759       21.44059 79.69759       21.44059 0.000000       0.000000 58.58287 9.244226 ?        ?        ?              ?        
1 1 1 11 11 4   o 69.42973 7.997106 108.4901       22.32057 108.4901       22.32057 0.000000       0.000000 69.42973 7.997106 ?        ?        ?              ?        
1 1 1 11 11 5   o 81.04455 9.934161 154.7000       32.27839 154.7000       32.27839 0.000000       0.000000 81.04455 9.934161 ?        ?        ?              ?        
1 1 1 11 11 6   o 74.07188 10.49891 131.7000       30.95232 131.7000       30.95232 0.000000       0.000000 74.07188 10.49891 ?        ?        ?              ?        
1 1 1 11 11 7   o 69.14844 11.66122 119.3000       31.84472 119.3000       31.84472 0.000000       0.000000 69.14844 11.66122 ?        ?        ?              ?        
1 1 1 11 11 8   o 67.28082 8.599730 104.5146       23.15103 104.5146       23.15103 0.000000       0.000000 67.28082 8.599730 ?        ?        ?              ?        
1 1 1 11 11 9   o 94.74350 6.388633 196.9651       24.63968 196.9651       24.63968 0.000000       0.000000 94.74350 6.388633 ?        ?        ?              ?        
1 1 1 11 11 10  o 26.75578 11.29153 10.57741       21.19149 10.57741       21.19149 0.000000       0.000000 26.75578 11.29153 ?        ?        ?              ?        
1 1 1 11 11 11  o 48.37956 11.10270 60.30465       21.52760 60.30465       21.52760 0.000000       0.000000 48.37956 11.10270 ?        ?        ?              ?        
1 1 1 11 11 12  o 30.06928 11.58153 21.58240       20.12926 21.58240       20.12926 0.000000       0.000000 30.06928 11.58153 ?        ?        ?              ?        
1 1 1 11 11 13  o 39.64970 11.75159 43.09231       20.43975 43.09231       20.43975 0.000000       0.000000 39.64970 11.75159 ?        ?        ?              ?        
1 1 1 11 11 14  o 32.26661 11.84414 27.76633       20.50567 27.76633       20.50567 0.000000       0.000000 32.26661 11.84414 ?        ?        ?              ?        
1 1 1 11 11 15  o 32.00900 11.77795 27.41601       20.29697 27.41601       20.29697 0.000000       0.000000 32.00900 11.77795 ?        ?        ?              ?        
1 1 1 11 11 16  o 36.99854 11.97350 38.52401       20.69594 38.52401       20.69594 0.000000       0.000000 36.99854 11.97350 ?        ?        ?              ?        
1 1 1 11 11 17  o 23.28233 10.52739 0.2004856      21.45338 0.2004856      21.45338 0.000000       0.000000 23.28233 10.52739 ?        ?        ?              ?        
1 1 1 11 11 18  o 26.59769 11.28615 12.75335       21.36349 12.75335       21.36349 0.000000       0.000000 26.59769 11.28615 ?        ?        ?              ?        
1 1 1 11 11 19  o 31.17505 11.92720 26.51465       21.25102 26.51465       21.25102 0.000000       0.000000 31.17505 11.92720 ?        ?        ?              ?        
1 1 1 11 11 20  o 26.34891 11.25883 13.67182       21.52094 13.67182       21.52094 0.000000       0.000000 26.34891 11.25883 ?        ?        ?              ?        
1 1 1 11 11 21  o 34.59217 12.35172 37.56043       22.10280 37.56043       22.10280 0.000000       0.000000 34.59217 12.35172 ?        ?        ?              ?        
1 1 1 11 11 22  o 27.03104 11.44534 17.95789       21.89093 17.95789       21.89093 0.000000       0.000000 27.03104 11.44534 ?        ?        ?              ?        
1 1 1 12 0  -37 o 21.04538 13.68104 12.26000       28.30671 12.26000       28.30671 12.26000       28.30671 21.04538 13.68104 21.04538 13.68104 0.000000       0.000000 
1 1 1 12 0  -36 o 35.66192 16.86141 50.77000       27.86483 50.77000       27.86483 50.77000       27.86483 35.66192 16.86141 35.66192 16.86141 0.000000       0.000000 
1 1 1 12 0  -35 o 17.68260 11.99939 -4.498000      26.08197 -4.498000      26.08197 -4.498000      26.08197 17.68260 11.99939 17.68260 11.99939 0.000000       0.000000 
1 1 1 12 0  -34 o 20.99891 13.37388 10.67000       25.32032 10.67000       25.32032 10.67000       25.32032 20.99891 13.37388 20.99891 13.37388 0.000000       0.000000 
1 1 1 12 0  -33 o 17.14481 11.69766 -7.117000      25.49790 -7.117000      25.49790 -7.117000      25.49790 17.14481 11.69766 17.14481 11.69766 0.000000       0.000000 
1 1 1 12 0  -32 o 17.36888 11.80423 -6.625000      25.43539 -6.625000      25.43539 -6.625000      25.43539 17.36888 11.80423 17.36888 11.80423 0.000000       0.000000 
1 1 1 12 0  -31 f 98.93282 8.032466 214.7000       32.03030 214.7000       32.03030 214.7000       32.03030 98.93282 8.032466 98.93282 8.032466 0.000000       0.000000 
1 1 1 12 0  -30 o 58.20732 13.60754 86.55000       28.19062 86.55000       28.19062 86.55000       28.19062 58.20732 13.60754 58.20732 13.60754 0.000000       0.000000 
1 1 1 12 0  -29 o 60.37998 13.31479 90.89000       28.79765 90.89000       28.79765 90.89000       28.79765 60.37998 13.31479 60.37998 13.31479 0.000000       0.000000 
1 1 1 12 0  -28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 0  -27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 0  -26 o 25.87270 15.46665 18.19000       29.08144 18.19000       29.08144 18.19000       29.08144 25.87270 15.46665 25.87270 15.46665 0.000000       0.000000 
1 1 1 12 0  -25 o 63.21429 14.10041 97.11000       31.88366 97.11000       31.88366 97.11000       31.88366 63.21429 14.10041 63.21429 14.10041 0.000000       0.000000 
1 1 1 12 0  -24 o 15.44218 11.02879 -44.39000      31.44491 -44.39000      31.44491 -44.39000      31.44491 15.44218 11.02879 15.44218 11.02879 0.000000       0.000000 
1 1 1 12 0  -23 o 36.34454 18.33431 42.98000       33.75093 42.98000       33.75093 42.98000       33.75093 36.34454 18.33431 36.34454 18.33431 0.000000       0.000000 
1 1 1 12 0  -22 o 52.86945 18.14648 77.39000       35.31338 77.39000       35.31338 77.39000       35.31338 52.86945 18.14648 52.86945 18.14648 0.000000       0.000000 
1 1 1 12 0  -21 o 30.21040 17.71560 24.42000       36.85244 24.42000       36.85244 24.42000       36.85244 30.21040 17.71560 30.21040 17.71560 0.000000       0.000000 
1 1 1 12 0  -20 o 35.73133 19.06723 39.92000       37.95785 39.92000       37.95785 39.92000       37.95785 35.73133 19.06723 35.73133 19.06723 0.000000       0.000000 
1 1 1 12 0  -19 o 78.15936 14.09944 139.1000       40.76555 139.1000       40.76555 139.1000       40.76555 78.15936 14.09944 78.15936 14.09944 0.000000       0.000000 
1 1 1 12 0  -18 o 118.1675 9.387556 293.8000       44.74393 293.8000       44.74393 293.8000       44.74393 118.1675 9.387556 118.1675 9.387556 0.000000       0.000000 
1 1 1 12 0  -17 o 23.99697 15.82224 -6.941000      39.89219 -6.941000      39.89219 -6.941000      39.89219 23.99697 15.82224 23.99697 15.82224 0.000000       0.000000 
1 1 1 12 0  -16 o 112.0141 10.23328 265.2000       45.98899 265.2000       45.98899 265.2000       45.98899 112.0141 10.23328 112.0141 10.23328 0.000000       0.000000 
1 1 1 12 0  -15 o 40.04801 20.15444 49.55000       40.73357 49.55000       40.73357 49.55000       40.73357 40.04801 20.15444 40.04801 20.15444 0.000000       0.000000 
1 1 1 12 0  -14 o 206.1061 7.029934 875.2000       59.17229 875.2000       59.17229 875.2000       59.17229 206.1061 7.029934 206.1061 7.029934 0.000000       0.000000 
1 1 1 12 0  -13 o 18.35988 12.87498 -38.54000      36.69806 -38.54000      36.69806 -38.54000      36.69806 18.35988 12.87498 18.35988 12.87498 0.000000       0.000000 
1 1 1 12 0  -12 o 221.6619 6.812895 1011.000       61.70449 1011.000       61.70449 1011.000       61.70449 221.6619 6.812895 221.6619 6.812895 0.000000       0.000000 
1 1 1 12 0  -11 o 261.8995 6.802824 1410.000       72.84264 1410.000       72.84264 1410.000       72.84264 261.8995 6.802824 261.8995 6.802824 0.000000       0.000000 
1 1 1 12 0  -10 o 70.76120 13.87065 114.2000       35.78065 114.2000       35.78065 114.2000       35.78065 70.76120 13.87065 70.76120 13.87065 0.000000       0.000000 
1 1 1 12 0  -9  o 23.34338 15.03879 0.2469000      33.18238 0.2469000      33.18238 0.2469000      33.18238 23.34338 15.03879 23.34338 15.03879 0.000000       0.000000 
1 1 1 12 0  -8  o 171.8404 6.783936 608.4000       47.56506 608.4000       47.56506 608.4000       47.56506 171.8404 6.783936 171.8404 6.783936 0.000000       0.000000 
1 1 1 12 0  -7  o 277.9480 6.784969 1587.000       77.11712 1587.000       77.11712 1587.000       77.11712 277.9480 6.784969 277.9480 6.784969 0.000000       0.000000 
1 1 1 12 0  -6  o 52.06613 17.13261 71.34000       32.41498 71.34000       32.41498 71.34000       32.41498 52.06613 17.13261 52.06613 17.13261 0.000000       0.000000 
1 1 1 12 0  -5  o 207.3738 6.426375 884.1000       54.45007 884.1000       54.45007 884.1000       54.45007 207.3738 6.426375 207.3738 6.426375 0.000000       0.000000 
1 1 1 12 0  -4  o 220.2416 6.384740 996.8000       57.46983 996.8000       57.46983 996.8000       57.46983 220.2416 6.384740 220.2416 6.384740 0.000000       0.000000 
1 1 1 12 0  -3  o 263.5102 6.546495 1426.000       70.53823 1426.000       70.53823 1426.000       70.53823 263.5102 6.546495 263.5102 6.546495 0.000000       0.000000 
1 1 1 12 0  -2  o 42.96603 17.62627 53.19000       30.60644 53.19000       30.60644 53.19000       30.60644 42.96603 17.62627 42.96603 17.62627 0.000000       0.000000 
1 1 1 12 0  -1  o 308.1034 6.921501 1949.000       87.22200 1949.000       87.22200 1949.000       87.22200 308.1034 6.921501 308.1034 6.921501 0.000000       0.000000 
1 1 1 12 0  0   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 0  1   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 0  2   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 0  3   o 257.6223 6.467494 1363.000       68.12790 1363.000       68.12790 1363.000       68.12790 257.6223 6.467494 257.6223 6.467494 0.000000       0.000000 
1 1 1 12 0  4   o 62.44250 13.34328 90.25000       29.96975 90.25000       29.96975 90.25000       29.96975 62.44250 13.34328 62.44250 13.34328 0.000000       0.000000 
1 1 1 12 0  5   o 28.31928 16.12944 21.45000       29.21103 21.45000       29.21103 21.45000       29.21103 28.31928 16.12944 28.31928 16.12944 0.000000       0.000000 
1 1 1 12 0  6   o 314.1796 6.913160 2027.000       88.83909 2027.000       88.83909 2027.000       88.83909 314.1796 6.913160 314.1796 6.913160 0.000000       0.000000 
1 1 1 12 0  7   o 165.4010 6.402045 563.4000       43.21142 563.4000       43.21142 563.4000       43.21142 165.4010 6.402045 165.4010 6.402045 0.000000       0.000000 
1 1 1 12 0  8   o 230.6361 6.249170 1093.000       58.91863 1093.000       58.91863 1093.000       58.91863 230.6361 6.249170 230.6361 6.249170 0.000000       0.000000 
1 1 1 12 0  9   o 160.8230 6.423498 532.9000       42.14674 532.9000       42.14674 532.9000       42.14674 160.8230 6.423498 160.8230 6.423498 0.000000       0.000000 
1 1 1 12 0  10  o 80.74442 10.07618 140.1000       31.91459 140.1000       31.91459 140.1000       31.91459 80.74442 10.07618 80.74442 10.07618 0.000000       0.000000 
1 1 1 12 0  11  o 17.40491 12.02748 -22.93000      29.00609 -22.93000      29.00609 -22.93000      29.00609 17.40491 12.02748 17.40491 12.02748 0.000000       0.000000 
1 1 1 12 0  12  o 349.7409 7.344694 2514.000       105.0781 2514.000       105.0781 2514.000       105.0781 349.7409 7.344694 349.7409 7.344694 0.000000       0.000000 
1 1 1 12 0  13  o 108.7050 7.890446 246.5000       34.68765 246.5000       34.68765 246.5000       34.68765 108.7050 7.890446 108.7050 7.890446 0.000000       0.000000 
1 1 1 12 0  14  o 164.9249 6.400373 560.7000       43.07500 560.7000       43.07500 560.7000       43.07500 164.9249 6.400373 164.9249 6.400373 0.000000       0.000000 
1 1 1 12 0  15  o 21.93781 14.11302 0.7755000      29.08783 0.7755000      29.08783 0.7755000      29.08783 21.93781 14.11302 21.93781 14.11302 0.000000       0.000000 
1 1 1 12 0  16  o 243.8976 6.324825 1224.000       63.06958 1224.000       63.06958 1224.000       63.06958 243.8976 6.324825 243.8976 6.324825 0.000000       0.000000 
1 1 1 12 0  17  o 41.58871 17.54432 51.06000       30.13448 51.06000       30.13448 51.06000       30.13448 41.58871 17.54432 41.58871 17.54432 0.000000       0.000000 
1 1 1 12 0  18  o 86.01159 9.456517 158.2000       32.28081 158.2000       32.28081 158.2000       32.28081 86.01159 9.456517 86.01159 9.456517 0.000000       0.000000 
1 1 1 12 0  19  o 138.7044 6.644185 398.7000       37.53788 398.7000       37.53788 398.7000       37.53788 138.7044 6.644185 138.7044 6.644185 0.000000       0.000000 
1 1 1 12 0  20  o 29.78753 16.06719 27.03000       27.21711 27.03000       27.21711 27.03000       27.21711 29.78753 16.06719 29.78753 16.06719 0.000000       0.000000 
1 1 1 12 0  21  o 29.38657 12.83224 25.87286       16.04981 25.87286       16.04981 25.87286       16.04981 29.38657 12.83224 29.38657 12.83224 0.000000       0.000000 
1 1 1 12 0  22  o 23.49633 12.11218 17.04340       14.91995 17.04340       14.91995 17.04340       14.91995 23.49633 12.11218 23.49633 12.11218 0.000000       0.000000 
1 1 1 12 0  23  o 98.23965 4.595204 199.8580       18.39240 199.8580       18.39240 199.8580       18.39240 98.23965 4.595204 98.23965 4.595204 0.000000       0.000000 
1 1 1 12 0  24  o 40.39989 9.955709 39.60283       14.25829 39.60283       14.25829 39.60283       14.25829 40.39989 9.955709 40.39989 9.955709 0.000000       0.000000 
1 1 1 12 0  25  o 224.5626 4.049269 1039.034       37.20659 1039.034       37.20659 1039.034       37.20659 224.5626 4.049269 224.5626 4.049269 0.000000       0.000000 
1 1 1 12 0  26  o 19.58418 11.04541 11.23424       13.51895 11.23424       13.51895 11.23424       13.51895 19.58418 11.04541 19.58418 11.04541 0.000000       0.000000 
1 1 1 12 0  27  o 20.07044 11.13817 12.25464       13.47633 12.25464       13.47633 12.25464       13.47633 20.07044 11.13817 20.07044 11.13817 0.000000       0.000000 
1 1 1 12 0  28  o 33.06367 14.68212 35.13000       20.99498 35.13000       20.99498 35.13000       20.99498 33.06367 14.68212 33.06367 14.68212 0.000000       0.000000 
1 1 1 12 0  29  o 164.0444 5.911592 564.9000       39.59198 564.9000       39.59198 564.9000       39.59198 164.0444 5.911592 164.0444 5.911592 0.000000       0.000000 
1 1 1 12 0  30  o 57.80306 8.763719 76.17000       19.33242 76.17000       19.33242 76.17000       19.33242 57.80306 8.763719 57.80306 8.763719 0.000000       0.000000 
1 1 1 12 0  31  f 31.56636 11.39079 28.88853       13.49346 28.88853       13.49346 28.88853       13.49346 31.56636 11.39079 31.56636 11.39079 0.000000       0.000000 
1 1 1 12 0  32  o 35.35526 11.24039 34.70788       14.32104 34.70788       14.32104 34.70788       14.32104 35.35526 11.24039 35.35526 11.24039 0.000000       0.000000 
1 1 1 12 0  33  o 13.91225 9.222928 -1.234125      13.85264 -1.234125      13.85264 -1.234125      13.85264 13.91225 9.222928 13.91225 9.222928 0.000000       0.000000 
1 1 1 12 0  34  o 40.72581 10.75622 43.51555       15.49694 43.51555       15.49694 43.51555       15.49694 40.72581 10.75622 40.72581 10.75622 0.000000       0.000000 
1 1 1 12 0  35  o 14.92575 9.729618 1.377340       14.45646 1.377340       14.45646 1.377340       14.45646 14.92575 9.729618 14.92575 9.729618 0.000000       0.000000 
1 1 1 12 0  36  o 20.01081 13.09350 7.628000       26.53884 7.628000       26.53884 7.628000       26.53884 20.01081 13.09350 20.01081 13.09350 0.000000       0.000000 
1 1 1 12 0  37  o 22.86544 14.33130 19.65000       27.79410 19.65000       27.79410 19.65000       27.79410 22.86544 14.33130 22.86544 14.33130 0.000000       0.000000 
1 1 1 12 1  -36 o 31.89913 11.64999 30.69370       19.80036 -4.816000      27.84223 67.03000       28.16442 23.42306 11.06336 43.92472 13.94320 -20.50166      17.79918 
1 1 1 12 1  -35 o 25.80011 10.87048 13.19786       19.58909 -5.418000      27.61986 32.04000       27.78721 23.80176 11.17274 32.51300 13.25039 -8.711233      17.33214 
1 1 1 12 1  -34 o 30.94810 11.38835 25.35088       18.97689 47.79000       26.80322 2.797000       26.87167 39.15591 13.63438 25.64610 11.66954 13.50981       17.94643 
1 1 1 12 1  -33 o 19.26418 9.131590 -13.77919      19.29110 -15.86000      27.15791 -11.66000      27.40728 22.51451 10.71876 23.28242 10.99078 -0.7679157     15.35217 
1 1 1 12 1  -32 o 27.53487 10.92811 16.74520       18.37103 17.42000       26.17410 16.09000       25.79126 29.29795 12.46444 28.85577 12.32755 0.4421825      17.53086 
1 1 1 12 1  -31 o 73.68492 6.909598 121.9156       20.60438 107.6000       28.62843 137.3000       29.67787 64.91015 11.17417 74.94929 9.913158 -10.03914      14.93763 
1 1 1 12 1  -30 o 16.61999 8.098466 -26.39033      17.80172 -3.751000      24.66397 -51.01000      25.72008 24.58280 11.18345 18.05617 8.972896 6.526630       14.33814 
1 1 1 12 1  -29 o 47.92502 10.23046 55.22332       19.46495 38.56000       28.24256 70.30000       26.86433 38.57257 13.93879 52.24158 12.68662 -13.66902      18.84781 
1 1 1 12 1  -28 o 49.17434 10.09882 57.09080       19.65333 84.59000       29.26838 34.51000       26.52213 58.10537 12.66026 37.55444 13.51584 20.55093       18.51918 
1 1 1 12 1  -27 o 41.06237 11.77925 40.90219       20.83482 42.00000       31.95045 40.09000       27.48168 41.16568 14.83221 40.33467 13.81673 0.8310051      20.27058 
1 1 1 12 1  -26 o 22.61800 10.28164 -8.271096      20.79637 36.79000       32.29332 -40.20000      27.18340 40.04274 14.83451 20.71631 10.07484 19.32642       17.93223 
1 1 1 12 1  -25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 1  -24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 1  -23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 1  -22 o 179.3357 4.893613 666.5661       35.90168 672.4000       52.66129 661.5000       49.07364 178.8570 7.205283 177.6768 6.757491 1.180206       9.878248 
1 1 1 12 1  -21 f 166.4388 5.069201 573.6869       34.50738 600.1000       51.72275 552.5000       46.32399 169.1037 7.488288 162.5080 6.977823 6.595718       10.23545 
1 1 1 12 1  -20 o 42.35113 13.23235 39.13973       25.46164 51.33000       38.64646 29.79000       33.84562 48.58215 16.38844 40.48415 15.14998 8.098000       22.31822 
1 1 1 12 1  -19 o 66.26812 10.27407 94.73597       26.97671 59.72000       40.98615 121.5000       35.83273 52.01669 16.85120 74.54974 12.15697 -22.53304      20.77871 
1 1 1 12 1  -18 o 171.3201 5.289845 605.8544       37.06424 632.9000       56.17260 585.0000       49.32579 174.2427 7.893597 167.7606 7.197325 6.482071       10.68225 
1 1 1 12 1  -17 o 66.38598 11.23980 95.11058       29.46424 86.10000       46.62817 101.1000       38.01583 61.82220 17.58532 67.61639 14.18399 -5.794193      22.59268 
1 1 1 12 1  -16 o 51.52063 13.79011 58.28593       29.66600 18.74000       47.87805 82.93000       37.79565 42.67264 17.39220 61.13855 15.17003 -18.46591      23.07852 
1 1 1 12 1  -15 o 228.0952 5.072058 1069.741       47.37234 1140.000       72.74226 1018.000       62.42437 234.7334 7.578041 222.0118 6.875076 12.72165       10.23198 
1 1 1 12 1  -14 o 167.1253 5.466923 574.9352       37.36155 588.7000       57.21149 564.7000       49.33383 168.5265 8.316377 165.2800 7.307607 3.246552       11.07083 
1 1 1 12 1  -13 o 181.9384 5.216453 680.6215       38.82178 691.7000       58.30843 671.8000       52.03086 182.9332 7.802127 180.4343 7.055952 2.498917       10.51949 
1 1 1 12 1  -12 o 72.51831 9.854677 110.7921       28.50623 92.69000       44.48958 123.4000       37.12917 65.03473 16.64019 76.05030 12.34613 -11.01557      20.72011 
1 1 1 12 1  -11 o 161.8274 5.259581 538.2947       34.80571 551.1000       53.02405 528.6000       46.13687 163.3314 7.952174 160.1084 7.054677 3.223068       10.63041 
1 1 1 12 1  -10 o 114.2204 6.561051 269.1069       30.55698 252.7000       45.96507 282.1000       40.90445 110.0561 10.32014 116.6458 8.625023 -6.589630      13.44977 
1 1 1 12 1  -9  o 189.0353 4.885612 733.7027       37.78525 732.0000       56.28127 735.1000       50.98349 188.4842 7.306137 188.9939 6.598177 -0.5097351     9.844571 
1 1 1 12 1  -8  o 194.4030 4.817103 775.3084       38.34540 727.2000       55.88766 818.1000       52.70900 187.8940 7.277810 199.4319 6.463081 -11.53792      9.733341 
1 1 1 12 1  -7  o 178.0935 4.938889 651.1652       35.98174 660.4000       54.01862 643.8000       48.24173 179.0494 7.383783 176.8809 6.672630 2.168579       9.952098 
1 1 1 12 1  -6  o 63.80611 10.09272 86.02585       25.49295 51.36000       40.43268 108.9000       32.84386 50.64938 16.75667 71.67319 11.58621 -21.02381      20.37220 
1 1 1 12 1  -5  o 289.2455 4.916854 1716.042       58.23422 1724.000       84.99322 1709.000       79.94928 289.6157 7.167007 288.4137 6.769776 1.201996       9.858796 
1 1 1 12 1  -4  o 256.7742 4.798398 1352.187       50.45126 1330.000       73.45577 1372.000       69.41341 254.3099 7.060879 258.3741 6.566319 -4.064255      9.642227 
1 1 1 12 1  -3  o 268.9144 4.836079 1483.056       53.25150 1567.000       80.59023 1418.000       70.94621 276.0545 7.135548 262.6764 6.601276 13.37811       9.720746 
1 1 1 12 1  -2  o 209.8563 4.742224 903.0870       40.75008 876.4000       60.53615 925.2000       55.10466 206.3978 7.173746 212.1822 6.349563 -5.784393      9.580166 
1 1 1 12 1  -1  o 177.3237 4.900918 645.3406       35.55100 614.9000       53.56894 669.3000       47.52530 172.7891 7.589850 180.4295 6.443038 -7.640427      9.955831 
1 1 1 12 1  0   o 43.38373 12.99555 39.40181       24.89269 63.24000       41.02380 25.51000       31.31688 54.89868 16.73484 39.51971 14.61439 15.37897       22.21791 
1 1 1 12 1  1   o 252.8596 4.726527 1311.093       48.93798 1342.000       73.10739 1286.000       65.87393 255.4900 6.994743 250.1790 6.435750 5.311081       9.505014 
1 1 1 12 1  2   o 33.75254 12.98319 15.73061       25.27312 -34.53000      41.10875 46.27000       32.04428 30.17409 13.98474 47.37708 14.85081 -17.20299      20.39901 
1 1 1 12 1  3   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 1  4   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 1  5   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 1  6   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 1  7   o 205.4128 4.547779 865.3395       38.25174 821.0000       55.23561 906.2000       53.02439 199.7629 6.762487 209.9667 6.174088 -10.20380      9.156997 
1 1 1 12 1  8   o 193.3042 4.573572 766.4171       36.20105 766.2000       53.53948 766.6000       49.13559 192.9488 6.787105 193.0791 6.223061 -0.1302795     9.208218 
1 1 1 12 1  9   o 243.2222 4.616541 1213.531       45.97738 1170.000       65.82511 1255.000       64.24728 238.4610 6.748182 247.0460 6.356432 -8.584976      9.270501 
1 1 1 12 1  10  o 308.8096 4.934234 1957.104       62.39286 2083.000       93.48954 1856.000       83.78040 318.1640 7.176085 300.4027 6.811050 17.76126       9.893765 
1 1 1 12 1  11  o 29.00060 11.90526 5.945748       22.63552 -22.29000      35.11473 26.02000       29.60802 29.06663 13.26977 38.98009 14.24447 -9.913458      19.46771 
1 1 1 12 1  12  o 168.3688 4.678959 582.2949       32.22657 613.7000       48.09226 556.7000       43.41612 172.5395 6.820538 164.3774 6.462962 8.162094       9.396255 
1 1 1 12 1  13  o 74.00628 7.979051 114.3210       23.79764 84.07000       36.04329 137.7000       31.68605 62.06006 14.45389 80.95672 9.754888 -18.89666      17.43768 
1 1 1 12 1  14  o 232.3838 4.522519 1108.907       43.03389 1133.000       63.13474 1088.000       58.81305 234.4155 6.583971 229.7881 6.256422 4.627396       9.082482 
1 1 1 12 1  15  o 45.70605 11.82204 45.38470       22.29018 49.44000       34.53855 42.49000       29.18062 48.47408 15.44678 44.97937 14.18177 3.494713       20.96964 
1 1 1 12 1  16  o 120.4536 4.050730 298.3263       19.95075 297.1597       24.36515 300.7000       34.75464 120.0889 4.965693 120.4083 7.080322 -0.3193588     8.648067 
1 1 1 12 1  17  o 55.74980 7.007688 65.30741       15.64456 63.15118       18.86873 70.05000       27.98362 54.42123 8.765047 56.48888 12.43552 -2.067642      15.21408 
1 1 1 12 1  18  o 74.29496 5.326480 114.4139       16.09655 112.1574       19.59245 119.1000       28.23413 73.31437 6.596898 74.86536 9.418137 -1.550995      11.49871 
1 1 1 12 1  19  o 137.9079 3.590081 391.1637       20.25574 385.1466       24.84201 403.1000       34.98869 136.6761 4.444753 139.3892 6.145298 -2.713058      7.584229 
1 1 1 12 1  20  o 33.83381 9.508478 24.87997       13.71669 26.77524       16.73479 21.00000       23.94408 35.25573 10.67646 34.41976 12.76953 0.8359718      16.64475 
1 1 1 12 1  21  f 60.40415 9.104857 78.78000       21.82070 78.78000       21.82070 0.000000       0.000000 60.40415 9.104857 ?        ?        ?              ?        
1 1 1 12 1  22  o 135.2623 3.377259 376.6507       18.70534 382.8653       23.30574 365.4000       31.35801 136.1106 4.186616 132.4005 5.798142 3.710159       7.151658 
1 1 1 12 1  23  o 50.49198 6.234090 54.09086       12.61558 53.34906       16.05017 55.29000       20.40647 49.53137 8.200294 49.67161 10.36856 -0.1402397     13.21938 
1 1 1 12 1  24  o 69.52863 4.705048 100.8730       13.31640 98.48103       16.97539 104.7000       21.47154 68.24734 6.140060 69.79974 7.637014 -1.552399      9.799200 
1 1 1 12 1  25  o 20.07869 7.959285 5.209128       9.734138 11.84952       15.21185 0.6045672      12.66717 26.41249 10.09458 20.08044 8.610314 6.332047       13.26794 
1 1 1 12 1  26  o 64.66380 4.190322 87.32362       11.03540 79.03666       16.61622 93.86327       14.76085 60.52896 6.822900 66.60570 5.460107 -6.076733      8.738691 
1 1 1 12 1  27  o 64.15762 4.092010 86.09556       10.69399 101.5977       16.45341 74.75683       14.07156 68.96913 5.882171 59.08920 5.894361 9.879929       8.327271 
1 1 1 12 1  28  o 16.07662 7.165252 -2.615896      9.550019 -11.78407      14.64917 4.160414       12.59413 17.48036 8.183412 21.13563 8.797254 -3.655272      12.01499 
1 1 1 12 1  29  o 21.35554 8.077869 8.190722       9.678853 -0.9878689     14.70169 15.21224       12.85863 20.41889 9.005917 26.57988 9.428378 -6.160988      13.03844 
1 1 1 12 1  30  o 12.97995 6.225535 -12.09651      9.530833 -13.35262      14.63168 -11.17073      12.56125 16.86922 7.983437 15.82537 7.461453 1.043858       10.92742 
1 1 1 12 1  31  o 25.90181 10.48010 12.41297       17.23696 3.535000       25.27694 20.13000       23.56636 25.99955 11.61778 30.19401 12.24053 -4.194458      16.87612 
1 1 1 12 1  32  o 34.89378 11.46026 33.08596       18.92445 31.90000       27.19174 34.20000       26.35433 33.79074 13.33170 34.58994 13.27011 -0.7992020     18.81038 
1 1 1 12 1  33  o 17.73406 7.748182 0.5827386      10.65147 12.63677       15.34267 -10.63206      14.79894 25.02435 9.968871 17.25525 8.124282 7.769093       12.86011 
1 1 1 12 1  34  o 51.96272 6.802285 61.75709       14.12624 61.54551       16.28560 62.40000       28.38873 50.82072 8.097469 44.53428 13.98071 6.286442       16.15640 
1 1 1 12 1  35  o 52.75654 6.884522 64.58006       14.51772 62.32290       16.61123 71.88000       29.87311 50.52487 8.318439 46.35824 14.30846 4.166630       16.55079 
1 1 1 12 1  36  o 17.24722 7.979764 -5.012411      13.29878 2.874600       15.39021 -28.26000      26.42271 20.66183 9.158842 19.66654 9.642932 0.9952869      13.29927 
1 1 1 12 2  -36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 2  -35 o 25.08535 10.68866 12.63513       19.29913 25.84000       27.57294 -0.4694000E-01 27.02161 29.91722 12.76263 24.07359 11.21861 5.843630       16.99241 
1 1 1 12 2  -34 o 36.43408 11.74611 38.60806       19.92926 17.99000       28.97890 57.11000       27.45153 28.94568 12.70971 41.74827 13.80699 -12.80259      18.76619 
1 1 1 12 2  -33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 2  -32 o 31.57864 11.35047 26.37804       18.69770 26.80000       26.83685 25.98000       26.06512 31.97534 13.02537 31.66563 12.85991 0.3097153      18.30403 
1 1 1 12 2  -31 o 17.77680 8.509654 -16.92430      17.61721 -22.02000      25.23568 -12.08000      24.60528 20.86132 10.03783 22.18721 10.45543 -1.325891      14.49393 
1 1 1 12 2  -30 o 51.71756 9.549691 65.24152       19.47847 51.71000       27.25892 79.36000       27.84383 42.02043 13.75163 53.74237 12.83077 -11.72194      18.80787 
1 1 1 12 2  -29 f 45.54990 10.59279 51.63857       19.38237 32.61000       26.64018 73.04000       28.25242 35.55677 13.41220 51.88163 13.25282 -16.32486      18.85535 
1 1 1 12 2  -28 o 35.32282 11.63704 30.77491       19.50705 37.19000       28.76129 25.31000       26.54595 38.04494 14.01665 33.69900 13.20966 4.345947       19.26036 
1 1 1 12 2  -27 o 25.52014 10.71149 6.996904       18.90624 18.73000       27.87269 -3.002000      25.73054 32.33093 13.23473 25.86277 11.62619 6.468163       17.61608 
1 1 1 12 2  -26 o 29.51310 11.59708 15.59361       20.50297 29.12000       33.74617 7.679000       25.81359 37.14211 14.78837 28.87977 12.33521 8.262346       19.25755 
1 1 1 12 2  -25 o 35.75547 12.05385 29.32063       20.90676 55.72000       34.86642 14.50000       26.12426 46.62460 15.56461 31.33695 12.81863 15.28765       20.16370 
1 1 1 12 2  -24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 2  -23 o 36.81866 12.45831 29.95188       22.33363 17.62000       39.13015 35.91000       27.19891 36.98963 15.45980 39.94757 13.74338 -2.957935      20.68540 
1 1 1 12 2  -22 o 94.14931 6.865375 187.5337       26.28517 233.0000       44.45847 163.1000       32.59152 102.7346 10.72635 86.58520 9.340174 16.14939       14.22299 
1 1 1 12 2  -21 o 95.83604 9.308617 198.0000       36.06944 0.000000       0.000000 198.0000       36.06944 ?        ?        95.83604 9.308617 ?              ?        
1 1 1 12 2  -20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 2  -19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 2  -18 o 66.81526 10.41350 96.67603       27.56190 60.74000       44.96783 118.3000       34.88226 52.50482 17.67795 73.45449 12.01224 -20.94967      21.37296 
1 1 1 12 2  -17 o 119.4092 6.475976 296.3005       31.54563 238.0000       49.75094 335.5000       40.79486 105.1629 11.75433 126.6377 7.906610 -21.47478      14.16611 
1 1 1 12 2  -16 o 75.67346 12.97753 125.2000       38.76554 0.000000       0.000000 125.2000       38.76554 ?        ?        75.67346 12.97753 ?              ?        
1 1 1 12 2  -15 o 231.1523 5.081481 1100.152       48.09645 1049.000       71.23816 1143.000       65.19958 224.7448 7.752637 234.9974 6.782846 -10.25262      10.30099 
1 1 1 12 2  -14 f 56.81617 12.75756 70.70319       28.95152 106.4000       48.91071 51.45000       35.92034 68.82182 17.36055 49.25286 15.75900 19.56895       23.44642 
1 1 1 12 2  -13 o 77.10519 9.581896 125.4163       29.60161 96.52000       47.71206 143.5000       37.74424 65.80172 17.43225 82.04771 11.55424 -16.24599      20.91373 
1 1 1 12 2  -12 o 144.8660 5.834225 432.5576       34.53702 444.4000       54.47855 424.6000       44.65788 146.1339 9.150302 143.1815 7.644764 2.952393       11.92352 
1 1 1 12 2  -11 o 232.4756 5.066698 1110.352       48.23105 1020.000       70.70121 1189.000       65.96304 222.1592 7.784123 240.1608 6.714297 -18.00160      10.27980 
1 1 1 12 2  -10 o 180.7848 5.268778 671.9964       38.96123 632.5000       58.49002 703.5000       52.23758 174.8562 8.191912 184.6963 6.919409 -9.840088      10.72314 
1 1 1 12 2  -9  o 352.9758 5.458834 2559.476       78.89860 2448.000       110.3645 2676.000       112.8354 344.5923 7.821672 360.3370 7.647372 -15.74475      10.93896 
1 1 1 12 2  -8  o 38.47898 13.56839 27.25892       26.59814 19.31000       43.01405 32.18000       33.84438 41.66956 16.66102 42.43060 15.26836 -0.7610435     22.59895 
1 1 1 12 2  -7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 2  -6  o 65.22635 10.56601 90.21699       27.25550 99.22000       45.13573 85.05000       34.19362 67.42741 16.48751 62.71052 13.70028 4.716888       21.43678 
1 1 1 12 2  -5  o 225.8085 4.896333 1046.272       45.27262 1003.000       67.84895 1081.000       60.78261 220.6294 7.521263 229.2427 6.481800 -8.613312      9.928904 
1 1 1 12 2  -4  o 117.2594 6.397156 283.3816       30.59927 264.8000       52.21638 293.1000       37.76268 112.4907 11.49769 119.0725 7.787839 -6.581825      13.88695 
1 1 1 12 2  -3  o 275.1406 6.681535 1556.000       75.27580 0.000000       0.000000 1556.000       75.27580 ?        ?        275.1406 6.681535 ?              ?        
1 1 1 12 2  -2  o 203.7269 6.390903 853.6000       53.24728 0.000000       0.000000 853.6000       53.24728 ?        ?        203.7269 6.390903 ?              ?        
1 1 1 12 2  -1  f 192.4780 6.492432 762.1000       51.09646 0.000000       0.000000 762.1000       51.09646 ?        ?        192.4780 6.492432 ?              ?        
1 1 1 12 2  0   o 230.7691 6.426699 1095.000       60.66901 0.000000       0.000000 1095.000       60.66901 ?        ?        230.7691 6.426699 ?              ?        
1 1 1 12 2  1   f 135.9270 7.193024 381.0000       39.89265 0.000000       0.000000 381.0000       39.89265 ?        ?        135.9270 7.193024 ?              ?        
1 1 1 12 2  2   o 353.7816 7.483534 2575.000       108.4093 0.000000       0.000000 2575.000       108.4093 ?        ?        353.7816 7.483534 ?              ?        
1 1 1 12 2  3   o 36.85905 13.64449 22.19411       27.31050 14.80000       48.06254 25.72000       33.18929 42.50695 17.38727 40.15125 15.00705 2.355701       22.96799 
1 1 1 12 2  4   o 65.00501 10.11317 89.32695       26.04393 87.23000       43.48329 90.50000       32.52267 63.33597 16.57690 64.93713 12.68632 -1.601154      20.87430 
1 1 1 12 2  5   o 128.9234 5.609547 341.9348       29.54223 325.0000       46.61737 353.3000       38.18973 125.1774 9.158270 130.8590 7.154413 -5.681618      11.62151 
1 1 1 12 2  6   o 242.6021 4.689527 1207.553       46.58521 1201.000       69.14765 1213.000       63.03825 241.5286 6.999108 242.8529 6.344664 -1.324265      9.446813 
1 1 1 12 2  7   o 124.1046 5.585943 316.9705       28.31354 309.3000       44.46891 322.2000       36.71798 122.0932 8.957229 124.9134 7.209319 -2.820206      11.49810 
1 1 1 12 2  8   o 109.0763 6.056432 245.2859       26.94409 249.5000       43.69333 242.7000       34.22659 109.3964 9.859818 108.2554 7.773028 1.140991       12.55532 
1 1 1 12 2  9   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 2  10  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 2  11  o 60.31239 9.241962 77.01000       22.09795 77.01000       22.09795 0.000000       0.000000 60.31239 9.241962 ?        ?        ?              ?        
1 1 1 12 2  12  o 255.8199 3.739193 1342.698       39.16846 1336.786       48.33978 1354.000       66.83449 255.1133 4.627509 256.3822 6.366318 -1.268982      7.870441 
1 1 1 12 2  13  o 113.1394 4.270640 263.2557       19.74926 282.0548       24.51529 228.5000       33.33356 117.0012 5.129549 104.8183 7.822822 12.18285       9.354614 
1 1 1 12 2  14  f 48.10505 8.389483 49.35845       15.92475 43.77495       19.49952 60.54000       27.59446 44.86658 10.75405 52.52658 12.92038 -7.660007      16.81029 
1 1 1 12 2  15  o 189.8951 3.549256 740.3289       27.59787 738.3314       34.29393 744.0000       46.49074 189.4945 4.419735 189.7888 5.989845 -0.2942963     7.443944 
1 1 1 12 2  16  o 213.5979 3.539917 937.0446       30.96097 944.1806       38.66924 924.3000       51.67766 214.2237 4.408327 211.4428 5.974769 2.780853       7.425039 
1 1 1 12 2  17  o 67.25608 5.826872 94.19746       15.88876 101.4494       20.21295 82.47000       25.70415 69.51746 7.205218 61.69723 10.55356 7.820236       12.77861 
1 1 1 12 2  18  o 83.07014 4.814571 142.8375       16.30655 147.3235       20.92472 135.9000       26.02153 84.09122 6.118801 80.24232 8.027274 3.848907       10.09341 
1 1 1 12 2  19  o 98.84701 4.211191 201.7733       17.00578 203.7873       22.02461 198.8000       26.76100 99.05481 5.451120 97.46310 6.747249 1.591713       8.674104 
1 1 1 12 2  20  o 84.62025 4.578467 148.3800       15.80514 146.2937       20.41669 151.5000       24.96749 83.66380 5.999515 84.75092 7.264595 -1.087112      9.421705 
1 1 1 12 2  21  o 132.9707 4.217126 365.6711       22.93230 399.6000       32.84505 333.4000       32.03256 138.3928 5.808969 126.2158 6.217163 12.17701       8.508656 
1 1 1 12 2  22  o 113.9997 3.751811 268.6147       17.48949 266.1369       22.61740 272.3000       27.58290 113.0974 4.895480 113.9788 5.930450 -0.8814011     7.689991 
1 1 1 12 2  23  o 50.04897 6.572760 53.64970       13.14476 63.72182       17.86493 41.76000       19.41004 53.94226 8.358315 42.59011 11.03987 11.35216       13.84702 
1 1 1 12 2  24  f 60.88200 5.419873 78.27000       13.37037 86.13797       18.29012 69.24000       19.59428 63.18797 7.197139 55.83872 8.865739 7.349247       11.41929 
1 1 1 12 2  25  o 59.18182 5.357683 74.18429       12.84293 57.80282       17.54377 93.10000       18.85202 50.76810 8.755499 65.55661 7.138047 -14.78851      11.29648 
1 1 1 12 2  26  o 46.90206 6.584148 47.91996       12.29719 41.49456       16.71041 55.51000       18.16181 42.12679 9.862374 49.16674 9.363029 -7.039951      13.59900 
1 1 1 12 2  27  o 23.69247 8.842826 10.58846       11.51545 1.909532       15.71951 20.64000       16.91696 22.14355 9.544545 30.47698 10.81400 -8.333439      14.42363 
1 1 1 12 2  28  o 33.90557 8.605844 26.87973       11.96638 26.96792       16.42630 26.78000       17.46769 33.44177 10.65216 33.33659 11.01325 0.1051826      15.32188 
1 1 1 12 2  29  f 51.41360 5.245564 57.03172       10.88865 32.18638       16.99749 74.32374       14.18029 35.80420 10.74182 58.30347 6.026487 -22.49928      12.31687 
1 1 1 12 2  30  o 24.49511 8.848050 13.11228       11.37873 -16.80000      20.46625 26.49521       13.68955 19.60991 9.327146 32.66636 9.600543 -13.05646      13.38529 
1 1 1 12 2  31  o 34.63914 8.278158 29.03132       11.58117 -4.004000      19.57643 46.81769       14.36441 21.55655 9.866462 44.30044 8.221342 -22.74389      12.84280 
1 1 1 12 2  32  o 23.43356 9.802474 8.335489       15.75196 -6.987000      19.89909 34.05000       25.77850 20.96300 9.720576 34.38137 13.14075 -13.41837      16.34530 
1 1 1 12 2  33  o 40.26401 9.956491 41.85413       16.32211 36.06000       20.49931 51.89000       26.97880 35.70399 11.93481 40.80204 13.69246 -5.098049      18.16378 
1 1 1 12 2  34  o 35.70258 11.81460 37.20883       20.09960 30.24000       28.86328 43.77000       28.00635 32.10780 13.33718 36.47424 13.75323 -4.366440      19.15807 
1 1 1 12 2  35  o 27.66944 11.25015 19.92183       19.97545 2.685000       27.96443 37.88000       28.54357 24.81618 11.51284 33.31622 13.48396 -8.500042      17.73028 
1 1 1 12 2  36  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 3  -35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 3  -34 o 30.98666 11.77082 28.59880       20.60373 24.66000       29.87851 32.17000       28.45008 29.72280 12.98178 31.65554 13.20272 -1.932735      18.51590 
1 1 1 12 3  -33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 3  -32 o 20.37394 9.512300 -8.618960      19.57372 -17.05000      28.20273 -0.7837000     27.18800 22.62635 10.81368 25.03170 11.51975 -2.405350      15.80001 
1 1 1 12 3  -31 o 51.41759 9.769590 66.42467       19.81717 81.50000       29.36695 53.82000       26.85291 52.46070 13.56973 41.89840 13.64478 10.56231       19.24364 
1 1 1 12 3  -30 o 26.04366 10.75172 12.69107       18.59847 -11.39000      27.14080 34.01000       25.53685 23.30383 10.98141 34.52618 13.10697 -11.22235      17.09924 
1 1 1 12 3  -29 o 28.97762 11.12163 19.39935       18.51667 22.42000       26.10359 16.34000       26.27025 31.23072 12.79877 29.47713 12.51194 1.753582       17.89852 
1 1 1 12 3  -28 o 41.18272 10.98388 43.21689       18.86225 5.767000       25.72922 86.73000       27.73393 27.09180 11.93292 57.80042 12.10655 -30.70862      16.99892 
1 1 1 12 3  -27 o 23.35786 10.10444 2.947663       17.74368 -8.325000      25.52424 13.49000       24.68357 24.28715 11.17150 29.36998 12.27719 -5.082823      16.59915 
1 1 1 12 3  -26 o 85.46979 6.051889 157.2070       21.04313 130.0000       30.60568 181.6000       28.97979 74.37054 10.32864 90.38033 7.910288 -16.00979      13.00974 
1 1 1 12 3  -25 o 35.28527 11.67432 29.48725       19.62539 31.86000       31.29926 27.95000       25.19305 37.40712 14.43278 35.18967 13.09014 2.217457       19.48478 
1 1 1 12 3  -24 o 68.57751 8.139019 103.7199       22.40966 106.0000       37.00922 102.4000       28.15872 64.81924 14.32560 66.48672 10.70669 -1.667488      17.88452 
1 1 1 12 3  -23 o 22.51885 10.24205 -8.595334      20.67094 44.18000       37.10775 -32.34000      24.89042 43.11647 15.91477 20.57982 9.919190 22.53665       18.75287 
1 1 1 12 3  -22 o 31.71207 12.15008 18.23286       22.07372 21.94000       39.34452 16.53000       26.66582 37.82145 15.62833 32.62600 13.09324 5.195450       20.38818 
1 1 1 12 3  -21 o 136.0002 5.371466 386.3927       29.85394 362.2000       48.45028 401.2000       37.90458 129.1896 9.219516 137.8037 6.737907 -8.614044      11.41923 
1 1 1 12 3  -20 o 42.68456 12.55894 41.64946       23.41519 94.42000       42.66218 18.90000       28.01128 62.14133 16.49386 34.42120 13.54626 27.72013       21.34358 
1 1 1 12 3  -19 o 47.78136 12.45378 52.11489       24.60994 49.77000       44.17749 53.17000       29.63389 47.87628 17.41428 48.00571 14.12965 -0.1294250     22.42552 
1 1 1 12 3  -18 o 43.09779 13.08206 41.47055       25.10522 49.79000       43.76385 37.39000       30.64978 48.26529 17.36299 42.08597 14.58419 6.179314       22.67536 
1 1 1 12 3  -17 o 69.91296 12.21987 108.3000       33.70951 0.000000       0.000000 108.3000       33.70951 ?        ?        69.91296 12.21987 ?              ?        
1 1 1 12 3  -16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 3  -15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 3  -14 o 127.4469 10.62222 344.5000       54.92954 344.5000       54.92954 0.000000       0.000000 127.4469 10.62222 ?        ?        ?              ?        
1 1 1 12 3  -13 o 181.3752 5.330481 678.5574       39.54552 643.9000       63.78181 700.2000       50.40266 175.5129 8.903988 183.8521 6.706390 -8.339142      11.14705 
1 1 1 12 3  -12 o 173.0315 5.401545 617.2982       38.22394 564.4000       61.55394 650.5000       48.76596 164.3513 9.183090 177.2889 6.729765 -12.93765      11.38503 
1 1 1 12 3  -11 o 172.6124 5.356705 613.8583       37.81535 587.4000       61.31504 630.1000       48.03973 167.9048 8.950592 174.5680 6.733279 -6.663223      11.20045 
1 1 1 12 3  -10 o 49.93259 13.39639 54.40595       27.95594 38.16000       50.88367 61.43000       33.45798 48.46189 18.47677 53.00560 14.83385 -4.543709      23.69460 
1 1 1 12 3  -9  o 150.2188 5.698199 464.9732       34.98632 496.5000       59.60297 448.4000       43.21462 154.3824 9.474200 147.2336 7.189761 7.148727       11.89341 
1 1 1 12 3  -8  o 188.2574 5.201365 728.9641       40.05690 767.8000       65.09874 705.3000       50.81599 192.5388 8.276475 184.8872 6.723462 7.651550       10.66325 
1 1 1 12 3  -7  o 118.7541 6.488695 291.2009       31.43236 291.6000       54.32544 291.0000       38.53819 117.8044 11.40451 118.4542 7.992199 -0.6497498     13.92617 
1 1 1 12 3  -6  o 36.57347 13.53517 22.18386       26.87142 24.55000       48.24985 21.12000       32.35321 44.62622 17.71066 38.21697 14.69243 6.409256       23.01162 
1 1 1 12 3  -5  o 184.2907 5.135044 698.0754       38.71226 654.9000       61.90687 725.8000       49.60821 177.8805 8.524164 187.7050 6.464006 -9.824524      10.69789 
1 1 1 12 3  -4  o 88.59452 7.918180 163.1228       28.42229 180.9000       49.92803 154.6000       34.57051 92.08117 13.65496 85.83831 10.02407 6.242859       16.93930 
1 1 1 12 3  -3  o 252.5588 4.908100 1309.455       50.75752 1276.000       76.31017 1336.000       67.97469 248.7541 7.500394 254.7613 6.521486 -6.007202      9.939099 
1 1 1 12 3  -2  o 157.0547 5.281278 507.1246       33.91535 518.4000       56.29374 500.7000       42.49294 158.2279 8.722401 155.8611 6.673615 2.366821       10.98260 
1 1 1 12 3  -1  o 283.4408 5.060647 1649.423       58.73444 1547.000       85.73572 1740.000       80.62567 273.9041 7.651818 290.7991 6.771047 -16.89505      10.21750 
1 1 1 12 3  0   o 39.15260 13.37387 29.55884       25.74416 83.54000       47.84102 7.556000       30.54349 62.05035 17.86482 33.45846 13.79217 28.59188       22.56936 
1 1 1 12 3  1   o 220.9165 4.878583 1001.793       44.13126 960.9000       68.36935 1031.000       57.78049 215.7988 7.749857 223.8309 6.310597 -8.032089      9.994195 
1 1 1 12 3  2   o 148.4276 5.511478 453.1756       33.43893 511.7000       59.38180 426.0000       40.46450 157.0842 9.273273 143.7084 6.896633 13.37573       11.55669 
1 1 1 12 3  3   o 293.1042 5.022753 1763.863       60.28209 1899.000       94.45718 1671.000       78.30116 303.4786 7.607201 284.9692 6.710361 18.50946       10.14389 
1 1 1 12 3  4   o 247.5543 4.817240 1258.058       48.83072 1287.000       75.24395 1237.000       64.18188 249.8324 7.363300 245.1405 6.399478 4.691971       9.755589 
1 1 1 12 3  5   o 48.80038 8.505575 50.57047       16.37867 31.56419       19.50369 96.04000       30.16675 38.68406 11.48286 67.08620 11.38853 -28.40215      16.17266 
1 1 1 12 3  6   o 112.0599 4.427945 258.1258       20.27780 239.7105       24.60642 297.1000       35.79712 107.8508 5.590954 119.8412 7.329928 -11.99049      9.218819 
1 1 1 12 3  7   o 27.68032 10.41459 11.77998       16.04006 8.412981       19.41905 19.01000       28.45616 28.06285 11.20333 36.01866 13.79646 -7.955812      17.77236 
1 1 1 12 3  8   o 25.90671 10.18761 8.124574       15.83242 17.18488       19.30133 -10.51000      27.68061 31.60922 11.50864 27.29575 12.17998 4.313477       16.75711 
1 1 1 12 3  9   o 77.82084 5.545301 125.2003       17.55458 141.5621       21.74092 94.55000       29.75636 82.63718 6.476787 66.42521 11.34732 16.21198       13.06562 
1 1 1 12 3  10  o 175.2398 4.121166 630.5347       29.57177 639.3000       40.47662 620.5000       43.30845 176.1485 5.618971 173.4368 6.107810 2.711746       8.299288 
1 1 1 12 3  11  o 186.2116 4.095548 712.1396       31.22792 697.7000       42.72570 728.7000       45.75573 183.9635 5.678760 187.9460 5.953004 -3.982452      8.227184 
1 1 1 12 3  12  o 144.7498 4.190649 430.9015       24.81225 411.8000       34.02369 452.6000       36.26289 141.1908 5.898045 148.0098 5.995803 -6.819000      8.410504 
1 1 1 12 3  13  o 130.8904 3.869046 352.2889       20.71377 350.2595       26.46183 355.5000       33.28584 130.3293 4.967631 131.0378 6.221291 -0.7085419     7.961270 
1 1 1 12 3  14  o 69.05585 7.777003 100.3630       21.60866 96.74000       39.59319 101.9000       25.78794 65.62780 15.05429 69.18342 9.341599 -3.555618      17.71714 
1 1 1 12 3  15  o 56.36155 9.127814 68.19642       20.34576 68.19642       20.34576 0.000000       0.000000 56.36155 9.127814 ?        ?        ?              ?        
1 1 1 12 3  16  o 47.79486 10.29933 50.14144       19.56144 50.14144       19.56144 0.000000       0.000000 47.79486 10.29933 ?        ?        ?              ?        
1 1 1 12 3  17  o 152.9278 4.656201 483.2128       29.12302 483.2128       29.12302 0.000000       0.000000 152.9278 4.656201 ?        ?        ?              ?        
1 1 1 12 3  18  o 81.33286 4.893666 137.3059       16.22225 149.9223       21.60502 121.0000       24.56182 84.63779 6.278704 75.43248 8.077653 9.205307       10.23086 
1 1 1 12 3  19  o 116.2115 3.858312 278.8258       18.33447 277.6914       24.38872 280.3000       27.80326 115.5937 5.165697 115.8839 5.878537 -0.2901688     7.825702 
1 1 1 12 3  20  o 65.40849 5.528857 89.70350       14.66936 106.0707       20.36976 72.07000       21.14305 70.63934 7.140228 57.30894 9.330621 13.33041       11.74919 
1 1 1 12 3  21  o 42.20174 8.030694 39.11124       13.37053 44.34676       19.12896 34.11000       18.69605 44.10201 10.70259 38.71368 11.17468 5.388321       15.47317 
1 1 1 12 3  22  o 156.3432 3.501614 505.1209       22.41670 488.5778       29.56306 527.5000       34.38439 153.1139 4.720951 158.7417 5.297302 -5.627762      7.095688 
1 1 1 12 3  23  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 3  24  o 93.70388 4.968707 184.6409       18.99635 164.8000       32.97080 194.5000       23.24170 85.52697 9.578972 95.62975 5.965112 -10.10278      11.28447 
1 1 1 12 3  25  o 28.52721 9.991326 17.52244       14.40553 18.90000       26.75420 16.96000       17.09523 32.38253 13.07297 28.94535 10.78000 3.437183       16.94435 
1 1 1 12 3  26  o 26.14681 9.215765 14.51448       12.26934 -6.673936      17.36644 35.63000       17.33653 20.55397 9.363663 38.33208 10.65970 -17.77811      14.18828 
1 1 1 12 3  27  o 53.83699 5.897950 62.92378       12.78933 58.69733       17.64658 67.60000       18.56180 50.24360 8.903279 54.15651 8.662148 -3.912914      12.42180 
1 1 1 12 3  28  o 43.53462 7.203221 42.98133       12.39197 65.71082       17.17659 18.31000       17.89527 53.38012 8.113457 28.83377 10.96593 24.54635       13.64111 
1 1 1 12 3  29  o 23.00831 9.803677 5.794775       16.23571 5.794775       16.23571 0.000000       0.000000 23.00831 9.803677 ?        ?        ?              ?        
1 1 1 12 3  30  o 22.43731 9.633338 5.251040       15.89422 5.251040       15.89422 0.000000       0.000000 22.43731 9.633338 ?        ?        ?              ?        
1 1 1 12 3  31  o 28.94932 10.64529 20.81823       16.57648 20.81823       16.57648 0.000000       0.000000 28.94932 10.64529 ?        ?        ?              ?        
1 1 1 12 3  32  o 32.01833 10.84579 27.31013       16.92662 27.31013       16.92662 0.000000       0.000000 32.01833 10.84579 ?        ?        ?              ?        
1 1 1 12 3  33  o 22.88860 9.842488 6.977751       16.64092 6.977751       16.64092 0.000000       0.000000 22.88860 9.842488 ?        ?        ?              ?        
1 1 1 12 3  34  o 34.33889 11.04130 34.37605       17.61723 34.37605       17.61723 0.000000       0.000000 34.33889 11.04130 ?        ?        ?              ?        
1 1 1 12 3  35  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 4  -33 o 26.74751 10.35968 18.46822       16.17165 15.26717       18.52085 28.74000       33.17701 25.77090 10.69246 30.66568 13.52698 -4.894775      17.24262 
1 1 1 12 4  -32 o 27.90618 10.35955 20.01880       15.76363 20.42461       18.72091 19.03000       29.22301 28.26368 11.08898 29.06310 12.76214 -0.7994251     16.90673 
1 1 1 12 4  -31 o 34.66743 11.85601 33.93697       20.23341 30.63000       28.41171 37.34000       28.82141 32.89064 13.40065 34.96667 13.74688 -2.076031      19.19776 
1 1 1 12 4  -30 o 42.34575 11.54159 49.20256       20.55560 22.14000       28.30771 79.39000       29.89740 30.75621 13.01854 51.21652 13.90266 -20.46031      19.04642 
1 1 1 12 4  -29 o 33.11502 11.60551 29.74608       19.43819 4.500000       27.11691 56.43000       27.87840 26.26381 11.85935 42.66492 13.90346 -16.40110      18.27431 
1 1 1 12 4  -28 o 29.05820 11.14785 19.93760       18.59873 12.69000       25.56236 28.09000       27.11105 28.11770 12.14570 32.86978 13.19829 -4.752083      17.93636 
1 1 1 12 4  -27 o 22.09888 9.024000 7.065423       12.91891 7.043460       14.95532 7.130000       25.64412 23.05602 9.590723 27.20589 11.95060 -4.149876      15.32315 
1 1 1 12 4  -26 f 28.86450 9.269412 19.44881       12.41929 31.12075       14.22679 -17.93000      25.45940 35.92357 9.520025 22.35319 10.56445 13.57038       14.22106 
1 1 1 12 4  -25 o 48.04331 7.172038 51.37328       13.67770 53.06555       16.24378 47.25000       25.35557 48.06471 8.567699 42.48589 13.19389 5.578823       15.73163 
1 1 1 12 4  -24 o 54.20742 11.91147 72.30000       25.71594 0.000000       0.000000 72.30000       25.71594 ?        ?        54.20742 11.91147 ?              ?        
1 1 1 12 4  -23 o 78.96426 8.597397 139.0000       27.35020 0.000000       0.000000 139.0000       27.35020 ?        ?        78.96426 8.597397 ?              ?        
1 1 1 12 4  -22 o 34.12787 12.78207 24.34000       24.10290 0.000000       0.000000 24.34000       24.10290 ?        ?        34.12787 12.78207 ?              ?        
1 1 1 12 4  -21 o 24.66174 10.81529 -1.004344      20.92538 23.29000       42.90005 -8.589000      23.97028 38.61020 16.16580 24.41445 11.07462 14.19576       19.59542 
1 1 1 12 4  -20 o 59.89782 10.03036 80.55324       23.73192 62.31000       47.13039 86.75000       27.46835 49.91667 18.01051 61.50629 11.32371 -11.58963      21.27451 
1 1 1 12 4  -19 o 52.00024 11.31656 61.84484       23.40993 43.35000       45.94476 68.33000       27.20640 45.27383 17.48152 54.16664 12.51752 -8.892815      21.50097 
1 1 1 12 4  -18 f 50.86522 11.67919 59.02741       23.81093 46.53000       48.34458 63.03000       27.35951 47.02600 17.99013 52.12899 12.89064 -5.102989      22.13173 
1 1 1 12 4  -17 f 90.29427 7.304625 172.4246       26.77700 141.4000       50.43849 184.6000       31.59735 76.90131 16.51131 92.98495 8.388887 -16.08364      18.52017 
1 1 1 12 4  -16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 4  -15 o 74.74717 10.27555 121.1000       30.61886 0.000000       0.000000 121.1000       30.61886 ?        ?        74.74717 10.27555 ?              ?        
1 1 1 12 4  -14 o 40.05982 13.99808 32.49000       28.26611 0.000000       0.000000 32.49000       28.26611 ?        ?        40.05982 13.99808 ?              ?        
1 1 1 12 4  -13 o 39.78503 13.26243 33.00150       25.31650 99.20000       50.22272 10.45000       29.31324 65.12510 18.15537 33.06980 13.55880 32.05530       22.65962 
1 1 1 12 4  -12 f 122.2295 6.179055 310.0168       30.82559 294.0000       56.51469 316.8000       36.77825 116.8982 11.97582 123.2334 7.321501 -6.335205      14.03655 
1 1 1 12 4  -11 o 50.76484 18.70803 49.64000       51.24197 49.64000       51.24197 0.000000       0.000000 50.76484 18.70803 ?        ?        ?              ?        
1 1 1 12 4  -10 o 145.5508 9.895434 445.9000       58.62510 445.9000       58.62510 0.000000       0.000000 145.5508 9.895434 ?        ?        ?              ?        
1 1 1 12 4  -9  o 99.63921 13.52296 214.8000       53.75027 214.8000       53.75027 0.000000       0.000000 99.63921 13.52296 ?        ?        ?              ?        
1 1 1 12 4  -8  o 79.93419 8.587382 134.2471       27.66698 123.8000       51.87578 138.4000       32.70690 74.12528 17.39261 80.78792 10.10767 -6.662636      20.11636 
1 1 1 12 4  -7  o 180.4560 3.780860 668.5343       27.93743 691.0094       34.92514 628.6000       46.55441 183.2766 4.657565 174.3929 6.530937 8.883636       8.021598 
1 1 1 12 4  -6  o 103.8482 4.506513 222.0073       19.11740 227.3789       22.91262 209.7000       34.68208 104.9837 5.347632 100.2089 8.533390 4.774750       10.07055 
1 1 1 12 4  -5  o 109.9726 4.437382 248.8383       19.94082 226.9491       23.89160 299.1000       36.20336 104.8605 5.584419 120.0876 7.398439 -15.22706      9.269446 
1 1 1 12 4  -4  o 51.94048 12.50769 58.84142       26.28199 41.47000       50.48378 65.30000       30.78241 49.27144 18.48942 54.59583 13.77279 -5.324387      23.05533 
1 1 1 12 4  -3  o 142.4848 3.931711 416.9778       22.91708 397.4014       27.92026 457.4000       40.12030 138.9720 4.914189 148.8171 6.600379 -9.845108      8.228867 
1 1 1 12 4  -2  o 91.60148 4.965295 172.9429       18.55434 184.1999       22.54278 149.3000       32.66972 94.42419 5.859288 84.26944 9.641178 10.15475       11.28200 
1 1 1 12 4  -1  o 109.9205 4.403511 248.4982       19.77983 269.9799       24.29835 206.3000       34.05565 114.4816 5.196976 99.49737 8.438494 14.98423       9.910436 
1 1 1 12 4  0   o 240.7701 3.714027 1189.344       36.61610 1229.828       45.96038 1119.000       60.58354 244.6994 4.586974 232.9877 6.356283 11.71175       7.838537 
1 1 1 12 4  1   o 42.91771 9.505095 39.69509       16.26314 33.21856       19.59983 54.01000       29.13906 39.46930 11.45618 49.87044 13.80142 -10.40113      17.93664 
1 1 1 12 4  2   o 154.6708 4.287629 491.5518       27.12881 521.5000       36.18266 453.1000       40.99902 159.1245 5.561695 148.0897 6.779190 11.03484       8.768686 
1 1 1 12 4  3   o 140.8378 3.893397 407.3755       22.43134 428.9624       28.25806 370.6000       36.88308 144.4099 4.785431 133.8966 6.748945 10.51331       8.273368 
1 1 1 12 4  4   o 227.2542 3.649117 1059.651       33.95659 1043.048       41.99657 1091.000       57.70819 225.3308 4.551651 230.0560 6.131503 -4.725174      7.636285 
1 1 1 12 4  5   o 139.3172 3.857598 398.6891       21.98507 400.2638       27.49952 395.9000       36.59883 139.4635 4.822742 138.4158 6.475339 1.047684       8.073961 
1 1 1 12 4  6   o 160.0497 3.733413 525.7526       24.46726 540.2414       30.94783 501.6000       39.95720 162.0606 4.668540 155.8551 6.273904 6.205475       7.820303 
1 1 1 12 4  7   o 97.97294 4.627801 197.7594       18.51297 203.7361       23.50785 188.0000       30.03958 99.26900 5.808669 94.96743 7.793437 4.301575       9.719995 
1 1 1 12 4  8   o 80.87331 5.399075 135.2977       17.77683 130.0535       22.65511 143.7000       28.67644 78.98856 7.079505 82.72943 8.590171 -3.740875      11.13151 
1 1 1 12 4  9   o 206.2034 3.606155 873.0400       30.44841 876.0583       38.50083 868.0000       49.75156 206.3831 4.555873 205.0223 5.932506 1.360809       7.480013 
1 1 1 12 4  10  o 249.5864 3.724056 1279.653       38.05936 1255.036       47.27430 1325.000       64.16235 246.9361 4.675371 253.2251 6.187982 -6.289032      7.755657 
1 1 1 12 4  11  o 44.92133 9.045928 43.63744       16.06293 24.24858       21.09540 70.39000       24.77960 35.12906 12.10281 56.83321 11.04601 -21.70415      16.38574 
1 1 1 12 4  12  f 201.4854 3.578317 834.2346       29.52207 833.0922       37.48736 836.1000       47.90303 201.1180 4.552077 201.0171 5.825912 0.1008453      7.393419 
1 1 1 12 4  13  o 142.0264 3.758966 415.1453       21.84136 413.1085       28.38830 418.1000       34.19163 141.4177 4.909877 141.9947 5.893433 -0.5770111     7.670688 
1 1 1 12 4  14  o 47.41802 8.135101 48.35031       15.22693 45.10479       20.74669 52.14000       22.41862 45.07183 11.27160 48.42474 11.48173 -3.352905      16.08972 
1 1 1 12 4  15  o 85.28825 4.828084 150.7750       16.79234 135.8136       23.01711 167.8000       24.55315 80.36072 7.066821 89.48286 6.750841 -9.122139      9.773116 
1 1 1 12 4  16  o 65.10908 8.427063 90.85000       21.94037 0.000000       0.000000 90.85000       21.94037 ?        ?        65.10908 8.427063 ?              ?        
1 1 1 12 4  17  f 73.75720 7.223588 115.3000       21.53691 0.000000       0.000000 115.3000       21.53691 ?        ?        73.75720 7.223588 ?              ?        
1 1 1 12 4  18  f 43.16181 10.68673 42.10000       18.78634 0.000000       0.000000 42.10000       18.78634 ?        ?        43.16181 10.68673 ?              ?        
1 1 1 12 4  19  o 34.58535 9.190531 26.73261       13.23611 33.43591       19.15738 20.61000       18.30881 38.38264 11.37721 31.84825 11.25486 6.534399       16.00352 
1 1 1 12 4  20  o 53.30948 11.57832 65.91000       24.54891 65.91000       24.54891 0.000000       0.000000 53.30948 11.57832 ?        ?        ?              ?        
1 1 1 12 4  21  o 23.21783 10.22860 -2.084629      18.91330 -2.084629      18.91330 0.000000       0.000000 23.21783 10.22860 ?        ?        ?              ?        
1 1 1 12 4  22  o 24.25707 10.49254 1.488540       19.12966 1.488540       19.12966 0.000000       0.000000 24.25707 10.49254 ?        ?        ?              ?        
1 1 1 12 4  23  o 76.83661 4.249570 123.5732       13.31812 105.8046       17.47423 148.2000       20.57196 70.24438 6.136781 83.24731 6.076912 -13.00293      8.636489 
1 1 1 12 4  24  o 33.15754 8.970928 25.55236       12.47280 22.39978       17.95895 28.49000       17.33595 31.54738 11.14697 34.57970 10.93459 -3.032322      15.61474 
1 1 1 12 4  25  o 23.61023 9.039490 10.07079       12.21230 18.88836       17.56490 1.820000       16.99100 29.58727 10.94431 22.70953 9.855639 6.877743       14.72792 
1 1 1 12 4  26  f 42.00964 7.798661 40.40057       12.92132 29.72034       17.67859 52.65000       18.93282 34.59835 11.05407 46.48736 10.22472 -11.88901      15.05780 
1 1 1 12 4  27  o 23.07935 9.906125 4.738548       16.79800 4.738548       16.79800 0.000000       0.000000 23.07935 9.906125 ?        ?        ?              ?        
1 1 1 12 4  28  o 35.63762 10.89653 33.44586       17.37551 33.44586       17.37551 0.000000       0.000000 35.63762 10.89653 ?        ?        ?              ?        
1 1 1 12 4  29  o 26.14527 10.51805 14.05897       17.25262 14.05897       17.25262 0.000000       0.000000 26.14527 10.51805 ?        ?        ?              ?        
1 1 1 12 4  30  o 26.23945 10.44799 14.61324       16.84509 14.61324       16.84509 0.000000       0.000000 26.23945 10.44799 ?        ?        ?              ?        
1 1 1 12 4  31  o 47.79343 9.383752 57.19900       17.70831 57.19900       17.70831 0.000000       0.000000 47.79343 9.383752 ?        ?        ?              ?        
1 1 1 12 4  32  o 16.01747 7.794189 -20.89310      16.33366 -20.89310      16.33366 0.000000       0.000000 16.01747 7.794189 ?        ?        ?              ?        
1 1 1 12 4  33  o 21.83411 9.707673 3.988021       17.42064 3.988021       17.42064 0.000000       0.000000 21.83411 9.707673 ?        ?        ?              ?        
1 1 1 12 5  -32 o 22.89610 10.57593 0.4160000      23.21947 0.4160000      23.21947 0.000000       0.000000 22.89610 10.57593 ?        ?        ?              ?        
1 1 1 12 5  -31 o 22.26706 10.41592 -5.476000      23.65281 -5.476000      23.65281 0.000000       0.000000 22.26706 10.41592 ?        ?        ?              ?        
1 1 1 12 5  -30 o 22.56055 9.566458 7.018216       15.33116 7.000802       18.01234 7.064000       29.20631 23.58589 10.19183 26.92233 12.21708 -3.336441      15.91007 
1 1 1 12 5  -29 o 80.21075 6.390282 144.3129       20.81489 171.7000       27.66791 108.6000       31.59479 85.48714 7.996887 61.95160 12.87562 23.53553       15.15690 
1 1 1 12 5  -28 o 52.53086 9.092672 67.61881       18.85042 85.50000       24.69228 42.64000       29.18428 57.18515 10.94370 37.06623 14.02540 20.11892       17.78979 
1 1 1 12 5  -27 o 47.97228 9.346243 56.84058       17.69889 56.02000       22.50784 58.17000       28.64873 45.01211 11.99542 43.31374 14.09280 1.698372       18.50667 
1 1 1 12 5  -26 o 15.68740 7.506959 -14.93761      13.68523 -7.857075      15.86548 -35.52000      27.05004 18.78828 8.700847 20.12398 9.844046 -1.335699      13.13811 
1 1 1 12 5  -25 o 58.28035 6.265717 74.80026       14.71804 71.15911       17.24158 84.58000       28.25669 55.83171 7.750468 56.58918 12.52589 -0.7574654     14.72982 
1 1 1 12 5  -24 f 50.69781 7.054577 57.27001       14.24867 60.43023       16.67530 48.72000       27.42828 51.40688 8.196952 42.32779 13.79057 9.079086       16.04275 
1 1 1 12 5  -23 o 89.81292 4.454645 169.8134       16.33123 167.6982       19.32403 175.1000       30.55032 88.71918 5.344092 88.03826 8.583491 0.6809158      10.11116 
1 1 1 12 5  -22 o 49.71620 6.993909 54.38084       13.84473 53.15299       16.14655 57.79000       26.90487 48.40398 8.454041 47.42427 13.31295 0.9797096      15.77040 
1 1 1 12 5  -21 o 25.23856 9.427545 11.94330       13.09401 12.00335       15.31358 11.78000       25.25209 26.16329 10.09514 29.89591 12.45132 -3.732622      16.02957 
1 1 1 12 5  -20 o 88.26074 4.495072 162.9533       16.19184 174.4550       19.47473 137.2000       29.14127 90.98257 5.249729 78.31197 9.267104 12.67061       10.65077 
1 1 1 12 5  -19 o 61.93371 5.657963 81.28689       14.19036 80.56402       16.86405 83.04000       26.26261 61.18264 6.848848 59.90950 11.11490 1.273144       13.05557 
1 1 1 12 5  -18 o 25.74631 9.306635 12.65839       12.59159 9.590171       14.71690 21.04000       24.32412 25.16748 9.844371 33.44241 12.76890 -8.274925      16.12316 
1 1 1 12 5  -17 o 105.4901 4.374648 231.1535       18.85539 258.2000       24.05971 188.1000       30.35561 111.1322 5.302500 93.55608 8.000687 17.57615       9.598307 
1 1 1 12 5  -16 f 15.82762 7.425302 -11.74940      12.16874 -5.785103      14.11125 -29.05000      24.03348 19.11184 8.599081 20.87865 9.979509 -1.766811      13.17326 
1 1 1 12 5  -15 o 36.64095 8.911660 29.74729       13.24022 37.47851       15.53485 9.221000       25.31269 41.04874 9.439590 30.38541 12.54358 10.66334       15.69864 
1 1 1 12 5  -14 o 36.27706 9.079226 29.08153       13.45339 38.67020       15.94902 5.430000       25.04865 41.77026 9.535398 29.24874 12.30612 12.52152       15.56806 
1 1 1 12 5  -13 o 26.10316 9.475454 12.28122       13.07043 10.12673       15.25821 18.22000       25.33257 26.09462 10.07469 33.63674 12.98273 -7.542126      16.43321 
1 1 1 12 5  -12 o 88.40602 4.564741 161.7778       16.46832 166.1786       19.99621 152.5000       29.03382 89.38846 5.489612 84.69716 8.485814 4.691299       10.10668 
1 1 1 12 5  -11 o 51.33084 7.175137 55.96838       14.66965 53.31409       17.61740 61.97000       26.49125 49.58541 9.008594 52.53558 12.49741 -2.950161      15.40584 
1 1 1 12 5  -10 o 84.13822 5.096596 146.7432       17.47658 146.6000       21.81334 147.0000       29.20490 83.80023 6.405551 83.25036 8.695394 0.5498734      10.80004 
1 1 1 12 5  -9  o 150.9924 4.080967 469.5738       25.20833 462.3000       33.04427 479.7000       38.98856 149.4807 5.407580 151.9973 6.277878 -2.516602      8.285751 
1 1 1 12 5  -8  o 37.17065 10.05855 30.10807       15.67878 27.53000       19.48006 34.85000       26.41926 36.22639 11.60668 40.85950 13.54609 -4.633110      17.83849 
1 1 1 12 5  -7  o 81.70502 5.067241 138.1616       16.86950 134.8387       20.56362 145.0000       29.49973 80.47817 6.290113 82.83034 8.833869 -2.352165      10.84448 
1 1 1 12 5  -6  o 64.50674 6.186298 86.81493       16.14028 92.84381       19.67530 74.41000       28.22279 66.48267 7.350097 58.14674 12.24135 8.335922       14.27847 
1 1 1 12 5  -5  o 230.9340 4.558106 1097.566       43.10194 1097.566       43.10194 0.000000       0.000000 230.9340 4.558106 ?        ?        ?              ?        
1 1 1 12 5  -4  o 156.4227 4.702935 504.0858       30.08844 504.0858       30.08844 0.000000       0.000000 156.4227 4.702935 ?        ?        ?              ?        
1 1 1 12 5  -3  f 59.10255 8.466331 74.10930       19.90478 74.10930       19.90478 0.000000       0.000000 59.10255 8.466331 ?        ?        ?              ?        
1 1 1 12 5  -2  o 104.1894 4.433358 223.6515       18.87066 213.7024       23.18053 243.2000       32.49295 101.6516 5.590621 108.0715 7.387077 -6.419899      9.264122 
1 1 1 12 5  -1  o 113.7171 4.269765 266.2219       19.84642 285.6295       24.91118 232.5000       32.83703 117.6443 5.184023 105.6009 7.645798 12.04332       9.237549 
1 1 1 12 5  0   o 67.02238 6.333152 93.60172       17.17446 77.69087       21.23412 123.7000       29.20507 60.46917 8.836755 76.39435 9.543880 -15.92518      13.00669 
1 1 1 12 5  1   o 40.64783 9.779488 35.90944       16.07834 28.75143       19.80185 49.76000       27.54504 37.05384 11.68246 47.65231 13.50304 -10.59847      17.85530 
1 1 1 12 5  2   o 107.5465 5.550800 239.0988       24.36152 239.0988       24.36152 0.000000       0.000000 107.5465 5.550800 ?        ?        ?              ?        
1 1 1 12 5  3   f 116.7568 4.254115 280.6504       20.30435 269.1857       25.19315 301.9000       34.29860 114.1487 5.405334 120.5510 6.978166 -6.402321      8.826802 
1 1 1 12 5  4   o 59.97755 6.955585 75.47323       16.76595 63.88644       20.98174 95.94000       27.88591 54.46174 9.767455 66.81512 10.54173 -12.35338      14.37119 
1 1 1 12 5  5   o 75.03543 5.703386 116.8666       17.39234 108.0886       21.94316 131.7000       28.52464 71.76207 7.582088 78.93077 8.985501 -7.168701      11.75701 
1 1 1 12 5  6   o 101.0098 4.565861 210.4604       18.83590 189.8993       23.77786 245.1000       30.86276 95.65152 6.102778 108.5036 6.983587 -12.85209      9.274394 
1 1 1 12 5  7   o 45.39355 8.958155 44.54108       16.05939 57.14146       21.09706 27.18000       24.76387 51.20423 10.41712 37.37045 13.09905 13.83378       16.73623 
1 1 1 12 5  8   o 64.54813 8.244013 88.32572       21.29282 60.17000       38.53556 100.7000       25.54690 52.04165 16.28169 68.68042 9.324706 -16.63877      18.76282 
1 1 1 12 5  9   o 73.24868 7.043131 112.5503       20.86460 145.9000       38.87836 99.06000       24.72706 81.84465 11.95356 68.11989 9.091713 13.72476       15.01822 
1 1 1 12 5  10  o 61.27204 8.042751 79.80192       19.69189 26.74000       36.73343 101.2000       23.32692 40.41144 15.62389 69.00055 8.431118 -28.58911      17.75359 
1 1 1 12 5  11  o 45.69053 8.265552 45.06979       14.89491 38.63221       20.90327 51.71000       21.22970 41.75708 11.73897 48.29497 10.98423 -6.537888      16.07659 
1 1 1 12 5  12  o 112.5330 3.933537 261.2026       18.09752 248.8530       23.96224 277.6000       27.61147 109.4888 5.361122 115.5033 5.857208 -6.014481      7.940310 
1 1 1 12 5  13  o 63.25705 5.882252 83.84937       15.06162 103.7152       21.61214 65.09000       21.00167 69.88908 7.678351 54.52563 9.765145 15.36345       12.42236 
1 1 1 12 5  14  o 195.5809 3.445602 787.6834       27.59408 801.9273       35.71909 766.6000       43.45675 196.9724 4.428643 192.0000 5.533308 4.972397       7.087339 
1 1 1 12 5  15  o 108.1509 4.889048 243.0349       21.59506 241.3000       39.03613 243.8000       25.92307 105.8901 9.090889 107.9678 5.885909 -2.077652      10.82997 
1 1 1 12 5  16  f 38.97727 8.821099 33.74835       13.74904 23.51911       19.93418 43.03000       18.98844 33.69611 11.75661 43.54010 10.72264 -9.843990      15.91203 
1 1 1 12 5  17  o 96.86837 4.191987 194.7398       16.58812 183.7555       22.88498 206.9000       24.07880 93.42583 6.014124 99.18153 5.956422 -5.755699      8.464553 
1 1 1 12 5  18  o 20.43235 8.701809 1.252165       12.78023 14.65325       19.47292 -8.888000      16.93884 29.38853 11.37198 20.17451 9.212596 9.214022       14.63536 
1 1 1 12 5  19  o 100.2825 4.083825 209.1552       16.73429 208.0841       23.81386 210.2000       23.52058 99.19727 5.889316 99.75849 5.782815 -0.5612183     8.253787 
1 1 1 12 5  20  o 80.78807 4.627379 136.7679       15.24356 143.0922       22.17292 131.1000       20.99089 81.63866 6.691559 78.16057 6.620949 3.478088       9.413497 
1 1 1 12 5  21  o 21.94281 8.911381 5.797843       12.51634 12.48661       19.69465 1.266000       16.21110 28.08780 11.25910 22.39545 9.673091 5.692348       14.84372 
1 1 1 12 5  22  o 34.46728 10.10074 28.05728       15.17181 19.17000       27.89680 31.79000       18.07934 32.60585 13.28090 36.34497 11.11546 -3.739124      17.31865 
1 1 1 12 5  23  o 28.08472 10.15912 16.87107       15.00737 4.365000       27.36536 22.25000       17.94686 28.10567 12.34552 31.29105 11.13470 -3.185377      16.62508 
1 1 1 12 5  24  f 39.88860 14.09024 42.94000       28.69326 42.94000       28.69326 0.000000       0.000000 39.88860 14.09024 ?        ?        ?              ?        
1 1 1 12 5  25  o 48.99305 9.699910 58.12628       18.77048 58.12628       18.77048 0.000000       0.000000 48.99305 9.699910 ?        ?        ?              ?        
1 1 1 12 5  26  o 24.34114 10.23158 8.245747       17.28935 8.245747       17.28935 0.000000       0.000000 24.34114 10.23158 ?        ?        ?              ?        
1 1 1 12 5  27  o 23.62834 10.13542 6.618797       17.56416 6.618797       17.56416 0.000000       0.000000 23.62834 10.13542 ?        ?        ?              ?        
1 1 1 12 5  28  o 16.52143 7.779683 -10.22224      13.57722 -10.22224      13.57722 0.000000       0.000000 16.52143 7.779683 ?        ?        ?              ?        
1 1 1 12 5  29  o 47.92567 9.766953 58.04753       18.51574 58.04753       18.51574 0.000000       0.000000 47.92567 9.766953 ?        ?        ?              ?        
1 1 1 12 5  30  o 29.50634 11.01991 22.61279       17.88938 22.61279       17.88938 0.000000       0.000000 29.50634 11.01991 ?        ?        ?              ?        
1 1 1 12 5  31  o 16.01375 7.857115 -25.61809      17.63316 -25.61809      17.63316 0.000000       0.000000 16.01375 7.857115 ?        ?        ?              ?        
1 1 1 12 5  32  o 36.74430 12.78308 44.84000       23.55791 44.84000       23.55791 0.000000       0.000000 36.74430 12.78308 ?        ?        ?              ?        
1 1 1 12 6  -31 o 35.24818 13.25598 43.71000       25.97993 43.71000       25.97993 0.000000       0.000000 35.24818 13.25598 ?        ?        ?              ?        
1 1 1 12 6  -30 o 20.55481 9.483270 -2.995890      18.59000 -17.40000      24.19780 17.75000       29.04014 20.27496 9.774247 28.08685 12.50793 -7.811886      15.87401 
1 1 1 12 6  -29 o 19.67093 8.964732 -2.547265      15.93711 -13.59395      19.14313 22.40000       28.76791 18.90080 8.998573 29.90456 12.90099 -11.00376      15.72927 
1 1 1 12 6  -28 o 31.19580 10.52514 25.62365       15.94006 36.28026       19.27742 2.586000       28.34381 36.01810 11.54678 25.97882 11.88355 10.03927       16.56946 
1 1 1 12 6  -27 o 17.93527 8.595299 -17.26991      18.08635 -17.26991      18.08635 0.000000       0.000000 17.93527 8.595299 ?        ?        ?              ?        
1 1 1 12 6  -26 o 53.89837 9.091947 71.10838       19.35262 71.10838       19.35262 0.000000       0.000000 53.89837 9.091947 ?        ?        ?              ?        
1 1 1 12 6  -25 o 36.28106 10.03292 33.79623       15.40521 24.31167       18.18419 57.91000       28.99466 30.82558 11.17830 43.21009 14.18508 -12.38451      18.06020 
1 1 1 12 6  -24 o 55.47004 6.949762 69.44804       15.43979 75.83240       18.60000 55.30000       27.68871 57.00623 8.204272 43.41471 13.83002 13.59152       16.08041 
1 1 1 12 6  -23 o 41.62177 8.472640 40.73697       13.94836 43.52967       16.54677 33.88000       25.92791 42.20406 9.768300 35.85577 13.29066 6.348286       16.49428 
1 1 1 12 6  -22 f 29.12831 9.763676 19.61823       13.71823 27.65760       16.22102 -0.5725000     25.70652 33.68996 10.56689 25.97738 11.65382 7.712578       15.73120 
1 1 1 12 6  -21 f 35.73750 9.504789 30.30209       14.14919 22.24501       16.86665 49.44000       25.99483 31.11270 10.81682 43.41622 13.33793 -12.30353      17.17277 
1 1 1 12 6  -20 o 16.00569 7.601007 -14.33302      13.48697 -11.64431      15.93275 -21.13000      25.33244 18.43461 8.598658 22.15767 10.49168 -3.723061      13.56511 
1 1 1 12 6  -19 o 99.38592 4.276577 206.6519       17.36313 196.8013       21.03735 227.7000       30.75166 96.40310 5.350352 102.2091 7.397817 -5.806007      9.129840 
1 1 1 12 6  -18 o 52.97894 6.647940 60.78716       14.10494 65.91399       16.84505 48.76000       25.80059 54.69401 7.737364 44.33514 13.21858 10.35888       15.31658 
1 1 1 12 6  -17 o 32.16032 9.995592 23.33488       14.54938 23.29000       17.98083 23.42000       24.76121 32.57747 11.17554 34.07483 12.91314 -1.497356      17.07752 
1 1 1 12 6  -16 o 36.67559 9.151418 30.50907       13.69806 24.13505       16.32555 45.67000       25.17817 32.91220 10.63299 43.62762 13.07015 -10.71542      16.84901 
1 1 1 12 6  -15 o 110.7890 3.994102 254.6147       18.08961 261.5249       22.35299 241.5000       30.79414 111.9232 4.889225 106.4041 7.108588 5.519089       8.627662 
1 1 1 12 6  -14 o 38.60796 8.811696 33.26888       13.62228 42.98082       16.54385 12.82000       24.00592 43.75809 9.505748 30.67584 12.38356 13.08226       15.61127 
1 1 1 12 6  -13 o 80.32120 4.836670 134.4553       15.83377 133.9930       19.32354 135.4000       27.62259 79.82259 5.954937 79.10205 8.669988 0.7205429      10.51808 
1 1 1 12 6  -12 f 26.05880 9.677656 11.87128       13.75930 12.27427       16.79924 11.05000       23.98212 27.63009 10.59614 30.34225 12.33060 -2.712156      16.25798 
1 1 1 12 6  -11 o 100.1630 4.335813 207.7843       17.74077 199.4570       21.84864 223.9000       30.39479 97.79745 5.477869 102.9433 7.257196 -5.145821      9.092522 
1 1 1 12 6  -10 o 25.41917 9.675935 10.23624       13.94036 -3.224509      16.98984 37.97000       24.38704 22.08290 9.712829 41.30325 12.95674 -19.22035      16.19309 
1 1 1 12 6  -9  o 123.8984 3.923528 316.7694       19.88013 305.4896       24.70354 337.5000       33.48986 121.3789 4.980983 127.0530 6.458490 -5.674080      8.156119 
1 1 1 12 6  -8  o 76.66711 5.156688 122.2198       16.09426 123.3475       19.76396 120.0000       27.72908 76.72094 6.347997 74.71272 9.262139 2.008217       11.22873 
1 1 1 12 6  -7  o 206.8692 3.630175 880.7829       30.75018 896.0027       38.77824 855.0000       50.47184 208.3389 4.545623 202.7718 6.085678 5.567123       7.595931 
1 1 1 12 6  -6  o 49.88240 7.830834 53.29731       15.46857 77.85874       19.35063 9.819000       25.74569 60.44210 8.016087 31.14897 12.73166 29.29313       15.04502 
1 1 1 12 6  -5  o 29.34849 10.20424 16.70412       15.01049 30.16729       18.99306 -5.696000      24.49889 37.32609 11.38849 26.19650 11.58669 11.12959       16.24651 
1 1 1 12 6  -4  o 134.6202 4.304056 373.8321       23.69486 360.9000       32.01340 389.5000       35.23730 131.8205 5.946260 136.8341 6.305988 -5.013550      8.667381 
1 1 1 12 6  -3  o 77.44142 8.780680 127.5000       27.35280 0.000000       0.000000 127.5000       27.35280 ?        ?        77.44142 8.780680 ?              ?        
1 1 1 12 6  -2  o 67.26930 6.630941 94.88460       18.02763 97.52000       24.33650 91.68000       26.83624 67.54921 9.024148 65.01139 10.43398 2.537819       13.79504 
1 1 1 12 6  -1  o 92.53610 4.783751 177.1044       18.06456 173.2337       23.32970 182.9000       28.54708 91.18175 6.287001 93.35684 7.531656 -2.175095      9.810822 
1 1 1 12 6  0   o 80.34663 7.058598 135.3187       22.98679 176.8000       44.05433 119.8000       26.94570 90.01910 12.27083 75.02328 8.947547 14.99582       15.18657 
1 1 1 12 6  1   o 63.91354 16.24870 94.22000       42.61074 94.22000       42.61074 0.000000       0.000000 63.91354 16.24870 ?        ?        ?              ?        
1 1 1 12 6  2   o 44.26307 16.58450 36.32000       40.58438 36.32000       40.58438 0.000000       0.000000 44.26307 16.58450 ?        ?        ?              ?        
1 1 1 12 6  3   o 46.22957 16.67048 43.08000       40.37093 43.08000       40.37093 0.000000       0.000000 46.22957 16.67048 ?        ?        ?              ?        
1 1 1 12 6  4   o 189.0950 3.629219 735.4736       28.10073 751.0964       35.38579 708.8000       46.23696 190.8474 4.528124 184.7513 6.120362 6.096008       7.613326 
1 1 1 12 6  5   o 53.69235 7.207330 61.14611       15.44585 64.47338       20.67123 56.94000       23.24144 54.47675 9.618387 50.60556 11.48060 3.871189       14.97723 
1 1 1 12 6  6   o 58.00247 6.660097 70.91523       15.53134 56.26243       20.82517 89.28000       23.31423 50.54043 10.40968 64.45513 9.085361 -13.91470      13.81684 
1 1 1 12 6  7   o 69.23120 5.706965 100.0517       16.03470 109.3984       21.86221 89.17000       23.58911 71.92077 7.535349 64.32890 9.218450 7.591866       11.90635 
1 1 1 12 6  8   o 129.4864 3.770312 345.6211       19.96931 348.4231       26.29041 341.8000       30.70172 129.6904 4.959824 128.1524 5.866312 1.538071       7.682022 
1 1 1 12 6  9   o 132.4064 3.754329 361.4883       20.33419 357.1299       26.61477 367.6000       31.51642 131.2595 4.960778 132.8722 5.806685 -1.612656      7.637206 
1 1 1 12 6  10  o 72.98118 5.278356 111.0599       15.66713 86.19103       21.29581 140.4000       23.13115 63.31661 8.422673 81.57948 6.991916 -18.26286      10.94661 
1 1 1 12 6  11  o 50.47020 7.170146 54.51228       14.40146 66.34021       20.42572 42.82000       20.30826 55.00638 9.406381 43.51113 11.29937 11.49525       14.70224 
1 1 1 12 6  12  f 35.97393 9.323667 28.79865       13.84555 50.30822       20.34991 10.26000       18.89235 47.21494 10.76559 27.76854 11.06210 19.44640       15.43593 
1 1 1 12 6  13  o 33.65290 9.433054 25.19864       13.51844 34.06078       20.17680 17.98000       18.21004 38.79760 11.71759 30.64804 11.17555 8.149557       16.19243 
1 1 1 12 6  14  o 136.4569 3.651738 384.9170       20.38586 378.4330       27.36699 393.0000       30.55578 134.7539 4.968274 137.0799 5.454604 -2.326004      7.378106 
1 1 1 12 6  15  o 38.54596 8.664224 33.26017       13.34155 32.09025       20.23420 34.16000       17.74543 37.49581 11.80763 38.56439 10.80692 -1.068581      16.00655 
1 1 1 12 6  16  o 29.58393 9.340206 19.22555       12.65351 10.91783       19.82127 24.94000       16.43909 27.98534 11.26842 33.36044 10.65961 -5.375095      15.51143 
1 1 1 12 6  17  o 61.67880 5.657902 80.73486       14.13041 63.28502       20.46623 96.63000       19.53324 52.68764 9.848478 66.80163 7.257565 -14.11399      12.23376 
1 1 1 12 6  18  o 82.51620 4.541338 142.6659       15.28515 143.1777       22.14246 142.2000       21.12625 81.59312 6.686062 81.48472 6.382620 0.1084061      9.243444 
1 1 1 12 6  19  o 24.60371 9.382518 10.75724       13.12273 -12.01543      20.10169 27.67000       17.32339 21.13452 9.789623 34.35994 10.93855 -13.22542      14.67953 
1 1 1 12 6  20  o 56.56505 6.257934 69.32452       14.25240 36.95465       19.95962 103.0000       20.35817 38.78241 11.64136 68.37970 7.388050 -29.59729      13.78784 
1 1 1 12 6  21  f 16.06501 7.905633 -33.49989      18.28006 -33.49989      18.28006 0.000000       0.000000 16.06501 7.905633 ?        ?        ?              ?        
1 1 1 12 6  22  f 26.16848 10.71686 10.54309       18.28625 10.54309       18.28625 0.000000       0.000000 26.16848 10.71686 ?        ?        ?              ?        
1 1 1 12 6  23  o 45.69608 10.53863 52.09442       19.31661 52.09442       19.31661 0.000000       0.000000 45.69608 10.53863 ?        ?        ?              ?        
1 1 1 12 6  24  o 30.77682 11.30178 23.29026       18.67368 23.29026       18.67368 0.000000       0.000000 30.77682 11.30178 ?        ?        ?              ?        
1 1 1 12 6  25  o 24.94954 10.55666 9.313959       18.60194 9.313959       18.60194 0.000000       0.000000 24.94954 10.55666 ?        ?        ?              ?        
1 1 1 12 6  26  o 18.54586 8.817810 -14.56602      18.25840 -14.56602      18.25840 0.000000       0.000000 18.54586 8.817810 ?        ?        ?              ?        
1 1 1 12 6  27  o 27.47528 11.06077 16.52695       19.09327 16.52695       19.09327 0.000000       0.000000 27.47528 11.06077 ?        ?        ?              ?        
1 1 1 12 6  28  o 27.90702 12.52253 10.33000       29.70176 10.33000       29.70176 0.000000       0.000000 27.90702 12.52253 ?        ?        ?              ?        
1 1 1 12 6  29  o 28.61299 12.80842 15.64000       30.87018 15.64000       30.87018 0.000000       0.000000 28.61299 12.80842 ?        ?        ?              ?        
1 1 1 12 6  30  o 23.77197 11.27196 -5.946000      29.43961 -5.946000      29.43961 0.000000       0.000000 23.77197 11.27196 ?        ?        ?              ?        
1 1 1 12 6  31  o 15.50857 7.713126 -34.63065      19.15920 -34.63065      19.15920 0.000000       0.000000 15.50857 7.713126 ?        ?        ?              ?        
1 1 1 12 7  -29 o 38.41373 10.57146 41.95925       17.14982 42.42924       20.82908 40.97000       30.21885 36.73798 12.02072 33.59631 13.76976 3.141666       18.27851 
1 1 1 12 7  -28 o 21.76828 9.541454 4.850791       16.26763 -3.469417      19.70632 22.65000       28.82298 21.00156 9.715719 29.37900 12.79233 -8.377441      16.06359 
1 1 1 12 7  -27 o 19.42123 8.907187 -3.934543      16.06373 -23.87695      19.48774 38.34000       28.37345 17.42244 8.485866 34.65458 13.63494 -17.23214      16.05993 
1 1 1 12 7  -26 o 55.42226 8.941017 75.18784       19.60028 82.78000       26.14751 65.45000       29.61276 54.73213 11.99868 45.17402 14.29200 9.558109       18.66091 
1 1 1 12 7  -25 o 79.28333 6.467861 141.1582       20.81518 138.0000       28.09729 145.0000       30.98892 74.96588 9.356401 75.63416 10.27126 -0.6682739     13.89392 
1 1 1 12 7  -24 o 40.46572 9.783575 41.73379       16.03075 28.19547       19.73941 67.96000       27.47385 32.35975 11.65842 47.71517 13.47353 -15.35542      17.81726 
1 1 1 12 7  -23 o 48.00013 8.511634 55.24102       16.11688 61.48105       19.91292 43.39000       27.44223 49.15535 10.22669 37.91140 13.73436 11.24396       17.12361 
1 1 1 12 7  -22 o 33.62681 10.17450 28.67455       15.20272 29.76861       18.54125 26.43000       26.55733 33.74726 11.35137 32.57532 13.06875 1.171940       17.31028 
1 1 1 12 7  -21 o 68.71539 7.077994 105.8037       19.63083 105.8037       19.63083 0.000000       0.000000 68.71539 7.077994 ?        ?        ?              ?        
1 1 1 12 7  -20 o 28.77617 12.87120 4.003000       31.10691 4.003000       31.10691 0.000000       0.000000 28.77617 12.87120 ?        ?        ?              ?        
1 1 1 12 7  -19 o 40.31046 8.997434 38.14736       14.47445 47.76618       17.65401 18.42000       25.28233 44.67221 9.910542 31.17603 12.66376 13.49618       16.08072 
1 1 1 12 7  -18 o 45.68344 8.035383 47.27801       14.48254 50.81279       17.90066 40.58000       24.64110 46.42590 9.728226 39.85537 13.07646 6.570526       16.29823 
1 1 1 12 7  -17 o 55.58746 7.365290 68.23000       16.35238 71.98000       21.12966 62.63000       25.82089 55.78787 9.595644 49.92062 12.62553 5.867256       15.85813 
1 1 1 12 7  -16 o 35.31659 9.381028 28.96619       13.79403 45.85798       17.36880 0.1144000      22.69961 44.34064 9.824932 25.48175 11.21664 18.85889       14.91115 
1 1 1 12 7  -15 o 63.42693 5.760881 85.71833       14.79886 72.18033       18.68557 108.5000       24.23940 57.00734 8.243906 69.81476 8.665003 -12.80742      11.96011 
1 1 1 12 7  -14 o 25.62479 9.495216 12.27190       13.23180 11.23269       16.69045 14.03000       21.70884 26.59947 10.46002 29.67702 11.84621 -3.077549      15.80332 
1 1 1 12 7  -13 o 31.16373 9.590015 21.71673       13.43146 28.40485       17.06257 10.82000       21.77913 35.21605 10.80371 28.70797 11.71903 6.508078       15.93913 
1 1 1 12 7  -12 o 27.68569 9.665777 15.63424       13.47559 15.18934       17.16002 16.35000       21.76542 28.71423 10.77875 30.82427 11.99633 -2.110033      16.12741 
1 1 1 12 7  -11 o 53.25928 6.689917 60.82500       14.26842 54.80398       18.15942 70.54000       23.06686 49.50931 9.298949 55.75732 10.48812 -6.248013      14.01682 
1 1 1 12 7  -10 o 43.65138 8.236325 41.98631       14.18201 42.53858       18.45596 41.19000       22.16146 43.16791 10.53533 42.12518 12.16841 1.042736       16.09545 
1 1 1 12 7  -9  o 58.50671 8.790713 74.90685       20.40926 72.76000       41.08893 75.61000       23.51523 54.11873 16.79397 58.14833 10.25058 -4.029598      19.67516 
1 1 1 12 7  -8  o 33.53459 11.38791 23.79158       18.66199 51.98000       39.08957 15.47000       21.23873 47.27170 16.46508 30.69264 11.87645 16.57905       20.30146 
1 1 1 12 7  -7  o 19.51880 9.116616 -15.50246      18.00789 -41.82000      39.40430 -8.555000      20.24575 26.97402 12.86127 22.63553 10.23165 4.338493       16.43468 
1 1 1 12 7  -6  o 101.2772 5.536097 214.1309       22.87100 219.3000       42.33138 212.0000       27.17942 100.0754 10.48575 100.3436 6.652506 -0.2681580     12.41800 
1 1 1 12 7  -5  o 45.17546 8.184635 44.45356       14.58271 33.77694       19.61723 57.64000       21.80140 38.84909 11.51231 50.66167 10.83727 -11.81258      15.81074 
1 1 1 12 7  -4  o 162.4847 3.593474 544.1025       23.90845 527.2687       30.52928 570.8000       38.44692 159.5215 4.678885 165.5180 5.681149 -5.996460      7.359852 
1 1 1 12 7  -3  o 131.0512 3.775131 354.4074       20.23692 337.2397       26.01802 380.7000       32.19840 127.4584 4.994855 135.1011 5.834127 -7.642670      7.680209 
1 1 1 12 7  -2  o 126.3937 3.816301 329.6936       19.72852 337.4727       25.54687 318.2000       31.05284 127.5504 4.900498 123.3813 6.166037 4.169113       7.876223 
1 1 1 12 7  -1  f 98.39149 4.315507 200.3635       17.34427 193.0283       22.50216 211.1000       27.22385 96.17120 5.740314 100.2607 6.669145 -4.089539      8.799357 
1 1 1 12 7  0   o 23.82675 9.542871 6.592661       14.13560 -6.116309      18.66164 23.70000       21.65139 22.36322 9.988392 34.49960 12.23471 -12.13638      15.79418 
1 1 1 12 7  1   f 81.81970 5.504688 139.6689       18.33497 130.7000       26.03046 148.5000       25.82984 78.23035 8.250196 83.68019 7.621883 -5.449844      11.23205 
1 1 1 12 7  2   o 150.4444 3.651375 466.4081       22.49348 453.4780       28.67272 487.1000       36.27160 147.9438 4.739237 152.8873 5.804440 -4.943542      7.493457 
1 1 1 12 7  3   o 44.01075 9.268744 42.75349       16.17478 33.29000       23.94960 50.69000       21.93246 39.11610 12.89459 47.35437 11.44023 -8.238270      17.23802 
1 1 1 12 7  4   o 93.63024 5.085208 182.3720       19.42299 209.8000       29.05055 160.2000       26.11922 99.69124 7.164382 86.95728 7.405906 12.73396       10.30416 
1 1 1 12 7  5   o 94.64436 5.085305 186.4127       19.63534 193.6000       29.50624 180.7000       26.30568 95.51758 7.606875 92.51373 6.995997 3.003853       10.33482 
1 1 1 12 7  6   o 84.43200 4.875403 148.3252       16.78383 156.9906       23.02482 138.5000       24.51726 86.32158 6.563266 80.69567 7.505949 5.625908       9.970743 
1 1 1 12 7  7   o 119.7125 3.910957 296.2989       19.14537 300.9087       25.55369 290.4000       28.90654 120.1920 5.204563 117.7329 6.016116 2.459091       7.954944 
1 1 1 12 7  8   o 134.4017 3.722667 373.2310       20.46750 401.5815       27.47853 337.9000       30.67544 138.9852 4.835737 126.9934 5.915345 11.99181       7.640396 
1 1 1 12 7  9   o 31.56414 11.62755 19.00046       19.79132 19.00046       19.79132 0.000000       0.000000 31.56414 11.62755 ?        ?        ?              ?        
1 1 1 12 7  10  o 64.01250 8.175183 88.93491       20.93988 88.93491       20.93988 0.000000       0.000000 64.01250 8.175183 ?        ?        ?              ?        
1 1 1 12 7  11  o 105.1331 5.596384 232.1305       24.00513 232.1305       24.00513 0.000000       0.000000 105.1331 5.596384 ?        ?        ?              ?        
1 1 1 12 7  12  o 107.9766 3.950830 241.9629       17.43852 252.6580       23.90617 229.8000       25.49391 109.7364 5.336281 104.3125 5.993880 5.423920       8.025117 
1 1 1 12 7  13  o 53.65534 6.492092 61.84702       13.97365 38.06480       20.24172 83.50000       19.31435 40.21667 11.63314 61.86296 7.797607 -21.64629      14.00474 
1 1 1 12 7  14  o 85.42899 4.576919 152.7070       15.95198 116.4150       21.75643 194.9000       23.45864 73.29610 7.348062 95.81977 6.009183 -22.52367      9.492328 
1 1 1 12 7  15  o 24.06198 9.341578 9.408100       13.17289 -9.505151      19.63440 24.89000       17.76424 21.53096 9.864606 33.14756 11.11060 -11.61659      14.85785 
1 1 1 12 7  16  o 18.74897 8.341760 -2.931542      12.88585 6.810123       19.75960 -10.14000      16.99741 26.07001 10.94695 19.61769 9.056995 6.452320       14.20791 
1 1 1 12 7  17  o 60.85516 5.848690 79.51200       14.39481 64.36439       19.84822 96.32000       20.90776 52.72425 9.544936 65.83179 7.914726 -13.10755      12.39954 
1 1 1 12 7  18  o 38.22992 11.42219 36.01917       19.24897 36.01917       19.24897 0.000000       0.000000 38.22992 11.42219 ?        ?        ?              ?        
1 1 1 12 7  19  o 49.04793 10.39416 58.07783       20.22592 58.07783       20.22592 0.000000       0.000000 49.04793 10.39416 ?        ?        ?              ?        
1 1 1 12 7  20  o 61.20614 8.404884 85.99560       20.50881 85.99560       20.50881 0.000000       0.000000 61.20614 8.404884 ?        ?        ?              ?        
1 1 1 12 7  21  o 20.07489 9.370900 -10.99941      18.98151 -10.99941      18.98151 0.000000       0.000000 20.07489 9.370900 ?        ?        ?              ?        
1 1 1 12 7  22  o 38.19189 11.43568 38.83345       19.27849 38.83345       19.27849 0.000000       0.000000 38.19189 11.43568 ?        ?        ?              ?        
1 1 1 12 7  23  o 35.24203 11.37356 33.56914       18.68200 33.56914       18.68200 0.000000       0.000000 35.24203 11.37356 ?        ?        ?              ?        
1 1 1 12 7  24  o 18.44386 8.825817 -17.11368      18.91384 -17.11368      18.91384 0.000000       0.000000 18.44386 8.825817 ?        ?        ?              ?        
1 1 1 12 7  25  o 26.56379 10.92040 14.03490       19.08028 14.03490       19.08028 0.000000       0.000000 26.56379 10.92040 ?        ?        ?              ?        
1 1 1 12 7  26  o 31.50303 11.66696 26.71132       19.97178 26.71132       19.97178 0.000000       0.000000 31.50303 11.66696 ?        ?        ?              ?        
1 1 1 12 7  27  o 27.19818 11.95143 12.96000       25.66831 12.96000       25.66831 0.000000       0.000000 27.19818 11.95143 ?        ?        ?              ?        
1 1 1 12 7  28  o 19.77913 9.661469 -26.28000      25.78239 -26.28000      25.78239 0.000000       0.000000 19.77913 9.661469 ?        ?        ?              ?        
1 1 1 12 7  29  o 27.52141 11.38163 19.94124       20.89085 19.94124       20.89085 0.000000       0.000000 27.52141 11.38163 ?        ?        ?              ?        
1 1 1 12 8  -27 o 35.25046 10.78629 36.07537       17.02158 37.58811       20.73576 32.95000       29.80490 34.54615 11.99446 31.45820 13.33891 3.087946       17.93860 
1 1 1 12 8  -26 o 21.84599 9.616027 4.586656       16.68254 -3.789598      20.44801 21.26000       28.84945 21.23520 9.849195 29.03569 12.71719 -7.800489      16.08519 
1 1 1 12 8  -25 o 65.96882 6.732860 99.97710       17.93236 105.8950       21.87148 87.84000       31.32226 66.19169 8.248023 52.16825 14.25875 14.02344       16.47245 
1 1 1 12 8  -24 o 29.52340 10.69423 22.39284       16.63732 8.723793       20.22754 50.98000       29.25226 24.98997 10.79946 39.60263 14.20167 -14.61267      17.84141 
1 1 1 12 8  -23 o 23.88035 9.960161 9.153618       16.19223 5.331799       19.84753 16.76000       28.00016 23.99789 10.52835 29.26291 12.67600 -5.265017      16.47808 
1 1 1 12 8  -22 o 37.49948 10.45556 37.01627       16.65518 47.11115       20.52072 17.53000       28.51060 41.31195 11.63713 29.59760 12.80604 11.71435       17.30368 
1 1 1 12 8  -21 o 23.17097 9.752081 7.522130       15.73827 11.80744       19.55877 -0.3490000     26.50751 25.99759 10.90222 25.10319 11.48646 0.8943958      15.83658 
1 1 1 12 8  -20 o 29.32713 11.00616 20.83562       17.88947 34.85000       24.71450 5.411000       25.92819 35.18573 12.98794 26.37336 11.77692 8.812368       17.53233 
1 1 1 12 8  -19 o 24.61553 10.30926 8.663825       17.45443 7.422000       24.78843 9.885000       24.58146 26.84002 11.77093 27.42245 11.87787 -0.5824242     16.72240 
1 1 1 12 8  -18 o 24.14228 10.48596 4.208425       19.26612 6.092000       33.31535 3.262000       23.61543 29.43195 13.23007 25.67591 11.36520 3.756031       17.44140 
1 1 1 12 8  -17 o 27.51076 12.63024 -4.803000      32.41176 -4.803000      32.41176 0.000000       0.000000 27.51076 12.63024 ?        ?        ?              ?        
1 1 1 12 8  -16 o 16.89969 8.288336 -32.93708      19.55807 -84.76000      33.34879 -5.768000      24.14663 18.91174 9.515937 24.23883 11.04193 -5.327087      14.57660 
1 1 1 12 8  -15 o 41.22118 15.26459 45.31000       34.18638 45.31000       34.18638 0.000000       0.000000 41.22118 15.26459 ?        ?        ?              ?        
1 1 1 12 8  -14 o 41.73829 11.43877 42.86943       20.12683 42.86943       20.12683 0.000000       0.000000 41.73829 11.43877 ?        ?        ?              ?        
1 1 1 12 8  -13 o 49.73736 7.670273 55.05096       15.11971 63.25941       19.87328 43.77000       23.29766 52.26105 9.641954 41.85469 12.58028 10.40636       15.85026 
1 1 1 12 8  -12 o 75.08842 5.339946 119.5320       16.31139 115.7145       21.42115 124.8000       25.16376 72.82162 7.281405 74.95201 8.340220 -2.130394      11.07150 
1 1 1 12 8  -11 o 91.32346 4.638632 174.8876       17.28908 166.9552       22.50946 186.3000       26.99930 88.37031 6.261171 92.77808 7.162354 -4.407768      9.513232 
1 1 1 12 8  -10 o 57.16763 6.628040 70.51813       15.22810 85.08445       20.47840 52.50000       22.77591 62.03558 8.267407 46.73251 11.87876 15.30308       14.47256 
1 1 1 12 8  -9  o 32.61891 9.897350 24.14308       14.37172 23.28101       19.02090 25.29000       21.93947 32.75180 11.48012 34.19863 12.29475 -1.446835      16.82124 
1 1 1 12 8  -8  o 61.31004 6.096104 80.13150       15.10158 71.08792       19.69662 93.03000       23.52292 56.52956 8.795184 64.61336 9.146258 -8.083797      12.68894 
1 1 1 12 8  -7  o 23.55320 9.458792 7.079172       13.92677 -1.066710      18.54682 17.61000       21.08781 23.31631 10.20480 31.00743 11.87676 -7.691122      15.65872 
1 1 1 12 8  -6  o 68.27403 5.503230 98.30975       15.25476 108.0603       20.18715 85.33000       23.29125 70.96176 7.040189 61.82167 9.504723 9.140087       11.82810 
1 1 1 12 8  -5  o 87.07092 4.668491 158.2540       16.58377 162.5045       21.86725 152.5000       25.44272 87.63377 6.132649 84.23339 7.453417 3.400375       9.652089 
1 1 1 12 8  -4  o 124.6391 3.829457 321.8446       19.52092 313.1340       25.32381 334.6000       30.64444 122.4014 5.063573 126.0460 5.954258 -3.644608      7.816198 
1 1 1 12 8  -3  o 54.96059 6.673387 64.67998       14.71098 52.32468       19.69855 80.26000       22.12033 47.93769 10.33961 60.18975 9.272526 -12.25206      13.88839 
1 1 1 12 8  -2  o 28.80573 9.871917 17.18095       14.02969 16.65856       19.59858 17.73000       20.09259 30.34934 11.49132 30.96329 11.65482 -0.6139545     16.36720 
1 1 1 12 8  -1  o 65.62459 5.647874 90.78623       15.02916 96.05403       20.44275 84.59000       22.17119 66.75591 7.614695 61.99028 8.997140 4.765633       11.78695 
1 1 1 12 8  0   o 72.04668 5.288479 108.9247       15.49290 112.0197       20.83912 105.1000       23.16562 72.36656 7.124921 69.55268 8.297477 2.813881       10.93676 
1 1 1 12 8  1   o 118.3111 5.188358 292.5911       25.07393 292.5911       25.07393 0.000000       0.000000 118.3111 5.188358 ?        ?        ?              ?        
1 1 1 12 8  2   o 70.55470 5.399655 104.6152       15.48118 109.4217       21.13431 99.05000       22.74128 71.41073 7.331720 67.42133 8.420535 3.989403       11.16510 
1 1 1 12 8  3   o 47.57382 7.600374 49.31766       14.30764 44.07592       19.85476 54.98000       20.63596 43.67667 11.08484 49.06173 10.58335 -5.385052      15.32583 
1 1 1 12 8  4   o 89.49875 4.544887 166.9403       16.60123 161.4418       22.50814 173.5000       24.58439 87.28461 6.340877 90.32848 6.694345 -3.043877      9.220682 
1 1 1 12 8  5   o 76.63226 4.998032 123.0342       15.59764 121.7980       21.17694 124.5000       23.05994 75.46310 6.930709 76.02660 7.505235 -0.5634995     10.21584 
1 1 1 12 8  6   o 88.61369 4.505036 163.7547       16.29281 159.4413       22.09058 168.9000       24.12689 86.70306 6.264502 89.04879 6.665169 -2.345726      9.147047 
1 1 1 12 8  7   o 108.3232 4.032399 243.7930       17.85463 244.1207       24.17759 243.4000       26.47965 107.7249 5.499359 107.2634 6.053443 0.4614792      8.178454 
1 1 1 12 8  8   o 66.42838 5.560811 93.35312       14.98705 97.48194       21.15120 89.19000       21.23886 66.84457 7.878778 63.66939 8.347450 3.175175       11.47846 
1 1 1 12 8  9   o 69.84525 5.413932 103.0827       15.36286 94.98569       21.22082 112.0000       22.26986 65.81833 8.040660 71.71993 7.703837 -5.901604      11.13559 
1 1 1 12 8  10  o 90.94834 4.499559 173.0232       16.70470 147.0087       23.18614 201.1000       24.08767 82.61883 6.917133 97.23392 6.080395 -14.61510      9.209665 
1 1 1 12 8  11  o 69.18181 6.225375 102.5481       17.44684 52.63000       29.08705 130.6000       21.80477 45.53828 14.12974 77.74161 6.922044 -32.20333      15.73417 
1 1 1 12 8  12  o 67.79632 6.262714 98.80737       17.18932 76.82000       29.68410 109.9000       21.08409 55.32090 13.27407 70.90088 7.369783 -15.57998      15.18271 
1 1 1 12 8  13  o 54.72886 7.753162 66.55936       16.88896 29.33000       29.02350 85.62000       20.76709 36.18716 13.91488 61.76442 8.431192 -25.57727      16.26987 
1 1 1 12 8  14  o 34.56246 11.88053 28.36388       20.32392 28.36388       20.32392 0.000000       0.000000 34.56246 11.88053 ?        ?        ?              ?        
1 1 1 12 8  15  o 24.81265 10.64943 4.410353       19.41124 4.410353       19.41124 0.000000       0.000000 24.81265 10.64943 ?        ?        ?              ?        
1 1 1 12 8  16  o 34.54213 11.73984 29.23799       19.83369 29.23799       19.83369 0.000000       0.000000 34.54213 11.73984 ?        ?        ?              ?        
1 1 1 12 8  17  o 65.81483 8.031195 98.34076       21.19580 98.34076       21.19580 0.000000       0.000000 65.81483 8.031195 ?        ?        ?              ?        
1 1 1 12 8  18  o 23.26785 10.29872 0.9979798      19.38871 0.9979798      19.38871 0.000000       0.000000 23.26785 10.29872 ?        ?        ?              ?        
1 1 1 12 8  19  o 32.03788 11.78498 25.86161       20.31865 25.86161       20.31865 0.000000       0.000000 32.03788 11.78498 ?        ?        ?              ?        
1 1 1 12 8  20  o 43.81691 13.20167 55.89000       25.63357 55.89000       25.63357 0.000000       0.000000 43.81691 13.20167 ?        ?        ?              ?        
1 1 1 12 8  21  o 30.84887 12.58291 23.36000       25.08397 23.36000       25.08397 0.000000       0.000000 30.84887 12.58291 ?        ?        ?              ?        
1 1 1 12 8  22  o 24.11237 10.54861 5.695210       19.79850 5.695210       19.79850 0.000000       0.000000 24.11237 10.54861 ?        ?        ?              ?        
1 1 1 12 8  23  o 18.18919 8.730941 -18.18987      18.82919 -18.18987      18.82919 0.000000       0.000000 18.18919 8.730941 ?        ?        ?              ?        
1 1 1 12 8  24  o 22.48255 10.10062 0.8938837      19.38851 0.8938837      19.38851 0.000000       0.000000 22.48255 10.10062 ?        ?        ?              ?        
1 1 1 12 8  25  o 28.36224 11.37605 20.06134       20.11870 20.06134       20.11870 0.000000       0.000000 28.36224 11.37605 ?        ?        ?              ?        
1 1 1 12 8  26  o 20.31725 9.542917 -7.724711      20.20288 -7.724711      20.20288 0.000000       0.000000 20.31725 9.542917 ?        ?        ?              ?        
1 1 1 12 8  27  o 21.44750 9.888565 -1.301740      20.16502 -1.301740      20.16502 0.000000       0.000000 21.44750 9.888565 ?        ?        ?              ?        
1 1 1 12 9  -25 o 23.18459 10.60607 3.019526       22.58231 -2.866000      34.10394 7.615000       30.13541 25.03689 11.94524 25.88312 11.98822 -0.8462353     16.92354 
1 1 1 12 9  -24 o 22.62903 10.41303 0.5663101E-01  22.20746 22.84000       33.39822 -18.00000      29.73259 29.55045 13.26793 22.14783 10.71562 7.402628       17.05469 
1 1 1 12 9  -23 o 27.17225 11.52180 16.19460       22.23833 64.15000       34.21554 -18.88000      29.26179 41.12652 15.26337 22.21620 10.71964 18.91032       18.65157 
1 1 1 12 9  -22 o 18.60825 8.905446 -16.30803      19.26801 -0.9200000     25.92416 -35.30000      28.80039 24.36257 11.22520 20.34562 9.994427 4.016953       15.02976 
1 1 1 12 9  -21 o 48.94476 8.931515 58.78051       17.24075 73.75732       21.28521 30.21000       29.39864 53.83919 10.02382 32.91217 13.54542 20.92702       16.85098 
1 1 1 12 9  -20 o 21.03366 9.345779 0.7444208      16.11979 16.93847       19.80714 -31.02000      27.74051 27.77514 11.23565 20.65089 10.07296 7.124252       15.08988 
1 1 1 12 9  -19 o 28.45383 10.53656 19.82540       16.28838 25.41914       20.33923 9.823000       27.19788 31.15135 11.72602 27.44730 12.17060 3.704050       16.90039 
1 1 1 12 9  -18 o 31.36674 10.69166 25.55204       16.45182 26.13685       20.48664 24.49000       27.60786 31.54313 11.79032 31.46006 13.05391 0.8306694E-01  17.59023 
1 1 1 12 9  -17 o 26.07719 10.40813 13.79947       16.75622 11.31275       20.26167 19.18000       29.80396 26.18744 11.04579 30.57324 13.15982 -4.385805      17.18110 
1 1 1 12 9  -16 o 20.45223 9.117243 -0.9193467     15.47005 8.614463       19.84690 -15.68000      24.69518 25.43286 10.83809 21.88772 10.36238 3.545139       14.99477 
1 1 1 12 9  -15 o 48.10530 8.395723 54.25703       15.93644 66.54025       20.73520 36.53000       24.90980 51.98645 10.10486 36.60927 13.10795 15.37717       16.55073 
1 1 1 12 9  -14 o 26.95363 10.63016 14.10552       17.28210 32.78000       25.70399 -1.301000      23.34686 35.53260 13.22134 24.53066 11.04693 11.00194       17.22900 
1 1 1 12 9  -13 o 68.02829 6.879695 102.3000       18.90076 73.92000       27.53119 127.6000       25.99440 53.05585 12.81743 74.49100 8.684929 -21.43515      15.48272 
1 1 1 12 9  -12 o 27.04692 10.59265 13.72140       17.05680 10.82000       26.22012 15.85000       22.45835 29.10461 12.43163 29.49993 11.95290 -0.3953114     17.24578 
1 1 1 12 9  -11 o 33.51877 10.01549 26.81722       14.79923 14.05017       19.91854 42.55000       22.11133 28.25179 11.32357 40.89005 12.24791 -12.63826      16.68036 
1 1 1 12 9  -10 o 45.62011 8.334239 47.48055       14.99500 57.59529       19.86052 34.07000       22.86843 49.19726 10.19417 37.06864 12.60592 12.12862       16.21204 
1 1 1 12 9  -9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12 9  -8  o 91.88062 6.162950 181.2989       23.05250 181.2989       23.05250 0.000000       0.000000 91.88062 6.162950 ?        ?        ?              ?        
1 1 1 12 9  -7  o 87.56573 6.236261 164.6716       22.21423 164.6716       22.21423 0.000000       0.000000 87.56573 6.236261 ?        ?        ?              ?        
1 1 1 12 9  -6  o 73.00526 5.272542 112.9925       15.65535 124.9217       21.47424 99.46000       22.87181 75.82247 6.995470 66.63350 8.581736 9.188972       11.07171 
1 1 1 12 9  -5  o 68.53512 5.635751 100.0376       15.67612 113.7066       21.57129 84.74000       22.82016 72.11768 7.410136 60.97241 9.445555 11.14528       12.00536 
1 1 1 12 9  -4  o 86.74220 4.665534 157.9725       16.51031 163.0089       22.68497 152.3000       24.07519 87.17876 6.399409 83.82949 7.079847 3.349274       9.543410 
1 1 1 12 9  -3  o 80.16896 4.883574 135.2521       15.95524 129.5604       21.81401 141.8000       23.39733 77.39217 6.957766 80.87749 7.138227 -3.485313      9.968189 
1 1 1 12 9  -2  o 26.35644 9.692154 13.50498       13.74118 29.53119       19.83454 -1.286000      19.05483 35.59252 11.73470 23.31260 10.26872 12.27991       15.59326 
1 1 1 12 9  -1  o 128.9916 3.819672 345.9339       20.15270 330.6624       26.41556 367.2000       31.17178 125.3247 5.158555 131.6051 5.798718 -6.280403      7.761174 
1 1 1 12 9  0   o 23.49230 9.482773 7.169307       14.07520 0.6932849      19.76689 13.83000       20.04674 24.29280 10.58547 28.83935 11.42530 -4.546553      15.57529 
1 1 1 12 9  1   o 30.92340 10.00545 21.48406       14.45205 18.56071       19.83815 24.79000       21.09639 30.65211 11.57135 33.58918 12.05861 -2.937065      16.71246 
1 1 1 12 9  2   o 22.99748 9.389309 6.164360       13.98308 -4.123526      19.91907 16.16000       19.63412 23.02253 10.29854 29.58887 11.42716 -6.566336      15.38311 
1 1 1 12 9  3   o 91.19447 4.631480 174.4168       17.23806 149.6176       23.46339 203.5000       25.40931 83.20922 6.949855 97.49310 6.400340 -14.28388      9.448007 
1 1 1 12 9  4   o 19.77836 8.785042 -2.857432      14.23135 14.61686       20.36980 -19.52000      19.89106 29.16924 11.52930 19.54040 9.265440 9.628847       14.79098 
1 1 1 12 9  5   o 53.21958 7.062868 61.96075       15.01175 57.33459       21.21484 66.60000       21.24482 49.16259 10.83140 53.57151 10.05406 -4.408920      14.77848 
1 1 1 12 9  6   o 75.61829 5.256864 121.1635       16.17579 111.0887       22.37215 132.2000       23.41556 70.95852 7.829826 77.72142 7.448712 -6.762901      10.80692 
1 1 1 12 9  7   o 34.14949 9.800900 27.30628       14.42072 6.210611       20.47781 48.06000       20.31117 26.11509 11.06418 44.58492 11.15427 -18.46983      15.71095 
1 1 1 12 9  8   o 19.29469 8.631653 -3.523131      13.99569 -5.347306      20.45363 -1.917000      19.19232 22.79072 10.29460 22.99548 10.20867 -0.2047615     14.49812 
1 1 1 12 9  9   o 29.85398 11.66070 17.18060       20.62412 17.18060       20.62412 0.000000       0.000000 29.85398 11.66070 ?        ?        ?              ?        
1 1 1 12 9  10  o 46.93866 11.27141 54.11356       21.39008 54.11356       21.39008 0.000000       0.000000 46.93866 11.27141 ?        ?        ?              ?        
1 1 1 12 9  11  o 33.83806 12.09333 27.18431       21.19257 27.18431       21.19257 0.000000       0.000000 33.83806 12.09333 ?        ?        ?              ?        
1 1 1 12 9  12  o 49.09744 14.43790 66.79000       30.95279 66.79000       30.95279 0.000000       0.000000 49.09744 14.43790 ?        ?        ?              ?        
1 1 1 12 9  13  o 79.86320 10.17873 152.2000       32.53086 152.2000       32.53086 0.000000       0.000000 79.86320 10.17873 ?        ?        ?              ?        
1 1 1 12 9  14  o 27.46916 12.32761 2.601000       28.79427 2.601000       28.79427 0.000000       0.000000 27.46916 12.32761 ?        ?        ?              ?        
1 1 1 12 9  15  o 35.75589 12.03839 33.76265       20.85333 33.76265       20.85333 0.000000       0.000000 35.75589 12.03839 ?        ?        ?              ?        
1 1 1 12 9  16  o 25.53451 10.91668 8.477925       20.25230 8.477925       20.25230 0.000000       0.000000 25.53451 10.91668 ?        ?        ?              ?        
1 1 1 12 9  17  o 20.70340 9.609449 -7.927150      19.51801 -7.927150      19.51801 0.000000       0.000000 20.70340 9.609449 ?        ?        ?              ?        
1 1 1 12 9  18  o 35.88577 14.06193 38.87000       30.07298 38.87000       30.07298 0.000000       0.000000 35.88577 14.06193 ?        ?        ?              ?        
1 1 1 12 9  19  o 31.38863 13.31294 23.86000       29.70230 23.86000       29.70230 0.000000       0.000000 31.38863 13.31294 ?        ?        ?              ?        
1 1 1 12 9  20  o 31.83729 13.51793 25.26000       30.68061 25.26000       30.68061 0.000000       0.000000 31.83729 13.51793 ?        ?        ?              ?        
1 1 1 12 9  21  o 22.78615 10.94867 -20.09000      29.78155 -20.09000      29.78155 0.000000       0.000000 22.78615 10.94867 ?        ?        ?              ?        
1 1 1 12 9  22  o 23.18168 11.11604 -17.05000      30.34787 -17.05000      30.34787 0.000000       0.000000 23.18168 11.11604 ?        ?        ?              ?        
1 1 1 12 9  23  o 21.88590 10.06662 -2.185333      20.72255 -2.185333      20.72255 0.000000       0.000000 21.88590 10.06662 ?        ?        ?              ?        
1 1 1 12 9  24  o 28.21221 11.53998 21.20687       21.17141 21.20687       21.17141 0.000000       0.000000 28.21221 11.53998 ?        ?        ?              ?        
1 1 1 12 9  25  o 29.27032 11.70502 25.06734       21.23316 25.06734       21.23316 0.000000       0.000000 29.27032 11.70502 ?        ?        ?              ?        
1 1 1 12 10 -22 o 28.01651 10.82965 21.56337       17.64612 24.03801       21.35737 16.24000       31.32458 28.98418 11.68763 27.76186 12.61940 1.222317       17.20029 
1 1 1 12 10 -21 o 24.45839 10.30707 11.75269       17.61633 1.248733       21.40532 33.80000       31.01152 22.67551 10.35526 32.11535 13.61140 -9.439833      17.10268 
1 1 1 12 10 -20 o 40.29691 10.60536 44.51896       17.73393 64.52141       21.59543 3.098000       31.07637 48.24970 11.15377 26.12682 12.12626 22.12288       16.47583 
1 1 1 12 10 -19 o 20.24633 9.215154 -2.512781      16.77185 1.755491       20.71734 -10.63000      28.57009 23.09850 10.40374 23.51418 11.13635 -0.4156876     15.23995 
1 1 1 12 10 -18 o 20.21086 9.594910 -14.18633      21.45665 -13.01000      31.53814 -15.20000      29.27648 24.35855 11.58366 23.27688 11.09496 1.081671       16.03993 
1 1 1 12 10 -17 o 26.59159 10.42463 15.67908       16.53376 19.44283       20.34930 8.368000       28.36156 28.76242 11.47322 27.36508 12.26134 1.397343       16.79212 
1 1 1 12 10 -16 o 19.87165 9.056860 -3.667751      16.27010 -25.35170      20.05765 38.05000       27.82091 17.74072 8.633727 35.64128 13.64418 -17.90056      16.14636 
1 1 1 12 10 -15 o 51.47801 10.37670 68.11151       21.11657 68.11151       21.11657 0.000000       0.000000 51.47801 10.37670 ?        ?        ?              ?        
1 1 1 12 10 -14 o 38.91279 9.981375 38.85293       15.97992 32.29951       20.13329 50.01000       26.26974 34.29085 11.82320 40.67411 13.50846 -6.383259      17.95178 
1 1 1 12 10 -13 o 50.18539 8.336543 59.86441       16.53039 39.32548       20.97057 93.57000       26.86409 37.60130 12.04207 59.64996 11.41429 -22.04866      16.59209 
1 1 1 12 10 -12 o 39.90567 9.915922 40.15409       16.13147 41.96755       20.46696 37.18000       26.21061 39.30411 11.78619 36.15734 13.37014 3.146774       17.82344 
1 1 1 12 10 -11 o 63.73160 6.506761 90.40229       16.74226 79.13257       21.88624 106.3000       25.99452 56.93209 9.738116 65.90462 9.941538 -8.972530      13.91636 
1 1 1 12 10 -10 o 79.52773 5.386532 136.6582       17.43742 123.2251       22.84732 155.4000       26.98685 73.53943 7.701447 82.18864 8.125119 -8.649216      11.19508 
1 1 1 12 10 -9  o 60.51807 6.714090 81.40496       16.35820 63.19334       22.00517 103.9000       24.45648 50.01807 11.04018 66.24957 9.268722 -16.23150      14.41509 
1 1 1 12 10 -8  o 31.87363 10.23897 24.70572       15.15239 26.09178       20.80490 23.14000       22.11225 32.73352 11.94385 31.68488 12.15537 1.048641       17.04138 
1 1 1 12 10 -7  o 56.64923 7.985157 73.05134       18.00937 96.68000       28.11511 56.61000       23.45248 62.27990 11.44639 46.71974 12.14762 15.56016       16.69086 
1 1 1 12 10 -6  o 26.90670 10.55532 13.67262       16.96068 -3.788000      28.01087 23.78000       21.31160 26.16860 11.91003 32.08729 12.01890 -5.918694      16.92048 
1 1 1 12 10 -5  o 20.30371 9.173998 -4.466571      16.25756 -20.29000      26.17155 5.476000       20.74572 22.41386 10.62796 25.53166 10.98444 -3.117800      15.28435 
1 1 1 12 10 -4  o 34.07335 10.17862 28.04611       15.28671 24.85280       20.91301 31.71000       22.40097 32.63577 11.96423 35.67854 12.46184 -3.042763      17.27543 
1 1 1 12 10 -3  o 34.20298 10.01921 28.11631       14.93050 24.13445       19.99905 33.13000       22.44118 32.27870 11.72033 36.38162 12.48479 -4.102921      17.12414 
1 1 1 12 10 -2  o 35.44854 9.987672 30.22461       15.11402 23.17234       20.16265 39.27000       22.83478 31.91809 11.73987 39.16662 12.56819 -7.248524      17.19837 
1 1 1 12 10 -1  o 19.74195 9.322988 -16.51139      19.75501 -16.51139      19.75501 0.000000       0.000000 19.74195 9.322988 ?        ?        ?              ?        
1 1 1 12 10 0   o 25.06320 11.51222 -8.333000      26.97304 -8.333000      26.97304 0.000000       0.000000 25.06320 11.51222 ?        ?        ?              ?        
1 1 1 12 10 1   o 61.69010 8.645634 86.93314       21.24049 86.93314       21.24049 0.000000       0.000000 61.69010 8.645634 ?        ?        ?              ?        
1 1 1 12 10 2   o 23.87921 9.669037 8.286118       14.68482 9.532021       20.05507 6.846000       21.56161 26.65171 11.09792 26.39817 11.27439 0.2535400      15.82011 
1 1 1 12 10 3   o 66.84014 8.111545 100.8170       21.74679 100.8170       21.74679 0.000000       0.000000 66.84014 8.111545 ?        ?        ?              ?        
1 1 1 12 10 4   o 58.00117 13.26297 88.07000       30.81231 88.07000       30.81231 0.000000       0.000000 58.00117 13.26297 ?        ?        ?              ?        
1 1 1 12 10 5   o 54.31409 13.67430 78.99000       30.38718 78.99000       30.38718 0.000000       0.000000 54.31409 13.67430 ?        ?        ?              ?        
1 1 1 12 10 6   o 26.08710 11.84791 -3.282000      27.53812 -3.282000      27.53812 0.000000       0.000000 26.08710 11.84791 ?        ?        ?              ?        
1 1 1 12 10 7   o 83.42570 6.954566 153.8216       23.54125 153.8216       23.54125 0.000000       0.000000 83.42570 6.954566 ?        ?        ?              ?        
1 1 1 12 10 8   o 85.58694 6.757037 161.6982       23.48838 161.6982       23.48838 0.000000       0.000000 85.58694 6.757037 ?        ?        ?              ?        
1 1 1 12 10 9   o 37.73002 12.26676 37.74616       21.70776 37.74616       21.70776 0.000000       0.000000 37.73002 12.26676 ?        ?        ?              ?        
1 1 1 12 10 10  o 40.01817 12.34539 43.35572       22.24175 43.35572       22.24175 0.000000       0.000000 40.01817 12.34539 ?        ?        ?              ?        
1 1 1 12 10 11  o 37.93865 12.19843 39.14087       21.50341 39.14087       21.50341 0.000000       0.000000 37.93865 12.19843 ?        ?        ?              ?        
1 1 1 12 10 12  o 61.99895 8.815271 91.65514       21.74927 91.65514       21.74927 0.000000       0.000000 61.99895 8.815271 ?        ?        ?              ?        
1 1 1 12 10 13  o 27.66137 11.19059 16.13904       19.65049 16.13904       19.65049 0.000000       0.000000 27.66137 11.19059 ?        ?        ?              ?        
1 1 1 12 10 14  o 43.52135 11.42746 51.29528       20.62080 51.29528       20.62080 0.000000       0.000000 43.52135 11.42746 ?        ?        ?              ?        
1 1 1 12 10 15  o 31.54911 11.69978 26.35335       20.09658 26.35335       20.09658 0.000000       0.000000 31.54911 11.69978 ?        ?        ?              ?        
1 1 1 12 10 16  o 35.89062 11.97435 36.16334       20.63693 36.16334       20.63693 0.000000       0.000000 35.89062 11.97435 ?        ?        ?              ?        
1 1 1 12 10 17  o 37.28023 13.93152 43.24000       28.59998 43.24000       28.59998 0.000000       0.000000 37.28023 13.93152 ?        ?        ?              ?        
1 1 1 12 10 18  o 31.08982 11.93641 25.65441       21.33420 25.65441       21.33420 0.000000       0.000000 31.08982 11.93641 ?        ?        ?              ?        
1 1 1 12 10 19  o 26.22702 11.19262 12.47887       21.22056 12.47887       21.22056 0.000000       0.000000 26.22702 11.19262 ?        ?        ?              ?        
1 1 1 12 10 20  o 25.46369 11.11037 10.51002       21.83751 10.51002       21.83751 0.000000       0.000000 25.46369 11.11037 ?        ?        ?              ?        
1 1 1 12 10 21  o 28.06685 11.60700 20.40349       21.72587 20.40349       21.72587 0.000000       0.000000 28.06685 11.60700 ?        ?        ?              ?        
1 1 1 12 10 22  o 18.06697 8.805180 -22.47812      21.07169 -22.47812      21.07169 0.000000       0.000000 18.06697 8.805180 ?        ?        ?              ?        
1 1 1 12 11 -19 o 53.22544 9.204135 73.46376       19.33421 88.37392       24.00040 45.90000       32.63221 56.31123 10.80158 34.54350 14.24936 21.76773       17.88067 
1 1 1 12 11 -18 o 26.30890 11.32881 14.94192       22.10418 19.62000       30.62549 9.855000       31.93573 28.59934 12.78314 26.88405 12.41271 1.715294       17.81809 
1 1 1 12 11 -17 o 23.06139 10.09048 6.524993       18.12271 -20.60573      22.44749 57.31000       30.71178 19.20344 9.295793 39.74334 14.51002 -20.53990      17.23231 
1 1 1 12 11 -16 o 29.75454 11.06905 23.84524       18.01466 24.21929       22.23163 23.13000       30.74213 29.97299 11.98008 30.28455 13.19862 -0.3115540     17.82487 
1 1 1 12 11 -15 o 45.29462 10.01415 53.22523       18.07899 61.45599       22.31183 37.49000       30.84977 46.93654 11.66103 34.55798 14.00664 12.37856       18.22541 
1 1 1 12 11 -14 o 17.90332 8.539536 -14.94749      17.40554 -39.04150      21.24220 34.28000       30.36328 16.54747 8.211429 33.99315 13.85197 -17.44568      16.10294 
1 1 1 12 11 -13 o 40.52433 10.35051 42.99342       17.23440 40.34939       21.14907 48.22000       29.73499 37.64010 12.09704 38.76878 14.25731 -1.128681      18.69785 
1 1 1 12 11 -12 o 15.95486 7.790715 -24.13296      16.72223 -50.96702      20.43244 30.30000       29.10101 14.94023 7.508339 33.11702 13.53596 -18.17679      15.47893 
1 1 1 12 11 -11 o 61.84184 7.374929 88.36428       18.30759 70.96554       22.88387 119.3000       30.51411 51.76337 11.12769 66.96275 11.54552 -15.19938      16.03511 
1 1 1 12 11 -10 f 73.48313 6.348780 120.9431       18.91585 92.90641       23.12730 177.6000       32.87666 61.23717 9.533466 84.67647 9.654276 -23.43930      13.56805 
1 1 1 12 11 -9  o 18.66021 8.669202 -7.749517      15.94243 -4.761028      20.38160 -12.46000      25.58852 21.70053 9.982124 22.45888 10.60741 -0.7583523     14.56571 
1 1 1 12 11 -8  o 44.06548 9.212650 48.02141       16.08711 47.29929       20.63653 49.14000       25.68408 41.47643 11.66516 40.47742 13.35380 0.9990082      17.73133 
1 1 1 12 11 -7  o 15.81278 7.647082 -18.91610      15.09884 -22.94367      19.75628 -13.26000      23.41220 17.99955 8.714882 21.47180 10.14274 -3.472256      13.37253 
1 1 1 12 11 -6  o 23.33512 10.41316 1.687978       20.23493 1.687978       20.23493 0.000000       0.000000 23.33512 10.41316 ?        ?        ?              ?        
1 1 1 12 11 -5  o 69.22713 8.413713 113.1105       23.36087 113.1105       23.36087 0.000000       0.000000 69.22713 8.413713 ?        ?        ?              ?        
1 1 1 12 11 -4  o 26.71653 12.13439 2.379000       28.89039 2.379000       28.89039 0.000000       0.000000 26.71653 12.13439 ?        ?        ?              ?        
1 1 1 12 11 -3  o 25.68413 11.87485 -4.095000      29.37344 -4.095000      29.37344 0.000000       0.000000 25.68413 11.87485 ?        ?        ?              ?        
1 1 1 12 11 -2  o 43.08816 14.44831 56.81000       30.04011 56.81000       30.04011 0.000000       0.000000 43.08816 14.44831 ?        ?        ?              ?        
1 1 1 12 11 -1  f 26.22121 11.18726 9.776847       21.19055 9.776847       21.19055 0.000000       0.000000 26.22121 11.18726 ?        ?        ?              ?        
1 1 1 12 11 0   o 23.17560 11.12512 -23.29000      30.58195 -23.29000      30.58195 0.000000       0.000000 23.17560 11.12512 ?        ?        ?              ?        
1 1 1 12 11 1   f 27.45863 11.49426 13.26392       21.68129 13.26392       21.68129 0.000000       0.000000 27.45863 11.49426 ?        ?        ?              ?        
1 1 1 12 11 2   o 43.28278 14.49171 57.45000       30.22207 57.45000       30.22207 0.000000       0.000000 43.28278 14.49171 ?        ?        ?              ?        
1 1 1 12 11 3   o 24.61855 11.50000 -8.702000      28.66916 -8.702000      28.66916 0.000000       0.000000 24.61855 11.50000 ?        ?        ?              ?        
1 1 1 12 11 4   o 46.04844 14.48071 65.30000       30.44287 65.30000       30.44287 0.000000       0.000000 46.04844 14.48071 ?        ?        ?              ?        
1 1 1 12 11 5   o 27.52415 11.35579 14.83711       20.72954 14.83711       20.72954 0.000000       0.000000 27.52415 11.35579 ?        ?        ?              ?        
1 1 1 12 11 6   o 35.50581 11.91713 34.66859       20.43626 34.66859       20.43626 0.000000       0.000000 35.50581 11.91713 ?        ?        ?              ?        
1 1 1 12 11 7   o 38.94117 11.98986 42.29106       20.99139 42.29106       20.99139 0.000000       0.000000 38.94117 11.98986 ?        ?        ?              ?        
1 1 1 12 11 8   o 26.45300 11.16004 12.19709       20.68967 12.19709       20.68967 0.000000       0.000000 26.45300 11.16004 ?        ?        ?              ?        
1 1 1 12 11 9   o 94.43953 6.294948 198.9628       24.20382 198.9628       24.20382 0.000000       0.000000 94.43953 6.294948 ?        ?        ?              ?        
1 1 1 12 11 10  f 22.92108 10.36059 -0.2036308     20.75850 -0.2036308     20.75850 0.000000       0.000000 22.92108 10.36059 ?        ?        ?              ?        
1 1 1 12 11 11  o 32.66430 11.97893 29.04071       20.96734 29.04071       20.96734 0.000000       0.000000 32.66430 11.97893 ?        ?        ?              ?        
1 1 1 12 11 12  o 55.53726 10.14638 78.37637       22.22385 78.37637       22.22385 0.000000       0.000000 55.53726 10.14638 ?        ?        ?              ?        
1 1 1 12 11 13  o 32.67662 12.08762 29.34192       21.42690 29.34192       21.42690 0.000000       0.000000 32.67662 12.08762 ?        ?        ?              ?        
1 1 1 12 11 14  o 17.74605 8.676130 -28.07929      20.92811 -28.07929      20.92811 0.000000       0.000000 17.74605 8.676130 ?        ?        ?              ?        
1 1 1 12 11 15  o 44.63048 11.80038 56.25546       21.89048 56.25546       21.89048 0.000000       0.000000 44.63048 11.80038 ?        ?        ?              ?        
1 1 1 12 11 16  o 44.79280 11.94911 58.07138       22.32025 58.07138       22.32025 0.000000       0.000000 44.79280 11.94911 ?        ?        ?              ?        
1 1 1 12 11 17  o 25.15448 11.86371 -2.687000      31.80113 -2.687000      31.80113 0.000000       0.000000 25.15448 11.86371 ?        ?        ?              ?        
1 1 1 12 11 18  o 17.53136 8.619617 -28.78691      21.57512 -28.78691      21.57512 0.000000       0.000000 17.53136 8.619617 ?        ?        ?              ?        
1 1 1 12 11 19  o 28.84868 11.90898 23.71759       22.81568 23.71759       22.81568 0.000000       0.000000 28.84868 11.90898 ?        ?        ?              ?        
1 1 1 12 12 0   o 38.52351 14.43532 35.03000       30.74877 35.03000       30.74877 0.000000       0.000000 38.52351 14.43532 ?        ?        ?              ?        
1 1 1 12 12 1   o 24.84915 10.92537 6.213803       21.47790 6.213803       21.47790 0.000000       0.000000 24.84915 10.92537 ?        ?        ?              ?        
1 1 1 12 12 2   o 23.94792 10.70866 2.749097       21.51651 2.749097       21.51651 0.000000       0.000000 23.94792 10.70866 ?        ?        ?              ?        
1 1 1 12 12 3   o 54.14165 10.47876 75.55772       22.39108 75.55772       22.39108 0.000000       0.000000 54.14165 10.47876 ?        ?        ?              ?        
1 1 1 12 12 4   f 39.57652 12.37372 45.09544       22.26063 45.09544       22.26063 0.000000       0.000000 39.57652 12.37372 ?        ?        ?              ?        
1 1 1 12 12 5   o 35.50254 12.39469 36.14615       22.15873 36.14615       22.15873 0.000000       0.000000 35.50254 12.39469 ?        ?        ?              ?        
1 1 1 12 12 6   o 18.24413 8.887707 -26.56010      21.40425 -26.56010      21.40425 0.000000       0.000000 18.24413 8.887707 ?        ?        ?              ?        
1 1 1 12 12 7   o 37.92627 12.40422 41.85431       22.18039 41.85431       22.18039 0.000000       0.000000 37.92627 12.40422 ?        ?        ?              ?        
1 1 1 12 12 8   o 44.22691 12.04845 55.52400       22.40705 55.52400       22.40705 0.000000       0.000000 44.22691 12.04845 ?        ?        ?              ?        
1 1 1 12 12 9   o 23.20197 10.52584 0.5100099      21.66106 0.5100099      21.66106 0.000000       0.000000 23.20197 10.52584 ?        ?        ?              ?        
1 1 1 12 12 10  o 36.65969 12.60773 40.76242       22.88896 40.76242       22.88896 0.000000       0.000000 36.65969 12.60773 ?        ?        ?              ?        
1 1 1 12 12 11  o 25.89349 12.15032 -0.8844000     32.61484 -0.8844000     32.61484 0.000000       0.000000 25.89349 12.15032 ?        ?        ?              ?        
1 1 1 12 12 12  o 37.86418 14.83096 53.80000       33.44047 53.80000       33.44047 0.000000       0.000000 37.86418 14.83096 ?        ?        ?              ?        
1 1 1 12 12 13  o 49.51920 15.36755 90.99000       34.40487 90.99000       34.40487 0.000000       0.000000 49.51920 15.36755 ?        ?        ?              ?        
1 1 1 12 12 14  o 37.42434 15.32745 59.70000       37.40786 59.70000       37.40786 0.000000       0.000000 37.42434 15.32745 ?        ?        ?              ?        
1 1 1 12 12 15  o 25.14664 11.26063 10.07034       23.88250 10.07034       23.88250 0.000000       0.000000 25.14664 11.26063 ?        ?        ?              ?        
1 1 1 13 0  -36 o 26.92588 15.84851 33.33000       29.68269 33.33000       29.68269 33.33000       29.68269 26.92588 15.84851 26.92588 15.84851 0.000000       0.000000 
1 1 1 13 0  -35 o 22.13541 14.09318 16.04000       28.09034 16.04000       28.09034 16.04000       28.09034 22.13541 14.09318 22.13541 14.09318 0.000000       0.000000 
1 1 1 13 0  -34 o 30.53619 16.53670 39.52000       28.94132 39.52000       28.94132 39.52000       28.94132 30.53619 16.53670 30.53619 16.53670 0.000000       0.000000 
1 1 1 13 0  -33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 0  -32 o 23.80050 14.54340 19.40000       26.90768 19.40000       26.90768 19.40000       26.90768 23.80050 14.54340 23.80050 14.54340 0.000000       0.000000 
1 1 1 13 0  -31 o 20.17555 12.99166 7.691000       24.72466 7.691000       24.72466 7.691000       24.72466 20.17555 12.99166 20.17555 12.99166 0.000000       0.000000 
1 1 1 13 0  -30 o 30.45680 16.27241 35.74000       27.67534 35.74000       27.67534 35.74000       27.67534 30.45680 16.27241 30.45680 16.27241 0.000000       0.000000 
1 1 1 13 0  -29 o 19.84494 12.98444 2.717000       26.09465 2.717000       26.09465 2.717000       26.09465 19.84494 12.98444 19.84494 12.98444 0.000000       0.000000 
1 1 1 13 0  -28 o 20.68829 13.36105 5.004000       26.40358 5.004000       26.40358 5.004000       26.40358 20.68829 13.36105 20.68829 13.36105 0.000000       0.000000 
1 1 1 13 0  -27 o 15.07968 10.63050 -25.93000      26.04863 -25.93000      26.04863 -25.93000      26.04863 15.07968 10.63050 15.07968 10.63050 0.000000       0.000000 
1 1 1 13 0  -26 o 121.0883 7.566641 312.5000       37.17744 312.5000       37.17744 312.5000       37.17744 121.0883 7.566641 121.0883 7.566641 0.000000       0.000000 
1 1 1 13 0  -25 o 30.47115 16.52588 31.40000       28.94531 31.40000       28.94531 31.40000       28.94531 30.47115 16.52588 30.47115 16.52588 0.000000       0.000000 
1 1 1 13 0  -24 o 21.24324 13.92376 -0.4407000     30.20206 -0.4407000     30.20206 -0.4407000     30.20206 21.24324 13.92376 21.24324 13.92376 0.000000       0.000000 
1 1 1 13 0  -23 o 42.96448 18.16144 57.77000       32.28003 57.77000       32.28003 57.77000       32.28003 42.96448 18.16144 42.96448 18.16144 0.000000       0.000000 
1 1 1 13 0  -22 o 31.42933 17.77377 30.85000       35.12936 30.85000       35.12936 30.85000       35.12936 31.42933 17.77377 31.42933 17.77377 0.000000       0.000000 
1 1 1 13 0  -21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 0  -20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 0  -19 o 258.4820 7.185088 1384.000       75.91496 1384.000       75.91496 1384.000       75.91496 258.4820 7.185088 258.4820 7.185088 0.000000       0.000000 
1 1 1 13 0  -18 o 127.3415 9.030560 341.2000       46.53357 341.2000       46.53357 341.2000       46.53357 127.3415 9.030560 127.3415 9.030560 0.000000       0.000000 
1 1 1 13 0  -17 o 40.26355 20.18969 51.56000       40.80069 51.56000       40.80069 51.56000       40.80069 40.26355 20.18969 40.26355 20.18969 0.000000       0.000000 
1 1 1 13 0  -16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 0  -15 o 120.6902 9.809939 307.0000       47.71927 307.0000       47.71927 307.0000       47.71927 120.6902 9.809939 120.6902 9.809939 0.000000       0.000000 
1 1 1 13 0  -14 f 22.91444 15.42384 -16.33000      41.41620 -16.33000      41.41620 -16.33000      41.41620 22.91444 15.42384 22.91444 15.42384 0.000000       0.000000 
1 1 1 13 0  -13 f 97.83279 11.75976 206.3000       45.30761 206.3000       45.30761 206.3000       45.30761 97.83279 11.75976 97.83279 11.75976 0.000000       0.000000 
1 1 1 13 0  -12 o 472.9950 9.304552 4614.000       180.0517 4614.000       180.0517 4614.000       180.0517 472.9950 9.304552 472.9950 9.304552 0.000000       0.000000 
1 1 1 13 0  -11 o 220.8552 7.128968 1005.000       64.31785 1005.000       64.31785 1005.000       64.31785 220.8552 7.128968 220.8552 7.128968 0.000000       0.000000 
1 1 1 13 0  -10 o 35.71191 19.54607 37.55000       40.87062 37.55000       40.87062 37.55000       40.87062 35.71191 19.54607 35.71191 19.54607 0.000000       0.000000 
1 1 1 13 0  -9  o 206.4094 7.003083 877.6000       59.03470 877.6000       59.03470 877.6000       59.03470 206.4094 7.003083 206.4094 7.003083 0.000000       0.000000 
1 1 1 13 0  -8  o 172.5904 7.314595 614.8000       51.48125 614.8000       51.48125 614.8000       51.48125 172.5904 7.314595 172.5904 7.314595 0.000000       0.000000 
1 1 1 13 0  -7  o 75.90382 14.35624 130.8000       39.96998 130.8000       39.96998 130.8000       39.96998 75.90382 14.35624 75.90382 14.35624 0.000000       0.000000 
1 1 1 13 0  -6  o 489.0407 9.407187 4922.000       188.2203 4922.000       188.2203 4922.000       188.2203 489.0407 9.407187 489.0407 9.407187 0.000000       0.000000 
1 1 1 13 0  -5  o 165.6338 7.314769 566.3000       49.38975 566.3000       49.38975 566.3000       49.38975 165.6338 7.314769 165.6338 7.314769 0.000000       0.000000 
1 1 1 13 0  -4  o 82.56949 12.58379 149.8000       39.61845 149.8000       39.61845 149.8000       39.61845 82.56949 12.58379 82.56949 12.58379 0.000000       0.000000 
1 1 1 13 0  -3  o 67.78125 16.66620 110.3000       40.05137 110.3000       40.05137 110.3000       40.05137 67.78125 16.66620 67.78125 16.66620 0.000000       0.000000 
1 1 1 13 0  -2  o 142.5664 8.049026 421.2000       46.64257 421.2000       46.64257 421.2000       46.64257 142.5664 8.049026 142.5664 8.049026 0.000000       0.000000 
1 1 1 13 0  -1  o 285.1234 7.130280 1671.000       83.12846 1671.000       83.12846 1671.000       83.12846 285.1234 7.130280 285.1234 7.130280 0.000000       0.000000 
1 1 1 13 0  0   o 148.2883 8.090027 455.4000       48.78618 455.4000       48.78618 455.4000       48.78618 148.2883 8.090027 148.2883 8.090027 0.000000       0.000000 
1 1 1 13 0  1   o 70.53961 16.90714 118.7000       42.35737 118.7000       42.35737 118.7000       42.35737 70.53961 16.90714 70.53961 16.90714 0.000000       0.000000 
1 1 1 13 0  2   o 204.6527 7.194376 862.5000       60.11942 862.5000       60.11942 862.5000       60.11942 204.6527 7.194376 204.6527 7.194376 0.000000       0.000000 
1 1 1 13 0  3   o 335.8922 7.573116 2319.000       104.0400 2319.000       104.0400 2319.000       104.0400 335.8922 7.573116 335.8922 7.573116 0.000000       0.000000 
1 1 1 13 0  4   o 483.3759 9.302621 4807.000       183.9720 4807.000       183.9720 4807.000       183.9720 483.3759 9.302621 483.3759 9.302621 0.000000       0.000000 
1 1 1 13 0  5   o 220.1203 6.735599 996.8000       60.58129 996.8000       60.58129 996.8000       60.58129 220.1203 6.735599 220.1203 6.735599 0.000000       0.000000 
1 1 1 13 0  6   o 239.0406 6.664473 1175.000       65.11752 1175.000       65.11752 1175.000       65.11752 239.0406 6.664473 239.0406 6.664473 0.000000       0.000000 
1 1 1 13 0  7   o 18.98251 13.11011 -26.66000      34.34119 -26.66000      34.34119 -26.66000      34.34119 18.98251 13.11011 18.98251 13.11011 0.000000       0.000000 
1 1 1 13 0  8   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 0  9   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 0  10  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 0  11  o 40.12888 18.88066 49.23000       34.90170 49.23000       34.90170 49.23000       34.90170 40.12888 18.88066 40.12888 18.88066 0.000000       0.000000 
1 1 1 13 0  12  o 68.01196 14.78405 108.2000       36.08366 108.2000       36.08366 108.2000       36.08366 68.01196 14.78405 68.01196 14.78405 0.000000       0.000000 
1 1 1 13 0  13  f 35.02760 18.27540 37.62000       34.25032 37.62000       34.25032 37.62000       34.25032 35.02760 18.27540 35.02760 18.27540 0.000000       0.000000 
1 1 1 13 0  14  f 88.56197 9.936147 167.9000       34.86866 167.9000       34.86866 167.9000       34.86866 88.56197 9.936147 88.56197 9.936147 0.000000       0.000000 
1 1 1 13 0  15  o 105.9036 8.490257 235.7000       36.25655 235.7000       36.25655 235.7000       36.25655 105.9036 8.490257 105.9036 8.490257 0.000000       0.000000 
1 1 1 13 0  16  o 107.4478 8.105180 242.2000       35.18240 242.2000       35.18240 242.2000       35.18240 107.4478 8.105180 107.4478 8.105180 0.000000       0.000000 
1 1 1 13 0  17  o 155.8424 6.625837 502.9000       42.10727 502.9000       42.10727 502.9000       42.10727 155.8424 6.625837 155.8424 6.625837 0.000000       0.000000 
1 1 1 13 0  18  o 157.4381 6.467057 513.4000       41.53060 513.4000       41.53060 513.4000       41.53060 157.4381 6.467057 157.4381 6.467057 0.000000       0.000000 
1 1 1 13 0  19  o 190.0481 6.147384 746.9000       47.72509 746.9000       47.72509 746.9000       47.72509 190.0481 6.147384 190.0481 6.147384 0.000000       0.000000 
1 1 1 13 0  20  o 162.2319 6.208986 545.6000       41.10855 545.6000       41.10855 545.6000       41.10855 162.2319 6.208986 162.2319 6.208986 0.000000       0.000000 
1 1 1 13 0  21  o 83.35300 5.348024 144.9753       18.07866 144.9753       18.07866 144.9753       18.07866 83.35300 5.348024 83.35300 5.348024 0.000000       0.000000 
1 1 1 13 0  22  o 27.09671 12.44601 22.69204       15.10957 22.69204       15.10957 22.69204       15.10957 27.09671 12.44601 27.09671 12.44601 0.000000       0.000000 
1 1 1 13 0  23  o 57.38412 6.996206 71.38896       15.78768 71.38896       15.78768 71.38896       15.78768 57.38412 6.996206 57.38412 6.996206 0.000000       0.000000 
1 1 1 13 0  24  o 12.48622 8.547382 -8.243589      13.86160 -8.243589      13.86160 -8.243589      13.86160 12.48622 8.547382 12.48622 8.547382 0.000000       0.000000 
1 1 1 13 0  25  o 65.34971 6.034348 91.03195       15.81350 91.03195       15.81350 91.03195       15.81350 65.34971 6.034348 65.34971 6.034348 0.000000       0.000000 
1 1 1 13 0  26  o 47.32697 8.509400 51.48101       14.90659 51.48101       14.90659 51.48101       14.90659 47.32697 8.509400 47.32697 8.509400 0.000000       0.000000 
1 1 1 13 0  27  o 92.41857 4.881559 178.7919       18.35479 178.7919       18.35479 178.7919       18.35479 92.41857 4.881559 92.41857 4.881559 0.000000       0.000000 
1 1 1 13 0  28  o 12.42221 8.558893 -9.227430      14.42744 -9.227430      14.42744 -9.227430      14.42744 12.42221 8.558893 12.42221 8.558893 0.000000       0.000000 
1 1 1 13 0  29  o 56.96287 7.380868 72.25899       16.41999 72.25899       16.41999 72.25899       16.41999 56.96287 7.380868 56.96287 7.380868 0.000000       0.000000 
1 1 1 13 0  30  o 38.01797 12.11501 40.45443       16.60626 40.45443       16.60626 40.45443       16.60626 38.01797 12.11501 38.01797 12.11501 0.000000       0.000000 
1 1 1 13 0  31  o 11.60881 8.159453 -13.94629      14.99553 -13.94629      14.99553 -13.94629      14.99553 11.60881 8.159453 11.60881 8.159453 0.000000       0.000000 
1 1 1 13 0  32  o 12.62243 8.744075 -9.946634      15.56852 -9.946634      15.56852 -9.946634      15.56852 12.62243 8.744075 12.62243 8.744075 0.000000       0.000000 
1 1 1 13 0  33  o 27.10163 15.56682 29.20000       27.53938 29.20000       27.53938 29.20000       27.53938 27.10163 15.56682 27.10163 15.56682 0.000000       0.000000 
1 1 1 13 0  34  o 85.84380 9.411645 171.7000       32.07173 171.7000       32.07173 171.7000       32.07173 85.84380 9.411645 85.84380 9.411645 0.000000       0.000000 
1 1 1 13 0  35  o 31.38425 14.66240 37.13000       21.02042 37.13000       21.02042 37.13000       21.02042 31.38425 14.66240 31.38425 14.66240 0.000000       0.000000 
1 1 1 13 0  36  o 17.71506 11.55540 5.465000       20.43848 5.465000       20.43848 5.465000       20.43848 17.71506 11.55540 17.71506 11.55540 0.000000       0.000000 
1 1 1 13 1  -35 o 46.03520 11.49320 62.35500       21.59681 81.48000       30.54250 43.23000       30.54250 47.75941 14.41501 34.14375 13.90048 13.61567       20.02538 
1 1 1 13 1  -34 o 25.33411 10.96231 11.65755       20.89572 24.95000       29.25492 -2.187000      29.85629 30.06895 12.99098 24.66675 11.59060 5.402201       17.40998 
1 1 1 13 1  -33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 1  -32 o 24.78696 10.57658 9.043992       18.94418 -8.636000      26.40066 27.81000       27.19942 23.37254 10.95599 32.21699 13.11708 -8.844450      17.09068 
1 1 1 13 1  -31 o 23.95792 10.29556 7.176361       18.18563 -0.5067000     25.74306 14.83000       25.69372 24.73881 11.31969 28.35165 12.21131 -3.612839      16.65087 
1 1 1 13 1  -30 o 25.26344 10.50279 10.85824       17.92000 -0.7274000     25.37229 22.39000       25.31322 24.74500 11.29028 30.73221 12.60001 -5.987219      16.91835 
1 1 1 13 1  -29 o 31.99472 11.22046 25.74976       18.17173 29.63000       25.38256 21.67000       26.02699 33.83490 13.01220 31.25026 12.79031 2.584639       18.24580 
1 1 1 13 1  -28 o 45.85549 10.38566 51.63758       19.04646 40.52000       26.66978 63.21000       27.20986 38.78990 13.59400 48.29968 13.32515 -9.509777      19.03566 
1 1 1 13 1  -27 o 38.39361 11.41257 36.67698       19.25493 30.14000       28.46693 42.19000       26.14248 35.68989 13.76585 40.17016 13.47854 -4.480274      19.26576 
1 1 1 13 1  -26 o 34.80774 11.82180 28.80042       20.11121 44.78000       29.66521 15.21000       27.35780 41.55360 14.35056 31.22991 12.97963 10.32368       19.34966 
1 1 1 13 1  -25 o 23.17696 10.42633 -5.057137      20.73545 -25.90000      31.29710 11.25000       27.68307 24.52093 11.62564 30.59426 12.90823 -6.073339      17.37176 
1 1 1 13 1  -24 o 62.40155 9.272259 87.42657       22.97313 72.86000       34.11721 99.51000       31.07350 53.30415 15.00143 64.73103 12.17002 -11.42689      19.31715 
1 1 1 13 1  -23 o 25.46340 11.15052 -0.6948988     22.17011 -22.21000      34.21241 14.88000       29.10882 26.90935 12.56765 32.80902 13.48814 -5.899675      18.43572 
1 1 1 13 1  -22 o 49.03793 11.84715 55.94711       23.52016 66.02000       36.37527 48.71000       30.83271 51.65938 15.76034 45.24990 14.61205 6.409481       21.49187 
1 1 1 13 1  -21 o 113.2471 6.051167 269.1019       27.95830 307.4000       42.54807 240.0000       37.08961 119.5154 8.754984 105.5967 8.653681 13.91872       12.30999 
1 1 1 13 1  -20 o 185.4432 4.951463 713.5643       37.56472 704.5000       55.16742 721.4000       51.29298 182.7796 7.386282 185.3941 6.768106 -2.614471      10.01820 
1 1 1 13 1  -19 o 52.93968 12.09744 63.32358       25.64921 79.26000       40.47605 52.63000       33.15615 57.82758 16.36243 48.03625 15.11313 9.791321       22.27411 
1 1 1 13 1  -18 o 92.14240 7.905650 179.3245       29.53982 202.3000       46.08370 163.3000       38.48646 96.10581 11.96911 86.62070 11.10600 9.485115       16.32798 
1 1 1 13 1  -17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 1  -16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 1  -15 o 104.6810 7.427748 228.7423       31.63146 312.8000       49.56901 171.0000       41.08363 121.5985 10.04490 89.16864 11.52108 32.42982       15.28513 
1 1 1 13 1  -14 o 51.57549 13.65726 58.87765       29.29359 36.92000       45.97894 73.88000       38.00542 46.38378 17.59216 57.44847 15.70826 -11.06470      23.58460 
1 1 1 13 1  -13 o 26.68790 12.07592 -14.25775      28.28896 -3.984000      45.26965 -20.84000      36.23512 36.78605 16.02449 29.60441 13.50168 7.181635       20.95423 
1 1 1 13 1  -12 o 141.2679 6.043778 412.0848       34.87962 508.3000       55.39994 348.9000       44.89460 156.2444 8.693533 129.4067 8.519923 26.83763       12.17237 
1 1 1 13 1  -11 o 65.04254 12.01143 91.31760       30.81200 126.9000       48.48948 67.22000       39.90403 75.79208 16.12050 55.52520 16.41032 20.26689       23.00367 
1 1 1 13 1  -10 o 138.6064 6.258017 396.4520       35.42606 422.5000       54.42338 377.3000       46.66644 142.4121 9.385159 134.7591 8.500424 7.653046       12.66248 
1 1 1 13 1  -9  o 291.0078 5.193861 1740.285       61.88985 1725.000       89.99568 1754.000       85.24810 289.0140 7.611259 291.6712 7.137839 -2.657166      10.43456 
1 1 1 13 1  -8  o 150.2394 5.897704 464.8846       36.21151 447.8000       55.43577 477.6000       47.82468 146.8062 9.269239 151.9669 7.710819 -5.160629      12.05718 
1 1 1 13 1  -7  o 234.1635 5.018936 1126.000       48.12328 1126.000       71.22769 1126.000       65.27451 233.6244 7.455257 233.7675 6.826536 -0.1431732     10.10853 
1 1 1 13 1  -6  o 97.89093 7.787831 198.7570       30.95929 218.9000       47.79916 184.2000       40.63436 101.9894 11.65465 93.64318 10.79454 8.346260       15.88562 
1 1 1 13 1  -5  o 154.0083 5.593336 487.8970       35.21418 508.2000       53.62082 472.5000       46.69516 156.7317 8.385638 151.2595 7.563186 5.472198       11.29251 
1 1 1 13 1  -4  o 248.2619 4.968820 1265.157       50.51121 1234.000       73.52830 1293.000       69.50836 244.7010 7.346602 250.6083 6.779792 -5.907333      9.996907 
1 1 1 13 1  -3  f 223.2463 4.957296 1022.975       45.31620 994.0000       67.30641 1047.000       61.28899 219.5786 7.496861 225.5288 6.644002 -5.950195      10.01727 
1 1 1 13 1  -2  o 115.4112 6.644233 274.8210       31.26639 306.6000       50.29213 254.8000       39.91833 121.3159 10.21906 110.7695 8.875113 10.54641       13.53502 
1 1 1 13 1  -1  o 202.3957 5.098737 841.4020       42.22235 921.9000       65.67805 784.7000       55.12226 211.4530 7.597811 195.1858 6.907796 16.26717       10.26861 
1 1 1 13 1  0   o 270.1205 5.030643 1497.638       55.64236 1545.000       83.61865 1460.000       74.54163 273.8438 7.464160 266.3330 6.840835 7.510834       10.12476 
1 1 1 13 1  1   o 124.4771 6.294374 319.2956       31.97824 336.5000       51.21175 308.3000       40.94108 127.2020 9.910366 122.0245 8.242204 5.177452       12.88989 
1 1 1 13 1  2   o 165.9749 5.473469 566.3273       37.14798 545.5000       56.48627 582.2000       49.31189 162.4127 8.523564 168.0403 7.183183 -5.627548      11.14672 
1 1 1 13 1  3   f 116.2255 6.638652 278.7169       31.46266 293.7000       49.26983 268.4000       40.88414 118.7048 10.23641 113.7020 8.851048 5.002762       13.53238 
1 1 1 13 1  4   o 39.34809 13.60538 29.38369       26.66752 14.81000       42.64828 38.74000       34.17191 40.41735 16.43655 44.81062 15.40511 -4.393269      22.52726 
1 1 1 13 1  5   o 184.3073 5.004833 697.8810       37.73586 705.8000       56.73896 691.6000       50.53186 184.9536 7.507542 183.2168 6.747112 1.736740       10.09389 
1 1 1 13 1  6   o 457.4745 6.332937 4304.218       118.6305 4420.000       172.7989 4201.000       163.1540 462.4638 9.125126 450.9931 8.834936 11.47073       12.70134 
1 1 1 13 1  7   o 181.5213 4.966988 677.0959       36.88389 602.5000       53.63999 744.0000       50.79926 170.7743 7.690554 190.0335 6.538078 -19.25923      10.09411 
1 1 1 13 1  8   o 82.23683 8.124772 140.9494       27.00200 111.6000       41.95650 161.7000       35.27893 71.59715 14.80062 87.76852 9.994240 -16.17136      17.85898 
1 1 1 13 1  9   o 63.76659 10.26323 86.49226       25.88865 76.26000       40.12418 93.79000       33.88554 59.01089 16.14209 65.82790 13.03262 -6.817009      20.74647 
1 1 1 13 1  10  o 142.4392 5.317447 417.7356       30.95951 403.3000       46.09447 429.6000       41.78829 139.4318 8.108497 144.1362 7.102262 -4.704361      10.77914 
1 1 1 13 1  11  o 181.5402 4.813019 677.8215       35.74635 705.5000       53.23881 655.1000       48.23649 184.7361 7.050989 178.1068 6.625651 6.629349       9.675520 
1 1 1 13 1  12  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 1  13  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 1  14  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 1  15  o 113.5999 5.669835 267.1212       26.29044 268.4000       39.45477 266.1000       35.25867 113.0843 8.584789 112.8735 7.674320 0.2108002      11.51494 
1 1 1 13 1  16  o 134.3407 4.975641 372.7666       27.32310 389.9000       41.36061 359.5000       36.39529 136.6736 7.418379 131.4292 6.785814 5.244400       10.05384 
1 1 1 13 1  17  o 142.2258 3.669500 416.3454       21.35241 440.8075       26.33433 369.4000       36.48144 146.1781 4.404647 133.1280 6.714014 13.05008       8.029876 
1 1 1 13 1  18  o 89.86926 4.552705 167.1275       16.69890 161.9187       20.19174 178.4000       29.70395 88.20873 5.619555 91.87860 7.974315 -3.669868      9.755465 
1 1 1 13 1  19  o 177.0840 3.423785 645.4342       24.82620 652.5732       30.56787 631.6000       42.55247 177.8245 4.198065 174.1402 5.976482 3.684326       7.303567 
1 1 1 13 1  20  o 51.59080 6.808801 56.69440       14.03279 55.02628       17.00898 60.25000       24.83243 50.26596 8.570958 51.41985 12.01206 -1.153893      14.75638 
1 1 1 13 1  21  o 185.9114 3.363750 712.4789       25.60672 696.9301       31.24262 744.3000       44.69480 183.5425 4.157061 188.6771 5.791993 -5.134567      7.129400 
1 1 1 13 1  22  o 97.78847 3.935959 198.2127       15.72803 196.8567       19.29234 200.9000       27.15886 97.13931 4.865757 97.24965 6.864334 -0.1103439     8.413957 
1 1 1 13 1  23  o 59.69239 5.545837 75.35100       13.40031 77.78232       16.80092 71.10000       22.21556 60.12424 6.952251 56.02831 10.05270 4.095928       12.22254 
1 1 1 13 1  24  o 65.31518 5.072181 89.91436       13.45917 91.25844       16.99047 87.65000       22.05287 65.24273 6.443934 62.73219 8.829153 2.510536       10.93061 
1 1 1 13 1  25  o 23.25911 9.033152 8.761533       12.32084 8.036443       15.80434 9.885000       19.67256 24.67700 10.01667 27.13457 11.11445 -2.457565      14.96211 
1 1 1 13 1  26  o 22.66575 8.499629 9.396495       10.66467 16.13628       15.72464 3.655792       14.51243 28.05284 10.35902 22.09754 9.335870 5.955297       13.94517 
1 1 1 13 1  27  o 32.63837 8.817072 24.94651       12.05960 38.92000       21.67893 18.68472       14.51226 39.17157 12.20548 28.86484 10.03361 10.30673       15.80023 
1 1 1 13 1  28  o 96.04873 3.897973 193.6152       15.29860 170.4000       27.38864 204.1432       18.44417 87.00233 7.769715 98.16074 4.601584 -11.15842      9.030119 
1 1 1 13 1  29  o 59.85799 5.267060 77.56377       12.77814 62.30000       22.70888 84.63581       15.45744 48.83697 11.54016 61.93242 6.177623 -13.09545      13.08963 
1 1 1 13 1  30  o 23.26881 9.371819 9.582461       13.71451 15.27000       19.58945 4.115000       19.20670 27.31874 11.12847 23.56816 10.34787 3.750587       15.19610 
1 1 1 13 1  31  o 36.28559 8.542605 32.21087       12.48076 29.82992       16.23607 35.65000       19.51329 33.60762 10.57609 35.89324 11.62721 -2.285618      15.71769 
1 1 1 13 1  32  o 44.55802 7.406346 46.34953       13.03889 52.04265       16.88922 37.95000       20.51455 45.68962 9.342996 36.68864 11.92462 9.000984       15.14886 
1 1 1 13 1  33  o 29.17510 9.541764 21.76169       13.12470 18.32723       16.56700 27.55000       21.50755 27.46305 10.52502 31.53941 12.01545 -4.076366      15.97332 
1 1 1 13 1  34  o 41.61796 8.257605 42.93843       13.57524 34.21426       17.11454 57.74000       22.29243 34.67126 10.85103 44.03659 12.02623 -9.365326      16.19799 
1 1 1 13 1  35  o 21.37588 9.176393 6.490299       14.41852 9.656227       16.52427 -3.611000      29.51620 23.20270 9.888583 23.89901 11.31879 -0.6963139     15.02994 
1 1 1 13 2  -34 o 25.84926 11.02916 14.89101       20.59779 8.694000       29.39402 20.87000       28.87234 25.99340 11.96801 28.44645 12.58030 -2.453045      17.36368 
1 1 1 13 2  -33 o 34.01432 12.04956 35.20638       20.99615 35.29000       30.38943 35.13000       29.04245 32.81236 13.66210 32.85381 13.48599 -0.4145432E-01 19.19700 
1 1 1 13 2  -32 o 26.15372 10.98755 13.21754       19.92184 31.14000       28.39790 -4.150000      27.95481 32.72692 13.37337 24.40769 11.38640 8.319227       17.56409 
1 1 1 13 2  -31 o 34.06747 11.73082 32.12465       19.81768 68.49000       27.90046 -4.905000      28.15414 47.56982 13.62628 24.65260 11.47596 22.91722       17.81497 
1 1 1 13 2  -30 o 46.27503 10.89921 56.64102       20.30934 40.10000       28.54008 73.61000       28.90692 36.27044 13.83552 49.35526 13.77931 -13.08482      19.52667 
1 1 1 13 2  -29 o 25.94283 10.73310 12.23198       18.58814 39.52000       26.24832 -15.22000      26.32706 36.64512 13.40867 22.41381 10.63712 14.23132       17.11551 
1 1 1 13 2  -28 o 24.66979 10.53033 7.286788       18.79077 31.03000       25.94212 -18.92000      27.25478 34.25615 13.15983 22.53939 10.73265 11.71676       16.98149 
1 1 1 13 2  -27 o 28.04917 11.08192 15.58874       18.81244 22.55000       26.03020 7.977000       27.21923 32.10488 12.91813 28.27757 12.36969 3.827314       17.88540 
1 1 1 13 2  -26 o 62.60279 8.127818 88.63139       20.34355 62.15000       29.05474 114.1000       28.49372 47.88623 13.96253 69.22227 10.37159 -21.33604      17.39316 
1 1 1 13 2  -25 o 56.03874 8.947686 71.89796       19.84149 72.91000       29.02377 71.01000       27.18647 53.13902 13.35595 52.96413 12.70002 0.1748962      18.43019 
1 1 1 13 2  -24 o 49.95163 10.87297 59.38226       21.60670 62.99000       34.13307 56.97000       27.91056 48.48902 15.34451 47.17298 13.66466 1.316044       20.54694 
1 1 1 13 2  -23 o 71.47999 8.139815 112.4596       23.40051 143.1000       37.98579 93.72000       29.70662 77.47869 12.39060 62.71852 12.00445 14.76017       17.25206 
1 1 1 13 2  -22 o 100.0778 6.388767 213.0045       26.04387 207.9000       42.82648 216.0000       32.80742 95.34132 11.18227 99.66457 8.109099 -4.323257      13.81306 
1 1 1 13 2  -21 o 20.46297 9.770751 -26.46130      22.91280 -10.43000      40.28020 -34.13000      27.85916 31.47001 14.30697 22.09223 10.60852 9.377781       17.81096 
1 1 1 13 2  -20 o 35.53114 12.98420 25.50357       24.60073 22.34000       43.31437 27.01000       29.88944 39.47458 16.36260 37.35101 14.17988 2.123569       21.65187 
1 1 1 13 2  -19 o 24.60429 11.20450 -11.86464      24.83540 33.47000       43.14488 -34.33000      30.37182 42.66212 16.80504 23.66884 11.28703 18.99329       20.24368 
1 1 1 13 2  -18 o 50.04482 12.74834 57.45277       26.19276 47.11000       45.00648 62.75000       32.20930 47.16196 17.50515 51.80113 14.57507 -4.639172      22.77856 
1 1 1 13 2  -17 f 35.39779 13.36605 22.04653       26.47268 42.00000       45.31691 11.71000       32.61657 46.22958 17.48067 34.37923 14.21996 11.85035       22.53400 
1 1 1 13 2  -16 o 93.86602 7.812332 185.8731       29.75515 159.9000       47.45505 202.7000       38.19634 84.18343 14.27630 97.28989 9.717922 -13.10646      17.26994 
1 1 1 13 2  -15 o 82.50848 8.584847 144.3420       28.58023 139.0000       46.88886 147.5000       36.05146 78.25868 15.18015 82.56263 10.93228 -4.303947      18.70700 
1 1 1 13 2  -14 o 122.0846 6.462752 309.9240       32.19236 279.8000       50.90569 330.0000       41.55739 114.3098 11.01185 125.4325 8.135098 -11.12273      13.69090 
1 1 1 13 2  -13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 2  -12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 2  -11 o 29.03788 12.91782 -9.648513      30.89118 -44.28000      48.56176 13.89000       40.03579 31.67958 14.85286 38.59817 15.83788 -6.918591      21.71280 
1 1 1 13 2  -10 o 93.86753 8.144561 184.1625       30.99504 173.9000       49.92196 190.6000       39.53885 89.40444 14.10365 94.92725 10.33893 -5.522804      17.48732 
1 1 1 13 2  -9  o 66.31509 11.35403 94.60009       29.72286 64.39000       47.83453 113.6000       37.93510 55.17271 18.22495 72.26167 13.31093 -17.08896      22.56833 
1 1 1 13 2  -8  o 117.0810 6.959560 283.9587       33.21457 303.1000       53.29136 271.8000       42.47323 119.9705 10.96946 114.0462 9.172450 5.924316       14.29905 
1 1 1 13 2  -7  f 147.3556 5.931519 447.7773       35.71648 439.0000       56.26885 453.7000       46.22176 145.0810 9.524485 147.9770 7.654318 -2.895935      12.21902 
1 1 1 13 2  -6  o 37.07578 14.05645 21.31180       29.34752 26.42000       48.39128 18.34000       36.90993 44.94529 17.76854 38.96528 15.48177 5.980003       23.56706 
1 1 1 13 2  -5  o 60.08683 12.48173 78.23839       29.70518 72.45000       48.55836 81.70000       37.55124 58.16926 18.28802 61.00149 15.11207 -2.832230      23.72396 
1 1 1 13 2  -4  o 155.8784 5.748635 500.4062       36.62947 486.3000       57.93532 509.8000       47.27808 152.9378 9.295219 157.0417 7.372837 -4.103867      11.86422 
1 1 1 13 2  -3  o 101.9867 7.622333 215.7704       31.60119 175.7000       50.35818 241.8000       40.58753 90.47295 14.04886 107.6692 9.297110 -17.19627      16.84657 
1 1 1 13 2  -2  o 196.2886 5.207101 792.1832       41.81497 723.4000       62.59966 847.6000       56.18900 186.9761 8.196301 202.7489 6.777651 -15.77281      10.63560 
1 1 1 13 2  -1  o 95.31770 7.896535 188.7566       30.54380 150.1000       49.19852 213.0000       38.96156 83.26155 14.98136 100.9755 9.536102 -17.71393      17.75890 
1 1 1 13 2  0   o 49.05926 13.42022 52.03241       27.73318 19.37000       46.80848 69.70000       34.42620 42.87813 17.29831 56.52911 14.72750 -13.65099      22.71851 
1 1 1 13 2  1   o 157.4618 5.569228 510.2845       35.85174 521.6000       57.77819 503.2000       45.71752 158.5570 8.935423 156.0959 7.171810 2.461090       11.45760 
1 1 1 13 2  2   o 89.82930 10.89455 170.1000       39.25491 0.000000       0.000000 170.1000       39.25491 ?        ?        89.82930 10.89455 ?              ?        
1 1 1 13 2  3   o 176.8647 5.237249 643.3405       37.88700 738.5000       61.39021 584.8000       48.15052 188.9639 7.951839 168.3148 7.001702 20.64909       10.59507 
1 1 1 13 2  4   o 294.7368 5.102436 1784.925       61.57952 1665.000       87.61491 1902.000       86.56771 283.9644 7.541790 303.7820 6.959362 -19.81766      10.26213 
1 1 1 13 2  5   o 201.0031 4.942510 830.0971       40.67941 778.7000       61.10806 871.0000       54.51377 194.0448 7.706135 205.5349 6.485449 -11.49013      10.07202 
1 1 1 13 2  6   o 160.7879 5.292613 532.1127       34.79811 510.6000       54.30503 547.1000       45.32679 156.8468 8.487127 162.7578 6.816339 -5.910980      10.88549 
1 1 1 13 2  7   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 2  8   o 60.51088 10.89425 78.68891       26.00071 101.7000       43.79123 66.16000       32.31285 67.71468 16.04157 54.88331 14.25316 12.83136       21.45890 
1 1 1 13 2  9   o 237.5437 4.762208 1160.164       46.32083 1217.000       71.47153 1119.000       60.82411 242.5301 7.204848 232.8141 6.386348 9.716003       9.627838 
1 1 1 13 2  10  o 116.7764 5.971967 281.9544       28.46113 285.1000       46.73372 280.1000       35.88298 116.4467 9.894805 116.0416 7.593514 0.4050598      12.47272 
1 1 1 13 2  11  o 98.45238 6.673783 201.3345       26.74534 209.9000       44.82696 196.6000       33.32701 99.27408 11.22418 96.85449 8.489087 2.419586       14.07291 
1 1 1 13 2  12  o 94.77258 4.802945 185.4139       18.57790 182.3837       22.61671 191.7000       32.57459 93.79298 5.919094 95.57590 8.409159 -1.782913      10.28346 
1 1 1 13 2  13  o 108.6394 4.372071 243.2985       19.40936 252.6480       24.11472 226.1000       32.70635 110.5265 5.344171 103.9610 7.738616 6.565445       9.404592 
1 1 1 13 2  14  o 93.26801 4.746402 179.7934       18.06722 181.8497       22.43607 176.0000       30.47261 93.56592 5.885870 91.41827 8.228483 2.147644       10.11689 
1 1 1 13 2  15  o 139.3796 3.745559 399.9511       21.35730 391.5656       26.35273 416.0000       36.45697 137.6951 4.680738 141.4367 6.310869 -3.741562      7.857251 
1 1 1 13 2  16  o 74.29981 5.270154 114.8060       15.92970 112.0941       19.65310 120.0000       27.19870 73.08038 6.640004 74.87637 9.054833 -1.795990      11.22852 
1 1 1 13 2  17  f 149.5551 5.667282 465.0000       34.64288 465.0000       34.64288 0.000000       0.000000 149.5551 5.667282 ?        ?        ?              ?        
1 1 1 13 2  18  o 80.18167 7.251696 136.1000       23.55177 136.1000       23.55177 0.000000       0.000000 80.18167 7.251696 ?        ?        ?              ?        
1 1 1 13 2  19  o 97.04543 6.584014 198.4000       26.00825 198.4000       26.00825 0.000000       0.000000 97.04543 6.584014 ?        ?        ?              ?        
1 1 1 13 2  20  o 56.31133 10.81073 71.72000       24.02123 0.000000       0.000000 71.72000       24.02123 ?        ?        56.31133 10.81073 ?              ?        
1 1 1 13 2  21  o 42.21653 10.16257 40.73843       17.35514 1.557000       29.72154 61.01000       21.37838 29.68106 12.95590 51.74104 10.45081 -22.05998      16.64557 
1 1 1 13 2  22  o 72.21794 6.295368 111.1527       18.43030 100.5000       30.16217 117.5000       23.28236 65.67656 11.64192 73.48219 7.859786 -7.805634      14.04672 
1 1 1 13 2  23  o 86.52409 5.438219 158.2387       19.16973 136.8000       29.90079 173.2000       24.97855 77.92438 9.571819 89.72868 6.850259 -11.80431      11.77055 
1 1 1 13 2  24  o 44.59536 7.733204 44.39367       13.60964 42.46153       17.94458 47.01000       20.88142 42.31122 10.42598 44.01175 11.47185 -1.700527      15.50175 
1 1 1 13 2  25  o 79.07162 4.624840 131.8311       14.90877 136.3904       19.36743 125.2000       23.35690 79.66766 5.980635 75.16695 7.697221 4.500710       9.747575 
1 1 1 13 2  26  o 49.15787 6.735915 53.36607       13.20238 54.69056       17.55145 51.64000       20.03629 48.34251 9.202704 45.86367 10.84134 2.478832       14.22057 
1 1 1 13 2  27  o 27.63663 9.206530 17.63804       12.20011 18.76284       16.38885 16.24000       18.27137 28.86741 10.58993 28.16754 10.98309 0.6998730      15.25696 
1 1 1 13 2  28  o 33.97692 8.913927 28.07485       12.55393 23.68484       16.51128 34.09000       19.32731 30.89482 10.70441 35.91020 11.56647 -5.015377      15.75968 
1 1 1 13 2  29  o 41.68203 6.900507 39.82049       11.36581 47.08727       16.74454 33.61186       15.47748 43.30512 9.685963 36.13662 10.08044 7.168499       13.97974 
1 1 1 13 2  30  o 49.76041 6.030086 55.31114       12.03621 34.21000       17.32598 74.99273       16.73305 35.72195 10.87287 56.95133 7.346362 -21.22938      13.12206 
1 1 1 13 2  31  o 23.48391 9.121236 11.20407       12.56312 13.83000       20.27656 9.567882       16.00547 26.74581 11.14980 23.95402 9.939368 2.791790       14.93684 
1 1 1 13 2  32  o 23.18517 8.848160 11.47547       11.67613 3.137422       16.67903 19.48870       16.35093 21.81745 9.608803 27.97274 10.51708 -6.155296      14.24563 
1 1 1 13 2  33  o 29.81470 10.07567 24.02737       14.60777 31.41779       17.13155 4.340000       27.96122 33.21005 10.90370 25.36642 11.67692 7.843624       15.97627 
1 1 1 13 2  34  o 19.94818 8.923638 1.454092       14.95697 1.013658       17.34223 2.733000       29.55182 20.87831 9.450326 24.96173 11.66535 -4.083426      15.01296 
1 1 1 13 3  -33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 3  -32 o 30.10131 11.65814 25.87922       20.47886 37.36000       29.44305 15.12000       28.50281 33.34944 13.62124 27.61752 12.33909 5.731918       18.37910 
1 1 1 13 3  -31 o 21.65228 9.952936 -3.242759      20.21318 -21.49000      29.36425 13.19000       27.86606 22.16870 10.70700 27.81414 12.32697 -5.645447      16.32771 
1 1 1 13 3  -30 o 27.83888 11.23057 17.36196       19.72882 14.06000       28.45167 20.42000       27.38067 28.61841 12.57887 30.04811 12.76473 -1.429701      17.92112 
1 1 1 13 3  -29 o 32.13599 11.63144 27.69291       19.67620 13.88000       29.08443 39.35000       26.71857 28.82607 12.69233 36.22106 13.47932 -7.394985      18.51452 
1 1 1 13 3  -28 o 35.57703 11.43917 34.46611       18.90985 32.03000       27.57079 36.63000       25.98477 33.82132 13.39895 35.47691 13.27489 -1.655590      18.86146 
1 1 1 13 3  -27 o 70.47971 7.088002 112.3347       20.17814 86.78000       28.18601 139.2000       28.89977 56.54033 12.50647 75.80275 9.520209 -19.26242      15.71770 
1 1 1 13 3  -26 o 58.19610 8.560428 78.95452       19.79025 56.54000       26.94698 105.2000       29.15899 44.87261 13.53916 64.42947 11.47324 -19.55685      17.74666 
1 1 1 13 3  -25 o 40.36737 11.11671 40.82364       18.95720 22.18000       26.37455 60.75000       27.26678 32.41744 13.01740 47.51788 13.42433 -15.10044      18.69934 
1 1 1 13 3  -24 o 36.23054 11.45622 32.16853       19.02959 32.76000       27.84236 31.65000       26.06890 36.71458 13.74055 36.16404 13.34084 0.5505371      19.15152 
1 1 1 13 3  -23 o 24.71559 10.56386 4.231029       18.95558 24.08000       29.47753 -9.764000      24.75193 34.50123 13.79327 24.03967 11.03691 10.46157       17.66544 
1 1 1 13 3  -22 o 51.74666 11.07400 63.56491       22.75569 39.43000       36.95127 78.31000       28.88219 40.73945 15.69150 56.35394 12.80803 -15.61449      20.25509 
1 1 1 13 3  -21 o 60.46564 9.738836 82.92125       23.29353 81.11000       39.45958 83.89000       28.85813 55.26847 16.31458 59.19460 12.30772 -3.926121      20.43638 
1 1 1 13 3  -20 o 57.93477 10.73727 77.03312       24.53393 118.4000       43.69709 57.99000       29.64798 68.18518 15.93829 48.50509 14.09326 19.68009       21.27555 
1 1 1 13 3  -19 o 24.11787 10.92254 -8.784107      23.20364 29.21000       41.71205 -25.81000      27.92276 40.33160 16.30854 23.42400 11.06849 16.90760       19.70989 
1 1 1 13 3  -18 o 37.00934 12.87412 29.43638       23.89439 -2.333000      42.25574 44.37000       28.97103 34.04098 15.12796 43.71587 14.16796 -9.674889      20.72647 
1 1 1 13 3  -17 o 30.04782 12.37473 9.423809       24.55791 -6.952000      43.35553 17.16000       29.79935 33.89886 15.17655 34.46312 13.83750 -0.5642624     20.53787 
1 1 1 13 3  -16 o 78.69572 8.420054 132.6772       26.71133 83.65000       45.41925 158.6000       33.02654 58.57013 17.55631 85.57836 9.589590 -27.00823      20.00460 
1 1 1 13 3  -15 o 52.90450 12.26038 63.37941       26.03954 28.27000       45.63447 80.33000       31.70835 42.62209 17.12024 59.25051 13.38617 -16.62842      21.73228 
1 1 1 13 3  -14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 3  -13 o 49.59565 14.83865 55.59000       32.46883 0.000000       0.000000 55.59000       32.46883 ?        ?        49.59565 14.83865 ?              ?        
1 1 1 13 3  -12 o 120.5379 7.790662 304.7000       38.24635 0.000000       0.000000 304.7000       38.24635 ?        ?        120.5379 7.790662 ?              ?        
1 1 1 13 3  -11 o 109.0755 8.460270 250.3000       37.49121 0.000000       0.000000 250.3000       37.49121 ?        ?        109.0755 8.460270 ?              ?        
1 1 1 13 3  -10 o 81.33559 8.866081 139.9275       29.05071 69.57000       51.80570 172.2000       35.08640 56.33397 18.97450 90.06976 9.664355 -33.73578      21.29393 
1 1 1 13 3  -9  o 33.59153 13.40553 13.66055       27.79335 28.11000       49.46987 6.996000       33.59700 44.91314 17.89769 34.16802 14.30596 10.74512       22.91261 
1 1 1 13 3  -8  o 61.21325 18.64009 84.55000       50.91439 84.55000       50.91439 0.000000       0.000000 61.21325 18.64009 ?        ?        ?              ?        
1 1 1 13 3  -7  o 51.71258 18.50922 52.97000       49.66339 52.97000       49.66339 0.000000       0.000000 51.71258 18.50922 ?        ?        ?              ?        
1 1 1 13 3  -6  o 96.86066 7.767550 195.7513       30.54943 201.5000       52.45175 192.8000       37.58165 96.46822 13.66024 95.61597 9.734488 0.8522491      16.77386 
1 1 1 13 3  -5  o 69.64143 10.32965 103.4847       28.56481 105.4000       50.81649 102.6000       34.53786 68.30479 17.94105 68.66265 12.75368 -0.3578568     22.01222 
1 1 1 13 3  -4  o 155.9793 5.667918 501.8707       36.14034 419.2000       58.11606 554.0000       46.14891 141.3560 10.10725 163.5992 6.904517 -22.24324      12.24046 
1 1 1 13 3  -3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 3  -2  f 70.59708 10.41419 106.1414       29.20190 19.77000       52.23847 145.4000       35.21865 44.38128 18.13724 82.78787 10.63451 -38.40659      21.02504 
1 1 1 13 3  -1  o 176.4431 5.268621 641.1328       38.02237 609.7000       60.81930 661.3000       48.71609 171.1929 8.704808 178.8882 6.662323 -7.695343      10.96176 
1 1 1 13 3  0   o 71.42539 9.999462 108.2484       28.44497 63.33000       50.60144 129.0000       34.39354 55.29761 18.75225 77.79562 11.11222 -22.49800      21.79744 
1 1 1 13 3  1   o 56.34679 12.56577 69.33961       28.25345 73.97000       50.66684 67.25000       34.03668 58.51076 18.71581 55.26811 14.76117 3.242649       23.83640 
1 1 1 13 3  2   f 69.57021 17.86864 108.7000       51.16647 108.7000       51.16647 0.000000       0.000000 69.57021 17.86864 ?        ?        ?              ?        
1 1 1 13 3  3   o 76.21639 9.074189 122.3804       27.76376 167.6000       49.47925 101.6000       33.54185 87.82854 14.24588 68.48952 12.41732 19.33902       18.89802 
1 1 1 13 3  4   o 123.7054 6.046072 316.2691       30.53297 330.3000       51.36021 308.6000       37.97136 125.4012 10.08736 121.8501 7.648961 3.551132       12.65944 
1 1 1 13 3  5   o 73.42229 5.879173 111.8401       17.52779 133.7018       21.00994 61.79000       31.78961 80.22044 6.450432 52.94120 14.32110 27.27924       15.70675 
1 1 1 13 3  6   o 117.7467 4.365104 285.3928       21.00948 293.1656       25.85962 270.3000       36.03439 119.1882 5.311985 113.9150 7.771784 5.273201       9.413703 
1 1 1 13 3  7   o 113.3731 4.413122 264.7134       20.44796 256.1481       25.07890 281.7000       35.31752 111.3355 5.518306 116.3396 7.452954 -5.004066      9.273522 
1 1 1 13 3  8   o 66.53247 6.452699 92.37218       17.35874 106.3323       21.31251 64.86000       29.91943 71.22474 7.416164 54.06977 13.54393 17.15496       15.44142 
1 1 1 13 3  9   o 132.7263 3.936537 362.4286       21.37055 365.7141       26.48655 356.3000       36.17451 133.1571 4.865950 130.9779 6.767926 2.179169       8.335604 
1 1 1 13 3  10  o 31.08724 10.29634 19.52931       15.26468 14.45854       18.81322 29.30000       26.11494 29.94660 11.27647 38.57469 13.45651 -8.628092      17.55666 
1 1 1 13 3  11  o 71.85810 5.650707 107.3871       16.49290 97.87216       20.59485 124.4000       27.53882 68.16703 7.502249 76.53468 8.956646 -8.367653      11.68355 
1 1 1 13 3  12  o 131.0643 4.342300 354.2955       23.27172 341.3000       31.64555 369.6000       34.34193 128.1930 6.045738 133.3300 6.308206 -5.137009      8.737529 
1 1 1 13 3  13  o 132.9146 4.923653 365.4228       26.75057 363.1000       44.91066 366.7000       33.30286 131.2220 8.402459 132.7717 6.142285 -1.549713      10.40812 
1 1 1 13 3  14  o 27.99111 11.10290 10.09425       18.95324 -3.019000      36.43272 14.96000       22.19275 32.52739 14.26757 31.31472 12.13397 1.212666       18.72957 
1 1 1 13 3  15  o 110.8944 5.228144 255.4450       23.67320 277.0000       41.84662 245.3000       28.70865 113.8997 9.046771 108.2383 6.507549 5.661339       11.14416 
1 1 1 13 3  16  o 134.5589 3.752388 373.6357       20.65477 376.0423       26.77703 370.1000       32.45578 134.6326 4.865219 133.1228 5.969272 1.509827       7.700816 
1 1 1 13 3  17  o 59.37273 6.253025 74.53214       14.97404 71.18760       19.60953 79.21000       23.19122 57.20657 8.640446 59.93866 9.786527 -2.732094      13.05501 
1 1 1 13 3  18  o 149.9918 3.592691 464.4345       22.06540 451.0309       28.25161 485.4000       35.33337 147.3137 4.689531 152.3051 5.675531 -4.991440      7.362293 
1 1 1 13 3  19  o 73.36954 5.260154 112.9841       15.69811 113.2137       21.10868 112.7000       23.48134 72.68594 7.186228 72.09744 8.093451 0.5885010      10.82339 
1 1 1 13 3  20  o 89.65709 6.105325 170.3726       22.28020 170.3726       22.28020 0.000000       0.000000 89.65709 6.105325 ?        ?        ?              ?        
1 1 1 13 3  21  o 55.29789 6.418946 65.76131       14.26465 65.66963       19.81114 65.86000       20.55600 53.90933 9.311282 53.78886 9.689333 0.1204720      13.43812 
1 1 1 13 3  22  o 77.80164 8.502048 134.5000       26.64511 134.5000       26.64511 0.000000       0.000000 77.80164 8.502048 ?        ?        ?              ?        
1 1 1 13 3  23  o 93.33310 8.104400 193.2000       30.66611 193.2000       30.66611 0.000000       0.000000 93.33310 8.104400 ?        ?        ?              ?        
1 1 1 13 3  24  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 3  25  o 104.6718 4.745173 232.1527       20.28501 244.4000       32.08776 224.0000       26.18004 104.7797 7.529096 101.4914 6.331188 3.288345       9.837237 
1 1 1 13 3  26  o 30.76688 9.348431 22.84788       12.81567 3.106423       17.29460 46.89000       19.08566 22.87212 9.934619 42.99826 10.84363 -20.12614      14.70649 
1 1 1 13 3  27  o 29.98049 9.494294 22.08755       13.06546 23.48795       17.40581 20.28000       19.77478 30.69568 10.96095 29.52588 11.45030 1.169800       15.85093 
1 1 1 13 3  28  o 28.75361 9.535968 20.46422       13.09219 30.70162       17.24082 6.520000       20.12149 33.98433 10.92227 24.55321 10.68974 9.431120       15.28288 
1 1 1 13 3  29  o 24.72912 9.486395 13.11528       13.46738 24.21060       17.26385 -4.133000      21.52488 30.59167 10.91701 22.33785 10.26907 8.253820       14.98782 
1 1 1 13 3  30  o 17.33216 7.989447 -5.821106      13.15333 -13.19299      16.93048 5.403000       20.89085 18.00452 8.540375 24.35693 10.73946 -6.352406      13.72130 
1 1 1 13 3  31  o 36.43931 11.04005 36.88471       17.89110 36.88471       17.89110 0.000000       0.000000 36.43931 11.04005 ?        ?        ?              ?        
1 1 1 13 3  32  o 23.21381 10.01439 8.114945       17.33391 8.114945       17.33391 0.000000       0.000000 23.21381 10.01439 ?        ?        ?              ?        
1 1 1 13 3  33  o 31.08746 10.32699 27.40928       15.35272 13.60535       17.95099 65.01000       29.62683 24.91889 10.44684 41.80872 14.34509 -16.88983      17.74593 
1 1 1 13 4  -32 o 21.88208 10.59618 -16.88000      29.23256 -16.88000      29.23256 0.000000       0.000000 21.88208 10.59618 ?        ?        ?              ?        
1 1 1 13 4  -31 o 21.64730 9.431843 5.420739       15.69013 16.22011       18.59737 -21.25000      29.22603 26.18740 10.77515 21.58007 10.48380 4.607327       15.03376 
1 1 1 13 4  -30 o 27.32633 11.81485 14.92000       24.23331 14.92000       24.23331 0.000000       0.000000 27.32633 11.81485 ?        ?        ?              ?        
1 1 1 13 4  -29 o 35.54994 12.98631 37.66000       24.60541 37.66000       24.60541 0.000000       0.000000 35.54994 12.98631 ?        ?        ?              ?        
1 1 1 13 4  -28 o 64.94704 6.404656 94.76832       16.81112 97.14327       20.04662 89.14000       30.86051 64.49176 7.746086 54.69268 13.78638 9.799076       15.81348 
1 1 1 13 4  -27 o 43.83565 8.572725 46.56017       14.83606 49.68902       17.39781 38.22000       28.40461 44.22935 9.858305 35.68513 13.75426 8.544220       16.92235 
1 1 1 13 4  -26 o 61.28228 8.223061 88.43088       20.11416 90.55000       28.24366 86.25000       28.65218 57.58665 12.34836 55.50893 12.85850 2.077713       17.82759 
1 1 1 13 4  -25 o 21.81361 9.824997 -2.067501      18.47641 -13.25000      25.61045 10.07000       26.68163 22.80145 10.72062 28.13259 12.27782 -5.331139      16.29959 
1 1 1 13 4  -24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 4  -23 o 56.38716 8.996160 73.71883       20.07369 55.20000       29.21072 90.29000       27.63198 44.82961 14.19611 60.32214 11.60824 -15.49253      18.33796 
1 1 1 13 4  -22 o 26.02062 10.92855 7.647778       19.69977 -10.56000      30.22175 21.10000       25.97695 26.16359 12.07827 32.49724 12.96299 -6.333651      17.71789 
1 1 1 13 4  -21 o 48.65392 13.27108 60.44000       27.16550 0.000000       0.000000 60.44000       27.16550 ?        ?        48.65392 13.27108 ?              ?        
1 1 1 13 4  -20 o 52.15803 13.19096 67.91000       28.18611 0.000000       0.000000 67.91000       28.18611 ?        ?        52.15803 13.19096 ?              ?        
1 1 1 13 4  -19 f 34.46370 13.24427 23.77000       26.28253 0.000000       0.000000 23.77000       26.28253 ?        ?        34.46370 13.24427 ?              ?        
1 1 1 13 4  -18 o 49.16871 11.96959 57.33455       23.86891 28.12000       46.33102 67.89000       27.84908 40.42075 16.85263 53.04778 12.93844 -12.62704      21.24652 
1 1 1 13 4  -17 o 23.06096 10.83605 -21.91000      26.09543 0.000000       0.000000 -21.91000      26.09543 ?        ?        23.06096 10.83605 ?              ?        
1 1 1 13 4  -16 o 89.99149 7.422878 172.9641       27.10956 85.51000       49.51559 210.4000       32.39637 57.41060 18.51535 98.94903 8.065676 -41.53843      20.19587 
1 1 1 13 4  -15 o 47.17016 12.28848 51.51208       23.96869 19.09000       47.11946 62.83000       27.83962 39.98563 16.85403 51.79870 13.11487 -11.81307      21.35551 
1 1 1 13 4  -14 o 36.68607 12.70994 28.28858       23.27762 34.48000       47.76365 26.36000       26.65763 44.02790 17.57259 36.68951 13.49826 7.338390       22.15849 
1 1 1 13 4  -13 o 76.74551 8.377751 126.0807       25.90016 93.80000       49.57417 138.2000       30.37543 61.71254 18.30422 79.92537 9.464875 -18.21283      20.60651 
1 1 1 13 4  -12 o 43.74864 12.86840 43.12622       24.58625 -5.807000      47.92982 60.60000       28.64160 36.26180 16.11347 51.39339 13.45489 -15.13159      20.99233 
1 1 1 13 4  -11 o 117.5194 6.248137 288.1212       29.95855 284.2000       53.62819 289.9000       36.12013 114.1553 11.63538 117.3818 7.555033 -3.226555      13.87301 
1 1 1 13 4  -10 o 63.88855 10.18937 88.79904       25.76123 134.2000       49.68916 72.11000       30.12623 75.88579 16.46522 56.41960 13.26511 19.46619       21.14395 
1 1 1 13 4  -9  o 95.14721 7.250564 189.8696       28.03557 173.6000       52.38505 196.4000       33.18854 87.58239 15.15559 96.35739 8.498617 -8.775002      17.37580 
1 1 1 13 4  -8  o 25.18360 11.66404 -21.37000      28.52585 0.000000       0.000000 -21.37000      28.52585 ?        ?        25.18360 11.66404 ?              ?        
1 1 1 13 4  -7  o 47.53813 14.16626 50.17000       29.63860 0.000000       0.000000 50.17000       29.63860 ?        ?        47.53813 14.16626 ?              ?        
1 1 1 13 4  -6  o 55.32601 8.061427 65.13828       17.72615 65.76000       21.90921 63.96000       30.16146 55.04862 10.09155 53.41334 13.71920 1.635277       17.03102 
1 1 1 13 4  -5  o 96.85652 4.736358 193.7502       18.72746 207.1942       22.67487 164.9000       33.21662 100.0075 5.559043 88.19832 9.339247 11.80919       10.86851 
1 1 1 13 4  -4  o 80.53209 5.559190 134.5290       18.21930 141.8322       22.09195 119.0000       32.21429 82.48569 6.595715 74.32279 10.90984 8.162895       12.74865 
1 1 1 13 4  -3  o 74.93800 7.100204 117.5244       21.52712 117.5244       21.52712 0.000000       0.000000 74.93800 7.100204 ?        ?        ?              ?        
1 1 1 13 4  -2  o 129.7656 5.075823 347.6196       26.91857 347.6196       26.91857 0.000000       0.000000 129.7656 5.075823 ?        ?        ?              ?        
1 1 1 13 4  -1  o 92.61944 6.086768 178.0574       22.95618 178.0574       22.95618 0.000000       0.000000 92.61944 6.086768 ?        ?        ?              ?        
1 1 1 13 4  0   o 216.5000 3.722474 963.0760       33.00001 989.1288       41.42020 917.8000       54.60341 219.1993 4.614755 210.5453 6.340813 8.653961       7.842313 
1 1 1 13 4  1   o 97.77071 4.777910 197.3286       19.07015 193.2385       23.40852 205.4000       32.88357 96.53104 5.951126 98.98562 8.186148 -2.454575      10.12072 
1 1 1 13 4  2   o 38.33525 10.23268 31.99469       16.36223 26.96554       19.89387 42.51000       28.76625 36.10592 11.74340 44.51856 14.08645 -8.412647      18.33945 
1 1 1 13 4  3   o 100.5101 4.663660 208.4762       19.14149 200.6887       23.72456 223.0000       32.39953 98.37285 5.917126 103.2691 7.717853 -4.896202      9.725102 
1 1 1 13 4  4   o 75.34538 5.654378 117.8904       17.31754 138.9991       21.69800 80.85000       28.74266 81.66411 6.543510 60.69216 11.99108 20.97195       13.66029 
1 1 1 13 4  5   o 48.29758 11.94008 51.58305       23.47783 41.27000       45.39046 55.35000       27.43251 47.10217 17.56101 49.87039 13.22121 -2.768227      21.98157 
1 1 1 13 4  6   o 107.5423 5.965582 240.0172       26.16686 288.9000       48.20806 219.6000       31.15590 116.5832 10.20123 102.4533 7.478095 14.12984       12.64860 
1 1 1 13 4  7   o 33.29699 12.18825 19.89766       21.69085 40.41000       43.76923 13.22000       24.97317 46.28786 17.24706 32.08438 12.73889 14.20348       21.44156 
1 1 1 13 4  8   o 85.53390 6.821875 153.0443       23.69491 98.97000       43.07902 176.5000       28.37230 65.50379 16.16196 91.65803 7.628709 -26.15424      17.87194 
1 1 1 13 4  9   o 96.68218 4.660367 193.3041       18.39543 173.6835       23.49272 224.4000       29.57522 91.24182 6.327228 103.5564 7.016145 -12.31455      9.447757 
1 1 1 13 4  10  o 52.47383 7.382549 58.61198       15.42458 79.94661       19.86869 26.25000       24.47058 61.21746 8.126851 36.57372 13.00320 24.64374       15.33391 
1 1 1 13 4  11  o 43.13689 8.878178 40.67613       15.15873 36.99806       19.70383 46.01000       23.72806 40.78644 11.37239 45.21669 12.43121 -4.430248      16.84833 
1 1 1 13 4  12  o 112.2792 4.131347 260.4437       18.96156 226.6605       24.06167 315.8000       30.80058 104.3181 5.654158 123.0059 6.134527 -18.68782      8.342777 
1 1 1 13 4  13  o 52.64504 7.187503 59.17342       15.08969 64.24227       20.04881 52.55000       22.91789 54.17106 9.377946 48.15039 11.73303 6.020676       15.02031 
1 1 1 13 4  14  o 54.70644 6.922085 63.78718       15.15944 64.06381       20.32039 63.44000       22.76458 53.92002 9.553254 53.16287 10.82575 0.7571526      14.43820 
1 1 1 13 4  15  o 70.01833 5.472358 102.7876       15.56501 100.1489       21.15821 105.9000       22.97883 68.33620 7.695042 70.10165 8.157466 -1.765450      11.21418 
1 1 1 13 4  16  o 105.6834 4.133121 231.6345       17.85136 221.7630       23.85411 244.2000       26.91305 102.8164 5.688163 107.7018 6.127896 -4.885345      8.360999 
1 1 1 13 4  17  o 88.66750 4.485333 163.8123       16.23195 157.0812       22.03417 171.8000       24.00286 86.10055 6.293268 89.93208 6.563331 -3.831535      9.092994 
1 1 1 13 4  18  o 37.97665 8.836838 32.58699       13.48246 35.95919       19.20508 29.31000       18.93202 39.23842 11.32567 35.81586 11.43882 3.422565       16.09712 
1 1 1 13 4  19  f 84.78184 4.558493 150.4180       15.76698 145.7431       21.64773 155.7000       23.01037 82.56172 6.454647 85.24347 6.644775 -2.681747      9.263666 
1 1 1 13 4  20  o 21.65071 8.958330 4.482504       12.95104 4.605108       18.28211 4.359000       18.34914 24.69571 10.45813 24.64771 10.45922 0.4800224E-01  14.79080 
1 1 1 13 4  21  o 60.23347 5.747448 77.72681       14.00380 76.67019       18.94342 79.00000       20.79448 58.58002 8.115095 59.01030 8.880923 -0.4302711     12.03019 
1 1 1 13 4  22  o 33.88035 9.182810 26.93636       13.05510 28.15860       17.67760 25.47000       19.36264 34.26672 11.06402 33.03379 11.58250 1.232925       16.01770 
1 1 1 13 4  23  o 63.28964 5.474739 86.04974       14.04860 69.56287       18.74059 107.2000       21.22619 55.01819 8.599995 69.25262 7.610616 -14.23443      11.48396 
1 1 1 13 4  24  o 32.52955 9.147319 25.39967       12.69057 16.78573       17.37489 35.25000       18.58002 28.17376 10.78330 37.20218 11.24623 -9.028427      15.58067 
1 1 1 13 4  25  o 50.89693 6.629947 58.01010       13.48929 57.22342       18.19578 58.97000       20.09942 48.48571 9.504921 48.45029 10.43953 0.3542328E-01  14.11833 
1 1 1 13 4  26  o 28.68372 9.667932 20.19638       13.44939 21.83058       17.77888 18.01000       20.56433 29.72396 11.00787 28.55968 11.48538 1.164286       15.90871 
1 1 1 13 4  27  o 45.97736 10.07778 54.02750       18.44824 57.63000       30.79050 52.01000       23.04203 42.11531 14.61637 42.64425 12.43416 -0.5289459     19.18976 
1 1 1 13 4  28  o 42.60614 14.34517 58.06000       29.61076 58.06000       29.61076 0.000000       0.000000 42.60614 14.34517 ?        ?        ?              ?        
1 1 1 13 4  29  o 22.71116 9.966330 4.075787       17.79512 4.075787       17.79512 0.000000       0.000000 22.71116 9.966330 ?        ?        ?              ?        
1 1 1 13 4  30  o 27.60935 10.87405 18.80142       18.06249 18.80142       18.06249 0.000000       0.000000 27.60935 10.87405 ?        ?        ?              ?        
1 1 1 13 4  31  o 25.20386 10.52199 13.71780       18.09535 13.71780       18.09535 0.000000       0.000000 25.20386 10.52199 ?        ?        ?              ?        
1 1 1 13 4  32  o 21.64025 9.747977 2.820424       18.19352 2.820424       18.19352 0.000000       0.000000 21.64025 9.747977 ?        ?        ?              ?        
1 1 1 13 5  -30 o 36.14246 10.45793 37.00279       16.35618 26.65355       19.37398 62.68000       30.51676 30.12062 11.42057 40.70888 14.51597 -10.58825      18.47006 
1 1 1 13 5  -29 o 38.34816 10.27455 40.07555       16.45824 38.87810       19.67092 42.87000       30.05009 36.25277 11.66810 35.22098 13.97723 1.031792       18.20735 
1 1 1 13 5  -28 o 32.75100 11.42775 29.89500       18.83478 46.51000       24.84048 7.424000       28.88823 38.73207 13.13865 26.86146 12.17392 11.87061       17.91168 
1 1 1 13 5  -27 o 45.18290 8.977781 50.28990       16.02444 50.36159       18.95035 50.11000       30.01873 43.64281 10.69030 39.34739 14.34846 4.295414       17.89304 
1 1 1 13 5  -26 o 64.17109 7.905869 96.63093       20.33501 111.0000       26.75018 76.96000       31.29859 66.22510 10.19084 49.42571 14.51399 16.79939       17.73441 
1 1 1 13 5  -25 o 57.10453 10.39078 83.24000       23.40168 83.24000       23.40168 0.000000       0.000000 57.10453 10.39078 ?        ?        ?              ?        
1 1 1 13 5  -24 o 20.69373 9.357211 -2.599532      16.95065 -2.599532      16.95065 0.000000       0.000000 20.69373 9.357211 ?        ?        ?              ?        
1 1 1 13 5  -23 o 40.55708 8.988397 39.64958       14.53446 32.69865       16.70080 61.35000       29.50870 35.80759 10.62496 45.64081 14.24294 -9.833221      17.76938 
1 1 1 13 5  -22 o 50.02829 7.294528 56.39406       14.50342 59.48587       16.72729 47.03000       29.11059 50.72596 8.343043 40.93957 14.21185 9.786392       16.47977 
1 1 1 13 5  -21 o 52.58554 10.45768 66.83038       21.72490 41.17000       33.19798 86.05000       28.73112 39.33870 14.94185 58.06810 12.45681 -18.72939      19.45330 
1 1 1 13 5  -20 o 58.61794 6.295635 74.64501       14.87451 84.02132       17.44557 49.68000       28.46657 61.81026 7.016899 43.25354 14.04607 18.55672       15.70124 
1 1 1 13 5  -19 o 21.47203 8.986957 3.917175       13.25115 11.12688       15.43010 -16.34000      25.86422 25.66589 10.06802 23.31199 10.90055 2.353893       14.83870 
1 1 1 13 5  -18 o 67.70306 5.536187 97.51668       15.21381 91.12737       18.03214 113.3000       28.34128 64.76416 6.906097 70.10944 10.16874 -5.345284      12.29217 
1 1 1 13 5  -17 o 35.22870 10.39335 28.82253       16.01808 28.82253       16.01808 0.000000       0.000000 35.22870 10.39335 ?        ?        ?              ?        
1 1 1 13 5  -16 o 104.3276 4.192750 226.6682       17.87462 226.6531       21.70999 226.7000       31.49413 103.8960 5.118890 102.4189 7.563096 1.477058       9.132549 
1 1 1 13 5  -15 o 51.04424 6.976818 56.34114       14.20115 69.82540       17.19217 27.38000       25.19563 56.65171 7.603055 35.91657 13.13785 20.73514       15.17924 
1 1 1 13 5  -14 o 71.15833 5.270523 106.3541       15.24790 108.2956       18.61873 102.4000       26.57083 71.37134 6.440128 67.75673 9.866560 3.614609       11.78237 
1 1 1 13 5  -13 o 45.13503 7.851885 44.53820       13.98479 52.82453       17.06774 27.61000       24.39498 48.86965 8.855249 36.25246 12.97277 12.61718       15.70695 
1 1 1 13 5  -12 o 91.95732 4.462084 175.6684       16.75137 186.1206       20.67582 155.7000       28.57786 94.35665 5.373596 85.04482 8.312504 9.311836       9.898144 
1 1 1 13 5  -11 o 101.6934 4.252595 214.2864       17.66899 211.2717       21.64943 220.3000       30.57698 100.6531 5.271220 101.9109 7.377340 -1.257751      9.067022 
1 1 1 13 5  -10 o 142.8305 3.749260 421.0868       21.90863 413.7657       27.27526 434.4000       36.78083 141.2471 4.722546 144.0420 6.250908 -2.794952      7.834302 
1 1 1 13 5  -9  o 149.7203 3.733865 462.1209       22.89095 480.7228       28.93448 431.0000       37.42505 152.3494 4.643634 143.5112 6.384707 8.838226       7.894797 
1 1 1 13 5  -8  o 50.95041 7.168787 55.40290       14.54306 54.56361       17.58377 57.22000       25.87295 50.03214 8.909663 50.09916 12.62037 -0.6702042E-01 15.44849 
1 1 1 13 5  -7  f 139.8009 3.783771 402.9554       21.64012 397.7861       26.86864 412.5000       36.50950 138.6253 4.740434 140.5599 6.359846 -1.934540      7.932172 
1 1 1 13 5  -6  o 97.10932 4.405917 195.0429       17.47386 189.5219       21.42864 206.0000       30.18795 95.45101 5.506006 98.87225 7.512733 -3.421242      9.314359 
1 1 1 13 5  -5  o 92.62666 4.552579 177.5530       17.21414 181.9923       21.25914 169.1000       29.33540 93.53300 5.576124 89.35894 8.105407 4.174057       9.838230 
1 1 1 13 5  -4  o 122.2591 4.068744 308.3531       20.34046 302.2478       25.55848 318.9000       33.59243 120.7583 5.180899 123.5587 6.664288 -2.800407      8.441235 
1 1 1 13 5  -3  o 96.46723 6.509578 194.4665       25.56269 140.9000       46.83126 217.2000       30.50859 78.54100 15.11030 101.6885 7.377157 -23.14753      16.81499 
1 1 1 13 5  -2  o 156.2858 6.282716 508.3000       40.12409 0.000000       0.000000 508.3000       40.12409 ?        ?        156.2858 6.282716 ?              ?        
1 1 1 13 5  -1  o 167.0812 6.132993 580.3000       41.88774 0.000000       0.000000 580.3000       41.88774 ?        ?        167.0812 6.132993 ?              ?        
1 1 1 13 5  0   o 95.01144 8.050933 190.5000       31.02719 0.000000       0.000000 190.5000       31.02719 ?        ?        95.01144 8.050933 ?              ?        
1 1 1 13 5  1   o 57.48575 7.710798 70.29581       17.69299 65.38000       22.90396 77.57000       27.86158 54.53215 10.63946 59.07505 11.92937 -4.542896      15.98462 
1 1 1 13 5  2   o 78.86792 5.377802 129.3144       17.26329 156.2821       21.44860 79.71000       29.08952 86.56041 6.090261 59.75494 12.29903 26.80547       13.72434 
1 1 1 13 5  3   o 222.6323 4.535882 1022.819       41.34990 1022.819       41.34990 0.000000       0.000000 222.6323 4.535882 ?        ?        ?              ?        
1 1 1 13 5  4   o 166.4086 4.645546 572.2009       31.62363 572.2009       31.62363 0.000000       0.000000 166.4086 4.645546 ?        ?        ?              ?        
1 1 1 13 5  5   o 165.3109 4.647656 564.8428       31.42885 564.8428       31.42885 0.000000       0.000000 165.3109 4.647656 ?        ?        ?              ?        
1 1 1 13 5  6   o 193.4158 3.606752 770.1194       28.56490 794.1008       36.03990 729.6000       46.84664 196.1106 4.488055 187.2053 6.119555 8.905273       7.588912 
1 1 1 13 5  7   f 33.75436 10.19506 24.71191       15.27377 28.85219       19.43808 18.03000       24.69386 36.54306 11.58147 33.33386 12.83058 3.209202       17.28451 
1 1 1 13 5  8   o 117.8198 4.072130 286.7416       19.61602 287.6284       25.28118 285.4000       31.09516 117.6553 5.260914 116.7369 6.531236 0.9183960      8.386552 
1 1 1 13 5  9   o 118.8654 4.007014 291.9026       19.47510 289.8776       25.20919 294.9000       30.67106 118.0799 5.226803 118.6797 6.334379 -0.5998306     8.212419 
1 1 1 13 5  10  o 29.48415 9.983495 17.78787       14.34201 16.04769       19.45340 19.86000       21.22792 30.40087 11.46254 32.62012 12.03769 -2.219259      16.62214 
1 1 1 13 5  11  o 21.48088 9.095946 1.635030       13.82779 -1.839361      18.93533 5.605000       20.24078 23.64506 10.33075 26.74287 11.14359 -3.097803      15.19553 
1 1 1 13 5  12  o 94.02380 4.397085 183.5585       16.88195 182.1805       22.59441 185.3000       25.40056 93.13060 5.956161 93.63055 6.668891 -0.4999466     8.941475 
1 1 1 13 5  13  o 25.11469 9.566466 10.38662       13.63247 -2.219452      19.12416 23.41000       19.43813 23.51361 10.32472 33.37559 11.61163 -9.861979      15.53801 
1 1 1 13 5  14  o 14.51255 7.045053 -21.21217      13.13229 -19.10267      19.19053 -23.07000      18.00941 19.43458 9.181149 17.88170 8.571582 1.552877       12.56047 
1 1 1 13 5  15  o 20.21042 9.126181 -6.327822      16.05936 48.40000       35.68155 -20.23000      17.98378 44.71006 15.71957 18.34124 8.729244 26.36883       17.98067 
1 1 1 13 5  16  o 47.69439 7.435248 49.82893       14.04736 49.40961       19.73004 50.26000       20.00473 46.05734 10.67112 46.42927 10.73665 -0.3719330     15.13765 
1 1 1 13 5  17  o 90.46412 4.417099 171.1174       16.31259 164.5118       22.18015 178.9000       24.07518 87.81109 6.208689 91.42895 6.472587 -3.617859      8.968958 
1 1 1 13 5  18  o 97.57294 4.261545 199.0848       16.98526 196.7905       23.27219 201.7000       24.84661 96.06582 5.945349 97.03397 6.287286 -0.9681549     8.653157 
1 1 1 13 5  19  o 37.20705 13.50948 33.25000       26.57072 33.25000       26.57072 0.000000       0.000000 37.20705 13.50948 ?        ?        ?              ?        
1 1 1 13 5  20  o 26.47862 10.06331 13.51809       15.06414 48.58000       25.95906 -4.284000      18.49723 43.16730 13.34073 21.83926 9.834066 21.32803       16.57359 
1 1 1 13 5  21  o 20.77029 8.774934 3.346117       12.82044 19.85463       18.43380 -12.12000      17.84233 30.06433 11.19460 19.42099 9.072140 10.64335       14.40912 
1 1 1 13 5  22  o 99.03445 5.049273 209.3848       20.40816 203.7000       34.66596 212.4000       25.24684 93.42937 9.179802 98.65231 6.282576 -5.222946      11.12383 
1 1 1 13 5  23  o 49.15808 7.058797 54.67217       13.80153 59.25948       19.03724 49.59000       20.03780 49.18847 9.796175 43.78830 11.14806 5.400166       14.84063 
1 1 1 13 5  24  o 41.03913 8.680823 40.68970       14.13138 40.81766       19.24590 40.54000       20.81589 39.01928 11.36003 38.39940 11.95931 0.6198730      16.49471 
1 1 1 13 5  25  o 26.69290 9.728075 16.75986       13.79566 2.386659       18.83643 33.39000       20.26142 22.82916 10.12536 34.74841 11.86470 -11.91925      15.59788 
1 1 1 13 5  26  o 27.97050 10.96018 18.13127       18.26912 18.13127       18.26912 0.000000       0.000000 27.97050 10.96018 ?        ?        ?              ?        
1 1 1 13 5  27  o 26.79608 10.80683 15.36012       18.26242 15.36012       18.26242 0.000000       0.000000 26.79608 10.80683 ?        ?        ?              ?        
1 1 1 13 5  28  o 21.53235 9.732903 -0.4535262     18.31962 -0.4535262     18.31962 0.000000       0.000000 21.53235 9.732903 ?        ?        ?              ?        
1 1 1 13 5  29  o 28.94780 11.19886 22.55132       18.88134 22.55132       18.88134 0.000000       0.000000 28.94780 11.19886 ?        ?        ?              ?        
1 1 1 13 5  30  o 18.15867 8.697255 -13.97576      18.45820 -13.97576      18.45820 0.000000       0.000000 18.15867 8.697255 ?        ?        ?              ?        
1 1 1 13 6  -29 f 26.02741 12.21056 5.901000       32.90891 5.901000       32.90891 0.000000       0.000000 26.02741 12.21056 ?        ?        ?              ?        
1 1 1 13 6  -28 o 15.27241 7.512420 -25.17146      16.44991 -32.06173      19.87595 -10.19000      29.30806 16.27423 8.052245 23.04919 11.01789 -6.774961      13.64670 
1 1 1 13 6  -27 o 51.33620 8.640808 65.31140       17.51919 86.59712       21.28700 20.63000       30.84137 58.60862 9.170523 29.51920 13.03081 29.08942       15.93426 
1 1 1 13 6  -26 o 44.94867 9.490432 51.16502       16.91835 44.44877       20.26966 66.59000       30.71818 39.64444 11.69040 44.78681 14.59438 -5.142372      18.69923 
1 1 1 13 6  -25 o 74.24798 7.023793 125.9596       21.10022 157.2000       28.31389 86.94000       31.64339 80.87029 8.686393 53.12934 14.25187 27.74095       16.69040 
1 1 1 13 6  -24 o 42.91426 10.94538 49.09359       19.29137 39.97000       25.58293 61.12000       29.37214 36.61556 13.26148 43.93256 14.26783 -7.317001      19.47916 
1 1 1 13 6  -23 o 39.26625 10.93607 41.20790       18.23211 44.76000       23.51138 35.85000       28.87577 39.19060 12.76794 34.95758 13.75481 4.233017       18.76740 
1 1 1 13 6  -22 o 57.92595 7.045984 76.36257       16.36906 66.03754       19.69333 99.44000       29.44200 51.65591 9.665738 60.60276 12.28559 -8.946850      15.63209 
1 1 1 13 6  -21 o 24.84930 9.765048 11.85556       14.53756 7.590778       17.13972 22.79000       27.44441 24.13611 10.16872 31.77636 13.08370 -7.640257      16.57064 
1 1 1 13 6  -20 o 27.10524 10.45045 15.08157       16.40133 15.08157       16.40133 0.000000       0.000000 27.10524 10.45045 ?        ?        ?              ?        
1 1 1 13 6  -19 o 18.19249 8.536993 -12.38713      16.10340 -12.38713      16.10340 0.000000       0.000000 18.19249 8.536993 ?        ?        ?              ?        
1 1 1 13 6  -18 o 28.80425 10.08444 18.49853       14.67440 3.464291       16.53189 74.35000       31.86391 23.00310 9.849448 52.26605 14.41992 -29.26295      17.46269 
1 1 1 13 6  -17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13 6  -16 o 26.60999 9.819054 14.08548       14.12364 28.15380       16.87027 -18.88000      25.82443 34.50473 10.76948 22.87286 10.75767 11.63186       15.22200 
1 1 1 13 6  -15 o 83.63326 4.811616 147.1906       16.40806 146.0099       19.89741 149.7000       29.00654 82.73022 5.912627 81.84263 8.793250 0.8875961      10.59624 
1 1 1 13 6  -14 o 57.87600 6.380151 72.07941       14.86948 63.60902       17.89383 90.98000       26.72941 53.36464 8.471649 62.53020 10.83158 -9.165558      13.75107 
1 1 1 13 6  -13 o 54.14306 6.943319 63.52569       15.03953 55.36877       18.21126 81.02000       26.67014 49.42521 9.340611 58.73470 11.50110 -9.309486      14.81628 
1 1 1 13 6  -12 o 71.95999 7.985051 112.9088       23.13284 78.91000       42.95179 126.8000       27.45488 54.45266 17.21060 75.67932 9.038136 -21.22667      19.43946 
1 1 1 13 6  -11 o 61.73522 9.061249 84.49228       22.22446 58.42000       42.09246 94.57000       26.16953 48.26216 17.06433 64.74500 10.20892 -16.48285      19.88500 
1 1 1 13 6  -10 o 81.55759 7.077087 142.2092       23.40061 178.7000       44.31511 128.1000       27.55565 87.70410 12.70974 76.40390 8.979055 11.30020       15.56152 
1 1 1 13 6  -9  o 129.9637 5.371937 353.3470       28.52596 281.8000       47.69276 393.2000       35.59485 112.7235 10.45172 136.5147 6.385405 -23.79116      12.24793 
1 1 1 13 6  -8  o 50.89375 7.250128 55.83007       14.68221 55.99731       18.02199 55.50000       25.31825 50.29505 9.085183 48.68853 12.60253 1.606518       15.53590 
1 1 1 13 6  -7  o 19.69089 8.688986 -2.941422      13.70066 -11.18488      16.73066 13.84000       23.87112 19.56928 9.017054 31.07466 12.41613 -11.50538      15.34495 
1 1 1 13 6  -6  o 52.09637 7.214744 58.27266       14.97789 62.83973       18.81450 50.37000       24.74912 53.53055 8.895627 46.58445 12.65076 6.946106       15.46525 
1 1 1 13 6  -5  o 76.06725 5.235755 120.8749       16.20855 153.0471       20.52656 67.59000       26.41667 85.41454 5.905295 54.25883 12.18847 31.15571       13.54368 
1 1 1 13 6  -4  o 97.64985 4.430151 197.7425       17.66778 207.0909       22.55563 182.9000       28.42093 99.57825 5.553798 92.78596 7.545593 6.792290       9.369132 
1 1 1 13 6  -3  o 34.84993 9.838712 26.93246       14.65138 18.79186       18.54043 40.47000       23.90900 31.26779 11.29435 42.21351 12.75668 -10.94572      17.03805 
1 1 1 13 6  -2  o 135.3988 3.813553 378.5487       21.12206 370.0341       26.69634 392.8000       34.53791 133.5013 4.891891 136.9939 6.172875 -3.492554      7.876230 
1 1 1 13 6  -1  o 122.5632 3.961433 310.4179       19.85483 318.7804       25.40702 297.3000       31.82154 123.8603 5.019934 118.9897 6.556457 4.870575       8.257533 
1 1 1 13 6  0   o 62.56920 6.281555 82.58245       15.87609 83.13557       20.24937 81.70000       25.57670 62.17259 8.150101 60.62634 10.69359 1.546249       13.44534 
1 1 1 13 6  1   o 50.97047 10.03012 57.68730       20.18801 57.68730       20.18801 0.000000       0.000000 50.97047 10.03012 ?        ?        ?              ?        
1 1 1 13 6  2   o 35.20901 9.929195 27.49782       14.93054 29.49274       19.19257 24.44000       23.76163 36.61893 11.49530 35.23334 12.77792 1.385586       17.18770 
1 1 1 13 6  3   o 70.12745 5.692831 103.0919       16.20664 114.2099       21.17262 87.36000       25.18546 73.36366 7.138202 62.93861 10.11521 10.42505       12.38028 
1 1 1 13 6  4   o 19.53367 8.715878 -4.698889      14.17231 -1.795931      18.79488 -8.525000      21.57734 23.59607 10.30119 23.49119 10.59574 0.1048737      14.77783 
1 1 1 13 6  5   o 108.3810 4.624926 243.8807       20.47777 260.9000       29.19557 227.4000       28.72991 111.3954 6.427965 103.8128 6.796004 7.582649       9.354379 
1 1 1 13 6  6   o 66.07911 6.312916 92.30151       16.87381 103.9000       24.15664 81.25000       23.58016 69.20877 8.717101 60.61944 9.836571 8.589329       13.14329 
1 1 1 13 6  7   o 130.0668 4.257451 350.6611       22.64409 368.9000       32.77294 334.0000       31.32339 132.5880 6.052485 126.1323 6.082753 6.455673       8.580935 
1 1 1 13 6  8   o 58.20915 6.532403 72.12368       15.30166 57.12800       20.86053 89.59000       22.51350 50.24850 10.47841 64.02869 8.821212 -13.78020      13.69711 
1 1 1 13 6  9   o 27.43411 9.867571 14.54653       14.13405 35.72146       19.38811 -9.471000      20.64850 39.44278 11.37794 22.50939 10.23725 16.93339       15.30552 
1 1 1 13 6  10  o 64.82249 7.978865 91.25660       20.73197 91.25660       20.73197 0.000000       0.000000 64.82249 7.978865 ?        ?        ?              ?        
1 1 1 13 6  11  o 100.7206 5.725766 213.7387       23.51711 213.7387       23.51711 0.000000       0.000000 100.7206 5.725766 ?        ?        ?              ?        
1 1 1 13 6  12  o 34.08744 11.68106 25.67270       19.64299 25.67270       19.64299 0.000000       0.000000 34.08744 11.68106 ?        ?        ?              ?        
1 1 1 13 6  13  o 106.2513 4.132004 235.0735       17.94282 214.6360       23.70338 262.5000       27.45877 100.7184 5.771643 111.2388 6.051163 -10.52041      8.362323 
1 1 1 13 6  14  o 32.69262 9.648991 24.48783       13.80358 42.29300       19.90700 7.999000       19.15701 42.09603 11.30925 26.35961 10.89993 15.73642       15.70692 
1 1 1 13 6  15  o 68.82140 5.449183 100.6063       15.23080 97.54668       21.65770 103.6000       21.42342 66.32669 8.145249 68.61038 7.761756 -2.283691      11.25122 
1 1 1 13 6  16  o 40.03757 8.766541 36.86747       13.97290 18.75163       20.13688 53.69000       19.40477 30.50242 11.62486 47.69192 10.24249 -17.18950      15.49341 
1 1 1 13 6  17  o 50.33432 6.994051 55.87664       14.02618 63.11584       19.81729 48.61000       19.85479 51.98135 9.666167 44.71717 10.93575 7.264172       14.59539 
1 1 1 13 6  18  o 80.74723 4.852448 138.1758       15.96999 102.6572       21.31816 183.6000       24.10826 67.72717 7.831202 91.96880 6.442533 -24.24163      10.14071 
1 1 1 13 6  19  o 16.92495 7.893164 -9.697547      13.41646 -15.05744      18.40936 -3.626000      19.59342 19.10933 9.016838 22.39878 10.10050 -3.289446      13.53970 
1 1 1 13 6  20  o 85.65896 4.615490 155.9053       16.12903 138.3064       21.35050 179.3000       24.61629 79.13419 6.650475 90.08720 6.721663 -10.95301      9.455663 
1 1 1 13 6  21  o 54.62727 6.713223 66.86929       14.70097 52.91338       19.67965 84.49000       22.11311 45.56165 10.72739 59.18805 9.441092 -13.62640      14.29024 
1 1 1 13 6  22  o 52.62722 7.127712 63.29873       14.96531 68.36239       19.77399 56.51000       22.89582 52.72003 9.509785 45.31750 12.10811 7.402527       15.39618 
1 1 1 13 6  23  o 37.50686 11.61641 38.80306       19.66988 38.80306       19.66988 0.000000       0.000000 37.50686 11.61641 ?        ?        ?              ?        
1 1 1 13 6  24  o 24.21590 10.46665 7.019893       19.00611 7.019893       19.00611 0.000000       0.000000 24.21590 10.46665 ?        ?        ?              ?        
1 1 1 13 6  25  o 37.41178 11.79580 39.26122       20.18777 39.26122       20.18777 0.000000       0.000000 37.41178 11.79580 ?        ?        ?              ?        
1 1 1 13 6  26  o 23.05337 10.80976 -7.926000      25.73499 -7.926000      25.73499 0.000000       0.000000 23.05337 10.80976 ?        ?        ?              ?        
1 1 1 13 6  27  o 24.50530 11.31062 0.8670000      26.48444 0.8670000      26.48444 0.000000       0.000000 24.50530 11.31062 ?        ?        ?              ?        
1 1 1 13 6  28  o 19.51028 9.310658 -12.83474      20.74478 -12.83474      20.74478 0.000000       0.000000 19.51028 9.310658 ?        ?        ?              ?        
1 1 1 13 6  29  f 20.77557 9.739133 -5.434577      20.86629 -5.434577      20.86629 0.000000       0.000000 20.77557 9.739133 ?        ?        ?              ?        
1 1 1 13 7  -27 o 29.53520 10.93345 25.21900       17.53605 27.01544       21.44156 21.59000       30.47488 29.93951 11.83029 28.63027 12.77742 1.309240       17.41317 
1 1 1 13 7  -26 o 19.25951 8.933791 -4.923329      16.83050 5.514148       20.65438 -25.55000      29.03547 23.39130 10.47348 20.97307 10.24644 2.418232       14.65208 
1 1 1 13 7  -25 o 20.71540 9.333755 0.1355865      16.69232 -1.638381      20.58491 3.542000       28.52494 21.95691 10.07492 25.56299 11.77704 -3.606083      15.49848 
1 1 1 13 7  -24 o 26.48368 10.43482 15.94199       16.63860 -4.506181      20.35808 57.08000       28.87561 21.51468 9.925362 41.73655 14.16556 -20.22186      17.29670 
1 1 1 13 7  -23 o 41.59878 9.933247 44.46759       16.68581 40.50735       20.34281 52.61000       29.16938 37.94093 11.82359 40.47715 14.21436 -2.536228      18.48906 
1 1 1 13 7  -22 o 30.98885 10.63745 24.94216       16.29174 9.085935       19.76196 58.58000       28.78354 25.11510 10.76158 43.13063 14.13191 -18.01553      17.76295 
1 1 1 13 7  -21 o 21.66275 10.02880 -6.311801      21.05287 -24.28000      33.58585 5.318000       27.02030 23.68479 11.44208 26.39950 11.88676 -2.714712      16.49898 
1 1 1 13 7  -20 f 30.63187 11.72507 23.65321       20.54340 18.60000       31.38795 27.44000       27.17157 30.57604 13.33092 32.44145 13.14647 -1.865412      18.72280 
1 1 1 13 7  -19 o 29.19560 12.50718 15.11000       26.68180 0.000000       0.000000 15.11000       26.68180 ?        ?        29.19560 12.50718 ?              ?        
1 1 1 13 7  -18 o 34.84801 13.14136 32.07000       25.57128 0.000000       0.000000 32.07000       25.57128 ?        ?        34.84801 13.14136 ?              ?        
1 1 1 13 7  -17 o 36.06345 10.54764 32.50334       16.55821 26.45000       22.12532 40.21000       24.96462 32.94598 12.26501 38.58201 13.17004 -5.636032      17.99668 
1 1 1 13 7  -16 o 32.89573 10.03430 26.10287       14.74590 38.24413       18.13524 2.414000       25.33167 39.17411 10.90570 26.51780 11.75271 12.65631       16.03311 
1 1 1 13 7  -15 o 21.33978 9.133291 2.523849       14.20396 3.671977       17.48343 0.2948000      24.36079 23.54564 10.10624 25.80348 11.47565 -2.257843      15.29139 
1 1 1 13 7  -14 o 72.09510 6.911519 113.7650       20.15387 113.7650       20.15387 0.000000       0.000000 72.09510 6.911519 ?        ?        ?              ?        
1 1 1 13 7  -13 o 20.05482 9.241237 -9.455424      17.57598 -9.455424      17.57598 0.000000       0.000000 20.05482 9.241237 ?        ?        ?              ?        
1 1 1 13 7  -12 o 80.25401 5.108219 136.2745       16.69939 150.1179       21.21041 113.7000       27.08549 83.59375 6.241617 70.44762 9.642343 13.14613       11.48619 
1 1 1 13 7  -11 o 27.46270 9.869883 15.50708       14.13741 14.86278       18.08308 16.52000       22.67334 28.43435 10.97045 30.56704 12.13760 -2.132687      16.36069 
1 1 1 13 7  -10 o 44.97575 8.895841 45.95641       15.80233 33.51000       21.43981 60.76000       23.38204 37.55370 12.18943 50.35918 11.58103 -12.80549      16.81376 
1 1 1 13 7  -9  o 24.79858 9.612981 10.09728       13.93334 -2.218154      17.75156 29.86000       22.48718 22.34290 9.873463 36.09836 12.49300 -13.75546      15.92357 
1 1 1 13 7  -8  o 76.78073 5.069231 124.0208       15.84827 124.6826       20.34734 123.0000       25.26970 76.29858 6.576921 74.76547 8.399289 1.533104       10.66789 
1 1 1 13 7  -7  o 126.6448 3.833369 332.8993       19.85601 336.9485       25.44978 326.6000       31.74293 126.8647 4.908390 124.0387 6.270125 2.825951       7.962836 
1 1 1 13 7  -6  o 22.26978 9.217782 4.412236       13.71882 8.171281       17.95267 -0.8638000     21.26886 26.07062 10.64083 24.87980 10.90751 1.190815       15.23815 
1 1 1 13 7  -5  o 51.85528 7.026749 58.17019       14.53654 51.07166       18.94218 68.34000       22.67263 47.26159 10.09486 54.64249 10.51485 -7.380901      14.57629 
1 1 1 13 7  -4  o 73.06422 5.242380 112.2118       15.57979 110.8200       20.31354 114.2000       24.27937 71.89291 6.988492 72.31198 8.353172 -0.4190750     10.89103 
1 1 1 13 7  -3  o 87.70100 4.628850 160.5194       16.56386 162.6856       21.70705 157.5000       25.62780 87.69425 6.082825 85.63492 7.380578 2.059334       9.564188 
1 1 1 13 7  -2  o 77.00501 6.732658 126.4849       21.01572 143.6000       40.55110 120.2000       24.57325 78.04443 13.15664 74.33876 8.209354 3.705666       15.50776 
1 1 1 13 7  -1  o 93.17706 4.516073 180.9201       17.17905 185.9115       22.90338 174.5000       25.97522 93.83907 5.991925 90.36511 7.076352 3.473961       9.272428 
1 1 1 13 7  0   o 99.72962 4.379307 206.9784       17.83996 206.3135       23.40690 207.9000       27.55713 98.96918 5.801337 98.80862 6.853533 0.1605606      8.979221 
1 1 1 13 7  1   o 44.27350 8.434244 43.49905       14.73209 38.02186       19.21012 51.32000       22.95517 40.50104 11.20506 46.72350 11.95165 -6.222462      16.38277 
1 1 1 13 7  2   o 109.0664 4.149896 247.1139       18.49948 247.2595       23.98074 246.9000       29.07289 108.5522 5.412173 107.8306 6.616338 0.7215118      8.547956 
1 1 1 13 7  3   o 109.5740 4.121135 249.4028       18.45756 255.0291       24.21437 241.6000       28.51580 110.2508 5.379975 106.6766 6.559906 3.574219       8.483896 
1 1 1 13 7  4   o 76.35482 5.195770 122.4430       16.14789 116.5973       21.32506 130.3000       24.72299 73.67781 7.158661 77.54034 7.896693 -3.862526      10.65853 
1 1 1 13 7  5   o 68.28991 5.596959 98.52319       15.51348 96.64288       20.57608 101.0000       23.61533 66.74670 7.667591 67.71502 8.719098 -0.9683151     11.61097 
1 1 1 13 7  6   o 55.45620 6.874815 66.34030       15.27710 62.78643       20.75786 70.54000       22.56529 52.50567 10.02045 55.58252 10.29367 -3.076851      14.36555 
1 1 1 13 7  7   o 20.57213 8.948589 -0.5744458     14.07437 10.63228       19.77875 -12.07000      20.03200 27.76382 11.22885 21.32136 9.839529 6.442461       14.92995 
1 1 1 13 7  8   o 67.80901 5.718014 97.56327       15.72877 94.33156       21.75896 101.1000       22.76265 65.42947 8.308688 67.71963 8.388060 -2.290161      11.80652 
1 1 1 13 7  9   o 71.66029 5.467863 108.7232       15.92314 89.61221       22.16626 129.1000       22.88855 63.39328 8.774336 77.14690 7.333717 -13.75361      11.43557 
1 1 1 13 7  10  o 61.98060 6.083897 82.27563       15.24179 83.28354       21.78981 81.31000       21.32791 60.83674 9.019866 60.15258 8.929647 0.6841660      12.69238 
1 1 1 13 7  11  o 46.81851 8.035547 49.03709       14.85028 30.59334       21.24153 66.67000       20.76936 36.03330 12.14998 53.76076 9.795602 -17.72746      15.60691 
1 1 1 13 7  12  o 45.99490 8.996999 48.52757       16.33740 41.76000       27.59470 52.18000       20.27219 40.70916 13.84738 46.70781 10.81318 -5.998646      17.56915 
1 1 1 13 7  13  o 69.97140 6.320010 105.7927       17.91267 117.4000       29.80552 99.23000       22.41156 70.58127 10.64358 66.43546 8.427882 4.145805       13.57627 
1 1 1 13 7  14  o 51.73320 8.397171 60.83414       17.17862 49.83000       28.18246 67.34000       21.66972 43.37572 13.96667 53.21751 10.31680 -9.841789      17.36388 
1 1 1 13 7  15  o 37.03436 9.446774 32.60889       14.36925 22.62625       20.44146 42.36000       20.20302 31.73530 11.79391 41.11179 11.53467 -9.376493      16.49681 
1 1 1 13 7  16  o 38.42679 10.25254 36.14656       16.43036 60.95000       27.83295 22.88000       20.35554 47.39582 13.62031 31.59799 11.76405 15.79782       17.99738 
1 1 1 13 7  17  o 54.76387 9.464462 71.44803       20.45598 71.44803       20.45598 0.000000       0.000000 54.76387 9.464462 ?        ?        ?              ?        
1 1 1 13 7  18  o 25.16566 11.72943 -9.244000      29.55743 -9.244000      29.55743 0.000000       0.000000 25.16566 11.72943 ?        ?        ?              ?        
1 1 1 13 7  19  o 21.27413 10.14300 -18.52000      24.50125 -18.52000      24.50125 0.000000       0.000000 21.27413 10.14300 ?        ?        ?              ?        
1 1 1 13 7  20  f 35.64949 13.14573 36.67000       25.30765 36.67000       25.30765 0.000000       0.000000 35.64949 13.14573 ?        ?        ?              ?        
1 1 1 13 7  21  o 18.47460 9.116623 -38.82000      24.88339 -38.82000      24.88339 0.000000       0.000000 18.47460 9.116623 ?        ?        ?              ?        
1 1 1 13 7  22  o 20.48792 9.517220 -7.570027      19.20538 -7.570027      19.20538 0.000000       0.000000 20.48792 9.517220 ?        ?        ?              ?        
1 1 1 13 7  23  o 23.88069 10.46309 5.458444       19.54427 5.458444       19.54427 0.000000       0.000000 23.88069 10.46309 ?        ?        ?              ?        
1 1 1 13 7  24  o 48.57372 10.62706 62.46302       20.54772 62.46302       20.54772 0.000000       0.000000 48.57372 10.62706 ?        ?        ?              ?        
1 1 1 13 7  25  o 23.44500 10.43558 4.992126       20.18862 4.992126       20.18862 0.000000       0.000000 23.44500 10.43558 ?        ?        ?              ?        
1 1 1 13 7  26  o 37.55062 12.28486 44.37857       21.75487 44.37857       21.75487 0.000000       0.000000 37.55062 12.28486 ?        ?        ?              ?        
1 1 1 13 7  27  o 22.24902 10.20271 1.089559       21.06669 1.089559       21.06669 0.000000       0.000000 22.24902 10.20271 ?        ?        ?              ?        
1 1 1 13 8  -25 o 25.27088 12.14809 -4.578000      36.75986 -4.578000      36.75986 0.000000       0.000000 25.27088 12.14809 ?        ?        ?              ?        
1 1 1 13 8  -24 o 17.70321 8.457795 -13.07533      17.22020 -12.44487      20.94614 -14.39000      30.24711 19.63866 9.367436 22.69638 10.93815 -3.057720      14.40111 
1 1 1 13 8  -23 o 35.97346 10.83874 36.56295       17.27848 21.98282       20.92273 67.83000       30.63947 28.79194 11.58285 43.69923 14.59073 -14.90729      18.62933 
1 1 1 13 8  -22 o 23.67154 10.01337 8.997019       16.72955 9.542812       20.60081 7.940000       28.66893 25.05770 10.86357 26.75535 12.12654 -1.697657      16.28098 
1 1 1 13 8  -21 o 19.56305 8.988508 -4.905463      16.45996 -5.712662      20.14874 -3.286000      28.53930 21.24260 9.826155 24.93365 11.58896 -3.691050      15.19399 
1 1 1 13 8  -20 o 34.10987 10.78036 31.08330       16.85239 43.35300       21.00240 8.902000       28.23874 39.17740 11.98013 27.44507 12.27052 11.73233       17.14903 
1 1 1 13 8  -19 o 25.73532 11.04395 9.953906       20.87081 -19.47000      31.69090 32.49000       27.73472 23.65322 11.34668 33.79617 13.42275 -10.14295      17.57605 
1 1 1 13 8  -18 o 49.72931 8.705566 59.86969       17.08146 54.08389       21.17138 70.66000       28.91242 44.55741 11.51980 48.15199 13.89559 -3.594582      18.04975 
1 1 1 13 8  -17 o 56.75287 7.499413 74.51052       17.00157 79.58988       20.97845 64.79000       29.02106 57.01916 9.305886 45.94564 14.08886 11.07352       16.88477 
1 1 1 13 8  -16 o 35.37093 10.36497 32.21216       15.97637 43.85775       19.94307 11.35000       26.69260 40.40549 11.50306 28.13221 12.27894 12.27328       16.82536 
1 1 1 13 8  -15 o 20.19000 9.009133 -1.321279      15.14381 5.205565       19.09682 -12.38000      24.85775 24.16280 10.46760 22.61353 10.61002 1.549269       14.90447 
1 1 1 13 8  -14 o 52.56602 7.641141 63.09526       15.96576 53.23743       20.28111 79.16000       25.89034 45.77182 10.96517 55.34944 11.78515 -9.577621      16.09735 
1 1 1 13 8  -13 o 20.35819 9.221268 -4.448909      16.54590 -14.21000      23.52968 5.099000       23.27132 21.99936 10.32213 26.21299 11.45268 -4.213629      15.41785 
1 1 1 13 8  -12 o 71.25648 6.597592 111.3940       19.03160 121.9000       26.73465 100.6000       27.09852 72.37241 9.231303 64.45908 10.63758 7.913338       14.08457 
1 1 1 13 8  -11 o 55.14617 8.232388 69.17367       18.02099 61.36000       25.44284 77.04000       25.52844 48.67927 12.65034 55.71407 11.56894 -7.034798      17.14268 
1 1 1 13 8  -10 o 75.33951 5.464097 121.3618       16.74187 113.5088       21.35048 133.9000       26.97788 71.61592 7.386555 76.73159 8.742102 -5.115669      11.44489 
1 1 1 13 8  -9  o 58.79036 6.738797 75.65466       15.92945 68.58962       20.51577 86.38000       25.27762 54.23420 9.588947 60.19631 10.64445 -5.962112      14.32663 
1 1 1 13 8  -8  o 51.96779 9.752881 63.12417       19.99146 63.12417       19.99146 0.000000       0.000000 51.96779 9.752881 ?        ?        ?              ?        
1 1 1 13 8  -7  o 55.13953 9.062479 69.54317       19.75114 69.54317       19.75114 0.000000       0.000000 55.13953 9.062479 ?        ?        ?              ?        
1 1 1 13 8  -6  o 79.93057 6.676518 138.3097       21.65239 138.3097       21.65239 0.000000       0.000000 79.93057 6.676518 ?        ?        ?              ?        
1 1 1 13 8  -5  o 116.5116 4.081149 283.4427       19.44039 284.8046       25.09785 281.4000       30.73719 116.0241 5.296765 114.3213 6.594157 1.702850       8.458052 
1 1 1 13 8  -4  o 26.42875 9.846718 13.47567       14.26611 3.482248       18.95896 26.52000       21.66050 24.59252 10.53922 34.20528 12.22594 -9.612755      16.14153 
1 1 1 13 8  -3  o 25.02020 9.739976 10.43917       14.35073 2.405379       19.21607 20.57000       21.57878 24.41654 10.53872 31.77809 12.05201 -7.361549      16.00986 
1 1 1 13 8  -2  o 17.31401 8.054703 -10.37476      13.83519 -15.55008      18.82560 -4.297000      20.40104 19.63255 9.218340 23.18796 10.39372 -3.555412      13.89271 
1 1 1 13 8  -1  o 70.42490 5.579757 105.4433       15.95895 113.8821       21.42713 94.93000       23.91621 72.25718 7.343925 64.75384 9.285252 7.503342       11.83846 
1 1 1 13 8  0   f 53.68148 8.066223 64.08646       17.18268 63.13000       25.78925 64.85000       23.04210 50.65984 12.50813 52.26667 11.10913 -1.606827      16.72920 
1 1 1 13 8  1   o 45.29003 8.400920 46.23313       15.00601 47.92207       20.41951 44.25000       22.12654 44.73045 11.18017 42.56035 12.11638 2.170094       16.48644 
1 1 1 13 8  2   o 88.70303 4.749633 165.3726       17.18844 148.5371       22.61509 188.4000       26.44893 82.98811 6.712393 93.33672 6.970740 -10.34861      9.677160 
1 1 1 13 8  3   o 64.76197 5.989333 89.83663       15.70277 91.89597       21.37051 87.42000       23.15024 64.24096 8.319340 61.95916 9.421218 2.281803       12.56864 
1 1 1 13 8  4   o 59.09344 6.553260 75.62293       15.59074 63.35022       21.07443 90.46000       23.17179 52.05006 10.25296 63.11201 9.240205 -11.06195      13.80234 
1 1 1 13 8  5   o 90.06450 5.351722 171.9446       19.64758 155.3000       30.38858 183.9000       25.75461 82.97755 9.092593 92.14956 6.875091 -9.172005      11.39922 
1 1 1 13 8  6   o 39.96338 9.177408 37.05384       14.70063 21.77744       20.27976 53.97000       21.34043 31.80864 11.76086 47.25388 11.20098 -15.44524      16.24130 
1 1 1 13 8  7   o 67.58231 5.742406 97.77829       15.74067 85.56183       21.22777 112.7000       23.46070 61.52473 8.665956 71.04475 8.215857 -9.520012      11.94149 
1 1 1 13 8  8   o 48.64457 7.717705 52.96974       14.85989 52.47287       20.49891 53.52000       21.57227 46.54224 10.94177 46.73320 11.38071 -0.1909599     15.78742 
1 1 1 13 8  9   o 40.00197 9.283317 37.55608       14.91182 21.46926       20.99268 53.94000       21.18564 31.55253 11.90506 46.93852 11.18271 -15.38599      16.33350 
1 1 1 13 8  10  o 53.04135 7.181550 62.39466       15.19725 50.10886       21.49235 74.68000       21.49195 44.79886 11.61926 56.50137 9.634803 -11.70250      15.09426 
1 1 1 13 8  11  o 48.15046 9.317358 54.43921       17.70617 27.16000       30.17090 68.77000       21.86792 34.83360 13.94495 53.50308 10.35605 -18.66948      17.36978 
1 1 1 13 8  12  o 25.53905 10.30583 10.62845       16.61900 26.78000       28.75807 2.530000       20.36356 34.23771 13.64522 24.43850 10.69452 9.799212       17.33680 
1 1 1 13 8  13  o 55.49902 8.089920 70.53296       17.84406 52.37000       29.04869 81.54000       22.61353 43.05991 14.20138 58.37459 9.808104 -15.31468      17.25914 
1 1 1 13 8  14  o 70.78370 5.699792 108.8623       16.38068 99.99666       22.13309 119.6000       24.35797 65.66870 8.424976 71.85944 8.438773 -6.190742      11.92448 
1 1 1 13 8  15  o 38.40497 9.486378 36.34855       14.82920 28.23498       20.60869 45.06000       21.35451 33.10691 11.91431 40.89486 11.98310 -7.787952      16.89809 
1 1 1 13 8  16  o 50.21619 10.32806 63.73933       20.52734 63.73933       20.52734 0.000000       0.000000 50.21619 10.32806 ?        ?        ?              ?        
1 1 1 13 8  17  o 30.93717 11.70216 24.46197       20.31244 24.46197       20.31244 0.000000       0.000000 30.93717 11.70216 ?        ?        ?              ?        
1 1 1 13 8  18  o 29.09552 11.45483 20.26666       20.03640 20.26666       20.03640 0.000000       0.000000 29.09552 11.45483 ?        ?        ?              ?        
1 1 1 13 8  19  o 46.78588 11.20599 58.61087       21.18485 58.61087       21.18485 0.000000       0.000000 46.78588 11.20599 ?        ?        ?              ?        
1 1 1 13 8  20  o 34.04418 13.80990 33.59000       30.01805 33.59000       30.01805 0.000000       0.000000 34.04418 13.80990 ?        ?        ?              ?        
1 1 1 13 8  21  o 25.83450 11.96353 -0.6803000     29.99103 -0.6803000     29.99103 0.000000       0.000000 25.83450 11.96353 ?        ?        ?              ?        
1 1 1 13 8  22  o 20.43979 10.10451 -41.67000      31.05420 -41.67000      31.05420 0.000000       0.000000 20.43979 10.10451 ?        ?        ?              ?        
1 1 1 13 8  23  o 26.52425 11.19672 15.32033       20.84587 15.32033       20.84587 0.000000       0.000000 26.52425 11.19672 ?        ?        ?              ?        
1 1 1 13 8  24  o 50.90826 10.85941 72.38396       21.94623 72.38396       21.94623 0.000000       0.000000 50.90826 10.85941 ?        ?        ?              ?        
1 1 1 13 8  25  o 25.34771 11.02505 13.06014       21.36049 13.06014       21.36049 0.000000       0.000000 25.34771 11.02505 ?        ?        ?              ?        
1 1 1 13 9  -22 f 42.46794 10.60750 50.89125       18.39024 34.53743       22.40942 84.62000       32.18260 32.75331 12.31276 47.76622 14.86930 -15.01291      19.30544 
1 1 1 13 9  -21 o 29.97748 11.06589 25.63303       17.94122 17.39646       21.72258 43.31000       31.82308 27.01294 11.41772 34.43086 14.12326 -7.417925      18.16125 
1 1 1 13 9  -20 f 24.83019 10.34044 12.31234       17.41325 11.02518       21.22809 14.96000       30.44574 25.37846 11.01503 28.15347 12.65207 -2.775005      16.77516 
1 1 1 13 9  -19 o 47.87914 9.440066 58.21299       17.84934 56.88371       21.76926 60.94000       31.18012 44.78206 11.73311 41.90958 14.69776 2.872478       18.80665 
1 1 1 13 9  -18 o 25.05812 10.77106 9.320788       19.91370 -5.411000      26.47333 28.52000       30.22196 23.84194 11.10850 32.31910 13.55255 -8.477161      17.52342 
1 1 1 13 9  -17 o 49.71494 8.954733 60.53811       17.55869 72.52052       21.71395 37.90000       29.84605 53.09026 10.36054 35.31829 13.95699 17.77197       17.38213 
1 1 1 13 9  -16 o 44.54869 9.611294 49.95418       17.01698 63.00349       21.27364 26.77000       28.35592 48.89767 10.90306 32.06205 13.25985 16.83563       17.16684 
1 1 1 13 9  -15 o 50.19081 8.659516 60.91865       17.15398 60.27754       21.40355 62.07000       28.68293 47.48528 11.19212 44.59910 14.06010 2.886177       17.97081 
1 1 1 13 9  -14 o 23.77093 9.904162 8.925731       15.98623 12.28332       20.14092 3.209000       26.28086 26.29180 11.04682 25.74589 11.64554 0.5459175      16.05151 
1 1 1 13 9  -13 o 24.32925 9.982831 10.26363       15.90579 3.103566       20.17940 22.01000       25.84650 23.64782 10.48471 30.62464 12.66191 -6.976826      16.43938 
1 1 1 13 9  -12 o 55.17910 7.679803 70.56624       16.88239 53.68453       21.23596 99.56000       27.83017 44.75592 11.52006 61.70576 11.43553 -16.94984      16.23216 
1 1 1 13 9  -11 o 55.93493 7.466833 71.68751       16.67509 84.88647       21.67333 52.54000       26.10428 59.38684 9.210891 42.61261 13.41043 16.77423       16.26899 
1 1 1 13 9  -10 o 34.00312 10.43334 29.28174       15.91192 38.71228       20.86703 16.18000       24.59558 37.96824 11.99541 29.29114 12.25055 8.677103       17.14543 
1 1 1 13 9  -9  o 25.04822 9.957921 11.45336       15.27843 14.43258       20.64626 7.847000       22.71560 27.89334 11.40116 26.48372 11.44469 1.409618       16.15448 
1 1 1 13 9  -8  o 81.99239 5.253105 144.4468       17.54379 117.9567       22.86064 182.4000       27.36340 71.98254 7.884849 90.06203 7.487664 -18.07948      10.87364 
1 1 1 13 9  -7  o 18.73467 8.549956 -5.739434      14.56138 -2.745098      19.79169 -9.273000      21.50003 22.59724 10.17413 21.95006 10.15232 0.6471825      14.37297 
1 1 1 13 9  -6  o 31.72933 11.04253 24.07306       17.58020 -13.49000      26.90496 52.06000       23.22360 23.78835 11.12147 44.63583 12.30892 -20.84748      16.58905 
1 1 1 13 9  -5  o 101.2121 5.177776 218.6071       21.38723 215.1000       32.12135 221.4000       28.66510 97.58479 8.112010 100.1683 7.033443 -2.583496      10.73657 
1 1 1 13 9  -4  o 74.08717 6.369360 119.6971       19.13513 151.7000       29.50304 96.46000       25.13992 81.08273 9.039725 63.77211 9.952276 17.31062       13.44487 
1 1 1 13 9  -3  o 36.36975 9.791208 31.87543       14.90258 18.01179       20.18973 48.47000       22.08895 29.67742 11.55282 43.51788 12.00596 -13.84046      16.66166 
1 1 1 13 9  -2  o 22.23233 9.340058 4.714310       14.39535 4.754901       19.92627 4.670000       20.81929 24.98872 10.75824 25.35853 10.95751 -0.3698063     15.35600 
1 1 1 13 9  -1  o 45.24096 14.80727 57.20000       31.60419 57.20000       31.60419 0.000000       0.000000 45.24096 14.80727 ?        ?        ?              ?        
1 1 1 13 9  0   o 33.36943 13.41153 23.55000       28.02205 23.55000       28.02205 0.000000       0.000000 33.36943 13.41153 ?        ?        ?              ?        
1 1 1 13 9  1   o 61.67910 8.847267 87.53661       21.70566 87.53661       21.70566 0.000000       0.000000 61.67910 8.847267 ?        ?        ?              ?        
1 1 1 13 9  2   o 24.65966 9.907723 9.620291       15.28761 17.54741       20.16496 -1.094000      23.44344 29.51694 11.52984 24.98166 11.17390 4.535290       16.05594 
1 1 1 13 9  3   o 58.47924 8.261153 77.86894       19.23154 72.67000       31.43115 80.98000       24.31404 51.32351 14.38273 57.82770 10.66094 -6.504185      17.90304 
1 1 1 13 9  4   o 53.04892 8.963309 65.45779       18.77721 56.62000       30.75501 70.71000       23.70908 44.94834 14.59999 53.47347 11.18806 -8.525131      18.39382 
1 1 1 13 9  5   o 33.90903 11.18085 28.29070       18.00627 62.70000       30.29289 9.491000       22.39124 47.31919 14.37166 27.29941 11.56791 20.01978       18.44888 
1 1 1 13 9  6   o 73.61628 6.634257 119.1375       19.78385 87.87000       31.27312 140.0000       25.54513 57.19048 13.56141 78.61452 8.049136 -21.42404      15.77024 
1 1 1 13 9  7   o 31.75896 10.26896 24.45553       15.22486 19.88340       20.91423 29.61000       22.20622 30.25976 11.76426 34.34233 12.36638 -4.082567      17.06825 
1 1 1 13 9  8   o 57.90053 6.932614 74.88476       16.10995 77.35676       22.02396 72.04000       23.62616 56.60847 9.859525 53.46299 11.15367 3.145473       14.88673 
1 1 1 13 9  9   o 62.44294 6.528828 86.44260       16.44691 50.30538       21.85838 133.6000       24.96982 43.60517 11.90864 76.24420 8.122980 -32.63903      14.41522 
1 1 1 13 9  10  o 76.93349 5.553751 128.5393       17.37774 115.3409       23.11373 145.7000       26.35587 70.61069 8.143188 79.32618 8.233644 -8.715485      11.58035 
1 1 1 13 9  11  o 29.69521 10.40918 21.56483       15.63777 9.601601       20.46787 38.34000       24.23716 25.93895 11.02839 36.98966 12.95949 -11.05072      17.01687 
1 1 1 13 9  12  o 33.37663 11.89814 29.75250       20.50100 29.75250       20.50100 0.000000       0.000000 33.37663 11.89814 ?        ?        ?              ?        
1 1 1 13 9  13  o 16.16924 7.998318 -35.35071      19.56665 -35.35071      19.56665 0.000000       0.000000 16.16924 7.998318 ?        ?        ?              ?        
1 1 1 13 9  14  o 55.46938 9.682714 76.70599       21.19285 76.70599       21.19285 0.000000       0.000000 55.46938 9.682714 ?        ?        ?              ?        
1 1 1 13 9  15  o 24.95085 10.74255 8.434542       19.87040 8.434542       19.87040 0.000000       0.000000 24.95085 10.74255 ?        ?        ?              ?        
1 1 1 13 9  16  o 44.90341 11.50299 54.92987       21.24248 54.92987       21.24248 0.000000       0.000000 44.90341 11.50299 ?        ?        ?              ?        
1 1 1 13 9  17  o 35.45364 13.96501 38.32000       29.79324 38.32000       29.79324 0.000000       0.000000 35.45364 13.96501 ?        ?        ?              ?        
1 1 1 13 9  18  o 25.39039 11.02367 9.027977       21.27516 9.027977       21.27516 0.000000       0.000000 25.39039 11.02367 ?        ?        ?              ?        
1 1 1 13 9  19  o 26.11777 11.11971 12.74952       20.85797 12.74952       20.85797 0.000000       0.000000 26.11777 11.11971 ?        ?        ?              ?        
1 1 1 13 9  20  f 35.39939 12.27443 38.31535       21.71174 38.31535       21.71174 0.000000       0.000000 35.39939 12.27443 ?        ?        ?              ?        
1 1 1 13 9  21  o 33.84987 12.23000 36.01217       21.74119 36.01217       21.74119 0.000000       0.000000 33.84987 12.23000 ?        ?        ?              ?        
1 1 1 13 9  22  f 27.28765 11.45241 19.11893       21.60941 19.11893       21.60941 0.000000       0.000000 27.28765 11.45241 ?        ?        ?              ?        
1 1 1 13 10 -19 f 22.36245 9.951872 5.162892       18.35167 12.44257       22.35103 -9.898000      32.14894 25.41768 11.16128 23.64003 11.36323 1.777651       15.92787 
1 1 1 13 10 -18 o 23.02354 10.45306 3.251734       21.41374 23.52000       28.75321 -21.99000      32.08763 29.26429 12.75908 22.31038 10.87158 6.953917       16.76262 
1 1 1 13 10 -17 o 51.47589 9.181917 67.69372       18.64363 65.32424       22.94303 72.30000       31.98897 47.22717 11.87732 44.35993 14.90996 2.867233       19.06247 
1 1 1 13 10 -16 o 25.86103 10.58359 14.60163       17.81879 9.571419       21.60872 25.29000       31.49865 25.17470 11.01666 30.72669 13.37611 -5.551983      17.32879 
1 1 1 13 10 -15 o 29.21061 10.94023 22.16697       17.65697 24.84775       21.54276 16.68000       30.82028 30.43364 11.90868 29.14653 12.93819 1.287113       17.58446 
1 1 1 13 10 -14 o 19.69946 9.090818 -5.712154      17.09792 -9.589552      20.62734 2.801000       30.56457 20.64096 9.678327 26.59273 12.22940 -5.951765      15.59578 
1 1 1 13 10 -13 o 77.18718 6.076632 132.6714       19.05102 107.1346       23.21745 185.3000       33.33056 66.60384 8.722574 86.44905 9.576219 -19.84521      12.95327 
1 1 1 13 10 -12 o 21.94143 9.675132 2.437095       16.95822 -23.13187      20.95372 50.98000       28.87138 18.54148 8.976753 40.06829 14.13567 -21.52681      16.74512 
1 1 1 13 10 -11 o 66.43774 6.869321 100.4046       18.41836 106.3551       22.66358 88.83000       31.60852 66.72456 8.486808 54.09605 14.12099 12.62850       16.47508 
1 1 1 13 10 -10 o 59.23142 7.422979 81.24017       17.60913 62.48080       21.86117 115.9000       29.71512 48.30935 11.26032 66.21224 11.36954 -17.90290      16.00191 
1 1 1 13 10 -9  o 49.23034 8.757928 58.82210       17.00754 56.49854       21.74850 62.48000       27.28775 45.44437 11.63794 45.43575 13.60549 0.8621216E-02  17.90394 
1 1 1 13 10 -8  o 45.18133 9.394933 50.81433       16.81374 48.99209       21.67128 53.57000       26.64984 41.83027 12.01772 41.96829 13.58749 -0.1380196     18.13961 
1 1 1 13 10 -7  o 104.0713 5.444968 236.2161       23.12263 206.8000       33.23894 263.8000       32.18711 92.86176 8.848327 107.3244 7.368901 -14.46262      11.51493 
1 1 1 13 10 -6  o 35.60715 11.63704 34.63118       19.52331 27.00000       31.24304 39.52000       25.00690 32.64494 13.73991 36.81351 13.13888 -4.168575      19.01092 
1 1 1 13 10 -5  o 66.84231 7.667099 103.3632       20.60548 82.84000       32.26423 117.5000       26.77777 51.90462 14.58159 69.01566 9.746486 -17.11103      17.53900 
1 1 1 13 10 -4  o 23.00193 10.18291 2.254855       18.96371 -6.251000      29.79944 8.044000       24.58422 25.31572 11.79199 26.61748 11.69629 -1.301758      16.60886 
1 1 1 13 10 -3  o 20.65491 9.518099 -6.414472      18.64729 -51.28000      29.78079 22.52000       23.91595 19.55094 9.705432 30.80084 12.38625 -11.24990      15.73577 
1 1 1 13 10 -2  o 23.23757 9.772010 7.128692       15.78201 -10.55902      20.97674 30.20000       23.95732 20.97578 9.810953 33.60115 12.70903 -12.62537      16.05535 
1 1 1 13 10 -1  o 25.48315 10.15297 12.63582       15.91663 14.50049       21.11152 10.18000       24.22796 27.63833 11.43686 27.20061 11.78694 0.4377213      16.42357 
1 1 1 13 10 0   o 30.97797 10.67464 24.15598       16.41077 25.85938       20.90420 21.42000       26.49304 31.86018 11.90965 30.92256 12.80537 0.9376221      17.48763 
1 1 1 13 10 1   o 55.53596 7.727613 71.35648       17.09757 45.61596       22.01270 110.5000       27.14530 40.62664 12.23231 66.57129 10.28974 -25.94465      15.98462 
1 1 1 13 10 2   o 22.22981 9.978909 -0.6576318     18.88118 -8.046000      28.95074 4.811000       24.90719 24.80823 11.57796 26.01764 11.58526 -1.209406      16.37887 
1 1 1 13 10 3   o 16.83890 8.242356 -28.53749      19.05455 -52.96000      29.12423 -10.26000      25.19518 19.11292 9.506399 22.93468 10.73533 -3.821770      14.33942 
1 1 1 13 10 4   o 26.61787 10.89546 13.58416       18.88904 10.72000       28.11724 15.94000       25.50035 28.24389 12.45602 28.97470 12.31406 -0.7308140     17.51538 
1 1 1 13 10 5   o 35.73487 10.53716 33.34470       16.46802 1.654013       21.55984 77.73000       25.51522 23.88328 10.69667 53.68523 11.91786 -29.80195      16.01419 
1 1 1 13 10 6   o 24.90499 10.82861 6.972801       20.59070 6.972801       20.59070 0.000000       0.000000 24.90499 10.82861 ?        ?        ?              ?        
1 1 1 13 10 7   o 23.31008 10.44453 1.299624       20.57985 1.299624       20.57985 0.000000       0.000000 23.31008 10.44453 ?        ?        ?              ?        
1 1 1 13 10 8   o 53.81218 10.56674 74.65261       22.45205 74.65261       22.45205 0.000000       0.000000 53.81218 10.56674 ?        ?        ?              ?        
1 1 1 13 10 9   o 23.61930 10.53158 2.677582       20.65485 2.677582       20.65485 0.000000       0.000000 23.61930 10.53158 ?        ?        ?              ?        
1 1 1 13 10 10  o 36.99632 12.26868 39.04959       21.67108 39.04959       21.67108 0.000000       0.000000 36.99632 12.26868 ?        ?        ?              ?        
1 1 1 13 10 11  o 32.58830 12.00975 28.88509       21.11740 28.88509       21.11740 0.000000       0.000000 32.58830 12.00975 ?        ?        ?              ?        
1 1 1 13 10 12  o 35.98072 12.30569 36.97714       21.79741 36.97714       21.79741 0.000000       0.000000 35.98072 12.30569 ?        ?        ?              ?        
1 1 1 13 10 13  o 65.71384 8.782283 104.5195       23.04027 104.5195       23.04027 0.000000       0.000000 65.71384 8.782283 ?        ?        ?              ?        
1 1 1 13 10 14  o 22.14786 10.19852 -3.956508      21.35274 -3.956508      21.35274 0.000000       0.000000 22.14786 10.19852 ?        ?        ?              ?        
1 1 1 13 10 15  o 22.90521 10.43457 -0.2677540     21.56437 -0.2677540     21.56437 0.000000       0.000000 22.90521 10.43457 ?        ?        ?              ?        
1 1 1 13 10 16  o 30.53492 12.09545 26.04939       22.46468 26.04939       22.46468 0.000000       0.000000 30.53492 12.09545 ?        ?        ?              ?        
1 1 1 13 10 17  o 27.56734 12.66826 11.41000       32.71393 11.41000       32.71393 0.000000       0.000000 27.56734 12.66826 ?        ?        ?              ?        
1 1 1 13 10 18  o 19.93442 9.535963 -13.52767      22.04095 -13.52767      22.04095 0.000000       0.000000 19.93442 9.535963 ?        ?        ?              ?        
1 1 1 13 10 19  f 45.96220 12.03277 64.35278       22.90729 64.35278       22.90729 0.000000       0.000000 45.96220 12.03277 ?        ?        ?              ?        
1 1 1 13 11 -15 o 43.81428 15.88321 82.29000       36.70897 82.29000       36.70897 0.000000       0.000000 43.81428 15.88321 ?        ?        ?              ?        
1 1 1 13 11 -14 o 26.37751 12.39376 5.337000       34.12895 5.337000       34.12895 0.000000       0.000000 26.37751 12.39376 ?        ?        ?              ?        
1 1 1 13 11 -13 f 33.74256 14.46207 42.04000       35.70630 42.04000       35.70630 0.000000       0.000000 33.74256 14.46207 ?        ?        ?              ?        
1 1 1 13 11 -12 o 23.49365 10.74739 1.534138       23.18762 7.404000       34.02846 -3.554000      31.68165 27.23596 12.65749 24.99261 11.80375 2.243357       17.30725 
1 1 1 13 11 -11 o 31.70060 11.24440 28.35606       18.28900 22.81103       22.99619 37.90000       30.16949 29.41145 12.02837 33.99570 13.82459 -4.584257      18.32487 
1 1 1 13 11 -10 o 23.51761 10.11629 7.714039       17.59059 4.641936       21.75866 13.51000       29.88663 24.06904 10.76536 28.14560 12.60070 -4.076559      16.57318 
1 1 1 13 11 -9  o 72.15790 6.621702 118.4743       19.34697 108.2899       23.62699 139.2000       33.70512 66.41191 8.913195 70.93594 12.03353 -4.524033      14.97501 
1 1 1 13 11 -8  o 26.14514 10.52168 14.60180       17.27104 16.79780       21.23477 10.31000       29.68593 27.76523 11.47798 27.83906 12.50343 -0.7382965E-01 16.97291 
1 1 1 13 11 -7  o 35.10937 10.97541 33.52046       17.51440 35.10161       21.93615 30.74000       29.08923 34.92512 12.32145 32.97461 13.51188 1.950508       18.28631 
1 1 1 13 11 -6  o 39.49657 10.76233 41.74902       17.87620 27.49049       22.28693 67.47000       29.93344 31.86782 12.20890 45.97001 14.34499 -14.10219      18.83709 
1 1 1 13 11 -5  o 34.90843 10.95887 32.90239       17.44289 34.91372       21.54881 29.08000       29.70642 35.04411 12.22369 32.68616 13.54988 2.357944       18.24878 
1 1 1 13 11 -4  o 28.33438 10.76451 19.44900       17.23256 8.367093       21.71486 38.30000       28.32155 25.48501 11.10004 35.58464 13.72922 -10.09962      17.65509 
1 1 1 13 11 -3  o 22.71568 9.819150 5.220567       16.73046 15.44654       21.80924 -9.403000      26.08044 27.65588 11.54896 23.13436 10.85865 4.521524       15.85209 
1 1 1 13 11 -2  o 53.77001 11.08511 76.35850       23.59501 76.35850       23.59501 0.000000       0.000000 53.77001 11.08511 ?        ?        ?              ?        
1 1 1 13 11 -1  o 38.08088 12.73127 42.45741       23.32651 42.45741       23.32651 0.000000       0.000000 38.08088 12.73127 ?        ?        ?              ?        
1 1 1 13 11 0   o 32.53685 12.37429 28.89850       22.78705 28.89850       22.78705 0.000000       0.000000 32.53685 12.37429 ?        ?        ?              ?        
1 1 1 13 11 1   o 29.35824 11.83808 20.42023       21.90999 20.42023       21.90999 0.000000       0.000000 29.35824 11.83808 ?        ?        ?              ?        
1 1 1 13 11 2   o 22.56109 10.29527 -2.263503      21.10673 -2.263503      21.10673 0.000000       0.000000 22.56109 10.29527 ?        ?        ?              ?        
1 1 1 13 11 3   o 34.26371 12.18995 32.99081       21.50870 32.99081       21.50870 0.000000       0.000000 34.26371 12.18995 ?        ?        ?              ?        
1 1 1 13 11 4   o 38.34729 12.48680 42.64771       22.48889 42.64771       22.48889 0.000000       0.000000 38.34729 12.48680 ?        ?        ?              ?        
1 1 1 13 11 5   o 42.33546 12.22414 51.07469       22.36918 51.07469       22.36918 0.000000       0.000000 42.33546 12.22414 ?        ?        ?              ?        
1 1 1 13 11 6   o 51.34698 11.14944 70.33671       22.76873 70.33671       22.76873 0.000000       0.000000 51.34698 11.14944 ?        ?        ?              ?        
1 1 1 13 11 7   o 26.16456 11.23249 11.22011       21.60509 11.22011       21.60509 0.000000       0.000000 26.16456 11.23249 ?        ?        ?              ?        
1 1 1 13 11 8   o 27.77946 11.57687 16.48551       21.84900 16.48551       21.84900 0.000000       0.000000 27.77946 11.57687 ?        ?        ?              ?        
1 1 1 13 11 9   o 20.63216 9.762490 -12.17285      21.86063 -12.17285      21.86063 0.000000       0.000000 20.63216 9.762490 ?        ?        ?              ?        
1 1 1 13 11 10  o 21.23129 9.987947 -9.328112      22.28425 -9.328112      22.28425 0.000000       0.000000 21.23129 9.987947 ?        ?        ?              ?        
1 1 1 13 11 11  o 28.98083 13.05194 16.84000       32.59771 16.84000       32.59771 0.000000       0.000000 28.98083 13.05194 ?        ?        ?              ?        
1 1 1 13 11 12  o 37.15588 14.71777 51.61000       33.26058 51.61000       33.26058 0.000000       0.000000 37.15588 14.71777 ?        ?        ?              ?        
1 1 1 13 11 13  f 46.45005 15.38969 82.46000       34.10136 82.46000       34.10136 0.000000       0.000000 46.45005 15.38969 ?        ?        ?              ?        
1 1 1 13 11 14  o 22.68006 10.52024 -0.9699227     23.33676 -0.9699227     23.33676 0.000000       0.000000 22.68006 10.52024 ?        ?        ?              ?        
1 1 1 13 11 15  o 43.91976 12.79698 62.38987       24.41404 62.38987       24.41404 0.000000       0.000000 43.91976 12.79698 ?        ?        ?              ?        
1 1 1 13 12 -10 o 24.41845 11.75357 -7.854000      34.67154 -7.854000      34.67154 0.000000       0.000000 24.41845 11.75357 ?        ?        ?              ?        
1 1 1 13 12 -9  o 26.65754 11.59651 16.27055       23.63969 16.27055       23.63969 0.000000       0.000000 26.65754 11.59651 ?        ?        ?              ?        
1 1 1 13 12 -8  o 40.61465 12.97597 54.72755       24.36044 54.72755       24.36044 0.000000       0.000000 40.61465 12.97597 ?        ?        ?              ?        
1 1 1 13 12 -7  o 23.41808 10.74785 2.372182       23.44494 2.372182       23.44494 0.000000       0.000000 23.41808 10.74785 ?        ?        ?              ?        
1 1 1 13 12 -6  o 20.86296 9.931110 -11.14343      23.29690 -11.14343      23.29690 0.000000       0.000000 20.86296 9.931110 ?        ?        ?              ?        
1 1 1 13 12 -5  f 24.21353 10.93073 5.883455       23.01921 5.883455       23.01921 0.000000       0.000000 24.21353 10.93073 ?        ?        ?              ?        
1 1 1 13 12 -4  o 27.46380 11.66574 18.01261       22.86503 18.01261       22.86503 0.000000       0.000000 27.46380 11.66574 ?        ?        ?              ?        
1 1 1 13 12 -3  o 30.81863 12.25933 28.06295       23.17010 28.06295       23.17010 0.000000       0.000000 30.81863 12.25933 ?        ?        ?              ?        
1 1 1 13 12 -2  o 23.89822 10.83362 4.007646       22.89455 4.007646       22.89455 0.000000       0.000000 23.89822 10.83362 ?        ?        ?              ?        
1 1 1 13 12 -1  o 24.58353 11.67060 -6.099000      31.74171 -6.099000      31.74171 0.000000       0.000000 24.58353 11.67060 ?        ?        ?              ?        
1 1 1 13 12 0   o 17.32959 8.579086 -35.86541      22.67409 -35.86541      22.67409 0.000000       0.000000 17.32959 8.579086 ?        ?        ?              ?        
1 1 1 13 12 1   o 30.12940 13.34953 24.07000       32.65963 24.07000       32.65963 0.000000       0.000000 30.12940 13.34953 ?        ?        ?              ?        
1 1 1 13 12 2   o 37.49383 12.72398 44.83732       23.29748 44.83732       23.29748 0.000000       0.000000 37.49383 12.72398 ?        ?        ?              ?        
1 1 1 13 12 3   o 38.30083 12.75347 46.95488       23.41197 46.95488       23.41197 0.000000       0.000000 38.30083 12.75347 ?        ?        ?              ?        
1 1 1 13 12 4   o 27.25338 11.63741 17.25381       22.96459 17.25381       22.96459 0.000000       0.000000 27.25338 11.63741 ?        ?        ?              ?        
1 1 1 13 12 5   f 44.91806 12.39489 61.95872       23.54047 61.95872       23.54047 0.000000       0.000000 44.91806 12.39489 ?        ?        ?              ?        
1 1 1 13 12 6   o 31.60155 12.37144 31.08880       23.25859 31.08880       23.25859 0.000000       0.000000 31.60155 12.37144 ?        ?        ?              ?        
1 1 1 13 12 7   o 21.43411 10.05966 -5.681841      22.37452 -5.681841      22.37452 0.000000       0.000000 21.43411 10.05966 ?        ?        ?              ?        
1 1 1 13 12 8   o 20.20535 9.667151 -13.01976      22.67168 -13.01976      22.67168 0.000000       0.000000 20.20535 9.667151 ?        ?        ?              ?        
1 1 1 13 12 9   o 21.85461 10.23643 -4.019560      22.97054 -4.019560      22.97054 0.000000       0.000000 21.85461 10.23643 ?        ?        ?              ?        
1 1 1 13 12 10  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 0  -34 o 21.39833 13.91550 13.09000       29.32217 13.09000       29.32217 13.09000       29.32217 21.39833 13.91550 21.39833 13.91550 0.000000       0.000000 
1 1 1 14 0  -33 o 17.90966 12.28086 -6.196000      28.89011 -6.196000      28.89011 -6.196000      28.89011 17.90966 12.28086 17.90966 12.28086 0.000000       0.000000 
1 1 1 14 0  -32 o 69.62498 12.38474 122.8000       31.97965 122.8000       31.97965 122.8000       31.97965 69.62498 12.38474 69.62498 12.38474 0.000000       0.000000 
1 1 1 14 0  -31 o 24.50653 14.81823 21.59000       27.31003 21.59000       27.31003 21.59000       27.31003 24.50653 14.81823 24.50653 14.81823 0.000000       0.000000 
1 1 1 14 0  -30 o 16.59239 11.45685 -11.63000      26.19038 -11.63000      26.19038 -11.63000      26.19038 16.59239 11.45685 16.59239 11.45685 0.000000       0.000000 
1 1 1 14 0  -29 o 14.26157 10.11483 -25.25000      24.80213 -25.25000      24.80213 -25.25000      24.80213 14.26157 10.11483 14.26157 10.11483 0.000000       0.000000 
1 1 1 14 0  -28 o 18.57322 12.40864 -1.772000      25.91220 -1.772000      25.91220 -1.772000      25.91220 18.57322 12.40864 18.57322 12.40864 0.000000       0.000000 
1 1 1 14 0  -27 o 15.97689 11.10902 -17.23000      25.74144 -17.23000      25.74144 -17.23000      25.74144 15.97689 11.10902 15.97689 11.10902 0.000000       0.000000 
1 1 1 14 0  -26 o 25.93547 15.14407 22.15000       26.73961 22.15000       26.73961 22.15000       26.73961 25.93547 15.14407 25.93547 15.14407 0.000000       0.000000 
1 1 1 14 0  -25 o 21.57734 13.78684 7.037000       27.17229 7.037000       27.17229 7.037000       27.17229 21.57734 13.78684 21.57734 13.78684 0.000000       0.000000 
1 1 1 14 0  -24 o 23.20517 14.57376 10.79000       28.89884 10.79000       28.89884 10.79000       28.89884 23.20517 14.57376 23.20517 14.57376 0.000000       0.000000 
1 1 1 14 0  -23 o 26.23702 15.72582 19.50000       30.21820 19.50000       30.21820 19.50000       30.21820 26.23702 15.72582 26.23702 15.72582 0.000000       0.000000 
1 1 1 14 0  -22 o 20.58302 13.77272 -6.714000      32.14175 -6.714000      32.14175 -6.714000      32.14175 20.58302 13.77272 20.58302 13.77272 0.000000       0.000000 
1 1 1 14 0  -21 o 25.05897 15.72420 11.36000       33.56214 11.36000       33.56214 11.36000       33.56214 25.05897 15.72420 25.05897 15.72420 0.000000       0.000000 
1 1 1 14 0  -20 o 94.55045 10.60443 195.9000       39.73129 195.9000       39.73129 195.9000       39.73129 94.55045 10.60443 94.55045 10.60443 0.000000       0.000000 
1 1 1 14 0  -19 o 96.67343 10.65976 203.8000       40.88977 203.8000       40.88977 203.8000       40.88977 96.67343 10.65976 96.67343 10.65976 0.000000       0.000000 
1 1 1 14 0  -18 o 35.62117 19.19737 41.23000       38.82357 41.23000       38.82357 41.23000       38.82357 35.62117 19.19737 35.62117 19.19737 0.000000       0.000000 
1 1 1 14 0  -17 o 86.30972 12.72612 166.7000       42.11148 166.7000       42.11148 166.7000       42.11148 86.30972 12.72612 86.30972 12.72612 0.000000       0.000000 
1 1 1 14 0  -16 o 129.3308 9.099294 352.7000       47.62948 352.7000       47.62948 352.7000       47.62948 129.3308 9.099294 129.3308 9.099294 0.000000       0.000000 
1 1 1 14 0  -15 o 146.3806 8.385736 448.0000       49.88262 448.0000       49.88262 448.0000       49.88262 146.3806 8.385736 146.3806 8.385736 0.000000       0.000000 
1 1 1 14 0  -14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 0  -13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 0  -12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 0  -11 o 132.5865 9.106160 368.1000       48.89338 368.1000       48.89338 368.1000       48.89338 132.5865 9.106160 132.5865 9.106160 0.000000       0.000000 
1 1 1 14 0  -10 o 16.99732 12.21127 -67.79000      40.96546 -67.79000      40.96546 -67.79000      40.96546 16.99732 12.21127 16.99732 12.21127 0.000000       0.000000 
1 1 1 14 0  -9  o 262.9117 7.278767 1425.000       78.22380 1425.000       78.22380 1425.000       78.22380 262.9117 7.278767 262.9117 7.278767 0.000000       0.000000 
1 1 1 14 0  -8  o 114.1963 10.49633 276.0000       48.07682 276.0000       48.07682 276.0000       48.07682 114.1963 10.49633 114.1963 10.49633 0.000000       0.000000 
1 1 1 14 0  -7  f 102.7204 11.28181 225.7000       45.99662 225.7000       45.99662 225.7000       45.99662 102.7204 11.28181 102.7204 11.28181 0.000000       0.000000 
1 1 1 14 0  -6  o 352.0828 7.866051 2553.000       113.2756 2553.000       113.2756 2553.000       113.2756 352.0828 7.866051 352.0828 7.866051 0.000000       0.000000 
1 1 1 14 0  -5  o 199.5018 7.430057 821.3000       60.50510 821.3000       60.50510 821.3000       60.50510 199.5018 7.430057 199.5018 7.430057 0.000000       0.000000 
1 1 1 14 0  -4  f 35.15395 19.67548 35.38000       42.48329 35.38000       42.48329 35.38000       42.48329 35.15395 19.67548 35.15395 19.67548 0.000000       0.000000 
1 1 1 14 0  -3  o 121.8830 9.546860 311.4000       46.95493 311.4000       46.95493 311.4000       46.95493 121.8830 9.546860 121.8830 9.546860 0.000000       0.000000 
1 1 1 14 0  -2  o 82.00199 13.74715 150.1000       42.26397 150.1000       42.26397 150.1000       42.26397 82.00199 13.74715 82.00199 13.74715 0.000000       0.000000 
1 1 1 14 0  -1  o 36.22916 19.70129 38.99000       41.24702 38.99000       41.24702 38.99000       41.24702 36.22916 19.70129 36.22916 19.70129 0.000000       0.000000 
1 1 1 14 0  0   o 129.4283 8.956054 349.5000       46.93379 349.5000       46.93379 349.5000       46.93379 129.4283 8.956054 129.4283 8.956054 0.000000       0.000000 
1 1 1 14 0  1   o 23.46517 15.64665 -12.36000      40.85547 -12.36000      40.85547 -12.36000      40.85547 23.46517 15.64665 23.46517 15.64665 0.000000       0.000000 
1 1 1 14 0  2   o 28.37219 17.99938 6.627000       45.34026 6.627000       45.34026 6.627000       45.34026 28.37219 17.99938 28.37219 17.99938 0.000000       0.000000 
1 1 1 14 0  3   o 53.66314 20.34972 81.16000       41.98169 81.16000       41.98169 81.16000       41.98169 53.66314 20.34972 53.66314 20.34972 0.000000       0.000000 
1 1 1 14 0  4   f 279.3544 7.062676 1606.000       80.67177 1606.000       80.67177 1606.000       80.67177 279.3544 7.062676 279.3544 7.062676 0.000000       0.000000 
1 1 1 14 0  5   o 123.2939 8.966653 317.8000       44.70680 317.8000       44.70680 317.8000       44.70680 123.2939 8.966653 123.2939 8.966653 0.000000       0.000000 
1 1 1 14 0  6   o 25.88056 16.52387 3.804000       38.94207 3.804000       38.94207 3.804000       38.94207 25.88056 16.52387 25.88056 16.52387 0.000000       0.000000 
1 1 1 14 0  7   f 56.87703 19.18348 86.93000       39.93340 86.93000       39.93340 86.93000       39.93340 56.87703 19.18348 56.87703 19.18348 0.000000       0.000000 
1 1 1 14 0  8   o 155.4415 7.645568 500.6000       48.39353 500.6000       48.39353 500.6000       48.39353 155.4415 7.645568 155.4415 7.645568 0.000000       0.000000 
1 1 1 14 0  9   o 256.3665 6.846585 1354.000       71.75613 1354.000       71.75613 1354.000       71.75613 256.3665 6.846585 256.3665 6.846585 0.000000       0.000000 
1 1 1 14 0  10  o 137.8873 7.899589 395.4000       44.26423 395.4000       44.26423 395.4000       44.26423 137.8873 7.899589 137.8873 7.899589 0.000000       0.000000 
1 1 1 14 0  11  o 73.57596 13.41196 123.0000       36.43483 123.0000       36.43483 123.0000       36.43483 73.57596 13.41196 73.57596 13.41196 0.000000       0.000000 
1 1 1 14 0  12  o 84.41859 11.01785 155.1000       36.29266 155.1000       36.29266 155.1000       36.29266 84.41859 11.01785 84.41859 11.01785 0.000000       0.000000 
1 1 1 14 0  13  o 217.6531 6.513338 977.9000       57.93101 977.9000       57.93101 977.9000       57.93101 217.6531 6.513338 217.6531 6.513338 0.000000       0.000000 
1 1 1 14 0  14  o 67.83826 13.28827 106.3000       32.86633 106.3000       32.86633 106.3000       32.86633 67.83826 13.28827 67.83826 13.28827 0.000000       0.000000 
1 1 1 14 0  15  o 66.51289 13.13180 102.5000       31.80274 102.5000       31.80274 102.5000       31.80274 66.51289 13.13180 66.51289 13.13180 0.000000       0.000000 
1 1 1 14 0  16  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 0  17  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 0  18  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 0  19  o 136.6879 6.740279 390.0000       37.51509 390.0000       37.51509 390.0000       37.51509 136.6879 6.740279 136.6879 6.740279 0.000000       0.000000 
1 1 1 14 0  20  o 107.9936 7.725447 246.8000       33.75269 246.8000       33.75269 246.8000       33.75269 107.9936 7.725447 107.9936 7.725447 0.000000       0.000000 
1 1 1 14 0  21  o 47.32528 15.00638 60.67000       25.57774 60.67000       25.57774 60.67000       25.57774 47.32528 15.00638 47.32528 15.00638 0.000000       0.000000 
1 1 1 14 0  22  o 12.38980 8.564750 -10.86401      14.73942 -10.86401      14.73942 -10.86401      14.73942 12.38980 8.564750 12.38980 8.564750 0.000000       0.000000 
1 1 1 14 0  23  o 26.09723 14.56252 21.90000       23.18691 21.90000       23.18691 21.90000       23.18691 26.09723 14.56252 26.09723 14.56252 0.000000       0.000000 
1 1 1 14 0  24  o 22.09360 13.41126 12.36000       22.55371 12.36000       22.55371 12.36000       22.55371 22.09360 13.41126 22.09360 13.41126 0.000000       0.000000 
1 1 1 14 0  25  o 91.09327 7.182939 178.2000       26.39825 178.2000       26.39825 178.2000       26.39825 91.09327 7.182939 91.09327 7.182939 0.000000       0.000000 
1 1 1 14 0  26  o 51.59349 12.58575 67.69000       23.03340 67.69000       23.03340 67.69000       23.03340 51.59349 12.58575 51.59349 12.58575 0.000000       0.000000 
1 1 1 14 0  27  o 72.91611 6.034612 114.0270       17.72375 114.0270       17.72375 114.0270       17.72375 72.91611 6.034612 72.91611 6.034612 0.000000       0.000000 
1 1 1 14 0  28  o 75.59866 5.883928 122.6775       17.95331 122.6775       17.95331 122.6775       17.95331 75.59866 5.883928 75.59866 5.883928 0.000000       0.000000 
1 1 1 14 0  29  o 40.94215 11.81733 45.56517       17.18220 45.56517       17.18220 45.56517       17.18220 40.94215 11.81733 40.94215 11.81733 0.000000       0.000000 
1 1 1 14 0  30  o 15.44865 10.19877 -0.1150433     16.65684 -0.1150433     16.65684 -0.1150433     16.65684 15.44865 10.19877 15.44865 10.19877 0.000000       0.000000 
1 1 1 14 0  31  o 21.49656 12.24375 15.98750       16.83251 15.98750       16.83251 15.98750       16.83251 21.49656 12.24375 21.49656 12.24375 0.000000       0.000000 
1 1 1 14 0  32  o 37.39470 12.63210 41.23716       17.29687 41.23716       17.29687 41.23716       17.29687 37.39470 12.63210 37.39470 12.63210 0.000000       0.000000 
1 1 1 14 0  33  o 15.53918 10.20215 1.485428       16.31677 1.485428       16.31677 1.485428       16.31677 15.53918 10.20215 15.53918 10.20215 0.000000       0.000000 
1 1 1 14 0  34  o 69.78413 7.042743 109.7284       19.61722 109.7284       19.61722 109.7284       19.61722 69.78413 7.042743 69.78413 7.042743 0.000000       0.000000 
1 1 1 14 1  -33 o 17.24907 8.456312 -25.85488      20.29614 -16.28000      28.77853 -35.33000      28.62821 21.96130 10.60507 19.67389 9.721454 2.287409       14.38660 
1 1 1 14 1  -32 o 28.83746 11.48916 21.87491       20.38136 12.66000       28.90240 30.99000       28.74543 27.45251 12.33296 31.96690 13.29690 -4.514385      18.13586 
1 1 1 14 1  -31 o 37.76773 11.79819 40.56351       20.24248 3.253000       28.46807 78.72000       28.78900 26.07969 11.92208 50.99805 13.55522 -24.91836      18.05215 
1 1 1 14 1  -30 f 21.92117 9.913924 -1.109546      19.03726 -9.436000      26.96249 7.168000       26.88319 23.46602 11.02267 26.72343 11.95836 -3.257416      16.26351 
1 1 1 14 1  -29 o 33.40700 11.48820 30.32171       19.00438 33.35000       26.89090 27.30000       26.86164 34.09989 13.31616 32.13774 13.05371 1.962147       18.64724 
1 1 1 14 1  -28 o 40.93748 11.09956 44.61781       19.06986 39.60000       27.29902 49.40000       26.65039 36.63314 13.62644 40.56222 13.60884 -3.929077      19.25825 
1 1 1 14 1  -27 o 28.08447 11.09574 16.62164       18.85916 36.43000       26.46702 -3.809000      26.87953 36.30297 13.43332 25.09281 11.51342 11.21015       17.69217 
1 1 1 14 1  -26 o 28.70734 11.23570 16.88190       19.18030 -10.40000      26.74533 45.77000       27.52138 24.19615 11.23683 40.69111 13.82915 -16.49496      17.81886 
1 1 1 14 1  -25 o 35.67458 11.70164 31.48624       19.73265 22.18000       28.80986 39.71000       27.08254 33.13419 13.49634 39.01743 13.69687 -5.883240      19.22903 
1 1 1 14 1  -24 o 36.34435 11.81695 32.21116       20.14478 7.835000       29.37617 53.85000       27.67767 29.80280 12.94634 45.30595 13.73255 -15.50315      18.87301 
1 1 1 14 1  -23 o 32.02922 11.91580 21.77300       20.87667 0.7342000      30.94363 39.35000       28.28350 29.08189 12.93361 39.88123 13.99749 -10.79933      19.05802 
1 1 1 14 1  -22 o 45.94736 11.94584 50.99702       22.68103 66.59000       34.62700 39.28000       30.01644 50.45538 15.37376 40.41943 14.39824 10.03595       21.06328 
1 1 1 14 1  -21 o 46.82800 12.14301 52.43634       23.47688 92.50000       36.31874 23.68000       30.76964 60.70096 14.75733 35.70581 14.15193 24.99516       20.44641 
1 1 1 14 1  -20 o 49.98921 12.00002 58.77202       24.25106 74.31000       37.97342 48.07000       31.51485 54.10376 16.01310 44.67810 14.79426 9.425659       21.80113 
1 1 1 14 1  -19 o 56.37550 11.26801 72.57065       25.10119 81.08000       39.16759 66.64000       32.69864 57.08554 16.07621 52.43567 14.66100 4.649872       21.75751 
1 1 1 14 1  -18 o 117.0227 6.167286 287.4617       29.44779 258.1000       44.74277 309.9000       39.11351 108.5873 10.18158 120.5373 7.969387 -11.95000      12.92964 
1 1 1 14 1  -17 o 26.42734 11.72446 -5.276857      25.27317 38.69000       39.40184 -36.01000      32.94256 43.62952 16.34234 24.81993 11.81319 18.80959       20.16491 
1 1 1 14 1  -16 o 101.6688 7.055021 217.4883       29.18826 233.3000       45.22495 206.2000       38.21236 103.4888 10.83265 97.84010 9.664197 5.648743       14.51699 
1 1 1 14 1  -15 o 129.7038 5.962965 350.2152       31.58463 362.1000       48.24370 341.3000       41.78423 130.4883 9.085856 127.1723 8.065643 3.316063       12.14938 
1 1 1 14 1  -14 o 130.6451 6.049206 354.9689       32.27269 393.2000       49.39838 326.5000       42.62749 136.3075 8.899172 124.3772 8.419607 11.93034       12.25092 
1 1 1 14 1  -13 o 77.30527 9.199812 127.4383       28.55081 99.38000       44.15385 147.6000       37.42839 65.52843 16.47530 82.45349 11.38969 -16.92506      20.02899 
1 1 1 14 1  -12 o 74.18564 9.614780 117.5870       28.52044 116.7000       44.61238 118.2000       37.08953 71.67883 15.64052 73.25285 12.83267 -1.574013      20.23125 
1 1 1 14 1  -11 o 135.3397 6.149869 379.6772       33.99220 367.3000       51.86051 389.0000       45.00877 131.9254 9.667400 136.3866 8.095793 -4.461197      12.60954 
1 1 1 14 1  -10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 1  -9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 1  -8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 1  -7  o 199.1696 5.255539 817.2703       42.82378 793.6000       63.78094 836.7000       57.78585 195.4627 7.985792 201.0309 7.030777 -5.568192      10.63977 
1 1 1 14 1  -6  o 90.03833 8.651189 169.8174       31.50332 219.0000       50.75787 139.0000       40.17866 101.2311 12.51117 80.30534 12.63574 20.92574       17.78177 
1 1 1 14 1  -5  o 194.6345 5.263288 780.0149       41.90854 818.6000       64.09499 751.2000       55.38888 198.6970 7.893569 190.5563 7.111109 8.140701       10.62433 
1 1 1 14 1  -4  o 103.4024 7.769374 222.3820       32.65526 274.3000       52.73867 190.1000       41.58628 113.9337 11.46004 94.80809 10.91095 19.12557       15.82345 
1 1 1 14 1  -3  o 142.5342 6.113474 419.2975       35.59759 461.8000       55.55976 389.7000       46.36403 148.8749 9.158444 136.9328 8.308022 11.94214       12.36529 
1 1 1 14 1  -2  o 26.23804 12.03793 -20.05318      29.37649 -24.38000      47.64796 -17.40000      37.31154 34.40457 15.60932 30.89344 13.93403 3.511129       20.92386 
1 1 1 14 1  -1  o 33.73873 13.65257 11.11474       29.25610 47.39000       48.48155 -9.660000      36.68927 50.44799 18.25811 32.10551 14.19075 18.34248       23.12436 
1 1 1 14 1  0   o 141.6399 6.088399 413.9182       35.22879 442.3000       54.85881 394.0000       45.95696 145.7097 9.242246 137.7538 8.184373 7.955887       12.34516 
1 1 1 14 1  1   o 31.63278 13.28694 3.985329       29.12411 25.40000       46.55630 -9.783000      37.33046 44.05817 17.42508 32.38460 14.31416 11.67358       22.55058 
1 1 1 14 1  2   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 1  3   o 89.66318 8.250772 167.8253       29.95293 222.9000       48.82984 134.6000       37.92657 102.5119 11.85083 79.29057 12.06111 23.22133       16.90895 
1 1 1 14 1  4   o 140.4332 5.920094 406.9125       33.96626 412.1000       53.01331 403.3000       44.23949 140.5491 9.263189 139.4169 7.780298 1.132126       12.09710 
1 1 1 14 1  5   o 222.9422 4.891542 1021.980       44.65422 1119.000       68.07312 948.7000       59.16164 232.6108 7.155469 214.2824 6.751053 18.32846       9.837553 
1 1 1 14 1  6   o 136.3127 5.747488 383.4814       32.00833 360.8000       47.88607 401.8000       43.03479 131.4617 8.949166 139.1310 7.582559 -7.669312      11.72957 
1 1 1 14 1  7   o 130.2143 5.844577 350.2404       31.08335 306.1000       45.97672 387.4000       42.18467 120.8606 9.363254 136.5615 7.573667 -15.70090      12.04288 
1 1 1 14 1  8   o 134.6624 5.579535 374.3993       30.69919 383.6000       45.81168 366.9000       41.35934 135.6331 8.288286 132.8201 7.636953 2.812958       11.27026 
1 1 1 14 1  9   o 35.16807 12.83711 21.97320       24.03654 20.24000       36.50305 23.30000       31.93808 38.97138 15.42432 38.32921 14.63231 0.6421700      21.26062 
1 1 1 14 1  10  o 145.9595 5.217683 439.7280       31.13402 430.7000       45.46477 447.7000       42.72330 143.7517 7.752599 146.7674 7.130375 -3.015671      10.53304 
1 1 1 14 1  11  o 91.95718 6.878524 176.3226       25.71267 154.9000       37.95146 194.5000       34.95900 84.87610 11.19241 96.01073 8.997128 -11.13464      14.36030 
1 1 1 14 1  12  o 30.01975 12.09172 9.926264       22.83192 -9.928000      34.45515 25.47000       30.48632 30.53719 13.61011 38.30508 14.36940 -7.767887      19.79178 
1 1 1 14 1  13  o 28.75955 11.74775 7.774765       21.90348 0.3979000      33.70072 13.17000       28.82096 32.33461 13.95639 33.62612 13.57083 -1.291508      19.46660 
1 1 1 14 1  14  o 68.27141 8.232233 99.14428       22.54943 89.81000       34.36803 106.2000       29.88027 62.98547 13.71527 69.80177 10.80291 -6.816307      17.45885 
1 1 1 14 1  15  o 99.48516 5.888247 206.2345       23.87932 237.4000       36.95815 183.9000       31.28687 105.7497 8.609484 93.11878 8.292057 12.63097       11.95330 
1 1 1 14 1  16  o 55.44764 9.550756 67.22705       20.90184 69.19000       32.76469 65.88000       27.14216 54.54903 14.44334 53.81633 12.54894 0.7326927      19.13337 
1 1 1 14 1  17  o 43.89512 11.20295 43.58165       20.20070 54.12000       31.93182 36.55000       26.08352 48.22463 14.77680 40.70927 13.45838 7.515354       19.98704 
1 1 1 14 1  18  o 38.02235 11.44130 32.50790       19.26204 21.22000       30.67040 39.86000       24.75247 35.89756 14.16009 41.79369 13.04505 -5.896126      19.25308 
1 1 1 14 1  19  o 47.91296 10.06092 51.77722       19.10913 49.51000       29.63938 53.39000       24.99828 45.69434 14.27669 47.70442 12.60889 -2.010082      19.04752 
1 1 1 14 1  20  o 33.39231 11.91756 23.35000       20.57385 23.35000       20.57385 0.000000       0.000000 33.39231 11.91756 ?        ?        ?              ?        
1 1 1 14 1  21  o 29.89651 11.49997 16.09000       19.82852 16.09000       19.82852 0.000000       0.000000 29.89651 11.49997 ?        ?        ?              ?        
1 1 1 14 1  22  o 52.73644 10.45481 64.64000       21.77830 64.64000       21.77830 0.000000       0.000000 52.73644 10.45481 ?        ?        ?              ?        
1 1 1 14 1  23  o 24.09165 9.210514 10.16343       12.66670 7.327151       15.65517 15.54000       21.55441 24.26056 9.923455 29.78352 11.83178 -5.522964      15.44234 
1 1 1 14 1  24  o 26.74976 9.479197 15.17560       12.99483 16.41800       16.30163 13.01000       21.52236 28.29169 10.52870 28.59880 11.65907 -0.3071156     15.70947 
1 1 1 14 1  25  o 19.37248 8.496557 -0.5854355     12.91754 -0.5927165     16.06135 -0.5721000     21.73667 21.37521 9.421023 24.37796 10.84093 -3.002747      14.36250 
1 1 1 14 1  26  o 57.24739 5.254253 70.51915       12.17936 61.11755       17.52857 79.29498       16.93518 51.22000 8.666394 59.60897 7.076217 -8.388966      11.18835 
1 1 1 14 1  27  o 52.37431 5.817979 60.21566       12.26685 68.01133       17.88133 53.28541       16.85961 53.88745 8.375695 47.08426 9.073765 6.803196       12.34850 
1 1 1 14 1  28  o 33.25203 8.715707 27.10532       12.00903 22.79395       17.13621 31.26622       16.83449 30.11690 10.86092 34.48533 10.75723 -4.368431      15.28652 
1 1 1 14 1  29  o 20.42285 8.499161 5.374933       11.75227 -4.415812      16.77746 14.80706       16.46733 19.95882 9.134709 26.24245 10.36818 -6.283634      13.81818 
1 1 1 14 1  30  f 34.22435 9.288620 29.55875       13.34697 32.24946       17.06528 25.32000       21.41897 34.70435 10.83151 31.11446 11.95646 3.589891       16.13315 
1 1 1 14 1  31  o 26.09091 9.164419 16.38156       12.12549 11.17247       17.33163 21.37562       16.97015 24.84739 10.32931 29.00099 10.75192 -4.153601      14.90967 
1 1 1 14 1  32  o 34.38825 8.648368 29.95196       12.16421 26.42984       17.17744 33.49495       17.22826 30.85677 10.90184 34.46276 10.90094 -3.605986      15.41690 
1 1 1 14 1  33  o 45.19425 7.155331 48.77683       12.80104 40.37051       17.91886 57.53857       18.29376 37.21999 10.99582 46.21801 9.960402 -8.998020      14.83637 
1 1 1 14 2  -32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 2  -31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 2  -30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 2  -29 o 47.13594 10.88770 58.79960       20.59084 36.02000       28.89569 82.30000       29.34929 34.80420 13.73949 52.68239 13.53415 -17.87819      19.28592 
1 1 1 14 2  -28 o 36.82505 11.70610 37.70878       19.84587 52.86000       28.09066 22.61000       28.04200 41.08529 13.97133 30.86143 13.00470 10.22387       19.08718 
1 1 1 14 2  -27 o 32.16368 11.41307 27.30666       18.84341 48.09000       26.52738 6.139000       26.77153 39.92470 13.57699 26.65554 11.93034 13.26916       18.07395 
1 1 1 14 2  -26 o 21.96873 9.870092 -1.327161      18.51522 -20.80000      25.84913 19.19000       26.53322 21.59568 10.32965 30.43362 12.72585 -8.837938      16.39051 
1 1 1 14 2  -25 o 19.76318 9.279886 -12.99453      19.07968 -14.68000      26.82950 -11.27000      27.13864 23.32493 10.96864 24.05542 11.22103 -0.7304878     15.69148 
1 1 1 14 2  -24 o 33.97289 11.65020 28.24960       19.54025 -0.6778000     27.60481 57.30000       27.66344 26.73238 12.02753 45.96151 13.68358 -19.22914      18.21818 
1 1 1 14 2  -23 o 25.28649 10.84063 4.922870       20.07260 1.761000       29.75329 7.564000       27.19305 28.40360 12.65406 28.86539 12.49791 -0.4617901     17.78547 
1 1 1 14 2  -22 o 89.76481 6.750368 174.6031       24.63001 156.8000       36.76448 189.1000       33.17553 81.13628 11.37825 91.56983 8.962560 -10.43355      14.48420 
1 1 1 14 2  -21 o 58.77434 10.31055 80.15921       23.90941 96.73000       38.53850 69.79000       30.48569 60.43612 15.49985 52.25792 13.97569 8.178204       20.87020 
1 1 1 14 2  -20 o 68.65642 9.051164 105.2484       24.82624 109.0000       40.55564 103.0000       31.39622 65.04965 15.45563 65.88881 12.08211 -0.8391571     19.61769 
1 1 1 14 2  -19 o 27.22726 11.72989 3.140835       23.71892 11.33000       40.64848 -1.087000      29.20677 35.40310 15.30439 28.62936 12.65746 6.773743       19.86040 
1 1 1 14 2  -18 o 47.03721 12.70455 52.58384       25.04087 54.16000       42.73979 51.76000       30.89979 47.25183 17.13706 46.20473 14.59688 1.047096       22.51105 
1 1 1 14 2  -17 o 41.53536 13.35498 39.69450       25.77420 82.93000       45.48818 19.25000       31.27998 57.01427 17.66646 35.24450 14.16813 21.76977       22.64597 
1 1 1 14 2  -16 o 39.84978 13.36070 35.20639       25.68781 35.07000       43.38683 35.28000       31.87505 42.96026 16.87345 40.81791 14.80004 2.142353       22.44448 
1 1 1 14 2  -15 o 27.21628 11.91661 -2.121274      25.31405 17.80000       43.00940 -12.68000      31.31198 38.96796 16.24135 27.87673 12.65003 11.09123       20.58652 
1 1 1 14 2  -14 o 137.8778 5.898187 396.3868       33.22253 414.6000       54.00868 385.3000       42.13795 139.0136 9.546105 135.1031 7.648232 3.910522       12.23207 
1 1 1 14 2  -13 o 110.4841 6.786891 255.7933       30.55584 261.0000       50.05246 252.7000       38.57893 109.4211 11.33518 109.0073 8.715664 0.4138412      14.29857 
1 1 1 14 2  -12 o 67.19212 10.20332 98.12800       27.19135 71.28000       44.52198 114.1000       34.33983 55.38204 17.52465 71.77261 12.11549 -16.39058      21.30489 
1 1 1 14 2  -11 o 62.17975 11.61271 85.33783       28.47993 52.50000       46.31824 105.3000       36.11343 49.92137 17.87419 68.54054 13.34776 -18.61917      22.30806 
1 1 1 14 2  -10 o 83.49516 8.683382 147.7833       29.25442 147.6000       46.90561 147.9000       37.42533 81.02379 14.67830 82.55057 11.37385 -1.526779      18.56924 
1 1 1 14 2  -9  o 73.03537 9.828238 114.3057       28.64695 146.5000       46.94133 95.20000       36.16161 80.87823 14.71619 65.13764 13.97647 15.74059       20.29552 
1 1 1 14 2  -8  o 117.7348 6.785854 288.4987       32.57541 229.2000       50.55466 330.6000       42.59772 102.9707 12.22864 125.5549 8.332835 -22.58421      14.79783 
1 1 1 14 2  -7  o 123.3681 6.515022 316.0367       32.79448 377.1000       52.76418 277.6000       41.86222 133.6929 9.704502 114.8679 8.971296 18.82501       13.21596 
1 1 1 14 2  -6  o 54.72001 16.12074 66.88000       38.55921 0.000000       0.000000 66.88000       38.55921 ?        ?        54.72001 16.12074 ?              ?        
1 1 1 14 2  -5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 2  -4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 2  -3  o 150.7944 5.864721 469.9305       36.14333 447.0000       56.00247 486.3000       47.31701 145.9896 9.418560 152.9286 7.579831 -6.939056      12.08979 
1 1 1 14 2  -2  o 37.35160 13.88695 23.85874       28.34631 37.53000       47.87752 16.48000       35.17372 47.10136 17.93115 37.47177 15.03772 9.629597       23.40212 
1 1 1 14 2  -1  o 145.5180 5.840761 437.5061       34.73180 418.0000       54.92864 450.5000       44.83158 141.1588 9.559519 147.2490 7.459755 -6.090225      12.12569 
1 1 1 14 2  0   o 60.26044 12.12932 79.27744       28.89200 90.73000       47.81211 72.69000       36.26139 63.39549 17.72940 57.12712 15.22614 6.268368       23.37021 
1 1 1 14 2  1   o 26.43676 11.99226 -14.86095      28.10925 -57.10000      47.84658 7.401000       34.73565 29.80799 14.20123 34.89016 14.57288 -5.082172      20.34807 
1 1 1 14 2  2   o 48.17077 13.75706 50.84908       28.48012 37.23000       46.96527 58.77000       35.81713 46.79328 17.77232 51.77563 15.60646 -4.982353      23.65200 
1 1 1 14 2  3   o 240.4718 5.029034 1190.825       49.51914 1206.000       74.82616 1179.000       66.05281 240.9927 7.592195 238.6221 6.766981 2.370544       10.17022 
1 1 1 14 2  4   o 43.21294 13.78575 39.53886       27.50372 85.33000       46.05787 14.16000       34.28855 61.44176 17.47756 36.43789 14.76736 25.00387       22.88100 
1 1 1 14 2  5   o 156.8222 5.433262 507.7799       34.83664 510.6000       55.08263 505.9000       44.97333 156.2605 8.642428 156.0828 7.055043 0.1776886      11.15640 
1 1 1 14 2  6   o 148.6523 5.439325 456.4601       33.05280 451.2000       52.56452 459.9000       42.50817 146.7520 8.787761 148.7828 6.997027 -2.030838      11.23313 
1 1 1 14 2  7   o 118.9116 6.019011 293.0671       29.21184 305.2000       47.32725 285.6000       37.12825 120.2091 9.697240 116.8998 7.801152 3.309273       12.44566 
1 1 1 14 2  8   o 272.9433 4.892258 1535.841       54.67719 1495.000       79.78869 1572.000       75.07671 268.0778 7.275414 275.3288 6.659309 -7.250946      9.862964 
1 1 1 14 2  9   o 111.9582 6.044030 260.2787       27.60539 250.2000       45.14018 266.3000       34.89021 108.3309 10.30000 112.7957 7.598506 -4.464790      12.79951 
1 1 1 14 2  10  o 95.21833 6.615395 189.2146       25.63255 180.1000       42.30897 194.5000       32.21849 91.12518 11.60155 96.04010 8.273285 -4.914925      14.24932 
1 1 1 14 2  11  o 92.17155 6.737363 177.6987       25.25231 152.7000       41.49723 192.4000       31.82272 83.23750 12.56622 95.44650 8.222485 -12.20901      15.01730 
1 1 1 14 2  12  o 161.0410 4.853170 536.4080       31.96616 505.9000       49.52139 558.2000       41.85375 155.1366 7.820911 163.7376 6.254041 -8.601044      10.01397 
1 1 1 14 2  13  o 44.25879 8.604998 42.68132       15.03285 47.88633       18.42582 32.32000       25.99702 46.55957 9.965683 39.25682 13.43860 7.302753       16.73053 
1 1 1 14 2  14  o 55.48662 9.910099 67.70190       21.68968 81.24000       37.84489 61.08000       26.46790 58.61858 15.52361 51.72528 12.61207 6.893291       20.00117 
1 1 1 14 2  15  o 52.30286 7.110503 58.47295       14.83427 69.74963       18.31552 36.97000       25.29169 56.87651 8.092391 40.77135 13.23961 16.10516       15.51690 
1 1 1 14 2  16  o 49.57391 7.302675 52.90539       14.38020 65.93529       17.69581 27.57000       24.67538 55.17580 8.071169 36.53391 13.05012 18.64189       15.34436 
1 1 1 14 2  17  o 51.73877 6.864464 57.40063       14.18429 53.75628       17.53915 64.29000       24.11506 49.26470 9.027138 52.92152 11.46077 -3.656822      14.58898 
1 1 1 14 2  18  o 48.96222 9.013391 53.43525       17.40498 53.43525       17.40498 0.000000       0.000000 48.96222 9.013391 ?        ?        ?              ?        
1 1 1 14 2  19  o 47.84719 7.264134 49.89383       13.78529 52.91293       17.35339 44.73000       22.69507 48.54349 9.063540 43.33414 12.24904 5.209347       15.23767 
1 1 1 14 2  20  o 40.78298 8.476006 37.47687       13.69194 42.85843       17.47489 28.92000       22.03523 42.98322 10.10078 35.69229 12.36608 7.290932       15.96702 
1 1 1 14 2  21  o 55.51082 6.319122 66.46511       14.10804 65.58401       17.89997 67.91000       22.92237 54.16220 8.338165 53.69422 10.80036 0.4679832      13.64452 
1 1 1 14 2  22  o 24.16069 9.407268 9.776772       13.38918 2.355117       17.11310 21.49000       21.49892 23.14860 9.968021 31.89939 12.04513 -8.750790      15.63479 
1 1 1 14 2  23  o 36.13102 9.320158 30.78747       13.87939 33.09639       17.70837 27.11000       22.34850 36.84738 10.94258 34.03630 12.38509 2.811077       16.52666 
1 1 1 14 2  24  o 28.82106 10.75469 17.86264       17.03135 40.67000       25.68871 -0.2510000E-01 22.75006 39.25441 13.36047 24.87959 11.07575 14.37481       17.35437 
1 1 1 14 2  25  o 51.93921 12.62129 71.84000       26.57533 71.84000       26.57533 0.000000       0.000000 51.93921 12.62129 ?        ?        ?              ?        
1 1 1 14 2  26  o 46.07009 13.54763 61.25000       27.25327 61.25000       27.25327 0.000000       0.000000 46.07009 13.54763 ?        ?        ?              ?        
1 1 1 14 2  27  o 59.81944 5.990631 79.38499       14.47646 83.45512       18.37764 72.73000       23.49954 59.94564 7.661910 52.46412 11.27481 7.481529       13.63181 
1 1 1 14 2  28  o 17.69300 8.115710 -5.095295      13.34215 2.063159       17.14085 -16.10000      21.25259 21.93187 9.696507 19.85654 9.461408 2.075333       13.54771 
1 1 1 14 2  29  o 24.89692 9.151994 14.04135       12.25034 11.27935       17.31448 16.80981       17.33474 25.03627 10.35852 27.21653 10.67281 -2.180262      14.87306 
1 1 1 14 2  30  o 37.67160 8.333899 34.73092       12.51441 24.80030       17.70285 44.65078       17.69325 30.54150 11.03571 40.92780 10.50526 -10.38630      15.23638 
1 1 1 14 2  31  o 26.16066 9.680940 16.96921       13.74630 3.852000       22.39474 24.89925       17.41256 23.82909 10.76703 30.05350 10.93271 -6.224411      15.34448 
1 1 1 14 2  32  o 24.63367 9.280323 14.85058       12.74555 15.11759       18.21497 14.59442       17.84072 25.58422 10.60841 25.33088 10.50071 0.2533417      14.92660 
1 1 1 14 3  -31 o 33.05560 12.04530 34.49142       21.14964 37.78000       30.28304 31.36000       29.55061 32.69989 13.62853 31.03817 13.22573 1.661724       18.99096 
1 1 1 14 3  -30 o 18.28261 8.832121 -18.77645      20.00888 -44.76000      28.96868 4.929000       27.66965 19.06398 9.481879 25.36704 11.65478 -6.303059      15.02464 
1 1 1 14 3  -29 o 22.25424 10.10792 -0.3690683     20.04823 19.85000       29.02378 -18.82000      27.72571 29.57880 12.85856 21.92791 10.54344 7.650885       16.62849 
1 1 1 14 3  -28 o 25.93429 11.10507 10.79841       21.01744 -6.361000      30.86181 25.64000       28.70188 25.21648 11.82838 31.60587 13.22725 -6.389387      17.74460 
1 1 1 14 3  -27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 3  -26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 3  -25 o 30.70382 11.27857 23.69628       18.59947 17.06000       26.78055 29.88000       25.85129 29.58917 12.59885 33.42415 13.05508 -3.834982      18.14294 
1 1 1 14 3  -24 o 43.14580 11.15265 48.16324       19.84602 46.92000       27.10495 49.60000       29.13824 40.43637 13.72437 41.09974 14.22116 -0.6633682     19.76359 
1 1 1 14 3  -23 o 26.53546 10.89598 11.26557       18.96631 13.93000       26.08707 8.278000       27.62368 29.61202 12.51408 28.57344 12.48100 1.038584       17.67421 
1 1 1 14 3  -22 o 46.98437 11.02546 54.44683       20.84453 70.15000       30.65968 40.95000       28.42430 50.70868 14.20322 39.40036 14.01371 11.30832       19.95283 
1 1 1 14 3  -21 o 22.55346 10.19269 -5.039860      20.08103 0.6011000      30.19558 -9.513000      26.88890 28.37320 12.68680 24.94238 11.47047 3.430824       17.10341 
1 1 1 14 3  -20 o 35.48432 12.31078 29.76120       21.84194 36.05000       34.44032 25.53000       28.24979 38.98486 15.11311 34.78752 13.62977 4.197342       20.35133 
1 1 1 14 3  -19 o 28.52304 11.88863 9.813441       23.04699 -10.05000      38.92008 20.54000       28.60070 30.13014 13.83559 33.64410 13.53974 -3.513952      19.35841 
1 1 1 14 3  -18 o 51.48584 11.95383 63.48511       24.71590 21.38000       41.48757 86.65000       30.77271 37.36668 15.78581 59.67983 12.96424 -22.31315      20.42703 
1 1 1 14 3  -17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 3  -16 o 61.01249 10.55328 84.50613       25.41138 90.66000       44.06543 81.44000       31.10424 58.92077 17.19938 58.26596 13.32719 0.6548119      21.75851 
1 1 1 14 3  -15 o 30.42855 12.31138 12.50247       23.78659 14.17000       41.90902 11.71000       28.89106 37.02967 15.76361 32.14983 13.34817 4.879848       20.65587 
1 1 1 14 3  -14 o 65.40854 9.701872 94.40437       25.19811 99.22000       43.54494 91.98000       30.89661 63.14179 16.61889 63.19315 12.38335 -0.5136490E-01 20.72522 
1 1 1 14 3  -13 o 25.33371 11.27668 -5.626948      23.57634 -53.21000      42.15569 16.03000       28.43994 26.81511 12.92058 33.63490 13.51361 -6.819782      18.69650 
1 1 1 14 3  -12 o 112.1443 6.246319 263.5168       28.56974 265.0000       47.94345 262.7000       35.57632 110.0330 10.77913 111.2334 7.861554 -1.200409      13.34143 
1 1 1 14 3  -11 o 68.80360 9.510793 102.7746       26.07907 74.94000       44.84293 117.0000       32.05787 55.90506 17.57421 72.77971 11.10865 -16.87465      20.79074 
1 1 1 14 3  -10 o 62.05160 10.63615 84.76484       26.05273 82.86000       46.25335 85.65000       31.53019 58.79467 17.73779 61.44563 12.94121 -2.650967      21.95687 
1 1 1 14 3  -9  o 97.40335 7.171336 199.4022       28.40159 241.7000       48.05795 176.7000       35.20794 105.3706 11.31544 90.71752 9.624870 14.65306       14.85521 
1 1 1 14 3  -8  o 67.29453 10.04902 98.22279       26.84320 87.31000       46.72143 103.6000       32.79646 60.72006 17.70604 68.31410 12.17075 -7.594044      21.48560 
1 1 1 14 3  -7  o 36.72898 14.30275 20.99000       30.95358 0.000000       0.000000 20.99000       30.95358 ?        ?        36.72898 14.30275 ?              ?        
1 1 1 14 3  -6  o 72.14582 11.53264 113.9000       32.92263 0.000000       0.000000 113.9000       32.92263 ?        ?        72.14582 11.53264 ?              ?        
1 1 1 14 3  -5  o 45.37897 14.84530 44.56000       31.76846 0.000000       0.000000 44.56000       31.76846 ?        ?        45.37897 14.84530 ?              ?        
1 1 1 14 3  -4  o 74.66902 11.23175 121.1000       33.27829 0.000000       0.000000 121.1000       33.27829 ?        ?        74.66902 11.23175 ?              ?        
1 1 1 14 3  -3  o 109.8071 8.237184 253.5000       36.76686 0.000000       0.000000 253.5000       36.76686 ?        ?        109.8071 8.237184 ?              ?        
1 1 1 14 3  -2  o 76.42655 11.17751 126.5000       33.94527 0.000000       0.000000 126.5000       33.94527 ?        ?        76.42655 11.17751 ?              ?        
1 1 1 14 3  -1  o 22.43607 10.69314 -33.38686      27.18053 -22.13000      48.31200 -38.60000      32.87729 34.39740 15.64983 24.82788 11.81259 9.569513       19.60751 
1 1 1 14 3  0   o 91.61050 13.87215 185.2000       50.41035 185.2000       50.41035 0.000000       0.000000 91.61050 13.87215 ?        ?        ?              ?        
1 1 1 14 3  1   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 3  2   o 42.41051 13.79788 38.30143       27.46251 98.13000       48.47907 10.03000       33.32528 64.97972 17.73042 34.65964 14.35825 30.32008       22.81507 
1 1 1 14 3  3   o 114.5392 7.936274 275.2000       36.99144 0.000000       0.000000 275.2000       36.99144 ?        ?        114.5392 7.936274 ?              ?        
1 1 1 14 3  4   o 134.7429 7.204379 379.0000       39.60455 0.000000       0.000000 379.0000       39.60455 ?        ?        134.7429 7.204379 ?              ?        
1 1 1 14 3  5   o 46.08391 14.41260 46.77000       30.19866 0.000000       0.000000 46.77000       30.19866 ?        ?        46.08391 14.41260 ?              ?        
1 1 1 14 3  6   o 31.69812 10.84663 19.98833       16.93539 28.49000       20.93384 3.885000       28.81077 36.83410 12.05083 30.92551 13.11386 5.908581       17.81000 
1 1 1 14 3  7   o 70.01657 5.991874 102.4181       17.01363 92.51888       20.41863 124.9000       30.77106 66.08580 7.689025 76.07985 10.12896 -9.994049      12.71680 
1 1 1 14 3  8   o 22.44264 9.488477 1.573028       15.00842 3.563650       17.99384 -2.978000      27.20722 25.06541 10.48038 28.27359 12.36748 -3.208181      16.21089 
1 1 1 14 3  9   o 30.72534 10.21770 19.37768       15.02856 17.22716       18.11844 24.12000       26.90575 30.64176 11.15131 36.34963 13.52659 -5.707869      17.53055 
1 1 1 14 3  10  o 101.7075 4.377660 213.9828       18.18868 214.6689       22.53413 212.7000       30.81098 101.5895 5.436916 100.3955 7.550233 1.193916       9.304090 
1 1 1 14 3  11  o 106.7007 4.216383 235.4496       18.38551 229.8770       22.88237 245.6000       30.88274 105.1130 5.333868 108.0371 7.019011 -2.924126      8.815705 
1 1 1 14 3  12  o 75.32795 5.257408 118.4048       16.11452 140.5836       20.44534 82.03000       26.18332 81.84044 6.145908 60.64939 10.94591 21.19104       12.55329 
1 1 1 14 3  13  o 29.95498 9.811074 18.92333       13.87375 33.39382       17.62997 -4.614000      22.48479 38.51673 10.76380 24.97606 11.07085 13.54067       15.44095 
1 1 1 14 3  14  o 42.02369 8.542439 39.03245       14.19788 39.08010       18.27932 38.96000       22.54175 41.44836 10.69804 41.20481 12.37215 0.2435455      16.35598 
1 1 1 14 3  15  o 27.07794 9.662102 14.29079       13.52268 18.25661       17.55699 8.507000       21.20264 30.42660 10.99069 27.97704 11.50767 2.449556       15.91294 
1 1 1 14 3  16  o 124.4927 3.800130 321.1406       19.34897 317.6747       24.92193 326.4000       30.69994 123.3097 4.945860 124.3829 6.045821 -1.073151      7.811113 
1 1 1 14 3  17  o 53.63164 6.762818 62.02628       14.52206 62.70134       18.96745 61.07000       22.57501 52.91095 9.081600 51.19551 11.09021 1.715439       14.33416 
1 1 1 14 3  18  o 62.41615 5.980217 83.11279       15.09731 72.07277       19.51965 99.55000       23.81777 56.85358 8.657701 66.81583 8.928878 -9.962254      12.43707 
1 1 1 14 3  19  o 53.24503 8.150343 63.14333       17.20514 55.90000       23.95570 70.86000       24.72607 47.81820 12.19749 54.49432 11.44575 -6.676125      16.72674 
1 1 1 14 3  20  o 37.87074 9.242741 33.38795       14.20477 32.66860       18.46800 34.43000       22.22755 36.85187 11.22723 37.59460 12.42363 -0.7427330     16.74507 
1 1 1 14 3  21  o 22.39374 9.208255 5.884587       13.57046 2.023654       17.60977 11.53000       21.29390 23.19496 10.05005 27.96448 11.52055 -4.769520      15.28812 
1 1 1 14 3  22  o 50.71172 6.960300 57.02243       14.07218 54.13083       18.42545 61.07000       21.79947 47.71753 9.759532 49.88353 10.97138 -2.165993      14.68400 
1 1 1 14 3  23  o 23.70557 9.197979 10.21254       12.76545 3.427432       16.85904 19.33000       19.54300 22.91603 9.881029 29.80375 11.42899 -6.887720      15.10816 
1 1 1 14 3  24  o 71.91804 5.008033 111.1063       14.65573 101.5371       19.04539 125.0000       22.94879 67.24980 7.019550 74.05183 7.679688 -6.802032      10.40441 
1 1 1 14 3  25  o 65.27966 5.590335 93.25974       14.79937 72.15255       18.63578 129.3000       24.35153 55.10225 8.535290 74.42406 8.122457 -19.32181      11.78242 
1 1 1 14 3  26  o 36.20245 9.339559 32.96761       13.93625 33.50321       17.84401 32.13000       22.31493 35.26765 11.08591 33.93961 12.37189 1.328041       16.61207 
1 1 1 14 3  27  o 31.23453 9.925101 24.99873       14.26760 25.57170       18.21860 24.09000       22.94369 31.21692 11.20612 30.78856 12.21484 0.4283581      16.57647 
1 1 1 14 3  28  o 86.63326 5.996980 166.6707       21.14234 163.8000       33.34787 168.6000       27.33906 80.00386 10.42755 84.66962 7.979642 -4.665764      13.13044 
1 1 1 14 3  29  o 31.79598 13.31766 28.35000       29.13152 28.35000       29.13152 0.000000       0.000000 31.79598 13.31766 ?        ?        ?              ?        
1 1 1 14 3  30  o 33.06167 13.59252 36.23000       29.56254 36.23000       29.56254 0.000000       0.000000 33.06167 13.59252 ?        ?        ?              ?        
1 1 1 14 3  31  o 25.56152 9.862438 16.40855       14.61518 13.22984       18.63394 21.49000       23.55988 24.95642 10.56294 28.20925 11.90541 -3.252823      15.91585 
1 1 1 14 4  -30 o 26.00332 11.17380 15.25335       21.41785 14.53000       30.25502 15.98000       30.32394 27.13192 12.35989 27.42648 12.44695 -0.2945576     17.54119 
1 1 1 14 4  -29 o 29.26324 10.55299 23.77054       16.17824 21.63724       19.26175 28.88000       29.80966 28.25259 11.19729 30.72464 13.19213 -2.472052      17.30351 
1 1 1 14 4  -28 o 37.90515 10.06768 38.48765       15.88819 55.72576       19.18542 0.8598000      28.34531 45.45586 10.51655 25.07487 11.61833 20.38100       15.67110 
1 1 1 14 4  -27 o 55.25726 7.425695 71.25557       16.37671 82.91388       19.68647 45.06000       29.50964 58.66420 8.437826 37.34884 14.10987 21.31536       16.44036 
1 1 1 14 4  -26 f 24.45248 10.58777 7.298693       19.51798 13.92000       27.38315 0.4608000      27.82741 28.42727 12.42166 25.57324 11.72673 2.854036       17.08255 
1 1 1 14 4  -25 o 24.72231 10.62457 8.245668       19.36827 -6.126000      27.35641 22.69000       27.42548 24.21609 11.28598 30.81044 12.91448 -6.594345      17.15101 
1 1 1 14 4  -24 o 22.99116 10.18913 2.524813       19.03716 -18.75000      27.01211 23.52000       26.83401 22.10457 10.56938 31.15594 12.89342 -9.051361      16.67189 
1 1 1 14 4  -23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 4  -22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 4  -21 o 23.57681 10.47277 -0.2171621E-01 20.22740 1.796000       28.06717 -1.986000      29.17680 27.25035 12.20467 26.85111 12.19507 0.3992329      17.25322 
1 1 1 14 4  -20 o 24.59531 10.68388 3.255370       20.00472 4.555000       29.89092 2.201000       26.92315 28.81598 12.76918 27.22301 12.08799 1.592970       17.58327 
1 1 1 14 4  -19 o 27.18505 11.22799 10.40127       20.29499 -2.770000      31.19264 20.07000       26.72533 28.01462 12.67797 32.32531 13.06018 -4.310690      18.20162 
1 1 1 14 4  -18 o 62.37014 11.86909 94.57000       29.20518 0.000000       0.000000 94.57000       29.20518 ?        ?        62.37014 11.86909 ?              ?        
1 1 1 14 4  -17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 4  -16 o 99.76855 8.100488 218.1000       32.80803 0.000000       0.000000 218.1000       32.80803 ?        ?        99.76855 8.100488 ?              ?        
1 1 1 14 4  -15 o 28.68218 11.85270 9.948002       22.63262 22.39000       42.78612 5.114000       26.66928 38.08408 16.05686 28.94239 12.45309 9.141689       20.32000 
1 1 1 14 4  -14 o 63.76960 9.738945 91.35123       24.62503 76.22000       46.63877 97.20000       28.99629 53.34673 18.00348 64.85484 11.33101 -11.50811      21.27245 
1 1 1 14 4  -13 o 108.8941 6.351540 251.0756       28.19801 191.5000       50.73790 277.7000       33.91859 89.27093 14.36779 113.9391 7.308647 -24.66816      16.11986 
1 1 1 14 4  -12 o 28.61612 11.92329 7.780319       23.16984 79.16000       46.58562 -15.68000      26.70740 55.33111 17.96859 24.61534 11.36024 30.71577       21.25854 
1 1 1 14 4  -11 o 29.04055 11.96790 8.991191       22.99002 54.36000       46.77345 -5.461000      26.39900 48.33672 17.86301 26.72787 11.91271 21.60885       21.47091 
1 1 1 14 4  -10 o 41.23190 12.79741 38.78907       23.85825 -18.28000      47.38491 58.17000       27.61385 33.34887 15.29605 49.78622 13.29507 -16.43736      20.26643 
1 1 1 14 4  -9  o 92.00461 7.194161 179.3406       26.88745 142.6000       50.10415 194.2000       31.86407 76.77370 16.43414 95.26834 8.249453 -18.49464      18.38843 
1 1 1 14 4  -8  o 35.81564 12.72990 26.04917       23.45118 9.521000       47.58934 31.35000       26.95064 38.58043 16.61796 38.70592 13.65717 -0.1254883     21.50988 
1 1 1 14 4  -7  o 81.94277 7.924489 143.0195       26.25785 97.46000       49.45963 160.9000       30.98498 62.80239 18.18978 86.54723 8.868557 -23.74484      20.23659 
1 1 1 14 4  -6  o 62.72820 9.902615 86.09177       24.59235 89.62000       48.34351 84.86000       28.56440 60.57940 18.10193 61.50407 11.77082 -0.9246750     21.59241 
1 1 1 14 4  -5  o 100.6172 6.839292 212.6658       28.01035 148.0000       50.87158 240.8000       33.55484 79.26470 16.22069 106.7273 7.730525 -27.46257      17.96863 
1 1 1 14 4  -4  o 67.99628 9.333022 99.93648       25.30065 53.62000       48.15208 117.6000       29.73624 49.84022 18.17293 73.52039 10.14801 -23.68018      20.81435 
1 1 1 14 4  -3  o 56.62638 6.943296 67.95354       15.76285 58.44491       18.83517 90.18000       28.79689 51.78583 9.220535 63.76056 11.45065 -11.97473      14.70156 
1 1 1 14 4  -2  o 76.86726 5.425727 123.0786       16.96775 136.7187       20.65734 94.79000       29.74891 80.80329 6.292983 65.39623 11.53072 15.40706       13.13617 
1 1 1 14 4  -1  o 114.1362 4.247752 269.1171       19.81748 271.9894       24.36301 263.5000       34.07000 114.4875 5.210608 111.8941 7.478960 2.593407       9.115113 
1 1 1 14 4  0   o 42.98649 9.687036 40.77365       16.64114 42.03000       20.54941 38.38000       28.36444 43.34377 11.42051 42.14003 14.03787 1.203732       18.09668 
1 1 1 14 4  1   o 158.4739 5.546385 521.5000       35.93537 521.5000       35.93537 0.000000       0.000000 158.4739 5.546385 ?        ?        ?              ?        
1 1 1 14 4  2   o 17.38646 8.207440 -16.46646      15.28294 -10.48000      18.66875 -28.63000      26.61094 21.29085 9.702855 22.68854 10.74603 -1.397688      14.47835 
1 1 1 14 4  3   o 78.81053 5.323830 129.2911       17.07956 142.7188       21.07554 103.6000       29.15194 82.56119 6.281311 68.75487 10.70295 13.80632       12.41000 
1 1 1 14 4  4   o 130.6403 3.929740 352.1483       20.99769 356.1058       26.04523 344.8000       35.49055 131.1053 4.859996 128.2918 6.780070 2.813507       8.341996 
1 1 1 14 4  5   o 84.80753 6.152751 150.5745       21.22094 150.5745       21.22094 0.000000       0.000000 84.80753 6.152751 ?        ?        ?              ?        
1 1 1 14 4  6   o 41.93905 10.71438 39.39889       18.46442 39.39889       18.46442 0.000000       0.000000 41.93905 10.71438 ?        ?        ?              ?        
1 1 1 14 4  7   o 35.84080 11.27206 28.02402       18.44593 28.02402       18.44593 0.000000       0.000000 35.84080 11.27206 ?        ?        ?              ?        
1 1 1 14 4  8   o 119.3102 4.066427 294.3438       19.83717 307.4825       25.14743 272.7000       32.27629 121.6204 5.060723 113.7516 6.962854 7.868828       8.607686 
1 1 1 14 4  9   o 56.00183 6.759743 66.73171       15.18768 68.25871       19.28794 64.24000       24.63857 55.98628 8.695578 53.12980 11.64726 2.856480       14.53519 
1 1 1 14 4  10  o 87.63464 4.826862 159.9221       17.25379 177.6936       22.36563 133.8000       27.11584 91.98929 5.969963 78.71071 8.550494 13.27858       10.42839 
1 1 1 14 4  11  o 122.0294 3.964823 308.3054       19.78499 324.8223       25.47506 283.2000       31.40761 124.8553 4.992987 115.7830 6.652701 9.072319       8.317954 
1 1 1 14 4  12  o 76.24177 5.243969 121.8597       16.27138 127.2123       21.09652 114.0000       25.56412 77.33287 6.729207 72.21117 8.829165 5.121704       11.10119 
1 1 1 14 4  13  o 64.26512 6.010312 87.59310       15.63254 76.42622       20.26583 104.0000       24.56472 58.90652 8.660180 68.72294 8.941213 -9.816418      12.44765 
1 1 1 14 4  14  o 128.0611 3.886862 340.2909       20.35812 330.3727       26.23607 355.3000       32.27436 125.5703 5.113248 129.6094 6.098404 -4.039154      7.958382 
1 1 1 14 4  15  o 50.43900 7.634844 55.83195       15.27585 33.54414       20.22400 85.44000       23.30978 37.83832 11.78860 61.57476 9.554560 -23.73644      15.17435 
1 1 1 14 4  16  o 109.3315 4.050642 249.0126       18.10265 263.7854       23.71851 228.4000       28.01711 111.9206 5.189638 103.1964 6.665977 8.724121       8.447934 
1 1 1 14 4  17  o 153.5949 4.156725 492.3613       26.11879 467.8000       37.41817 515.7000       36.47496 148.0126 6.187543 155.8775 5.724337 -7.864883      8.429338 
1 1 1 14 4  18  o 79.45679 5.760275 134.9185       18.61400 130.3000       27.54538 138.8000       25.25220 75.82622 9.050117 79.17926 7.893738 -3.353043      12.00899 
1 1 1 14 4  19  o 58.30439 6.325327 73.88000       14.85945 66.26981       19.01722 85.81000       23.81054 53.68144 8.967761 60.50059 9.957481 -6.819153      13.40045 
1 1 1 14 4  20  o 69.13168 5.280489 102.1873       14.83462 84.47044       19.23407 128.2000       23.30618 61.27709 7.845382 75.82491 7.609184 -14.54782      10.92931 
1 1 1 14 4  21  o 74.58461 5.941313 120.7281       17.99509 104.6000       27.98358 132.1000       23.49791 65.36594 10.83426 76.71780 7.579032 -11.35186      13.22206 
1 1 1 14 4  22  o 49.82874 6.932545 55.88305       13.76228 36.95218       17.72976 84.58000       21.82908 37.97134 10.85770 59.55477 9.251602 -21.58342      14.26470 
1 1 1 14 4  23  o 41.68552 8.521560 41.61497       14.05405 43.22052       18.28945 39.30000       21.96147 40.75080 10.79164 37.65184 12.34452 3.098957       16.39655 
1 1 1 14 4  24  o 30.68675 9.848038 23.84314       14.01985 17.99825       18.15415 32.48000       22.06815 28.00515 10.93972 34.20081 12.32627 -6.195663      16.48072 
1 1 1 14 4  25  o 24.84842 9.688545 12.95012       14.21761 19.84784       18.29972 2.446000       22.58247 28.68219 11.04388 24.28166 10.90554 4.400534       15.52089 
1 1 1 14 4  26  f 41.73780 9.140233 43.29248       15.18747 43.52114       19.39485 42.93000       24.41962 39.88758 11.33996 37.97462 13.02377 1.912960       17.26885 
1 1 1 14 4  27  o 16.86463 7.955789 -10.58691      14.31626 -14.41658      18.34571 -4.623000      22.89389 18.51366 8.812816 22.62763 10.46941 -4.113976      13.68482 
1 1 1 14 4  28  o 23.94089 9.689257 11.65273       14.73809 3.107188       18.52697 26.38000       24.32180 22.36259 9.972591 30.66672 12.43407 -8.304123      15.93922 
1 1 1 14 4  29  o 22.79729 9.470634 9.753837       14.55581 9.412266       18.69260 10.28000       23.20006 23.90596 10.35628 25.28569 11.22480 -1.379726      15.27248 
1 1 1 14 4  30  o 23.05914 11.08005 -10.74000      30.50400 -10.74000      30.50400 0.000000       0.000000 23.05914 11.08005 ?        ?        ?              ?        
1 1 1 14 5  -28 o 20.01117 9.107988 -0.6748024     16.38328 4.626518       19.65826 -12.73000      29.64423 22.69313 10.18491 22.63489 10.88818 0.5823708E-01  14.90922 
1 1 1 14 5  -27 o 28.45951 10.60050 21.85989       16.53177 37.48732       19.76855 -14.49000      30.14967 35.28886 11.71827 22.84694 10.98773 12.44192       16.06387 
1 1 1 14 5  -26 o 35.39653 10.54088 34.22894       16.41411 33.74334       19.73157 35.32000       29.57658 34.17023 11.70743 33.58120 13.67612 0.5890350      18.00279 
1 1 1 14 5  -25 o 19.70596 8.956476 -2.926691      15.77339 -8.829826      18.76454 11.29000       29.12029 19.88958 9.295166 27.99739 12.49292 -8.107809      15.57155 
1 1 1 14 5  -24 o 31.77854 11.48928 26.92179       19.19141 37.18000       25.25396 12.90000       29.52538 35.53916 13.12705 28.65594 12.69494 6.883213       18.26146 
1 1 1 14 5  -23 o 20.69855 9.448318 -3.610495      17.79491 11.60000       22.89700 -26.81000      28.27784 26.79156 11.53335 21.40805 10.37968 5.383503       15.51631 
1 1 1 14 5  -22 f 43.62785 10.44722 49.33895       18.41636 55.18000       23.54329 40.13000       29.56151 44.08983 12.48036 36.40947 14.03206 7.680359       18.77919 
1 1 1 14 5  -21 o 22.51123 9.790412 3.661062       16.84100 2.335000       21.17626 5.943000       27.77917 24.01665 10.68905 27.15671 12.15385 -3.140062      16.18554 
1 1 1 14 5  -20 o 25.11751 9.706501 12.58941       14.17301 6.715481       16.51058 29.04000       27.63050 23.60674 9.964869 33.85383 13.41294 -10.24709      16.70945 
1 1 1 14 5  -19 o 34.69090 9.756948 29.41340       14.43705 28.23677       16.84444 32.67000       28.02323 33.69127 10.79283 35.65255 13.68229 -1.961277      17.42671 
1 1 1 14 5  -18 o 26.82917 10.56462 13.31955       17.04610 13.31955       17.04610 0.000000       0.000000 26.82917 10.56462 ?        ?        ?              ?        
1 1 1 14 5  -17 o 39.34283 14.94097 40.02000       33.19073 40.02000       33.19073 0.000000       0.000000 39.34283 14.94097 ?        ?        ?              ?        
1 1 1 14 5  -16 o 34.21280 12.07927 27.56087       21.08540 16.80000       32.91527 35.05000       27.45931 33.02905 14.01184 37.70692 13.72726 -4.677868      19.61554 
1 1 1 14 5  -15 o 29.44174 11.64982 15.54510       20.81897 30.07000       35.67818 8.046000       25.63602 37.39944 15.09722 28.73894 12.28435 8.660498       19.46359 
1 1 1 14 5  -14 o 32.79152 12.13374 23.10289       21.59354 56.74000       41.17261 10.34000       25.36142 45.89824 16.79358 29.47131 12.39022 16.42693       20.86964 
1 1 1 14 5  -13 o 66.98272 8.746057 100.1227       23.41590 77.41000       43.82046 109.2000       27.70270 52.72278 17.44463 69.09859 10.08846 -16.37580      20.15173 
1 1 1 14 5  -12 o 21.37604 9.057730 2.371036       13.72749 -2.028915      16.49351 12.29000       24.76409 21.64933 9.544177 30.18332 12.42815 -8.533993      15.67004 
1 1 1 14 5  -11 o 92.09949 4.591033 177.2807       17.25920 185.1206       21.42786 162.8000       29.12180 93.65132 5.613562 86.24963 8.350198 7.401688       10.06170 
1 1 1 14 5  -10 o 22.88993 9.332333 5.729131       13.79043 3.475446       16.81452 10.36000       24.10289 23.78290 10.04856 29.57331 12.22731 -5.790409      15.82658 
1 1 1 14 5  -9  o 29.26865 9.714132 18.32574       13.58531 5.599113       16.39684 46.19000       24.26204 24.38254 10.08344 44.08291 12.73149 -19.70037      16.24089 
1 1 1 14 5  -8  o 54.13008 6.728034 62.82914       14.59161 70.47344       17.84002 47.38000       25.36173 56.92831 7.862934 44.68831 13.04925 12.23999       15.23512 
1 1 1 14 5  -7  o 33.21731 9.576758 24.67593       13.73910 37.09567       16.73546 -0.9983000     24.06191 40.38506 10.13706 26.54514 11.62057 13.83991       15.42068 
1 1 1 14 5  -6  o 18.61313 8.370845 -5.352209      13.35481 -16.60515      16.25488 18.02000       23.42613 17.94315 8.468460 32.30492 12.48039 -14.36177      15.08228 
1 1 1 14 5  -5  o 52.72782 6.970994 59.60273       14.68241 48.12798       17.88001 83.36000       25.72733 46.33737 9.733586 60.89809 10.70802 -14.56071      14.47082 
1 1 1 14 5  -4  o 79.47855 4.949596 131.7913       16.02814 133.1198       19.84682 129.3000       27.17829 79.48190 6.145862 77.22362 8.748991 2.258286       10.69189 
1 1 1 14 5  -3  o 80.17773 7.428267 137.1004       24.11015 79.96000       48.26527 156.1000       27.83137 56.29270 18.29031 85.29868 8.064074 -29.00598      19.98911 
1 1 1 14 5  -2  o 34.78650 9.645831 26.98578       14.21800 47.36360       17.58614 -11.47000      24.15864 46.07139 9.632570 24.25614 11.04783 21.81525       14.65745 
1 1 1 14 5  -1  o 95.65705 4.475800 189.9656       17.48261 189.6093       21.84797 190.6000       29.15025 95.18604 5.630642 94.60969 7.588158 0.5763550      9.449035 
1 1 1 14 5  0   o 43.45190 8.615547 41.60212       14.78740 42.23674       18.05722 40.31000       25.76606 43.27038 10.33404 42.05860 13.33457 1.211784       16.87019 
1 1 1 14 5  1   o 124.8464 4.035687 322.5262       20.60378 311.0473       25.40224 344.6000       35.22578 122.2218 5.086854 127.8527 6.752566 -5.630936      8.454185 
1 1 1 14 5  2   o 90.26936 4.825243 169.6256       17.77064 157.6800       21.97506 192.2000       30.20892 86.54176 6.243223 94.86235 7.847225 -8.320587      10.02780 
1 1 1 14 5  3   o 71.07682 5.743493 106.1650       16.57359 98.53839       20.66901 119.9000       27.73751 67.81761 7.572137 74.07642 9.352642 -6.258804      12.03367 
1 1 1 14 5  4   o 58.82220 6.673143 73.65446       15.78930 64.69253       19.56741 90.38000       26.73146 54.18513 9.144320 63.54482 10.64998 -9.359688      14.03712 
1 1 1 14 5  5   o 89.10644 4.829865 165.4523       17.55666 153.6949       22.05319 185.8000       29.01171 85.32545 6.357716 93.24278 7.666251 -7.917336      9.959516 
1 1 1 14 5  6   o 41.39297 9.795121 38.67148       16.34167 20.06000       21.45644 64.38000       25.21771 32.46803 12.07991 52.72877 11.95617 -20.26074      16.99631 
1 1 1 14 5  7   o 25.10464 10.07966 7.966119       15.81147 -2.147000      21.28035 20.43000       23.62451 24.75437 10.87966 33.18444 12.60455 -8.430067      16.65057 
1 1 1 14 5  8   o 52.92084 7.960093 61.13388       16.71548 71.75000       23.23234 49.74000       24.06834 56.25868 10.47029 45.90014 12.47999 10.35854       16.29040 
1 1 1 14 5  9   o 93.96703 4.695835 184.3096       18.01086 184.8372       23.78129 183.6000       27.58153 93.41666 6.253095 92.52535 7.340137 0.8913040      9.642551 
1 1 1 14 5  10  o 69.78835 5.671237 102.9711       16.06679 118.9235       21.42903 82.49000       24.28102 74.37865 7.123001 60.32162 10.19316 14.05703       12.43534 
1 1 1 14 5  11  o 89.54222 4.847288 167.9872       17.70634 170.0348       22.83521 164.9000       28.03966 89.40525 6.277498 87.06524 7.952808 2.340012       10.13184 
1 1 1 14 5  12  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 5  13  o 58.63856 8.893383 77.22720       20.68462 77.22720       20.68462 0.000000       0.000000 58.63856 8.893383 ?        ?        ?              ?        
1 1 1 14 5  14  o 41.38520 11.32152 41.30795       19.73684 41.30795       19.73684 0.000000       0.000000 41.38520 11.32152 ?        ?        ?              ?        
1 1 1 14 5  15  o 75.13551 5.166236 119.6654       15.79765 126.6948       21.15298 110.8000       23.75527 76.36491 6.837040 70.35866 8.412016 6.006248       10.84007 
1 1 1 14 5  16  o 63.68150 5.861868 87.21966       15.11390 68.96532       19.70569 113.3000       23.55403 54.75537 9.108907 71.07821 8.245728 -16.32284      12.28675 
1 1 1 14 5  17  o 18.82187 8.440984 -3.499383      13.47417 -0.1719569     18.08782 -7.648000      20.19685 22.70376 10.00249 21.90945 10.02558 0.7943039      14.16199 
1 1 1 14 5  18  o 63.11767 5.905535 86.32629       15.08560 87.95866       19.82310 84.08000       23.25374 62.38422 7.939844 59.51279 9.889349 2.871429       12.68228 
1 1 1 14 5  19  o 22.67921 9.241712 7.390810       13.51561 2.992603       17.87626 13.26000       20.65037 23.21742 10.09230 27.70462 11.37202 -4.487202      15.20452 
1 1 1 14 5  20  o 22.46589 9.217237 7.251706       13.55777 -11.36315      18.00152 31.65000       20.60910 19.36287 9.066924 34.73915 11.96274 -15.37627      15.01054 
1 1 1 14 5  21  o 32.34012 9.970451 26.43014       14.51013 28.15558       18.78826 23.88000       22.84120 32.81621 11.41595 31.17703 12.24364 1.639185       16.74009 
1 1 1 14 5  22  f 22.62239 9.373562 7.692788       14.20701 -5.436425      18.75723 25.36000       21.75873 20.81066 9.573992 31.32366 12.04728 -10.51300      15.38825 
1 1 1 14 5  23  o 42.33075 7.795110 42.38205       13.01376 34.57838       15.54174 60.69000       23.80511 36.51339 10.06958 46.35707 12.32825 -9.843681      15.91799 
1 1 1 14 5  24  o 19.24304 8.923141 -7.240334      16.76894 -24.94000      23.73480 10.40000       23.69498 19.66339 9.528011 26.65022 11.60149 -6.986835      15.01258 
1 1 1 14 5  25  o 24.30556 10.17047 9.865622       16.96496 10.74000       24.16621 9.016000       23.82165 26.69490 11.66685 26.15336 11.50217 0.5415363      16.38339 
1 1 1 14 5  26  o 41.69303 10.48873 46.83602       17.88811 27.65000       24.94397 67.15000       25.66674 31.29953 12.62751 47.11575 12.91944 -15.81622      18.06560 
1 1 1 14 5  27  o 15.17968 7.570762 -37.93767      19.00324 -37.93767      19.00324 0.000000       0.000000 15.17968 7.570762 ?        ?        ?              ?        
1 1 1 14 5  28  o 25.85702 10.83070 15.56938       19.26877 15.56938       19.26877 0.000000       0.000000 25.85702 10.83070 ?        ?        ?              ?        
1 1 1 14 6  -26 o 49.81907 11.63758 72.74422       23.30911 67.38000       34.51931 77.24000       31.60170 40.39773 15.26086 45.46680 14.80186 -5.069073      21.26003 
1 1 1 14 6  -25 o 33.91940 12.50757 36.21701       22.91002 31.62000       33.64782 40.19000       31.28082 31.69905 13.81180 33.97104 13.97582 -2.271984      19.64915 
1 1 1 14 6  -24 o 19.72412 9.459929 -17.10233      22.00286 8.208000       33.18882 -36.95000      29.38987 27.67694 12.73369 20.25615 9.978960 7.420792       16.17796 
1 1 1 14 6  -23 o 35.88381 12.56866 37.82499       22.79634 -12.50000      33.31402 82.14000       31.26156 24.91542 11.86456 50.97853 14.36444 -26.06311      18.63075 
1 1 1 14 6  -22 o 18.81119 9.085918 -22.01540      21.15308 -31.35000      30.60721 -13.48000      29.26766 21.72853 10.59464 23.63018 11.21469 -1.901648      15.42776 
1 1 1 14 6  -21 o 42.13529 10.10410 45.72391       17.20745 47.38348       20.84142 42.17000       30.49878 41.31229 11.75865 36.75806 14.22963 4.554222       18.45937 
1 1 1 14 6  -20 o 53.59911 7.889546 67.53349       16.79796 66.64816       20.10567 69.58000       30.56867 51.41814 9.908733 46.92159 14.47264 4.496552       17.53968 
1 1 1 14 6  -19 o 55.66162 10.16107 77.98192       22.30591 39.09000       31.94203 115.0000       31.16304 36.14358 14.38867 65.44521 12.07356 -29.30163      18.78310 
1 1 1 14 6  -18 o 23.71153 10.09543 6.517085       17.19287 -3.353000      21.60982 23.54000       28.37969 22.92197 10.44350 31.96337 13.24648 -9.041397      16.86819 
1 1 1 14 6  -17 o 34.93437 10.77546 31.02663       16.94535 20.30000       20.94872 51.33000       28.82105 30.08514 11.75178 42.00181 14.15262 -11.91668      18.39568 
1 1 1 14 6  -16 o 58.02151 7.712246 76.35408       17.86956 63.06000       22.28450 100.3000       29.90814 50.08380 11.15269 62.56565 12.11203 -12.48185      16.46462 
1 1 1 14 6  -15 o 19.71595 8.792616 -2.377043      14.40331 2.082870       17.03501 -13.56000      26.97475 22.68495 9.856493 23.90337 11.16232 -1.218418      14.89120 
1 1 1 14 6  -14 o 67.95313 5.932072 99.70856       16.34063 95.03593       19.50715 110.7000       29.91856 65.40068 7.414984 67.49944 11.21832 -2.098763      13.44741 
1 1 1 14 6  -13 o 69.29240 6.913607 105.1684       19.35464 105.1684       19.35464 0.000000       0.000000 69.29240 6.913607 ?        ?        ?              ?        
1 1 1 14 6  -12 o 45.60805 10.15261 49.36444       18.47248 49.36444       18.47248 0.000000       0.000000 45.60805 10.15261 ?        ?        ?              ?        
1 1 1 14 6  -11 o 87.81387 6.013372 165.1194       21.49198 165.1194       21.49198 0.000000       0.000000 87.81387 6.013372 ?        ?        ?              ?        
1 1 1 14 6  -10 o 73.13673 5.596536 113.8458       16.63289 126.2181       20.45507 89.70000       28.57570 76.47682 6.596415 60.99716 11.86824 15.47966       13.57821 
1 1 1 14 6  -9  o 86.26972 4.866066 156.5545       17.11972 145.8891       21.01464 177.6000       29.51965 82.54996 6.263749 89.84488 8.111316 -7.294922      10.24832 
1 1 1 14 6  -8  o 37.30790 9.572772 32.19325       14.69514 33.48345       17.88246 29.51000       25.78865 37.68007 10.94450 36.29952 13.28937 1.380554       17.21597 
1 1 1 14 6  -7  o 69.14293 5.638161 101.4400       15.82437 108.2026       19.49554 88.38000       27.09254 70.87303 6.801218 61.50004 11.16974 9.372990       13.07745 
1 1 1 14 6  -6  o 80.89567 5.077964 137.6313       16.73566 127.9084       20.61977 156.4000       28.64865 77.28346 6.578341 84.39008 8.402164 -7.106621      10.67103 
1 1 1 14 6  -5  o 23.69472 9.487597 7.483016       13.96868 0.4680154      17.16667 21.23000       24.03123 22.90182 9.922917 33.11541 12.67997 -10.21359      16.10112 
1 1 1 14 6  -4  o 72.47709 5.370334 110.7875       15.82450 103.2369       19.53470 125.2000       26.98899 69.25587 6.983805 75.22494 8.936368 -5.969063      11.34161 
1 1 1 14 6  -3  o 39.75359 9.296714 35.95344       14.86156 27.72567       18.44910 51.16000       25.08128 34.95892 11.30418 46.04269 12.82804 -11.08377      17.09804 
1 1 1 14 6  -2  o 61.76085 6.252055 81.38055       15.59350 85.89310       19.70499 73.82000       25.50599 62.77010 7.836789 56.25821 11.46173 6.511890       13.88476 
1 1 1 14 6  -1  o 55.95296 6.904002 67.50017       15.48276 84.01225       19.64939 40.46000       25.14507 62.04770 7.913768 41.28331 13.18261 20.76439       15.37559 
1 1 1 14 6  0   f 65.31353 6.106604 90.72921       16.14222 85.62411       20.45831 99.15000       26.27507 62.52262 8.187677 66.36440 9.977570 -3.841778      12.90697 
1 1 1 14 6  1   o 27.56938 10.08582 14.64434       14.84979 32.51921       18.91911 -14.04000      23.96634 37.48381 11.35202 23.26580 10.74598 14.21802       15.63152 
1 1 1 14 6  2   o 35.42318 9.831145 28.66742       14.76231 30.07858       18.91763 26.47000       23.60659 36.21278 11.41883 35.18032 12.73933 1.032455       17.10789 
1 1 1 14 6  3   o 109.7956 4.188379 250.8327       18.79569 253.9517       24.01387 245.9000       30.19887 109.9237 5.351227 107.2427 6.913833 2.681015       8.742809 
1 1 1 14 6  4   o 64.30395 6.102158 88.08823       15.87510 109.8173       20.62472 56.50000       24.86739 71.36345 7.154489 48.48307 12.45934 22.88038       14.36739 
1 1 1 14 6  5   o 48.49595 7.872401 51.85726       15.09723 37.21129       19.66318 72.89000       23.56366 39.74930 11.45593 56.23279 10.62281 -16.48349      15.62314 
1 1 1 14 6  6   o 18.46458 8.418861 -7.148308      14.07618 7.111996       18.33650 -27.61000      21.96457 25.76927 10.66064 19.54651 9.394770 6.222752       14.20954 
1 1 1 14 6  7   o 30.12069 9.967726 19.98176       14.30673 35.55141       19.25295 0.7832000      21.37924 38.76286 11.38360 25.23262 11.00164 13.53024       15.83106 
1 1 1 14 6  8   o 86.28727 4.812799 156.3783       16.93732 147.9125       22.52157 167.4000       25.69735 82.94775 6.687501 87.94682 7.198754 -4.999069      9.825718 
1 1 1 14 6  9   o 57.21267 6.620159 70.83524       15.22321 64.21631       20.52414 78.93000       22.69726 52.78682 9.857872 58.69262 9.788763 -5.905807      13.89235 
1 1 1 14 6  10  o 69.83314 5.674596 103.9553       16.08664 100.4415       22.12010 107.9000       23.43684 67.22890 8.205190 69.58281 8.395161 -2.353912      11.73899 
1 1 1 14 6  11  o 56.85765 6.619836 70.30334       15.12415 64.23345       20.06447 78.29000       23.01547 52.65734 9.661532 57.98765 10.05746 -5.330307      13.94625 
1 1 1 14 6  12  o 106.2551 4.186574 236.4363       18.17951 224.0569       23.37176 255.4000       28.92703 102.5413 5.587434 108.7321 6.527182 -6.190826      8.592062 
1 1 1 14 6  13  o 55.31373 8.089108 68.93793       17.77973 90.51000       27.77429 53.96000       23.14317 60.86877 11.56630 46.31661 12.07940 14.55215       16.72397 
1 1 1 14 6  14  o 47.13467 9.258675 52.02264       17.23174 70.26000       27.05830 39.58000       22.34991 52.21704 12.76418 39.38172 12.41068 12.83532       17.80307 
1 1 1 14 6  15  o 28.80886 10.66336 18.04145       16.67951 -13.18000      27.39176 36.44000       21.02738 24.15616 11.26976 37.78223 12.05396 -13.62607      16.50168 
1 1 1 14 6  16  o 73.70631 7.492449 122.0528       22.29878 122.0528       22.29878 0.000000       0.000000 73.70631 7.492449 ?        ?        ?              ?        
1 1 1 14 6  17  o 29.94218 10.72459 21.38851       16.67641 -8.352000      26.06491 42.00000       21.69885 24.01661 11.13258 39.56301 12.19182 -15.54640      16.50983 
1 1 1 14 6  18  o 42.59583 13.89859 53.64000       27.85444 53.64000       27.85444 0.000000       0.000000 42.59583 13.89859 ?        ?        ?              ?        
1 1 1 14 6  19  o 20.04452 9.757761 -29.77000      25.67202 -29.77000      25.67202 0.000000       0.000000 20.04452 9.757761 ?        ?        ?              ?        
1 1 1 14 6  20  o 23.17973 10.31978 2.299678       19.75421 2.299678       19.75421 0.000000       0.000000 23.17973 10.31978 ?        ?        ?              ?        
1 1 1 14 6  21  o 19.91910 8.991431 -2.083706      15.57245 -2.113314      19.98978 -2.038000      24.83650 22.12494 10.06639 24.10477 11.06272 -1.979837      14.95714 
1 1 1 14 6  22  o 25.17703 10.09345 12.74592       15.82964 19.19144       20.46463 3.145000       24.97651 28.68203 11.48397 25.23089 11.38835 3.451139       16.17332 
1 1 1 14 6  23  o 21.06705 9.303596 1.829870       15.73699 -4.981407      20.42503 11.78000       24.68668 21.51959 9.932640 27.07185 11.81248 -5.552261      15.43347 
1 1 1 14 6  24  o 37.34241 12.08465 41.31030       21.08202 41.31030       21.08202 0.000000       0.000000 37.34241 12.08465 ?        ?        ?              ?        
1 1 1 14 6  25  o 19.69308 9.344186 -11.29196      20.29760 -11.29196      20.29760 0.000000       0.000000 19.69308 9.344186 ?        ?        ?              ?        
1 1 1 14 6  26  o 29.56264 11.68802 25.59030       20.93984 25.59030       20.93984 0.000000       0.000000 29.56264 11.68802 ?        ?        ?              ?        
1 1 1 14 7  -24 o 25.64643 10.50672 15.72038       17.58385 20.89140       21.31612 4.708000       31.10720 27.86698 11.50805 25.61909 11.97119 2.247892       16.60556 
1 1 1 14 7  -23 o 20.16759 9.235583 -2.056763      17.18297 -4.807073      20.66653 4.102000       30.92599 21.06042 9.813314 25.80521 12.01759 -4.744797      15.51527 
1 1 1 14 7  -22 o 20.57802 9.343734 -1.173981      17.11537 11.53488       20.92948 -26.83000      29.73718 25.53412 11.00967 21.40942 10.43991 4.124699       15.17249 
1 1 1 14 7  -21 o 19.25993 8.906301 -5.997331      16.53425 -9.595232      19.93480 1.934000       29.59785 20.23120 9.495187 26.02604 11.99258 -5.794834      15.29642 
1 1 1 14 7  -20 o 45.92317 9.521256 53.04778       17.31579 47.75457       21.19551 63.67000       30.02563 41.15887 11.90358 44.38237 14.42655 -3.223492      18.70349 
1 1 1 14 7  -19 f 32.35021 11.06935 27.87307       17.63799 13.79839       21.85128 54.19000       29.87963 27.16816 11.46578 41.03489 14.38821 -13.86673      18.39795 
1 1 1 14 7  -18 o 34.43853 11.70283 32.71999       19.70876 21.68000       26.32906 46.79000       29.72338 30.38330 12.68875 38.41801 14.23211 -8.034714      19.06718 
1 1 1 14 7  -17 o 36.25554 10.54952 34.67031       16.60170 49.34275       20.37839 5.715000       28.62745 42.59039 11.44250 26.97666 12.18284 15.61373       16.71383 
1 1 1 14 7  -16 o 29.40899 10.48471 21.49032       15.91987 4.563800       19.21617 58.53000       28.42606 23.70146 10.37999 43.68750 14.02311 -19.98604      17.44683 
1 1 1 14 7  -15 o 63.98224 6.585838 91.58553       17.00805 90.65939       20.73521 93.49000       29.73405 62.11762 8.364473 58.35155 12.79750 3.766071       15.28857 
1 1 1 14 7  -14 f 32.33780 10.22826 26.14898       15.16776 28.59582       18.43405 21.02000       26.68906 33.37333 11.31832 31.16940 12.87491 2.203930       17.14257 
1 1 1 14 7  -13 o 43.86567 8.747317 45.57461       15.16035 41.49907       18.54707 53.78000       26.31676 40.31221 10.95323 43.85757 13.41028 -3.545364      17.31499 
1 1 1 14 7  -12 o 70.21927 5.770310 106.8291       16.44503 113.5496       20.26808 93.88000       28.13402 71.49376 7.013565 60.96459 11.69545 10.52917       13.63721 
1 1 1 14 7  -11 o 29.16983 10.67104 18.91774       16.62292 27.66000       22.13357 7.607000       25.17591 33.76432 12.31944 27.75439 12.02114 6.009937       17.21268 
1 1 1 14 7  -10 o 39.40759 10.41415 37.95454       17.05500 23.57000       22.65757 56.76000       25.90642 32.37666 12.33296 46.37064 13.07997 -13.99398      17.97741 
1 1 1 14 7  -9  o 46.94193 8.381508 50.43559       15.51928 61.61654       19.69254 32.11000       25.21107 51.09598 9.768112 36.15835 13.15482 14.93763       16.38491 
1 1 1 14 7  -8  o 30.73930 10.07101 21.87905       14.61813 45.95116       18.37183 -19.66000      24.13369 43.66969 10.41996 21.68740 10.26052 21.98229       14.62374 
1 1 1 14 7  -7  o 51.83115 9.273752 62.19380       18.95942 62.19380       18.95942 0.000000       0.000000 51.83115 9.273752 ?        ?        ?              ?        
1 1 1 14 7  -6  o 25.96286 10.71140 8.793665       18.44316 8.793665       18.44316 0.000000       0.000000 25.96286 10.71140 ?        ?        ?              ?        
1 1 1 14 7  -5  o 55.15388 9.125291 69.67731       19.88851 69.67731       19.88851 0.000000       0.000000 55.15388 9.125291 ?        ?        ?              ?        
1 1 1 14 7  -4  o 35.51796 9.771442 29.66705       14.65498 32.68644       18.66224 24.81000       23.66959 36.83418 11.29856 33.66145 12.65421 3.172722       16.96427 
1 1 1 14 7  -3  o 26.52469 9.847334 13.80464       14.24376 9.622598       18.47097 19.94000       22.37256 26.39688 10.78599 31.57113 12.19662 -5.174253      16.28174 
1 1 1 14 7  -2  o 27.67844 9.956915 15.92456       14.39176 -10.20550      18.64710 54.42000       22.63319 20.62567 9.509455 47.16867 11.75975 -26.54300      15.12354 
1 1 1 14 7  -1  o 27.36142 9.946116 15.28448       14.40800 40.19275       18.78452 -20.31000      22.45533 40.87181 10.98816 20.85399 9.875433 20.01781       14.77375 
1 1 1 14 7  0   o 76.16825 8.324726 129.1000       25.54154 129.1000       25.54154 0.000000       0.000000 76.16825 8.324726 ?        ?        ?              ?        
1 1 1 14 7  1   o 51.31299 7.611627 58.37687       15.50891 41.38162       20.05192 83.68000       24.46693 41.26451 11.46001 59.86289 10.35623 -18.59838      15.44614 
1 1 1 14 7  2   o 53.52259 7.354062 63.15025       15.69152 62.58690       20.70734 63.91000       24.04776 51.71759 10.14084 51.24693 11.71590 0.4706573      15.49513 
1 1 1 14 7  3   o 50.44635 7.657076 56.56725       15.32050 47.15828       19.68828 71.01000       24.39282 44.27971 10.92658 54.32739 11.33250 -10.04768      15.74217 
1 1 1 14 7  4   o 72.67740 5.620389 112.6970       16.59605 81.00494       21.19673 162.9000       26.67830 59.71584 8.943602 86.05067 7.651150 -26.33484      11.76980 
1 1 1 14 7  5   o 20.75285 9.067168 -0.2663025     14.58673 4.615716       18.98347 -7.304000      22.79246 24.83662 10.59235 23.56574 10.73242 1.270876       15.07921 
1 1 1 14 7  6   o 67.30953 5.935201 97.39281       16.19083 88.71140       20.90707 110.4000       25.59115 62.80822 8.334825 69.49721 9.220123 -6.688992      12.42900 
1 1 1 14 7  7   o 28.84332 10.20629 18.18100       15.06022 24.22990       19.77168 9.821000       23.24388 32.56595 11.67597 28.16067 11.85177 4.405281       16.63709 
1 1 1 14 7  8   o 162.8879 4.370992 557.0010       29.12731 527.5000       41.89591 584.6000       40.52288 156.1031 6.569127 165.0802 6.004890 -8.977158      8.900120 
1 1 1 14 7  9   o 24.94105 9.849845 10.48846       14.85627 9.850537       20.74533 11.16000       21.28493 27.06908 11.28074 27.70377 11.47566 -0.6346931     16.09179 
1 1 1 14 7  10  o 26.05154 10.62114 10.45373       17.86201 -0.1926000     30.77898 15.86000       21.93325 28.07827 12.66073 29.37983 11.84522 -1.301559      17.33791 
1 1 1 14 7  11  o 45.69836 9.819619 50.18537       17.82697 58.82000       29.57930 45.26000       22.34013 45.93765 14.24800 41.72345 12.26486 4.214203       18.79979 
1 1 1 14 7  12  o 29.26178 10.80938 19.21039       17.12435 40.46000       29.27961 8.163000       21.11153 38.53815 14.15189 26.27717 11.18731 12.26098       18.03973 
1 1 1 14 7  13  o 56.05821 6.942466 70.37791       15.59564 58.35601       21.51453 83.69000       22.63958 47.83378 11.18527 58.95408 9.716644 -11.12030      14.81632 
1 1 1 14 7  14  f 37.69592 9.679586 35.21936       15.01718 18.21566       20.51714 54.84000       22.03950 29.07082 11.54522 45.52245 11.74559 -16.45164      16.46970 
1 1 1 14 7  15  o 40.76254 9.550879 41.23132       15.66102 29.79398       20.71499 56.49000       23.92659 33.54609 11.95991 45.10340 12.51541 -11.55731      17.31112 
1 1 1 14 7  16  o 32.84420 11.12743 28.46280       17.81716 20.01000       27.47142 34.60000       23.40808 30.34527 12.83376 35.06417 12.68726 -4.718901      18.04638 
1 1 1 14 7  17  o 38.95495 9.931397 38.91601       15.88725 30.75293       21.06283 49.69000       24.19791 33.45759 12.04431 41.16531 12.90539 -7.707722      17.65261 
1 1 1 14 7  18  o 27.50204 10.38953 17.86469       15.99929 2.643900       20.33293 42.61000       25.92554 23.47372 10.45905 37.58461 13.38193 -14.11089      16.98434 
1 1 1 14 7  19  f 31.04792 10.58788 25.05260       16.13429 15.01408       20.45316 41.59000       26.25180 27.23248 11.26191 37.10564 13.43446 -9.873156      17.53041 
1 1 1 14 7  20  o 40.96239 11.56363 46.52566       20.23972 28.61000       30.71205 60.28000       26.90990 32.53239 13.65329 44.37286 13.55916 -11.84047      19.24222 
1 1 1 14 7  21  o 31.83564 13.57003 27.36000       31.12730 27.36000       31.12730 0.000000       0.000000 31.83564 13.57003 ?        ?        ?              ?        
1 1 1 14 7  22  o 31.65500 13.47983 29.44000       30.66218 29.44000       30.66218 0.000000       0.000000 31.65500 13.47983 ?        ?        ?              ?        
1 1 1 14 7  23  o 26.31340 11.27929 14.87656       21.72422 14.87656       21.72422 0.000000       0.000000 26.31340 11.27929 ?        ?        ?              ?        
1 1 1 14 7  24  o 28.72349 11.59598 23.40067       21.05070 23.40067       21.05070 0.000000       0.000000 28.72349 11.59598 ?        ?        ?              ?        
1 1 1 14 8  -22 o 35.89715 15.16993 56.58000       38.33385 56.58000       38.33385 0.000000       0.000000 35.89715 15.16993 ?        ?        ?              ?        
1 1 1 14 8  -21 o 52.87642 8.895295 71.30704       18.57657 63.18594       22.60936 88.18000       32.58940 45.86991 11.92758 49.17870 14.90025 -3.308788      19.08624 
1 1 1 14 8  -20 o 20.01505 9.192508 -2.897373      17.19193 -11.56046      20.91690 15.14000       30.18197 19.92186 9.462255 27.86947 12.55455 -7.947607      15.72104 
1 1 1 14 8  -19 o 34.41642 11.06314 33.43266       17.68786 35.60842       21.69563 29.12000       30.54494 34.43518 12.24365 31.67199 13.46939 2.763193       18.20251 
1 1 1 14 8  -18 o 26.85904 11.44457 13.69695       22.12589 13.69695       22.12589 0.000000       0.000000 26.85904 11.44457 ?        ?        ?              ?        
1 1 1 14 8  -17 o 36.90800 10.85706 36.79140       17.50065 25.43959       21.35294 60.02000       30.54476 31.02073 11.93347 42.70647 14.56799 -11.68575      18.83173 
1 1 1 14 8  -16 o 18.55391 8.669773 -9.038645      16.31532 4.900193       19.97570 -36.97000      28.27710 23.92256 10.52653 20.16171 9.903909 3.760851       14.45321 
1 1 1 14 8  -15 o 23.99974 10.02796 9.150228       16.45706 -3.029317      20.28554 32.60000       28.14754 22.03900 10.07074 33.82697 13.49361 -11.78797      16.83738 
1 1 1 14 8  -14 o 21.08555 9.368930 0.7584020      16.20017 -13.37607      19.96414 28.01000       27.72087 19.69665 9.322683 32.39814 13.22287 -12.70149      16.17890 
1 1 1 14 8  -13 o 23.51717 9.891747 7.999216       16.17668 4.775072       20.03382 14.04000       27.42225 23.99116 10.54980 28.60405 12.46592 -4.612894      16.33087 
1 1 1 14 8  -12 o 28.41728 10.47985 19.47709       16.08459 10.34528       19.86124 36.88000       27.41820 25.69551 10.89182 35.57802 13.56340 -9.882505      17.39533 
1 1 1 14 8  -11 o 68.87308 6.259090 105.3896       17.45905 88.53889       21.71469 136.2000       29.36255 60.65937 9.016201 74.31494 9.894907 -13.65557      13.38660 
1 1 1 14 8  -10 o 35.18568 10.42216 31.68621       16.08071 52.40317       20.36959 -2.582000      26.19780 44.81799 11.14613 24.95634 11.41922 19.86165       15.95728 
1 1 1 14 8  -9  o 23.18915 9.607821 7.571069       14.92475 14.28332       19.18825 -2.709000      23.74648 27.27187 11.04907 24.08460 10.96329 3.187263       15.56520 
1 1 1 14 8  -8  o 18.01433 8.343719 -8.090593      14.59821 -6.528374      18.66746 -10.55000      23.42229 20.88053 9.585899 22.42271 10.44777 -1.542181      14.17904 
1 1 1 14 8  -7  o 33.27867 10.11552 27.36769       15.00320 25.06130       19.34374 30.85000       23.76886 32.00101 11.53944 34.62888 12.74493 -2.627876      17.19279 
1 1 1 14 8  -6  o 25.61005 9.957764 12.62957       14.98571 20.47581       19.24565 0.5462000      23.88339 30.10649 11.39010 25.22252 11.28019 4.883968       16.03050 
1 1 1 14 8  -5  o 18.98258 8.806213 -9.443770      16.35943 -29.81000      23.85983 8.625000       22.47379 19.66542 9.534683 26.94381 11.50900 -7.278389      14.94548 
1 1 1 14 8  -4  o 95.34471 5.323768 194.6761       20.70199 203.2000       29.87296 186.8000       28.71540 95.15120 7.733876 91.18060 7.764895 3.970596       10.95931 
1 1 1 14 8  -3  o 23.63643 9.993136 5.631805       16.64721 -3.790000      24.43733 13.79000       22.73965 24.65650 11.18346 28.73808 11.87871 -4.081583      16.31482 
1 1 1 14 8  -2  o 38.31557 9.805801 35.53998       15.44693 55.45904       20.33752 8.382000       23.74720 47.45382 10.72028 27.46620 11.78347 19.98761       15.93030 
1 1 1 14 8  -1  o 50.48663 9.854198 60.91449       19.64002 69.17000       32.13062 55.99000       24.81576 49.47684 14.75120 46.15669 12.72212 3.320148       19.47948 
1 1 1 14 8  0   o 25.28201 10.82202 5.908200       19.94709 5.908200       19.94709 0.000000       0.000000 25.28201 10.82202 ?        ?        ?              ?        
1 1 1 14 8  1   o 42.35370 14.94958 50.56000       32.29502 50.56000       32.29502 0.000000       0.000000 42.35370 14.94958 ?        ?        ?              ?        
1 1 1 14 8  2   o 28.68159 12.77695 4.228000       30.32819 4.228000       30.32819 0.000000       0.000000 28.68159 12.77695 ?        ?        ?              ?        
1 1 1 14 8  3   o 30.88478 11.37043 21.85543       18.92093 17.58000       31.20972 24.34000       23.79173 32.02504 13.61719 32.62421 12.58441 -0.5991707     18.54172 
1 1 1 14 8  4   o 71.58090 7.064884 113.7009       20.43775 102.0000       32.57088 121.3000       26.24840 62.20618 13.19642 72.22172 9.075786 -10.01554      16.01610 
1 1 1 14 8  5   o 25.85807 10.04529 12.80576       15.23981 33.33184       20.83960 -10.79000      22.34361 36.08071 12.03290 22.09491 10.26429 13.98580       15.81601 
1 1 1 14 8  6   o 24.03636 9.761848 8.989203       15.01980 16.61038       20.24554 -0.3402000     22.39986 28.78338 11.45634 24.37878 10.91198 4.404600       15.82147 
1 1 1 14 8  7   o 59.64773 6.843470 79.33902       16.41218 51.26015       21.87502 115.5000       24.82440 44.22657 11.84339 70.32011 8.814468 -26.09353      14.76349 
1 1 1 14 8  8   o 54.72409 7.361709 67.95105       16.07808 48.23838       21.65034 92.19000       24.00760 42.61719 11.93481 61.68924 9.834102 -19.07205      15.46445 
1 1 1 14 8  9   o 47.02027 8.504598 52.23083       15.77173 47.69355       21.39595 57.63000       23.33979 42.21476 11.87964 46.28128 12.16013 -4.066521      16.99984 
1 1 1 14 8  10  o 29.67378 10.33371 21.52215       15.39697 20.36169       20.66580 22.97000       23.08344 29.74962 11.65706 31.05684 12.27392 -1.307222      16.92738 
1 1 1 14 8  11  o 23.43070 9.786735 7.876487       15.66661 2.579335       20.63808 15.08000       24.06691 23.82649 10.58141 28.44784 12.02082 -4.621346      16.01457 
1 1 1 14 8  12  o 28.36452 10.35083 19.46439       15.62587 9.173296       20.61234 33.37000       23.96026 25.57037 10.97429 34.50266 12.77875 -8.932287      16.84433 
1 1 1 14 8  13  o 45.81980 8.959758 51.37255       16.20765 29.60624       21.23176 81.77000       25.09066 32.97722 12.06059 55.43203 11.43391 -22.45481      16.61903 
1 1 1 14 8  14  o 44.81096 9.316802 49.95394       16.53708 38.22998       21.33955 67.58000       26.16531 36.69908 12.17462 48.25706 12.96616 -11.55798      17.78602 
1 1 1 14 8  15  o 31.87760 10.60180 26.61220       16.17963 20.86250       20.66936 35.71000       25.99996 29.37953 11.61334 34.96276 13.23618 -5.583225      17.60869 
1 1 1 14 8  16  o 32.06737 10.73256 27.13304       16.57665 34.11358       21.08287 15.83000       26.82767 34.81401 12.09404 28.80217 12.44202 6.011843       17.35136 
1 1 1 14 8  17  o 32.31069 11.90573 28.60858       20.75194 30.69000       30.85787 26.89000       28.03951 33.06173 13.76655 31.85866 13.18163 1.203074       19.05973 
1 1 1 14 8  18  o 25.17827 10.94914 8.930785       21.05846 8.930785       21.05846 0.000000       0.000000 25.17827 10.94914 ?        ?        ?              ?        
1 1 1 14 8  19  o 22.43297 10.25200 -0.6081213     21.03067 -0.6081213     21.03067 0.000000       0.000000 22.43297 10.25200 ?        ?        ?              ?        
1 1 1 14 8  20  o 19.84818 9.482999 -13.85848      21.65315 -13.85848      21.65315 0.000000       0.000000 19.84818 9.482999 ?        ?        ?              ?        
1 1 1 14 8  21  o 18.13852 8.839950 -22.70751      21.23674 -22.70751      21.23674 0.000000       0.000000 18.13852 8.839950 ?        ?        ?              ?        
1 1 1 14 8  22  o 27.88843 11.59603 21.20290       21.85002 21.20290       21.85002 0.000000       0.000000 27.88843 11.59603 ?        ?        ?              ?        
1 1 1 14 9  -19 o 22.53694 11.07532 -26.59000      35.48042 -26.59000      35.48042 0.000000       0.000000 22.53694 11.07532 ?        ?        ?              ?        
1 1 1 14 9  -18 o 26.14016 12.39457 2.317000       35.59129 2.317000       35.59129 0.000000       0.000000 26.14016 12.39457 ?        ?        ?              ?        
1 1 1 14 9  -17 o 49.66148 9.582653 64.52412       18.78036 56.03313       22.90976 81.92000       32.79175 42.54079 12.39683 47.13754 15.05442 -4.596748      19.50172 
1 1 1 14 9  -16 o 19.40646 9.038972 -6.545771      17.50552 5.424833       21.67346 -29.01000      29.69040 23.98801 10.73558 21.06637 10.30679 2.921638       14.88229 
1 1 1 14 9  -15 o 54.67404 8.548625 73.22506       18.51189 64.13873       22.63274 91.59000       32.17643 47.65965 11.68811 53.14333 14.42161 -5.483685      18.56326 
1 1 1 14 9  -14 o 48.73212 9.526048 60.03472       18.32710 50.62261       22.62634 77.99000       31.25123 41.58307 12.37407 48.97818 14.53454 -7.395107      19.08850 
1 1 1 14 9  -13 o 22.30993 9.823950 3.233277       17.42706 -19.75496      21.51665 47.07000       29.71260 19.29123 9.278860 38.16441 14.21218 -18.87317      16.97302 
1 1 1 14 9  -12 o 55.46372 8.242015 73.31181       18.15013 67.71577       22.45798 83.85000       30.81866 50.37299 11.17996 52.36183 14.07326 -1.988838      17.97355 
1 1 1 14 9  -11 o 20.34906 9.270126 -3.364877      17.02012 -2.902637      21.19129 -4.205000      28.56898 22.45559 10.27320 24.95580 11.59780 -2.500212      15.49347 
1 1 1 14 9  -10 o 35.95153 10.79380 34.53701       17.15778 30.40402       21.57413 41.65000       28.30270 33.20467 12.15526 36.84070 13.83992 -3.636024      18.41993 
1 1 1 14 9  -9  o 27.23562 10.62257 16.85889       17.09521 0.1822121      21.62004 44.68000       27.92473 23.36762 10.56686 37.99035 13.84120 -14.62272      17.41371 
1 1 1 14 9  -8  o 30.78675 10.93623 24.59392       17.30589 21.14027       22.77755 29.31000       26.61698 29.76248 12.04542 32.77479 13.10563 -3.012314      17.80027 
1 1 1 14 9  -7  o 21.20276 9.771291 -5.502388      19.65779 17.53000       31.20285 -20.66000      25.31280 30.12241 13.20853 21.04910 10.10878 9.073307       16.63288 
1 1 1 14 9  -6  o 45.47491 11.18965 55.17473       20.69156 3.787000       31.08896 96.04000       27.72386 27.30605 12.47361 59.90720 11.72181 -32.60115      17.11701 
1 1 1 14 9  -5  o 29.05618 11.32916 20.04718       19.44038 31.40000       31.04022 12.72000       24.93684 33.77988 13.91214 27.78167 11.99835 5.998209       18.37139 
1 1 1 14 9  -4  o 21.20650 9.406800 0.7222960      16.26268 -6.397136      21.36486 10.53000       25.07616 21.90012 10.12609 27.28581 11.90558 -5.385691      15.62948 
1 1 1 14 9  -3  o 59.31004 7.162369 80.38050       17.04257 76.42193       21.64996 86.83000       27.63445 55.34401 9.917784 56.37051 12.31728 -1.026497      15.81385 
1 1 1 14 9  -2  o 21.05939 9.324927 0.7192605      15.91092 -4.075934      20.68591 7.666000       24.89786 22.14759 10.13894 26.57937 11.72162 -4.431776      15.49821 
1 1 1 14 9  -1  o 50.41192 8.499381 60.57274       16.92134 51.10068       21.68791 75.31000       27.05228 43.22234 11.88552 51.80915 12.82189 -8.586807      17.48331 
1 1 1 14 9  0   f 25.45071 10.21318 12.54695       16.22405 16.45740       21.07113 6.853000       25.42616 28.16917 11.51635 26.57562 11.77667 1.593542       16.47168 
1 1 1 14 9  1   o 25.36088 10.21015 12.31339       16.27045 8.695863       20.84772 17.95000       26.02325 25.59552 11.01165 29.63300 12.50963 -4.037483      16.66575 
1 1 1 14 9  2   o 31.47111 11.47923 25.53158       19.21532 5.531000       29.77292 39.81000       25.15593 27.49133 12.41889 37.05585 13.18305 -9.564518      18.11137 
1 1 1 14 9  3   o 23.78489 10.46177 4.066987       19.71249 19.23000       30.81081 -6.441000      25.64898 30.73365 13.30508 23.72983 11.01472 7.003822       17.27279 
1 1 1 14 9  4   o 31.33917 11.68733 25.35908       20.10737 -12.80000      31.23269 52.37000       26.27726 24.62941 11.65836 41.86435 13.48690 -17.23494      17.82733 
1 1 1 14 9  5   o 76.79248 7.152017 134.5008       22.23052 101.1000       33.25010 161.5000       29.89437 58.40134 14.07148 81.74525 9.084289 -23.34391      16.74905 
1 1 1 14 9  6   o 23.52924 9.880691 8.057653       16.09939 6.750503       20.98182 9.929000       25.10483 24.92178 10.88191 27.04432 11.85359 -2.122536      16.09110 
1 1 1 14 9  7   o 30.05364 10.70334 23.01522       16.58655 23.17506       21.49566 22.78000       26.07622 30.38931 11.89438 30.74360 12.71523 -0.3542938     17.41130 
1 1 1 14 9  8   o 26.90360 11.30178 13.49029       21.07529 13.49029       21.07529 0.000000       0.000000 26.90360 11.30178 ?        ?        ?              ?        
1 1 1 14 9  9   o 59.15133 9.727527 87.34704       22.74258 87.34704       22.74258 0.000000       0.000000 59.15133 9.727527 ?        ?        ?              ?        
1 1 1 14 9  10  o 23.28798 10.48071 0.9086235      20.97736 0.9086235      20.97736 0.000000       0.000000 23.28798 10.48071 ?        ?        ?              ?        
1 1 1 14 9  11  o 22.89631 9.879222 5.549198       16.87515 1.082896       21.01387 13.66000       28.31808 23.33249 10.49621 28.59005 12.55842 -5.257559      16.36718 
1 1 1 14 9  12  o 18.21733 8.575887 -10.92949      16.47819 -3.117057      21.07103 -23.23000      26.43954 22.32030 10.22359 21.08645 10.17825 1.233852       14.42631 
1 1 1 14 9  13  o 23.11967 10.45782 0.3804651      21.19464 0.3804651      21.19464 0.000000       0.000000 23.11967 10.45782 ?        ?        ?              ?        
1 1 1 14 9  14  o 41.67968 12.16197 50.25286       22.03701 50.25286       22.03701 0.000000       0.000000 41.67968 12.16197 ?        ?        ?              ?        
1 1 1 14 9  15  o 22.93517 10.43386 0.4896869      21.46827 0.4896869      21.46827 0.000000       0.000000 22.93517 10.43386 ?        ?        ?              ?        
1 1 1 14 9  16  o 33.32365 12.31118 33.73075       22.21428 33.73075       22.21428 0.000000       0.000000 33.32365 12.31118 ?        ?        ?              ?        
1 1 1 14 9  17  o 21.15292 10.36891 -28.68000      30.48685 -28.68000      30.48685 0.000000       0.000000 21.15292 10.36891 ?        ?        ?              ?        
1 1 1 14 9  18  o 28.56036 11.74751 22.71307       22.09544 22.71307       22.09544 0.000000       0.000000 28.56036 11.74751 ?        ?        ?              ?        
1 1 1 14 9  19  o 26.73390 12.20561 12.97000       29.71478 12.97000       29.71478 0.000000       0.000000 26.73390 12.20561 ?        ?        ?              ?        
1 1 1 14 10 -15 o 32.38993 14.20769 39.42000       36.12986 39.42000       36.12986 0.000000       0.000000 32.38993 14.20769 ?        ?        ?              ?        
1 1 1 14 10 -14 o 34.69939 14.70670 48.60000       36.20370 48.60000       36.20370 0.000000       0.000000 34.69939 14.70670 ?        ?        ?              ?        
1 1 1 14 10 -13 o 31.06968 12.25120 29.53827       22.95104 29.53827       22.95104 0.000000       0.000000 31.06968 12.25120 ?        ?        ?              ?        
1 1 1 14 10 -12 o 22.72102 10.03602 5.462270       18.32104 14.46899       22.24879 -13.51000      32.29109 26.37227 11.36105 23.60765 11.35809 2.764627       16.06486 
1 1 1 14 10 -11 o 45.50838 10.05124 54.88628       18.22923 54.00071       22.47292 56.59000       31.17078 42.40900 12.25460 39.57212 14.58976 2.836880       19.05351 
1 1 1 14 10 -10 o 35.87053 11.14987 36.40363       18.10318 36.21070       22.36719 36.77000       30.82396 34.60229 12.41720 33.78804 13.88407 0.8142509      18.62671 
1 1 1 14 10 -9  o 29.50649 11.03873 22.91245       17.96602 -0.2930262     22.00564 69.30000       31.11283 23.03410 10.51154 45.15467 14.68598 -22.12057      18.06019 
1 1 1 14 10 -8  o 42.88404 10.19338 48.19727       17.63482 45.67944       22.00261 52.72000       29.48910 39.48236 12.29531 39.88253 14.26408 -0.4001732     18.83185 
1 1 1 14 10 -7  o 44.93389 9.848156 51.74526       17.61855 54.15734       22.02586 47.46000       29.35790 43.74990 11.95663 38.24188 14.14846 5.508022       18.52403 
1 1 1 14 10 -6  o 24.52074 10.31080 9.863512       17.56808 -4.476713      22.00985 35.04000       29.16330 22.35166 10.31459 34.27613 13.71406 -11.92447      17.16002 
1 1 1 14 10 -5  o 23.06884 9.958236 5.914580       17.16158 8.037338       21.66611 2.340000       28.11532 25.31859 11.05649 25.94877 11.85682 -0.6301765     16.21204 
1 1 1 14 10 -4  o 38.55873 10.87477 39.98780       17.90888 28.93217       22.21696 60.50000       30.26210 32.46769 12.24797 43.13514 14.50196 -10.66745      18.98209 
1 1 1 14 10 -3  o 38.59946 10.69747 39.70616       17.49234 39.82222       22.06842 39.51000       28.69061 37.15885 12.38234 35.94130 13.83108 1.217545       18.56398 
1 1 1 14 10 -2  o 52.15583 8.859518 66.26215       18.24454 50.29685       22.66349 95.66000       30.75361 41.86861 12.36542 57.34403 13.34823 -15.47541      18.19558 
1 1 1 14 10 -1  o 48.10601 11.58955 63.04029       22.55721 52.18000       31.38169 74.65000       32.44637 39.85006 14.64816 47.77131 14.93920 -7.921249      20.92243 
1 1 1 14 10 0   o 34.90730 12.33219 34.64321       21.98032 23.78000       32.36777 43.94000       29.94333 31.59262 13.65699 37.31876 14.18680 -5.726149      19.69210 
1 1 1 14 10 1   o 31.78832 11.07112 26.80864       17.67302 25.21216       22.01801 29.70000       29.63110 31.08154 12.07435 32.91064 13.57731 -1.829102      18.16957 
1 1 1 14 10 2   o 36.43904 12.51137 38.42374       22.53770 38.42374       22.53770 0.000000       0.000000 36.43904 12.51137 ?        ?        ?              ?        
1 1 1 14 10 3   o 19.97212 9.207694 -5.760039      17.47945 0.7792147      21.97298 -17.03000      28.84604 23.60203 10.66473 22.92974 10.95256 0.6722984      15.28709 
1 1 1 14 10 4   o 33.24587 11.10747 29.84243       17.75607 27.09800       22.18807 34.73000       29.61012 31.75378 12.17761 34.31875 13.78866 -2.564976      18.39623 
1 1 1 14 10 5   o 28.06003 10.81742 18.85748       17.57209 12.65273       21.90786 30.05000       29.42400 26.72506 11.38778 32.87620 13.54306 -6.151134      17.69452 
1 1 1 14 10 6   o 43.79823 10.10260 49.63521       17.74885 47.08500       22.06521 54.31000       29.87453 40.39458 12.26506 40.72929 14.37824 -0.3347092     18.89882 
1 1 1 14 10 7   o 43.18161 10.18292 48.59694       17.71042 27.10605       22.24410 85.81000       29.27085 31.56800 12.17054 53.77951 13.35355 -22.21152      18.06763 
1 1 1 14 10 8   o 60.33052 9.865409 92.52711       23.52965 92.52711       23.52965 0.000000       0.000000 60.33052 9.865409 ?        ?        ?              ?        
1 1 1 14 10 9   o 19.21674 9.267229 -20.06232      21.79668 -20.06232      21.79668 0.000000       0.000000 19.21674 9.267229 ?        ?        ?              ?        
1 1 1 14 10 10  o 38.68023 12.79643 46.45591       23.57954 46.45591       23.57954 0.000000       0.000000 38.68023 12.79643 ?        ?        ?              ?        
1 1 1 14 10 11  o 32.35706 13.84787 32.75000       32.64959 32.75000       32.64959 0.000000       0.000000 32.35706 13.84787 ?        ?        ?              ?        
1 1 1 14 10 12  o 31.90308 13.84935 32.72000       33.57024 32.72000       33.57024 0.000000       0.000000 31.90308 13.84935 ?        ?        ?              ?        
1 1 1 14 10 13  o 28.89432 13.06845 20.03000       33.08634 20.03000       33.08634 0.000000       0.000000 28.89432 13.06845 ?        ?        ?              ?        
1 1 1 14 10 14  o 34.10970 12.59567 38.28925       23.24806 38.28925       23.24806 0.000000       0.000000 34.10970 12.59567 ?        ?        ?              ?        
1 1 1 14 10 15  o 23.23144 10.68504 2.406529       23.34325 2.406529       23.34325 0.000000       0.000000 23.23144 10.68504 ?        ?        ?              ?        
1 1 1 14 11 -9  o 32.72396 12.56917 35.36135       23.66296 35.36135       23.66296 0.000000       0.000000 32.72396 12.56917 ?        ?        ?              ?        
1 1 1 14 11 -8  o 23.49071 10.67367 4.532485       22.38210 4.532485       22.38210 0.000000       0.000000 23.49071 10.67367 ?        ?        ?              ?        
1 1 1 14 11 -7  o 19.84192 9.568782 -16.93440      23.23918 -16.93440      23.23918 0.000000       0.000000 19.84192 9.568782 ?        ?        ?              ?        
1 1 1 14 11 -6  o 34.32357 12.60370 38.37651       23.22340 38.37651       23.22340 0.000000       0.000000 34.32357 12.60370 ?        ?        ?              ?        
1 1 1 14 11 -5  o 29.87754 12.21147 26.05141       23.68362 26.05141       23.68362 0.000000       0.000000 29.87754 12.21147 ?        ?        ?              ?        
1 1 1 14 11 -4  o 21.57212 9.726902 1.768286       18.16633 -8.951880      22.78789 20.46000       30.09040 21.09967 9.978837 28.83022 12.79167 -7.730549      16.22357 
1 1 1 14 11 -3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14 11 -2  o 24.79951 10.56967 11.71070       18.88065 6.809330       23.18923 21.35000       32.51999 24.56997 11.04174 29.37964 13.14931 -4.809679      17.17045 
1 1 1 14 11 -1  o 21.69416 10.19660 -6.882019      23.13416 -6.882019      23.13416 0.000000       0.000000 21.69416 10.19660 ?        ?        ?              ?        
1 1 1 14 11 0   o 51.07464 9.687006 68.13825       19.51800 41.72907       24.29567 116.2000       32.77564 35.80197 12.92944 61.19038 13.44865 -25.38842      18.65574 
1 1 1 14 11 1   o 29.44348 12.11098 23.97306       23.48445 23.97306       23.48445 0.000000       0.000000 29.44348 12.11098 ?        ?        ?              ?        
1 1 1 14 11 2   o 26.89336 11.59337 15.74930       23.19837 15.74930       23.19837 0.000000       0.000000 26.89336 11.59337 ?        ?        ?              ?        
1 1 1 14 11 3   o 36.88511 12.81460 44.22071       23.67020 44.22071       23.67020 0.000000       0.000000 36.88511 12.81460 ?        ?        ?              ?        
1 1 1 14 11 4   o 30.11955 12.24447 26.52972       23.65821 26.52972       23.65821 0.000000       0.000000 30.11955 12.24447 ?        ?        ?              ?        
1 1 1 14 11 5   o 22.31407 10.38795 -2.805335      23.07383 -2.805335      23.07383 0.000000       0.000000 22.31407 10.38795 ?        ?        ?              ?        
1 1 1 14 11 6   o 60.19573 10.37113 98.08979       24.64070 98.08979       24.64070 0.000000       0.000000 60.19573 10.37113 ?        ?        ?              ?        
1 1 1 14 11 7   o 21.54216 10.12917 -5.898464      22.86890 -5.898464      22.86890 0.000000       0.000000 21.54216 10.12917 ?        ?        ?              ?        
1 1 1 14 11 8   o 23.03402 10.64363 0.8303136      23.54978 0.8303136      23.54978 0.000000       0.000000 23.03402 10.64363 ?        ?        ?              ?        
1 1 1 14 11 9   o 23.92867 10.87301 5.707238       23.22811 5.707238       23.22811 0.000000       0.000000 23.92867 10.87301 ?        ?        ?              ?        
1 1 1 15 0  -32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 0  -31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 0  -30 o 42.81731 17.61832 65.80000       30.55502 65.80000       30.55502 65.80000       30.55502 42.81731 17.61832 42.81731 17.61832 0.000000       0.000000 
1 1 1 15 0  -29 o 23.30182 14.47230 17.49000       27.68687 17.49000       27.68687 17.49000       27.68687 23.30182 14.47230 23.30182 14.47230 0.000000       0.000000 
1 1 1 15 0  -28 o 17.31475 11.82025 -7.156000      26.11401 -7.156000      26.11401 -7.156000      26.11401 17.31475 11.82025 17.31475 11.82025 0.000000       0.000000 
1 1 1 15 0  -27 o 18.05091 12.19216 -3.920000      26.30856 -3.920000      26.30856 -3.920000      26.30856 18.05091 12.19216 18.05091 12.19216 0.000000       0.000000 
1 1 1 15 0  -26 o 20.66806 13.36564 6.869000       26.53818 6.869000       26.53818 6.869000       26.53818 20.66806 13.36564 20.66806 13.36564 0.000000       0.000000 
1 1 1 15 0  -25 o 20.62630 13.35721 5.591000       26.62909 5.591000       26.62909 5.591000       26.62909 20.62630 13.35721 20.62630 13.35721 0.000000       0.000000 
1 1 1 15 0  -24 o 18.75418 12.60783 -5.151000      27.51310 -5.151000      27.51310 -5.151000      27.51310 18.75418 12.60783 18.75418 12.60783 0.000000       0.000000 
1 1 1 15 0  -23 f 25.87362 15.40423 20.90000       28.62497 20.90000       28.62497 20.90000       28.62497 25.87362 15.40423 25.87362 15.40423 0.000000       0.000000 
1 1 1 15 0  -22 o 23.91251 14.93318 12.91000       29.89141 12.91000       29.89141 12.91000       29.89141 23.91251 14.93318 23.91251 14.93318 0.000000       0.000000 
1 1 1 15 0  -21 o 16.84012 11.81943 -27.95000      31.12657 -27.95000      31.12657 -27.95000      31.12657 16.84012 11.81943 16.84012 11.81943 0.000000       0.000000 
1 1 1 15 0  -20 o 33.98951 18.00999 40.30000       33.66303 40.30000       33.66303 40.30000       33.66303 33.98951 18.00999 33.98951 18.00999 0.000000       0.000000 
1 1 1 15 0  -19 o 80.97415 11.75817 149.1000       36.59250 149.1000       36.59250 149.1000       36.59250 80.97415 11.75817 80.97415 11.75817 0.000000       0.000000 
1 1 1 15 0  -18 o 38.46503 18.97318 50.20000       35.76101 50.20000       35.76101 50.20000       35.76101 38.46503 18.97318 38.46503 18.97318 0.000000       0.000000 
1 1 1 15 0  -17 o 32.42287 18.30676 33.71000       37.19057 33.71000       37.19057 33.71000       37.19057 32.42287 18.30676 32.42287 18.30676 0.000000       0.000000 
1 1 1 15 0  -16 o 30.07474 17.89044 24.91000       38.55036 24.91000       38.55036 24.91000       38.55036 30.07474 17.89044 30.07474 17.89044 0.000000       0.000000 
1 1 1 15 0  -15 o 36.32494 19.35818 43.46000       39.07996 43.46000       39.07996 43.46000       39.07996 36.32494 19.35818 36.32494 19.35818 0.000000       0.000000 
1 1 1 15 0  -14 o 21.84302 14.78080 -15.44000      39.01812 -15.44000      39.01812 -15.44000      39.01812 21.84302 14.78080 21.84302 14.78080 0.000000       0.000000 
1 1 1 15 0  -13 o 167.5699 7.719524 585.6000       52.71082 585.6000       52.71082 585.6000       52.71082 167.5699 7.719524 167.5699 7.719524 0.000000       0.000000 
1 1 1 15 0  -12 o 77.47988 14.82976 139.7000       42.05814 139.7000       42.05814 139.7000       42.05814 77.47988 14.82976 77.47988 14.82976 0.000000       0.000000 
1 1 1 15 0  -11 o 37.81265 20.04394 45.79000       41.70985 45.79000       41.70985 45.79000       41.70985 37.81265 20.04394 37.81265 20.04394 0.000000       0.000000 
1 1 1 15 0  -10 o 44.32744 20.59472 62.11000       41.43321 62.11000       41.43321 62.11000       41.43321 44.32744 20.59472 44.32744 20.59472 0.000000       0.000000 
1 1 1 15 0  -9  o 184.7277 7.551736 708.0000       56.90451 708.0000       56.90451 708.0000       56.90451 184.7277 7.551736 184.7277 7.551736 0.000000       0.000000 
1 1 1 15 0  -8  o 35.48734 19.48931 38.52000       40.78112 38.52000       40.78112 38.52000       40.78112 35.48734 19.48931 35.48734 19.48931 0.000000       0.000000 
1 1 1 15 0  -7  o 128.6882 9.381656 348.2000       48.81939 348.2000       48.81939 348.2000       48.81939 128.6882 9.381656 128.6882 9.381656 0.000000       0.000000 
1 1 1 15 0  -6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 0  -5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 0  -4  o 68.48573 18.64262 117.8000       45.18591 117.8000       45.18591 117.8000       45.18591 68.48573 18.64262 68.48573 18.64262 0.000000       0.000000 
1 1 1 15 0  -3  o 31.75254 18.73050 25.45000       41.61864 25.45000       41.61864 25.45000       41.61864 31.75254 18.73050 31.75254 18.73050 0.000000       0.000000 
1 1 1 15 0  -2  f 24.42264 16.11145 -6.948000      41.44999 -6.948000      41.44999 -6.948000      41.44999 24.42264 16.11145 24.42264 16.11145 0.000000       0.000000 
1 1 1 15 0  -1  o 99.16667 11.64101 212.2000       45.56489 212.2000       45.56489 212.2000       45.56489 99.16667 11.64101 99.16667 11.64101 0.000000       0.000000 
1 1 1 15 0  0   o 30.57658 18.43645 20.71000       42.03043 20.71000       42.03043 20.71000       42.03043 30.57658 18.43645 30.57658 18.43645 0.000000       0.000000 
1 1 1 15 0  1   o 198.2874 7.462173 813.1000       60.39267 813.1000       60.39267 813.1000       60.39267 198.2874 7.462173 198.2874 7.462173 0.000000       0.000000 
1 1 1 15 0  2   f 186.0295 7.594424 716.4000       57.63010 716.4000       57.63010 716.4000       57.63010 186.0295 7.594424 186.0295 7.594424 0.000000       0.000000 
1 1 1 15 0  3   o 63.13783 19.14661 103.7000       43.18714 103.7000       43.18714 103.7000       43.18714 63.13783 19.14661 63.13783 19.14661 0.000000       0.000000 
1 1 1 15 0  4   o 27.91430 17.35809 12.25000       39.95047 12.25000       39.95047 12.25000       39.95047 27.91430 17.35809 27.91430 17.35809 0.000000       0.000000 
1 1 1 15 0  5   o 115.8839 9.464439 283.2000       44.19799 283.2000       44.19799 283.2000       44.19799 115.8839 9.464439 115.8839 9.464439 0.000000       0.000000 
1 1 1 15 0  6   o 30.48311 17.83967 24.28000       37.24474 24.28000       37.24474 24.28000       37.24474 30.48311 17.83967 30.48311 17.83967 0.000000       0.000000 
1 1 1 15 0  7   o 158.9422 7.398033 524.2000       47.90976 524.2000       47.90976 524.2000       47.90976 158.9422 7.398033 158.9422 7.398033 0.000000       0.000000 
1 1 1 15 0  8   o 20.15704 13.74457 -19.20000      35.08883 -19.20000      35.08883 -19.20000      35.08883 20.15704 13.74457 20.15704 13.74457 0.000000       0.000000 
1 1 1 15 0  9   o 32.15172 17.87578 30.94000       34.78679 30.94000       34.78679 30.94000       34.78679 32.15172 17.87578 32.15172 17.87578 0.000000       0.000000 
1 1 1 15 0  10  o 66.39443 14.62674 104.7000       34.79063 104.7000       34.79063 104.7000       34.79063 66.39443 14.62674 66.39443 14.62674 0.000000       0.000000 
1 1 1 15 0  11  o 19.90473 13.43214 -12.83000      31.79287 -12.83000      31.79287 -12.83000      31.79287 19.90473 13.43214 19.90473 13.43214 0.000000       0.000000 
1 1 1 15 0  12  o 220.5951 6.534873 1007.000       58.91061 1007.000       58.91061 1007.000       58.91061 220.5951 6.534873 220.5951 6.534873 0.000000       0.000000 
1 1 1 15 0  13  o 78.71593 10.56439 136.2000       32.33094 136.2000       32.33094 136.2000       32.33094 78.71593 10.56439 78.71593 10.56439 0.000000       0.000000 
1 1 1 15 0  14  o 26.13976 15.62236 16.93000       29.65561 16.93000       29.65561 16.93000       29.65561 26.13976 15.62236 26.13976 15.62236 0.000000       0.000000 
1 1 1 15 0  15  o 156.5154 6.618806 509.8000       42.24613 509.8000       42.24613 509.8000       42.24613 156.5154 6.618806 156.5154 6.618806 0.000000       0.000000 
1 1 1 15 0  16  o 42.76974 17.09678 54.75000       29.01831 54.75000       29.01831 54.75000       29.01831 42.76974 17.09678 42.76974 17.09678 0.000000       0.000000 
1 1 1 15 0  17  o 27.81305 15.69237 23.78000       27.30037 23.78000       27.30037 23.78000       27.30037 27.81305 15.69237 27.81305 15.69237 0.000000       0.000000 
1 1 1 15 0  18  o 91.97361 8.237656 181.4000       30.42381 181.4000       30.42381 181.4000       30.42381 91.97361 8.237656 91.97361 8.237656 0.000000       0.000000 
1 1 1 15 0  19  o 17.75267 11.96670 -8.367000      25.10154 -8.367000      25.10154 -8.367000      25.10154 17.75267 11.96670 17.75267 11.96670 0.000000       0.000000 
1 1 1 15 0  20  o 51.41666 14.42905 69.25000       26.29146 69.25000       26.29146 69.25000       26.29146 51.41666 14.42905 51.41666 14.42905 0.000000       0.000000 
1 1 1 15 0  21  o 49.78348 14.48446 66.13000       25.62754 66.13000       25.62754 66.13000       25.62754 49.78348 14.48446 49.78348 14.48446 0.000000       0.000000 
1 1 1 15 0  22  o 65.14000 6.646508 91.63778       17.27014 91.63778       17.27014 91.63778       17.27014 65.14000 6.646508 65.14000 6.646508 0.000000       0.000000 
1 1 1 15 0  23  f 38.99594 11.96662 40.93730       16.70259 40.93730       16.70259 40.93730       16.70259 38.99594 11.96662 38.99594 11.96662 0.000000       0.000000 
1 1 1 15 0  24  o 59.96519 11.05355 85.86000       24.42399 85.86000       24.42399 85.86000       24.42399 59.96519 11.05355 59.96519 11.05355 0.000000       0.000000 
1 1 1 15 0  25  o 60.40031 11.21882 88.08000       24.93504 88.08000       24.93504 88.08000       24.93504 60.40031 11.21882 60.40031 11.21882 0.000000       0.000000 
1 1 1 15 0  26  o 17.35455 10.90763 5.865052       16.22149 5.865052       16.22149 5.865052       16.22149 17.35455 10.90763 17.35455 10.90763 0.000000       0.000000 
1 1 1 15 0  27  o 23.99750 12.62625 20.46837       16.45224 20.46837       16.45224 20.46837       16.45224 23.99750 12.62625 23.99750 12.62625 0.000000       0.000000 
1 1 1 15 0  28  o 14.06062 9.574626 -6.123071      16.90598 -6.123071      16.90598 -6.123071      16.90598 14.06062 9.574626 14.06062 9.574626 0.000000       0.000000 
1 1 1 15 0  29  o 24.77766 13.08381 22.34375       17.71661 22.34375       17.71661 22.34375       17.71661 24.77766 13.08381 24.77766 13.08381 0.000000       0.000000 
1 1 1 15 0  30  o 13.82871 9.485337 -7.696499      17.26358 -7.696499      17.26358 -7.696499      17.26358 13.82871 9.485337 13.82871 9.485337 0.000000       0.000000 
1 1 1 15 0  31  o 16.74035 10.85844 3.861717       17.69587 3.861717       17.69587 3.861717       17.69587 16.74035 10.85844 16.74035 10.85844 0.000000       0.000000 
1 1 1 15 0  32  o 17.00717 10.97643 5.244841       17.78096 5.244841       17.78096 5.244841       17.78096 17.00717 10.97643 17.00717 10.97643 0.000000       0.000000 
1 1 1 15 1  -31 o 25.78624 11.08104 13.97770       21.06556 31.30000       29.74697 -3.448000      29.83562 31.23257 13.28775 24.16447 11.42526 7.068098       17.52429 
1 1 1 15 1  -30 o 26.24644 11.06475 14.40168       20.31381 31.94000       28.78731 -2.993000      28.66919 32.26628 13.35382 24.42183 11.43793 7.844450       17.58268 
1 1 1 15 1  -29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 1  -28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 1  -27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 1  -26 o 23.49747 10.27464 4.595916       18.76358 17.31000       26.43743 -8.309000      26.63510 29.36773 12.51167 23.69718 11.07450 5.670551       16.70887 
1 1 1 15 1  -25 o 24.46580 10.52259 6.506845       19.02653 15.86000       27.02685 -2.683000      26.78986 29.58978 12.62965 25.17142 11.52886 4.418354       17.10037 
1 1 1 15 1  -24 o 20.92696 9.661806 -8.238872      19.34587 -23.52000      27.12358 7.585000       27.60106 22.02847 10.54864 28.13100 12.37616 -6.102533      16.26171 
1 1 1 15 1  -23 o 33.88520 11.78289 28.12400       20.01444 15.15000       28.10158 41.48000       28.51227 30.72013 12.98562 39.32578 14.03022 -8.605654      19.11736 
1 1 1 15 1  -22 o 47.61407 11.21599 55.74652       21.50492 46.75000       31.82051 63.31000       29.17632 41.70220 14.82782 48.66655 13.93241 -6.964352      20.34641 
1 1 1 15 1  -21 o 37.63759 12.35921 34.80205       22.01017 33.24000       32.74128 36.09000       29.73027 37.74261 14.70642 38.39446 14.23184 -0.6518555     20.46519 
1 1 1 15 1  -20 o 85.69948 7.243447 159.8584       25.18058 211.6000       38.50595 121.2000       33.28360 96.31039 9.905107 71.17054 11.83662 25.13985       15.43427 
1 1 1 15 1  -19 o 71.10435 8.845560 112.6575       25.19882 118.1000       37.78977 108.3000       33.81382 69.05292 13.84733 66.89549 12.81082 2.157425       18.86440 
1 1 1 15 1  -18 f 32.80861 12.61056 20.51106       23.83067 29.28000       36.45856 13.97000       31.48838 38.54646 15.36339 33.10210 13.85402 5.444351       20.68738 
1 1 1 15 1  -17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 1  -16 o 32.64074 12.60413 18.84889       23.88467 -4.015000      37.90126 33.91000       30.76147 31.88072 14.23732 39.66357 14.51530 -7.782846      20.33212 
1 1 1 15 1  -15 o 66.93500 9.647559 98.76672       25.67957 86.50000       39.06588 108.1000       34.07613 59.33051 15.79969 68.46763 12.61943 -9.137119      20.22079 
1 1 1 15 1  -14 o 63.71794 10.26113 89.96796       25.86300 82.72000       40.07824 95.14000       33.85571 58.20959 16.21510 64.00601 13.35046 -5.796421      21.00391 
1 1 1 15 1  -13 o 61.45973 10.88167 84.12678       26.38282 93.30000       40.14025 77.15000       35.00633 62.43550 15.71479 57.11150 14.83707 5.324009       21.61234 
1 1 1 15 1  -12 o 94.09370 7.423591 187.1158       28.37062 165.6000       43.22466 203.4000       37.60417 85.99057 12.65400 97.14846 9.577567 -11.15789      15.86989 
1 1 1 15 1  -11 o 86.50266 8.034199 158.7704       28.13223 140.4000       43.28990 172.2000       37.01332 78.61421 13.95944 89.13303 10.33252 -10.51882      17.36741 
1 1 1 15 1  -10 f 25.25999 11.49472 -13.32902      26.07874 4.530000       40.49911 -25.98000      34.08622 35.75958 15.36561 27.15479 12.63618 8.604794       19.89409 
1 1 1 15 1  -9  o 81.84397 8.608473 142.4480       28.41800 204.2000       44.61828 100.3000       36.86172 96.88154 11.46947 66.48380 13.98449 30.39774       18.08631 
1 1 1 15 1  -8  o 36.37257 13.47827 23.86439       26.66149 34.95000       41.92971 16.34000       34.54441 44.06018 16.77876 36.65796 14.83475 7.402225       22.39635 
1 1 1 15 1  -7  o 92.42973 7.736605 179.6180       29.01266 229.6000       45.31604 144.9000       37.76785 103.3510 10.87068 81.57635 11.63606 21.77469       15.92386 
1 1 1 15 1  -6  o 39.17594 13.71801 30.53911       27.15503 58.81000       43.10041 11.93000       34.96829 51.78730 17.30549 35.77290 14.75294 16.01440       22.74048 
1 1 1 15 1  -5  o 25.30892 11.55864 -15.59611      26.67532 -8.364000      42.11860 -20.44000      34.46979 34.23036 15.16358 28.53816 13.07330 5.692205       20.02112 
1 1 1 15 1  -4  o 30.85617 12.84877 6.365109       26.88238 42.74000       42.31005 -18.26000      34.81222 46.81119 17.03995 29.12996 13.26545 17.68122       21.59473 
1 1 1 15 1  -3  o 106.3178 7.290605 235.9870       31.54693 217.8000       48.11565 249.7000       41.78033 100.5039 11.92382 108.6666 9.484646 -8.162758      15.23601 
1 1 1 15 1  -2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 1  -1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 1  0   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 1  1   o 51.08683 13.41232 58.10209       28.40846 13.55000       43.79746 90.46000       37.32546 39.60300 16.43803 63.45173 14.66068 -23.84872      22.02599 
1 1 1 15 1  2   o 131.6258 6.010507 359.0176       32.30939 393.2000       50.23381 334.9000       42.19506 136.7583 9.020906 126.4654 8.192356 10.29295       12.18571 
1 1 1 15 1  3   o 166.5382 5.318979 572.9973       36.22506 558.9000       54.17188 584.4000       48.72058 163.4994 8.116961 167.5962 7.115629 -4.096832      10.79432 
1 1 1 15 1  4   o 95.30845 7.433068 190.0962       28.77916 196.0000       44.34436 185.8000       37.82777 95.35380 11.59541 93.39106 10.04992 1.962738       15.34452 
1 1 1 15 1  5   o 67.00463 10.01443 96.61040       26.63441 107.7000       40.83566 88.40000       35.13693 69.06729 14.87887 62.73014 14.03118 6.337151       20.45128 
1 1 1 15 1  6   o 162.0721 5.121443 542.8469       33.94529 509.3000       49.64604 572.3000       46.51825 156.0215 7.795676 165.8044 6.866632 -9.782959      10.38861 
1 1 1 15 1  7   o 112.6958 6.284761 264.2816       28.88665 284.8000       43.42832 248.0000       38.68557 115.9506 9.222880 108.3210 8.797587 7.629593       12.74594 
1 1 1 15 1  8   o 55.04096 11.32931 66.98270       24.68214 66.07000       37.20699 67.70000       32.98479 53.75304 15.83547 54.50483 14.51954 -0.7517815     21.48439 
1 1 1 15 1  9   o 159.8007 4.961045 528.2563       32.42274 499.8000       47.23954 553.6000       44.58121 154.4159 7.493553 162.9088 6.697456 -8.492935      10.05034 
1 1 1 15 1  10  f 114.2945 5.715944 271.6772       26.66597 308.8000       40.15844 242.4000       35.66325 120.9227 8.158195 107.0594 8.197619 13.86329       11.56534 
1 1 1 15 1  11  o 64.18549 9.005027 88.84389       23.01705 59.11000       34.53809 112.6000       30.87166 50.62833 15.33922 71.64584 10.86342 -21.01751      18.79642 
1 1 1 15 1  12  o 121.3462 5.364113 306.2079       26.58728 312.2000       39.62218 301.3000       35.85903 121.3870 8.016413 119.5570 7.360540 1.829956       10.88303 
1 1 1 15 1  13  o 39.23494 12.03870 34.36139       21.18530 5.047000       32.32635 56.43000       28.04813 32.25406 13.79087 49.32061 13.49803 -17.06655      19.29728 
1 1 1 15 1  14  o 32.74540 11.90180 20.83754       20.63024 22.92000       32.15104 19.38000       26.89787 36.91621 14.51745 34.17067 13.32534 2.745537       19.70586 
1 1 1 15 1  15  o 22.79935 10.18102 -5.508878      19.37751 25.31000       30.40857 -26.58000      25.14383 36.96812 14.23579 21.89385 10.39180 15.07427       17.62518 
1 1 1 15 1  16  o 100.2479 5.672247 211.0974       23.18884 189.5000       35.05552 227.9000       30.92032 92.98164 9.333441 103.2970 7.358427 -10.31538      11.88527 
1 1 1 15 1  17  o 48.93616 10.00951 54.46592       19.38009 41.95000       29.78982 63.65000       25.51846 42.18394 14.38690 51.88621 12.21489 -9.702267      18.87290 
1 1 1 15 1  18  f 21.43870 9.044040 2.648047       13.58639 3.152495       16.33538 1.516000       24.47108 23.32376 9.881775 27.06372 11.78561 -3.739969      15.38018 
1 1 1 15 1  19  o 41.88067 8.646294 39.68683       14.33596 48.12740       17.35260 21.54000       25.44362 45.79365 9.563198 33.35941 12.97396 12.43424       16.11764 
1 1 1 15 1  20  o 50.40016 6.972236 55.60107       14.00396 47.20721       17.01744 73.21000       24.64790 45.17373 9.501599 55.40775 11.24851 -10.23402      14.72445 
1 1 1 15 1  21  o 57.26129 6.125152 70.83431       14.13876 81.55254       17.44708 50.33000       24.13148 60.94390 7.125820 44.61446 12.63748 16.32943       14.50804 
1 1 1 15 1  22  o 67.71056 5.255589 97.79981       14.45741 111.4593       17.93690 72.47000       24.42565 71.78316 6.161958 54.39698 11.33423 17.38618       12.90095 
1 1 1 15 1  23  o 52.98243 6.588134 61.87456       13.98499 64.87956       17.16918 55.95000       24.10764 53.33979 8.116535 46.36156 12.44106 6.978237       14.85456 
1 1 1 15 1  24  o 20.12303 8.710249 1.595528       13.20070 -3.008019      16.16826 10.80000       22.86211 20.44071 9.200104 27.49456 11.67135 -7.053852      14.86144 
1 1 1 15 1  25  o 23.40268 9.345004 9.634859       13.51424 3.468530       16.85366 20.74000       22.61741 22.55263 9.801398 30.22351 12.08245 -7.670889      15.55805 
1 1 1 15 1  26  o 52.75226 6.030544 61.92144       12.79253 54.93874       18.15642 68.80497       18.02703 46.76907 9.795223 53.68732 8.481627 -6.918251      12.95702 
1 1 1 15 1  27  o 17.26783 8.398043 -24.13111      18.89226 -45.29000      27.57804 -5.421000      25.93314 18.99904 9.415452 23.83377 11.06729 -4.834732      14.53051 
1 1 1 15 1  28  o 36.89074 11.78915 38.08910       20.10711 24.19000       28.89409 51.14000       27.99856 31.33337 13.20204 40.35700 13.94142 -9.023628      19.20044 
1 1 1 15 1  29  o 29.78510 9.471364 22.58926       12.99094 10.87515       18.40240 34.22620       18.34168 25.06071 10.54620 35.15267 11.26242 -10.09196      15.42934 
1 1 1 15 1  30  o 29.07140 9.972283 22.33402       14.31728 24.04277       18.17548 19.54000       23.24133 29.69055 11.10385 28.33859 11.88416 1.351963       16.26433 
1 1 1 15 1  31  o 29.16686 9.453003 22.77315       12.89695 11.72791       18.47079 33.28094       18.01580 24.53089 10.45472 33.53966 11.18805 -9.008774      15.31254 
1 1 1 15 2  -30 o 24.61265 10.85520 9.856036       21.35744 26.45000       30.16951 -6.814000      30.23858 29.91599 13.05591 23.69008 11.28740 6.225912       17.25869 
1 1 1 15 2  -29 f 39.57518 12.17069 47.43105       21.63715 36.32000       30.47876 58.72000       30.72178 33.24667 13.74827 40.32969 14.54250 -7.083023      20.01247 
1 1 1 15 2  -28 o 63.03312 8.834789 97.43353       22.17761 77.81000       31.11414 117.7000       31.61974 48.78069 14.50926 64.55926 12.41197 -15.77857      19.09386 
1 1 1 15 2  -27 o 17.20979 8.421567 -28.01778      19.85098 -32.36000      28.04846 -23.66000      28.09864 20.56940 10.05385 21.69261 10.47624 -1.123217      14.52004 
1 1 1 15 2  -26 o 23.81592 10.42052 5.287294       19.32713 3.867000       27.07940 6.762000       27.59323 26.08843 11.80879 26.86100 12.06017 -0.7725658     16.87884 
1 1 1 15 2  -25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 2  -24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 2  -23 o 33.28674 14.13934 24.72000       33.59049 24.72000       33.59049 0.000000       0.000000 33.28674 14.13934 ?        ?        ?              ?        
1 1 1 15 2  -22 o 25.77187 10.98910 7.446391       20.42528 -7.442000      28.57968 22.99000       29.20179 25.48656 11.75852 32.84309 13.50670 -7.356525      17.90792 
1 1 1 15 2  -21 o 67.95478 8.282574 104.8042       22.57120 101.2000       32.65885 108.1000       31.23005 62.36195 13.20155 65.68954 12.05463 -3.327587      17.87722 
1 1 1 15 2  -20 o 91.19523 6.567199 180.4994       24.35895 171.1000       35.68547 188.7000       33.33230 85.25533 10.43982 90.99320 9.066600 -5.737869      13.82726 
1 1 1 15 2  -19 o 40.66379 12.34220 41.16973       22.34650 22.62000       33.84919 55.50000       29.75134 34.98494 14.47979 45.89889 14.29796 -10.91395      20.34935 
1 1 1 15 2  -18 o 26.56762 11.56991 2.562976       23.58502 21.35000       38.51443 -8.709000      29.83283 36.08713 15.22561 26.76711 12.22422 9.320019       19.52565 
1 1 1 15 2  -17 o 31.98392 14.36644 -1.170000      39.20221 -1.170000      39.20221 0.000000       0.000000 31.98392 14.36644 ?        ?        ?              ?        
1 1 1 15 2  -16 o 89.77227 7.435308 174.0951       27.08671 162.0000       43.95562 181.5000       34.39288 81.90625 13.58160 90.26987 9.444281 -8.363617      16.54250 
1 1 1 15 2  -15 o 99.47601 6.935109 211.4113       28.07162 199.3000       46.19938 218.5000       35.34451 92.42332 12.53002 99.94923 8.723436 -7.525902      15.26760 
1 1 1 15 2  -14 f 71.77209 9.199994 113.5487       26.41659 42.95000       43.90805 153.6000       33.07152 44.22485 17.08613 83.17361 9.904925 -38.94875      19.74952 
1 1 1 15 2  -13 o 34.55959 12.88070 23.29896       24.41615 28.04000       41.83608 20.85000       30.06800 40.36295 16.32861 35.31834 13.99242 5.044609       21.50375 
1 1 1 15 2  -12 f 50.61763 12.44179 59.53482       25.60195 41.71000       42.97696 69.34000       31.87506 44.52916 16.97987 53.90278 14.23359 -9.373623      22.15652 
1 1 1 15 2  -11 o 103.0567 6.858286 224.2087       28.77651 260.4000       47.62700 203.4000       36.11382 108.7431 10.84041 96.97266 9.205178 11.77044       14.22146 
1 1 1 15 2  -10 o 40.75863 13.39634 36.79605       25.85679 40.18000       43.91169 35.00000       31.99098 44.83138 17.14676 41.01774 14.83326 3.813637       22.67239 
1 1 1 15 2  -9  f 115.7144 6.416054 280.5472       30.28144 273.4000       49.22023 284.9000       38.41101 111.8798 10.88134 115.8083 8.152208 -3.928574      13.59640 
1 1 1 15 2  -8  f 97.15183 7.303371 199.0826       28.84083 189.8000       46.97128 204.7000       36.53983 92.15246 12.79256 97.67435 9.246191 -5.521889      15.78422 
1 1 1 15 2  -7  o 20.09731 9.804450 -45.36427      26.31022 -14.67000      43.43802 -63.15000      33.06566 33.10714 14.97386 21.74224 10.68617 11.36491       18.39595 
1 1 1 15 2  -6  o 24.81163 11.31435 -13.61293      25.43493 8.515000       42.70247 -25.78000      31.66472 37.35545 15.90755 25.93502 12.10537 11.42043       19.98975 
1 1 1 15 2  -5  o 25.20736 11.46863 -13.24581      25.94528 -27.34000      43.71834 -5.583000      32.23575 31.33198 14.48646 30.10863 13.30517 1.223351       19.66940 
1 1 1 15 2  -4  o 82.40189 8.326134 144.1276       27.70847 189.4000       45.97326 118.3000       34.72406 92.74094 12.41804 73.17430 12.00498 19.56664       17.27215 
1 1 1 15 2  -3  o 65.76685 10.44281 94.22057       27.18331 132.7000       45.40937 72.73000       33.93557 76.17582 15.09187 56.29745 14.59976 19.87837       20.99804 
1 1 1 15 2  -2  o 36.58218 13.35079 25.11564       25.99691 67.01000       43.86207 2.429000       32.27724 54.10662 17.42420 32.05880 13.74545 22.04782       22.19324 
1 1 1 15 2  -1  o 62.85608 10.86761 86.52309       26.95921 74.48000       44.99021 93.27000       33.67453 56.65191 17.57203 64.42474 13.20898 -7.772835      21.98303 
1 1 1 15 2  0   o 128.8947 6.074343 345.5233       31.96946 325.0000       51.00929 358.8000       41.02698 123.2693 10.19693 130.7437 7.697512 -7.474396      12.77611 
1 1 1 15 2  1   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 2  2   o 104.5163 9.211578 232.4000       39.01932 0.000000       0.000000 232.4000       39.01932 ?        ?        104.5163 9.211578 ?              ?        
1 1 1 15 2  3   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 2  4   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 2  5   o 58.07153 11.95198 75.34625       27.47220 68.39000       43.91177 79.82000       35.21510 54.33754 17.42793 58.83150 14.66932 -4.493961      22.77985 
1 1 1 15 2  6   o 59.25242 10.74880 77.37025       25.11884 34.30000       41.59150 102.1000       31.51562 43.41090 16.66642 67.84958 11.77022 -24.43868      20.40361 
1 1 1 15 2  7   o 59.28259 10.56666 77.41496       24.70939 79.10000       42.42634 76.55000       30.39669 57.73915 16.88265 57.97884 13.11192 -0.2396889     21.37630 
1 1 1 15 2  8   f 60.71503 10.09196 80.84729       24.20930 81.14000       41.84258 80.70000       29.68190 58.28791 16.68411 59.67445 12.54607 -1.386536      20.87495 
1 1 1 15 2  9   f 86.49303 7.150522 158.0347       25.09857 175.0000       42.12861 148.7000       31.24970 88.77187 11.88843 82.98119 9.360038 5.790672       15.13093 
1 1 1 15 2  10  o 65.17819 8.959767 92.14291       23.28032 100.1000       40.17421 88.12000       28.56540 64.85091 15.36590 62.60173 11.56978 2.249180       19.23462 
1 1 1 15 2  11  o 42.12209 12.34971 40.51474       22.67559 56.57000       39.34554 32.53000       27.74707 49.03731 16.53600 39.17134 13.85423 9.865963       21.57264 
1 1 1 15 2  12  f 102.4910 4.267761 217.8635       17.87141 200.0186       21.59032 256.7000       31.85092 97.81228 5.411746 110.0499 7.106175 -12.23759      8.932229 
1 1 1 15 2  13  o 78.94244 5.154864 130.4057       16.57181 144.0548       20.46368 104.4000       28.24658 82.64270 6.089983 68.33401 10.42449 14.30869       12.07302 
1 1 1 15 2  14  f 35.57448 11.75573 28.19551       19.90191 69.44000       33.92051 6.544000       24.57669 52.98946 14.97390 28.78895 12.15533 24.20051       19.28652 
1 1 1 15 2  15  o 25.71671 9.626120 11.86450       13.66585 13.25605       16.55051 8.883000       24.22589 27.57847 10.53204 29.18940 12.17937 -1.610924      16.10158 
1 1 1 15 2  16  o 63.24236 5.808803 84.97900       14.87458 88.52843       18.26523 77.99000       25.63027 64.00697 7.087672 57.84374 11.22611 6.163235       13.27631 
1 1 1 15 2  17  o 108.1649 3.949853 243.4834       17.46472 239.4201       21.53077 251.3000       29.86261 106.7718 4.938059 108.2131 6.773407 -1.441246      8.382331 
1 1 1 15 2  18  o 23.56101 9.319946 8.371171       13.32053 9.884130       16.33940 5.373000       23.00121 25.66340 10.26614 27.09323 11.60967 -1.429829      15.49768 
1 1 1 15 2  19  o 56.52192 8.099511 71.52108       18.21058 71.52108       18.21058 0.000000       0.000000 56.52192 8.099511 ?        ?        ?              ?        
1 1 1 15 2  20  o 64.22483 5.682527 88.55678       14.79003 91.88911       18.48605 82.63000       24.65358 64.61267 7.104252 58.83367 10.62452 5.778999       12.78088 
1 1 1 15 2  21  o 82.24467 4.699176 143.2570       15.75951 161.9290       19.92994 112.1000       25.74472 86.83391 5.635657 69.47406 9.281864 17.35985       10.85880 
1 1 1 15 2  22  o 32.95025 9.640961 26.30415       13.83146 28.16145       17.07525 22.76000       23.58753 33.69710 10.87334 31.81449 12.45750 1.882610       16.53538 
1 1 1 15 2  23  o 24.33269 9.532024 11.18329       13.81496 2.738987       17.00067 27.60000       23.70431 22.49816 9.809964 33.06871 12.61028 -10.57055      15.97669 
1 1 1 15 2  24  o 52.19144 7.289073 62.47907       15.15314 57.92087       18.88447 70.72000       25.39196 48.12827 9.912711 50.78068 12.33543 -2.652409      15.82481 
1 1 1 15 2  25  o 40.57050 9.109818 40.76914       14.76225 39.64904       18.42044 42.78000       24.68105 38.36213 11.09768 38.03239 13.09152 0.3297386      17.16236 
1 1 1 15 2  26  o 69.13272 5.783558 105.5631       16.22215 104.9698       20.34060 106.6000       26.88971 67.31290 7.507380 64.45815 10.55271 2.854744       12.95069 
1 1 1 15 2  27  o 19.96558 8.866051 0.2232779      14.48621 2.907913       18.35326 -4.213000      23.59283 22.66899 10.02746 23.11231 10.67040 -0.4433174     14.64266 
1 1 1 15 2  28  o 23.93876 9.674561 11.18671       14.66982 11.96698       18.83973 9.985000       23.38040 25.44312 10.68675 26.07353 11.43335 -0.6304111     15.65018 
1 1 1 15 2  29  f 54.40703 7.146508 69.61037       15.53654 76.32730       19.82549 58.92000       25.01120 54.89603 9.141093 43.13715 13.04990 11.75889       15.93297 
1 1 1 15 2  30  o 27.17656 9.657725 19.56093       13.49733 16.08544       19.16373 22.98209       19.01338 26.07211 10.85189 28.63359 11.19259 -2.561478      15.58966 
1 1 1 15 3  -29 o 24.86920 10.92308 11.08504       21.41902 19.95000       31.12156 3.107000       29.52371 28.38988 12.77221 24.98072 11.66949 3.409159       17.30047 
1 1 1 15 3  -28 o 18.08235 8.786301 -21.49229      20.55494 -23.51000      30.10397 -19.73000      28.13406 21.63989 10.54159 21.44962 10.38877 0.1902676      14.80039 
1 1 1 15 3  -27 o 23.03500 10.38099 2.286869       20.66008 -3.065000      29.46328 7.464000       28.97830 24.80222 11.60935 26.61508 12.11352 -1.812864      16.77839 
1 1 1 15 3  -26 o 25.46558 10.85580 10.56891       19.92395 23.05000       29.55665 0.1740000      26.97362 30.85624 13.18986 25.09127 11.52041 5.764965       17.51263 
1 1 1 15 3  -25 o 24.02704 10.56014 5.141822       20.04943 18.53000       29.59775 -6.211000      27.25523 29.98740 13.01102 24.14188 11.25596 5.845518       17.20417 
1 1 1 15 3  -24 o 28.76159 11.38113 19.52228       19.87039 14.75000       29.00997 23.74000       27.27239 29.00962 12.72781 31.09230 12.94393 -2.082676      18.15330 
1 1 1 15 3  -23 o 31.96737 11.60521 26.98726       19.60692 45.88000       28.57558 10.18000       26.95231 38.56187 14.00866 27.61850 12.18710 10.94338       18.56792 
1 1 1 15 3  -22 o 36.29154 11.69454 35.47858       19.75621 24.72000       27.88608 46.32000       27.99322 32.07510 13.19574 39.42387 13.91808 -7.348770      19.17917 
1 1 1 15 3  -21 o 28.32226 12.81884 3.462000       31.90197 0.000000       0.000000 3.462000       31.90197 ?        ?        28.32226 12.81884 ?              ?        
1 1 1 15 3  -20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 3  -19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 3  -18 o 32.99028 12.10952 24.88043       21.43472 -19.84000      31.42251 63.80000       29.31378 25.06640 11.81319 48.93156 13.95130 -23.86516      18.28087 
1 1 1 15 3  -17 o 68.27153 8.321164 104.4874       22.78206 88.08000       33.43937 118.7000       31.12262 57.99221 14.19802 70.56243 11.14084 -12.57022      18.04722 
1 1 1 15 3  -16 o 65.11815 9.187528 96.21812       23.81774 101.2000       37.94812 92.98000       30.59424 61.93732 15.10126 61.50832 12.57222 0.4289970      19.64965 
1 1 1 15 3  -15 o 33.51219 12.53795 23.71851       23.17813 13.87000       39.37656 28.94000       28.67145 34.85604 15.06546 36.45330 13.87643 -1.597260      20.48227 
1 1 1 15 3  -14 f 64.10259 9.687127 93.03088       24.63454 88.28000       40.50388 95.82000       31.03438 57.52246 16.39892 63.22530 12.43076 -5.702843      20.57787 
1 1 1 15 3  -13 o 31.69504 12.39281 17.83774       23.31526 -17.17000      40.23962 35.53000       28.60642 29.97181 13.87183 39.32713 14.05085 -9.355326      19.74472 
1 1 1 15 3  -12 o 74.72999 8.629401 122.5247       25.92136 67.39000       44.57299 150.7000       31.86353 50.90281 17.59009 82.31675 9.635361 -31.41394      20.05621 
1 1 1 15 3  -11 o 45.38779 12.69138 48.92781       24.50208 52.86000       43.65984 47.12000       29.60342 46.87933 17.26987 44.34350 14.31767 2.535828       22.43310 
1 1 1 15 3  -10 o 94.77847 7.044889 191.3013       27.14510 194.4000       46.50618 189.7000       33.43083 91.76411 12.71844 93.35535 8.851207 -1.591240      15.49524 
1 1 1 15 3  -9  o 43.59751 12.72045 44.27751       24.10832 46.30000       42.53074 43.32000       29.26389 45.53968 16.99479 43.24620 14.25348 2.293484       22.18072 
1 1 1 15 3  -8  o 33.08093 12.60538 19.59812       23.67452 2.310000       42.45530 27.40000       28.52053 35.07660 15.39327 37.26167 13.91465 -2.185070      20.75018 
1 1 1 15 3  -7  o 21.68984 10.19622 -21.30914      23.14886 -51.08000      41.61977 -7.974000      27.85497 26.77791 12.88628 27.01178 12.12341 -0.2338734     17.69275 
1 1 1 15 3  -6  o 96.58852 6.983198 197.1680       27.43229 249.2000       47.98065 171.9000       33.43617 106.1818 11.20422 89.07793 9.303916 17.10388       14.56356 
1 1 1 15 3  -5  o 43.58274 12.78786 43.42342       24.30503 61.18000       43.45551 35.34000       29.31992 50.94735 17.37622 40.62916 14.25229 10.31819       22.47356 
1 1 1 15 3  -4  o 83.46958 7.731235 148.2579       26.12393 112.3000       44.55170 167.1000       32.25014 68.35445 16.17173 88.04839 9.074951 -19.69394      18.54399 
1 1 1 15 3  -3  o 56.54720 11.19701 71.70014       25.00858 78.05000       44.30051 68.73000       30.29805 56.71249 17.41006 54.40093 13.63076 2.311558       22.11126 
1 1 1 15 3  -2  f 30.36575 12.36606 10.46826       24.18029 -19.86000      42.51437 24.97000       29.39829 31.64499 14.50489 37.06904 14.06520 -5.424046      20.20450 
1 1 1 15 3  -1  o 26.25421 11.54100 -3.318470      23.95642 -10.80000      42.71156 0.1155000      28.93666 33.26033 14.96306 29.63522 12.86151 3.625111       19.73098 
1 1 1 15 3  0   o 140.4599 5.699855 411.0664       32.71430 370.1000       53.66022 435.3000       41.27124 130.8581 10.09238 143.9049 7.025254 -13.04680      12.29676 
1 1 1 15 3  1   o 53.37036 12.26476 64.85980       26.23997 78.41000       46.73055 58.62000       31.71125 56.86535 17.94894 50.16628 14.57525 6.699066       23.12147 
1 1 1 15 3  2   f 126.9810 5.938962 336.6918       30.79419 253.9000       49.75409 388.1000       39.20589 107.3464 11.49815 135.8047 7.074769 -28.45828      13.50037 
1 1 1 15 3  3   o 45.68699 12.61091 47.74276       24.36400 117.9000       44.39199 17.50000       29.14601 70.40975 15.78797 34.52585 13.74455 35.88390       20.93258 
1 1 1 15 3  4   o 47.15843 12.48020 51.00594       24.47105 58.41000       44.91343 47.88000       29.18314 50.29349 17.63991 45.65357 14.15100 4.639919       22.61454 
1 1 1 15 3  5   o 90.49265 7.145425 173.2742       26.26210 209.4000       45.64710 155.4000       32.10831 97.03465 11.72599 84.66227 9.421369 12.37238       15.04197 
1 1 1 15 3  6   o 39.21886 9.507013 34.32455       15.10674 44.97709       18.01606 9.097000       27.72497 44.81000 10.06537 31.32077 13.04591 13.48923       16.47749 
1 1 1 15 3  7   o 66.07738 6.101619 92.08386       16.32270 100.1121       19.75854 74.83000       28.96604 68.56174 7.142593 56.82766 12.76122 11.73409       14.62413 
1 1 1 15 3  8   o 57.14581 9.516443 72.18000       21.48536 72.18000       21.48536 0.000000       0.000000 57.14581 9.516443 ?        ?        ?              ?        
1 1 1 15 3  9   o 61.08756 9.092200 81.99000       22.05080 81.99000       22.05080 0.000000       0.000000 61.08756 9.092200 ?        ?        ?              ?        
1 1 1 15 3  10  o 53.94635 9.968684 65.38000       21.20941 65.38000       21.20941 0.000000       0.000000 53.94635 9.968684 ?        ?        ?              ?        
1 1 1 15 3  11  o 90.31319 4.719337 170.2592       17.39190 180.1356       21.71742 152.6000       29.03998 92.47232 5.764174 83.64659 8.601021 8.825729       10.35390 
1 1 1 15 3  12  o 56.79366 6.583616 69.16484       15.02718 83.20423       18.83257 44.56000       24.93135 61.92472 7.585341 43.17345 13.02218 18.75126       15.07032 
1 1 1 15 3  13  o 43.20852 8.506677 41.81383       14.51462 40.56519       18.03433 44.11000       24.45590 41.75769 10.54625 42.78692 12.89562 -1.029232      16.65895 
1 1 1 15 3  14  f 37.66877 9.341986 32.57673       14.33853 21.40746       17.80433 53.19000       24.18726 31.54000 11.10283 46.80576 12.41727 -15.26576      16.65717 
1 1 1 15 3  15  o 68.13150 5.582855 98.64297       15.43855 76.82447       19.15438 139.1000       26.08270 58.84517 8.169413 79.46183 8.130727 -20.61666      11.52597 
1 1 1 15 3  16  o 80.55045 5.636836 138.1140       18.47472 160.9000       26.09072 115.2000       26.16384 85.74498 7.506735 71.34407 9.167749 14.40091       11.84900 
1 1 1 15 3  17  o 55.60693 6.606582 67.40376       14.74916 76.69875       18.31993 50.28000       24.86560 58.68442 7.818221 44.42822 12.90604 14.25620       15.08942 
1 1 1 15 3  18  o 66.69186 6.842824 97.40018       18.42196 112.5000       26.36244 82.99000       25.75339 69.76702 9.472530 58.52561 11.15350 11.24141       14.63316 
1 1 1 15 3  19  o 43.07858 8.586266 43.06392       14.61389 35.07800       18.06844 58.17000       24.85044 37.59197 11.02463 47.30937 12.60265 -9.717403      16.74423 
1 1 1 15 3  20  o 19.99465 8.783451 -0.1930924     13.85463 6.266992       17.12315 -12.44000      23.57642 24.01084 10.14239 22.37866 10.44544 1.632179       14.55937 
1 1 1 15 3  21  o 30.65743 9.815454 22.93306       13.93323 17.82424       17.38759 32.10000       23.29115 28.37135 10.80470 34.90602 12.65198 -6.534668      16.63773 
1 1 1 15 3  22  o 45.15733 8.264633 48.24655       14.71888 55.32528       18.57458 36.30000       24.13030 47.06385 9.950068 36.02985 12.90114 11.03400       16.29243 
1 1 1 15 3  23  o 34.98892 9.746332 31.20342       14.47970 26.90424       18.17199 38.68000       23.96411 31.98073 11.22016 36.56290 12.88021 -4.582174      17.08191 
1 1 1 15 3  24  o 62.16676 6.208339 86.41294       15.59254 79.15964       19.69637 98.59000       25.52051 57.32124 8.661531 62.12973 10.39866 -4.808495      13.53345 
1 1 1 15 3  25  o 34.36557 9.980946 30.58700       14.87288 12.10338       18.93364 60.37000       24.03394 25.83115 10.77182 46.03872 12.45147 -20.20757      16.46424 
1 1 1 15 3  26  o 43.55801 8.839634 46.76820       15.22676 27.54904       19.18964 79.44000       25.01995 31.86515 11.49301 53.93209 11.66915 -22.06693      16.37860 
1 1 1 15 3  27  o 70.66855 5.712930 111.2692       16.39058 110.9029       20.60723 111.9000       27.04222 68.67577 7.447158 65.16914 10.48987 3.506638       12.86458 
1 1 1 15 3  28  o 30.48109 10.29694 25.70794       15.25639 18.54304       19.44223 37.19000       24.61221 27.19461 11.08332 33.81511 12.86034 -6.620501      16.97729 
1 1 1 15 3  29  o 37.09560 10.98443 40.37500       17.86486 24.86000       25.26473 55.89000       25.26473 29.22173 12.33046 40.51187 13.23790 -11.29014      18.09095 
1 1 1 15 4  -27 o 34.82775 10.77069 35.09224       16.91731 42.42653       20.35305 18.70000       30.42771 37.05679 11.86300 28.22012 12.66791 8.836674       17.35531 
1 1 1 15 4  -26 o 17.35863 8.483185 -24.93834      19.94653 -16.91000      28.85045 -32.29000      27.60785 22.22017 10.70208 19.86124 9.762239 2.358932       14.48571 
1 1 1 15 4  -25 o 22.88399 10.36168 0.9269049      20.86942 -51.05000      30.67435 45.72000       28.47578 19.44813 9.686651 37.27975 13.90724 -17.83162      16.94823 
1 1 1 15 4  -24 o 23.25065 10.42109 1.938759       20.50472 19.14000       30.03306 -13.08000      28.06317 30.02739 13.06659 23.17220 10.99273 6.855188       17.07559 
1 1 1 15 4  -23 o 27.91784 11.37673 16.96954       20.48229 41.04000       29.53790 -5.324000      28.42672 36.46352 14.03336 24.71572 11.51409 11.74780       18.15240 
1 1 1 15 4  -22 o 30.90850 11.67344 24.83960       20.19498 21.88000       29.38119 27.49000       27.80407 30.83551 13.16500 32.24235 13.21072 -1.406845      18.65048 
1 1 1 15 4  -21 o 30.51523 11.67184 23.51082       20.34743 7.091000       29.42351 38.56000       28.16870 27.55844 12.40674 36.01016 13.74302 -8.451714      18.51480 
1 1 1 15 4  -20 o 21.33272 9.790350 -5.350672      19.45094 -27.90000      27.88783 16.01000       27.14285 21.36809 10.34783 29.45196 12.61584 -8.083870      16.31678 
1 1 1 15 4  -19 o 47.57787 10.76669 57.45098       20.48426 55.66000       28.62781 59.33000       29.32294 43.56641 14.08088 44.84954 14.22591 -1.283134      20.01619 
1 1 1 15 4  -18 o 38.76573 11.81432 39.18879       20.44761 52.30000       28.47988 25.24000       29.37549 42.91148 14.05700 33.36149 13.61340 9.549988       19.56844 
1 1 1 15 4  -17 o 39.76085 11.93718 40.58777       20.98553 17.26000       30.18200 62.42000       29.19849 31.77338 13.44555 47.57644 14.03133 -15.80306      19.43350 
1 1 1 15 4  -16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 4  -15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 4  -14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 4  -13 o 40.62449 13.77946 41.34000       27.32264 0.000000       0.000000 41.34000       27.32264 ?        ?        40.62449 13.77946 ?              ?        
1 1 1 15 4  -12 f 38.93675 13.92444 36.25000       28.10076 0.000000       0.000000 36.25000       28.10076 ?        ?        38.93675 13.92444 ?              ?        
1 1 1 15 4  -11 o 30.13368 12.67170 10.32000       26.53676 0.000000       0.000000 10.32000       26.53676 ?        ?        30.13368 12.67170 ?              ?        
1 1 1 15 4  -10 o 37.56581 12.71607 32.80261       23.26746 27.03000       44.45950 34.98000       27.30527 39.36076 16.46691 38.81440 13.74203 0.5463638      21.44767 
1 1 1 15 4  -9  o 43.93149 12.38295 46.32464       23.22764 81.74000       44.46066 33.03000       27.24070 55.01424 17.52505 38.21427 13.70457 16.79998       22.24731 
1 1 1 15 4  -8  o 102.2915 6.530100 222.6608       27.20885 226.9000       49.26372 220.8000       32.63866 98.57111 12.48508 100.9447 7.960699 -2.373642      14.80709 
1 1 1 15 4  -7  o 43.60578 12.46130 45.14177       23.36050 55.44000       45.61200 41.48000       27.19841 47.48286 17.62284 41.86691 13.73837 5.615955       22.34518 
1 1 1 15 4  -6  o 91.68355 7.024863 179.5466       26.17178 123.9000       47.77949 203.4000       31.28222 69.36055 16.96551 97.06947 7.939591 -27.70892      18.73141 
1 1 1 15 4  -5  o 147.5785 3.862205 451.1227       23.31897 462.9022       29.07903 429.9000       39.03176 149.0426 4.770953 142.4086 6.712455 6.633926       8.235232 
1 1 1 15 4  -4  o 36.54745 9.473114 30.16041       14.29215 36.34120       16.92667 14.81000       26.67532 39.90289 10.29228 32.20721 13.03518 7.695679       16.60864 
1 1 1 15 4  -3  o 55.65589 10.94319 70.58764       24.04973 79.26000       46.17867 67.36000       28.17183 55.45168 17.88031 53.33135 13.01662 2.120323       22.11647 
1 1 1 15 4  -2  f 39.64825 9.335584 35.35257       14.90370 29.52951       17.98626 48.11000       26.62239 36.19905 11.08986 45.12011 13.42132 -8.921059      17.41025 
1 1 1 15 4  -1  o 75.13319 5.392179 118.4272       16.47870 123.7838       20.05672 107.3000       28.90707 76.42477 6.469897 69.22378 10.52964 7.200996       12.35851 
1 1 1 15 4  0   o 81.32224 5.174767 138.3793       17.14217 141.7542       20.87934 131.4000       30.02594 81.90303 6.273511 77.19592 9.713564 4.707115       11.56332 
1 1 1 15 4  1   o 60.50034 6.492917 77.88754       15.83367 66.84452       18.95316 103.4000       28.80806 55.18166 8.673956 67.82485 10.72945 -12.64320      13.79705 
1 1 1 15 4  2   f 26.23505 9.897243 11.86039       14.50763 -0.4589954     17.38457 40.12000       26.33011 22.96904 9.968692 41.66208 13.50713 -18.69304      16.78742 
1 1 1 15 4  3   o 100.2222 4.477283 208.9319       18.32759 207.9111       22.58595 210.9000       31.36094 99.55360 5.562724 99.14305 7.787535 0.4105530      9.570246 
1 1 1 15 4  4   o 57.32533 6.729912 70.31207       15.49671 74.20275       18.91932 62.38000       27.01381 58.35360 8.139117 51.29499 12.88111 7.058605       15.23707 
1 1 1 15 4  5   o 49.96304 7.619836 54.34179       15.09645 53.09084       18.45718 56.87000       26.23935 48.57360 9.620234 48.87200 12.91837 -0.2984047     16.10693 
1 1 1 15 4  6   o 19.83166 8.769298 -2.909374      14.02462 0.5685062      17.13602 -9.965000      24.40733 23.05130 9.950738 24.45780 11.12601 -1.406506      14.92666 
1 1 1 15 4  7   o 40.61449 9.099977 37.23714       14.75772 31.11916       18.38519 48.32000       24.74516 36.82007 11.19892 44.95738 12.81808 -8.137306      17.02113 
1 1 1 15 4  8   o 22.51193 9.320526 4.511426       14.03156 8.532725       17.66984 -2.353000      23.08615 26.08401 10.59005 25.45346 11.25333 0.6305447      15.45272 
1 1 1 15 4  9   o 61.33618 6.769690 80.95522       16.71986 70.98000       22.06730 94.40000       25.61915 55.82939 10.02123 64.56638 10.01440 -8.736992      14.16733 
1 1 1 15 4  10  o 87.37049 5.237250 160.7631       18.65067 159.7000       24.98871 162.1000       28.02344 86.05746 7.156076 86.14701 8.037064 -0.8955383E-01 10.76122 
1 1 1 15 4  11  o 20.11949 9.056709 -5.203775      15.67396 -5.943000      21.08122 -4.290000      23.43834 23.25726 10.48325 24.91666 11.15670 -1.659397      15.30917 
1 1 1 15 4  12  f 52.63785 8.102822 61.68740       16.90525 75.64000       23.08093 45.54000       24.83003 57.13081 10.24267 42.84135 13.01139 14.28945       16.55924 
1 1 1 15 4  13  o 52.31477 8.554654 61.76416       17.69254 73.39000       24.20214 48.42000       25.92909 55.54333 11.03043 43.72778 13.29942 11.81556       17.27845 
1 1 1 15 4  14  o 46.90190 12.68684 55.60000       24.94888 55.60000       24.94888 0.000000       0.000000 46.90190 12.68684 ?        ?        ?              ?        
1 1 1 15 4  15  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 4  16  o 36.11848 11.31612 32.14818       18.60799 32.14818       18.60799 0.000000       0.000000 36.11848 11.31612 ?        ?        ?              ?        
1 1 1 15 4  17  o 29.08687 9.882710 19.51161       14.05490 7.605442       17.43753 41.59000       23.74558 24.73248 10.32737 39.77318 12.82143 -15.04070      16.46340 
1 1 1 15 4  18  o 20.67218 9.891189 -22.14000      23.74353 -22.14000      23.74353 0.000000       0.000000 20.67218 9.891189 ?        ?        ?              ?        
1 1 1 15 4  19  o 42.17936 8.546699 42.22833       14.25494 27.26458       17.76647 69.27000       23.88348 32.78122 11.11155 51.60397 11.58730 -18.82275      16.05403 
1 1 1 15 4  20  o 30.36698 10.00439 22.99201       14.41742 22.80072       18.24546 23.31000       23.52485 30.33599 11.16610 31.05667 12.35322 -0.7206860     16.65184 
1 1 1 15 4  21  o 33.03868 10.03865 28.06970       14.77798 25.95675       18.97163 31.33000       23.56617 31.51330 11.41917 33.65251 12.63168 -2.139206      17.02812 
1 1 1 15 4  22  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 4  23  o 25.64222 10.46377 12.77723       17.35572 1.700000       24.52506 23.89000       24.56438 24.78670 11.22696 30.84994 12.50046 -6.063246      16.80197 
1 1 1 15 4  24  o 45.93238 10.09606 54.34812       18.46992 34.23000       26.18795 74.26000       26.05338 34.18193 13.19825 51.03286 12.55528 -16.85093      18.21617 
1 1 1 15 4  25  o 23.07700 9.702929 8.415473       15.55573 -12.19777      19.75889 42.02000       25.22831 19.56064 9.263138 36.62537 13.18198 -17.06474      16.11119 
1 1 1 15 4  26  o 21.74640 9.384253 5.824764       15.23034 -23.40052      19.19104 55.55000       25.03269 17.18378 8.380995 41.52699 13.14064 -24.34322      15.58581 
1 1 1 15 4  27  o 18.46953 8.539452 -4.421519      15.19140 -3.027039      19.34652 -6.664000      24.53359 20.77258 9.615685 22.00867 10.39226 -1.236088      14.15840 
1 1 1 15 5  -26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 5  -25 o 30.64510 10.93958 27.09590       17.33670 13.99768       20.76546 57.23000       31.49666 25.72348 11.02703 38.54933 14.57409 -12.82585      18.27565 
1 1 1 15 5  -24 o 22.84917 9.822483 7.506668       16.56359 8.846964       19.99558 4.576000       29.56766 24.36384 10.63097 25.87468 11.94559 -1.510838      15.99108 
1 1 1 15 5  -23 o 22.00672 9.621214 4.288247       16.44700 -0.7183541E-01 19.79448 14.01000       29.55759 22.20414 10.06877 28.27231 12.60289 -6.068171      16.13112 
1 1 1 15 5  -22 o 45.22248 9.500769 51.55004       17.03264 66.66746       20.73659 20.20000       29.86190 50.75456 10.32960 30.21713 13.08999 20.53743       16.67479 
1 1 1 15 5  -21 o 62.57187 8.416633 93.49630       21.01825 82.70000       28.24176 106.9000       31.46782 53.61890 12.99954 61.45321 12.91628 -7.834312      18.32534 
1 1 1 15 5  -20 o 25.13844 11.62005 -2.485000      28.10425 0.000000       0.000000 -2.485000      28.10425 ?        ?        25.13844 11.62005 ?              ?        
1 1 1 15 5  -19 o 48.39668 10.18945 59.84023       19.55303 87.83000       25.74242 21.67000       30.06160 57.63334 11.31222 30.95959 13.26955 26.67375       17.43695 
1 1 1 15 5  -18 o 54.29770 8.913290 71.17213       19.13025 74.86000       24.60029 65.53000       30.42799 52.92338 11.66652 45.80509 14.48685 7.118290       18.60045 
1 1 1 15 5  -17 f 28.49475 10.29526 19.21811       15.40656 32.38942       18.34286 -12.33000      28.38828 35.12184 11.26381 23.99294 11.28277 11.12890       15.94285 
1 1 1 15 5  -16 o 22.53585 9.487987 5.733617       14.90540 4.209284       17.71555 9.428000       27.57945 23.34292 10.09720 28.37807 12.43151 -5.035151      16.01549 
1 1 1 15 5  -15 o 32.03915 10.86787 25.10575       16.99603 41.40000       21.43256 -2.502000      27.89796 39.68301 12.09584 26.11967 11.88708 13.56334       16.95913 
1 1 1 15 5  -14 o 59.02950 7.401830 78.05574       17.49863 87.69000       22.19480 62.23000       28.44619 61.32795 9.115055 47.66475 13.79159 13.66320       16.53155 
1 1 1 15 5  -13 f 23.12926 9.459322 7.104949       14.22240 3.180409       16.83463 16.89000       26.58218 23.01497 9.898253 31.01927 12.83444 -8.004303      16.20797 
1 1 1 15 5  -12 o 104.4282 4.357554 229.1902       18.59215 239.0266       22.49721 208.0000       33.02022 106.0767 5.195259 96.10041 8.478174 9.976280       9.943347 
1 1 1 15 5  -11 o 29.02053 10.79981 17.53277       17.15186 17.53277       17.15186 0.000000       0.000000 29.02053 10.79981 ?        ?        ?              ?        
1 1 1 15 5  -10 o 24.56185 10.14002 7.255539       16.54250 7.255539       16.54250 0.000000       0.000000 24.56185 10.14002 ?        ?        ?              ?        
1 1 1 15 5  -9  o 37.74737 10.64426 34.04126       17.15911 34.04126       17.15911 0.000000       0.000000 37.74737 10.64426 ?        ?        ?              ?        
1 1 1 15 5  -8  o 71.08118 8.427098 112.6215       24.05106 50.61000       42.46896 141.9000       29.18164 44.03620 16.85773 79.32023 9.152288 -35.28403      19.18196 
1 1 1 15 5  -7  o 55.69947 6.681382 67.28674       14.93471 77.31303       18.12454 46.08000       26.35928 59.26601 7.646577 42.90658 13.47200 16.35943       15.49080 
1 1 1 15 5  -6  o 35.86693 9.515659 29.76172       14.20368 34.06887       17.35029 21.01000       24.73198 38.00250 10.69892 32.88739 12.79100 5.115105       16.67563 
1 1 1 15 5  -5  o 47.50442 7.707233 49.90463       14.47859 37.74658       17.43980 76.87000       25.97244 40.08506 10.50141 56.93582 11.53617 -16.85077      15.60009 
1 1 1 15 5  -4  o 19.35263 8.584738 -2.860284      13.54558 -12.18639      16.36767 17.41000       24.13052 18.80363 8.752163 31.59235 12.52901 -12.78872      15.28320 
1 1 1 15 5  -3  o 27.88183 9.767145 16.16326       13.76675 10.32907       16.64402 28.80000       24.49545 26.17562 10.39754 35.98576 12.98426 -9.810135      16.63430 
1 1 1 15 5  -2  o 43.22874 8.518092 41.98835       14.54138 35.81268       17.69580 54.83000       25.51750 39.10415 10.72928 47.38499 12.83616 -8.280842      16.72975 
1 1 1 15 5  -1  o 91.57613 4.706387 175.6177       17.58875 191.7652       21.81241 145.6000       29.73993 95.25935 5.616988 80.89330 9.138276 14.36605       10.72654 
1 1 1 15 5  0   o 109.3342 6.011018 253.5000       26.80738 253.5000       26.80738 0.000000       0.000000 109.3342 6.011018 ?        ?        ?              ?        
1 1 1 15 5  1   o 44.54486 8.639334 44.60726       15.18928 42.27813       18.50320 49.42000       26.59784 42.50269 10.65359 44.82359 13.43477 -2.320904      17.14619 
1 1 1 15 5  2   o 98.09753 4.500846 201.1034       18.03092 200.2071       22.29053 202.8000       30.66798 97.33138 5.616837 96.57061 7.822518 0.7607651      9.630194 
1 1 1 15 5  3   o 23.77601 9.658911 6.871357       14.70968 0.4745604      18.13604 19.17000       25.14721 23.40947 10.17068 32.55428 12.82785 -9.144812      16.37060 
1 1 1 15 5  4   o 33.96802 10.02483 26.55401       14.90021 16.22351       18.27044 47.07000       25.74747 29.27080 11.09234 43.72213 13.24349 -14.45133      17.27513 
1 1 1 15 5  5   o 58.13393 6.731719 73.08542       15.72853 67.93182       19.57653 82.47000       26.41727 54.90199 9.021145 59.17319 11.31505 -4.271202      14.47106 
1 1 1 15 5  6   o 96.89070 4.636475 196.7986       18.34139 204.2398       23.16659 184.3000       30.02418 98.07304 5.794662 91.61039 8.086855 6.462646       9.948634 
1 1 1 15 5  7   o 52.60175 7.592466 61.04968       15.88064 62.95250       20.13770 57.92000       25.82623 52.27109 9.767640 48.27252 12.84245 3.998569       16.13491 
1 1 1 15 5  8   o 130.1563 4.511929 354.9516       24.01013 381.9000       33.56160 326.7000       34.36352 133.7192 6.145926 123.0448 6.847406 10.67438       9.201053 
1 1 1 15 5  9   o 91.62720 4.781089 176.8129       17.87601 171.0758       22.64489 186.3000       29.12010 89.26166 6.234764 91.98267 7.805105 -2.721008      9.989592 
1 1 1 15 5  10  o 26.15893 10.07910 12.42388       15.24939 14.34379       19.43922 9.352000       24.58894 28.46911 11.25963 28.64516 12.12953 -0.1760540     16.55007 
1 1 1 15 5  11  o 78.65508 5.251365 131.5631       16.81622 119.9968       21.00657 152.2000       28.05962 74.03638 7.012838 82.29799 8.446342 -8.261604      10.97819 
1 1 1 15 5  12  o 29.56228 10.22598 19.69078       15.06570 17.56532       19.30694 23.00000       24.09074 29.50282 11.34792 32.67789 12.64764 -3.175072      16.99229 
1 1 1 15 5  13  f 21.47581 9.199802 2.589083       14.43541 0.2198454      18.48247 6.295000       23.11551 22.96016 10.11340 26.81426 11.56605 -3.854107      15.36406 
1 1 1 15 5  14  o 27.12737 9.958035 15.73649       14.49509 11.00390       18.68448 22.89000       22.97159 26.44368 10.83163 31.97367 12.35703 -5.529993      16.43230 
1 1 1 15 5  15  o 73.73347 8.510012 125.4000       25.22238 0.000000       0.000000 125.4000       25.22238 ?        ?        73.73347 8.510012 ?              ?        
1 1 1 15 5  16  o 63.14382 9.689444 96.22000       24.25391 0.000000       0.000000 96.22000       24.25391 ?        ?        63.14382 9.689444 ?              ?        
1 1 1 15 5  17  f 26.19538 11.46291 7.013000       23.39292 0.000000       0.000000 7.013000       23.39292 ?        ?        26.19538 11.46291 ?              ?        
1 1 1 15 5  18  o 46.57576 8.723191 52.33798       16.02520 51.63491       20.17463 53.54000       26.37920 44.10535 11.16296 42.40057 13.49812 1.704781       17.51602 
1 1 1 15 5  19  o 24.18620 9.802217 10.74137       15.10775 24.15647       19.38548 -10.01000      24.11032 30.65605 11.46698 22.30336 10.45965 8.352686       15.52082 
1 1 1 15 5  20  o 56.23779 13.87641 94.27000       31.75529 94.27000       31.75529 0.000000       0.000000 56.23779 13.87641 ?        ?        ?              ?        
1 1 1 15 5  21  o 69.61040 12.09546 131.8000       33.22581 131.8000       33.22581 0.000000       0.000000 69.61040 12.09546 ?        ?        ?              ?        
1 1 1 15 5  22  o 21.20684 9.765135 -4.733682      19.57601 -4.733682      19.57601 0.000000       0.000000 21.20684 9.765135 ?        ?        ?              ?        
1 1 1 15 5  23  o 17.83684 8.378252 -9.427827      15.57547 -5.864965      19.78146 -15.24000      25.26551 20.85417 9.677590 21.49029 10.26096 -0.6361141     14.10472 
1 1 1 15 5  24  o 76.77460 7.148322 138.0345       22.21402 140.6000       33.88023 136.1000       29.42045 69.78206 12.30671 71.72584 10.31342 -1.943779      16.05683 
1 1 1 15 5  25  o 21.95000 9.557781 6.077013       16.09070 21.52838       20.38846 -19.44000      26.20089 28.17196 11.39820 20.67993 10.01825 7.492029       15.17512 
1 1 1 15 5  26  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 6  -23 o 32.74221 11.13129 31.73487       17.83093 39.23140       21.70648 16.18000       31.26745 35.03158 12.26495 27.79804 12.62486 7.233538       17.60159 
1 1 1 15 6  -22 o 17.01464 8.202562 -16.84383      17.04232 -9.642362      20.49543 -32.98000      30.67937 20.09189 9.490611 20.83975 10.25262 -0.7478638     13.97097 
1 1 1 15 6  -21 o 23.37528 10.05443 7.707602       17.37403 -9.148986      20.91131 45.28000       31.21985 20.60567 9.687927 36.28399 14.29442 -15.67833      17.26807 
1 1 1 15 6  -20 o 24.03055 10.17271 8.955783       17.28723 17.89965       21.20787 -8.754000      29.84289 28.09830 11.52805 24.34384 11.48482 3.754459       16.27258 
1 1 1 15 6  -19 o 21.03976 9.448275 -0.5173770     16.94428 -0.4950673     20.51940 -0.5652000     30.04258 22.68575 10.27292 25.98507 12.01235 -3.299330      15.80599 
1 1 1 15 6  -18 f 25.63489 10.97306 10.01763       20.50773 10.01763       20.50773 0.000000       0.000000 25.63489 10.97306 ?        ?        ?              ?        
1 1 1 15 6  -17 o 40.98776 10.21482 43.55511       17.08179 37.40207       20.51826 57.45000       30.83353 36.50154 11.92992 41.98425 14.62330 -5.482704      18.87230 
1 1 1 15 6  -16 o 33.64346 10.73715 29.95205       16.68303 29.51085       20.03427 30.95000       30.13079 32.99397 11.76190 33.46506 13.73656 -0.4710960     18.08412 
1 1 1 15 6  -15 o 79.52657 5.659050 138.6665       18.30768 128.0995       21.98078 162.6000       33.08033 74.85831 7.262113 80.47937 10.27214 -5.621056      12.57995 
1 1 1 15 6  -14 o 41.41837 9.823362 43.01080       16.40640 62.19708       19.59672 -1.951000      29.99921 49.98615 9.924499 26.26451 12.09202 23.72164       15.64330 
1 1 1 15 6  -13 o 49.68501 8.145071 57.63255       15.99716 63.25383       18.91101 43.49000       29.99582 51.11905 9.380136 38.53148 14.29291 12.58757       17.09603 
1 1 1 15 6  -12 o 38.03312 9.880667 35.80721       15.52469 34.35603       18.40952 39.38000       28.88593 36.49607 11.22676 37.60166 14.01103 -1.105587      17.95408 
1 1 1 15 6  -11 o 48.67828 8.143332 54.70547       15.65873 54.90511       18.60174 54.22000       29.00798 47.55287 9.876515 43.61320 14.18021 3.939667       17.28074 
1 1 1 15 6  -10 o 86.64260 5.651375 161.7346       19.94038 169.1000       25.48202 150.1000       32.02676 87.28394 7.193564 79.36745 10.08197 7.916481       12.38521 
1 1 1 15 6  -9  o 24.81311 10.12789 9.080683       16.26419 10.54000       20.21869 6.405000       27.37761 26.91451 11.16981 28.28218 12.38781 -1.367668      16.68000 
1 1 1 15 6  -8  o 63.72593 6.928251 89.51180       17.78792 94.42000       22.59408 81.51000       28.84875 64.10533 8.842777 56.23412 12.81503 7.871208       15.56984 
1 1 1 15 6  -7  o 20.31118 8.970263 -1.277343      14.63137 -0.2180581     17.61191 -3.637000      26.28600 22.41996 9.874023 25.76218 11.65040 -3.342220      15.27181 
1 1 1 15 6  -6  o 37.81778 9.808207 34.10767       15.31504 38.21392       18.47258 25.08000       27.39005 39.46417 11.01415 34.02380 13.39357 5.440376       17.34069 
1 1 1 15 6  -5  o 39.40252 11.06859 38.04396       18.59140 38.04396       18.59140 0.000000       0.000000 39.40252 11.06859 ?        ?        ?              ?        
1 1 1 15 6  -4  o 37.06815 11.23613 33.50681       18.52908 33.50681       18.52908 0.000000       0.000000 37.06815 11.23613 ?        ?        ?              ?        
1 1 1 15 6  -3  o 28.55180 11.07631 15.49397       18.50888 15.49397       18.50888 0.000000       0.000000 28.55180 11.07631 ?        ?        ?              ?        
1 1 1 15 6  -2  o 25.04433 10.85156 3.038553       20.53142 12.99000       33.87643 -2.739000      25.81229 32.45208 13.99983 25.98053 11.66470 6.471546       18.22253 
1 1 1 15 6  -1  o 25.92155 10.05241 11.96457       15.24103 26.31826       18.76483 -15.86000      26.12624 33.52020 11.41868 23.47761 10.97068 10.04259       15.83483 
1 1 1 15 6  0   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15 6  1   o 65.77226 6.369503 93.65341       16.93983 102.1461       21.07732 78.16000       28.46861 67.88145 7.719971 55.72985 12.75216 12.15160       14.90690 
1 1 1 15 6  2   o 23.12512 9.668547 5.218409       15.31281 28.56602       19.04069 -37.53000      25.76448 34.61191 11.50073 19.96746 9.732521 14.64445       15.06615 
1 1 1 15 6  3   o 75.47391 5.565157 121.6678       17.07786 132.8852       21.50197 102.5000       28.10727 78.12196 6.789073 65.64051 10.83507 12.48145       12.78633 
1 1 1 15 6  4   o 63.59746 6.533736 87.99290       16.77303 83.88247       21.06155 95.12000       27.73342 60.74247 8.717332 62.85855 11.18493 -2.116085      14.18078 
1 1 1 15 6  5   o 19.30980 8.756308 -5.493011      14.97047 -4.063795      18.87187 -7.919000      24.58727 22.12198 9.949672 24.18454 11.06478 -2.062563      14.88037 
1 1 1 15 6  6   o 92.51958 4.782029 180.9071       18.05486 173.0053       22.73503 194.4000       29.70862 89.49541 6.243128 93.52988 7.829015 -4.034470      10.01350 
1 1 1 15 6  7   o 31.73797 11.53418 22.91566       19.37461 11.10000       31.16364 30.36000       24.73615 30.87772 13.37422 35.44055 13.00875 -4.562832      18.65736 
1 1 1 15 6  8   o 83.93910 6.326324 153.0018       21.58400 93.65000       33.18934 196.5000       28.41299 59.29702 13.91068 94.18789 7.427177 -34.89087      15.76927 
1 1 1 15 6  9   o 41.85052 10.70048 43.24650       18.40614 56.17000       30.01800 35.46000       23.30037 44.91398 14.40980 37.18978 12.72277 7.724201       19.22267 
1 1 1 15 6  10  o 25.29733 10.40700 9.402633       17.34409 30.59000       27.86453 -3.998000      22.16031 35.24762 13.61299 23.53936 10.66598 11.70827       17.29383 
1 1 1 15 6  11  o 32.01630 10.09937 24.99876       14.79701 21.62985       19.72956 29.33000       22.37066 30.66507 11.54765 34.12132 12.39487 -3.456251      16.94052 
1 1 1 15 6  12  o 44.67158 8.500435 46.96128       14.98089 51.45848       19.49131 40.47000       23.41723 45.15660 10.70529 38.57057 12.75200 6.586029       16.64983 
1 1 1 15 6  13  o 16.90555 7.977757 -11.92099      14.41741 -4.931170      18.64707 -22.31000      22.73340 21.16061 9.664068 19.91495 9.568210 1.245665       13.59944 
1 1 1 15 6  14  o 52.93372 7.627048 64.74334       16.05511 43.62523       20.37870 99.30000       26.06843 40.17047 11.68796 62.81225 10.50629 -22.64178      15.71593 
1 1 1 15 6  15  o 107.3699 5.415169 250.9515       23.73091 222.0000       35.15016 275.2000       32.16882 96.05379 9.043342 110.0200 7.179898 -13.96619      11.54699 
1 1 1 15 6  16  o 39.53885 11.31047 42.47802       19.23550 37.95000       28.98890 46.04000       25.71130 35.62603 13.85037 39.12628 13.36532 -3.500248      19.24745 
1 1 1 15 6  17  o 25.72772 10.82398 11.35768       19.37631 4.388000       30.09921 16.29000       25.32064 27.03568 12.32067 28.67541 12.23150 -1.639730      17.36112 
1 1 1 15 6  18  f 95.50873 6.058781 202.3876       23.57264 187.5000       35.19459 214.5000       31.74513 86.22677 10.16303 95.34996 8.210669 -9.123192      13.06531 
1 1 1 15 6  19  o 45.71065 9.306493 52.08408       16.82642 19.75992       21.20804 107.0000       27.64306 28.94689 11.65582 63.95375 10.94943 -35.00687      15.99213 
1 1 1 15 6  20  o 27.30137 10.43877 17.83502       16.27144 1.311279       20.76074 44.15000       26.19933 23.09619 10.40761 37.62645 13.44631 -14.53026      17.00358 
1 1 1 15 6  21  o 26.58163 10.45012 16.77100       16.65484 6.119500       21.62225 32.31000       26.11602 24.32475 10.81510 32.71697 13.01507 -8.392223      16.92213 
1 1 1 15 6  22  o 24.42089 10.60684 9.703361       19.71235 15.93000       30.39453 5.183000       25.89733 28.07217 12.62632 24.95387 11.39357 3.118305       17.00698 
1 1 1 15 6  23  o 20.48817 9.590119 -5.828511      20.10613 -1.303000      31.81439 -8.838000      25.94396 24.89430 11.77860 22.11371 10.51330 2.780584       15.78812 
1 1 1 15 7  -21 f 32.56729 11.24084 31.86974       18.20052 45.33169       22.05025 3.091000       32.24002 37.45048 12.37390 25.52327 12.00910 11.92721       17.24332 
1 1 1 15 7  -20 o 26.04750 10.58358 16.37552       17.66456 7.600286       21.40366 35.12000       31.28207 24.11571 10.73890 32.20235 13.66041 -8.086645      17.37615 
1 1 1 15 7  -19 o 24.62169 10.37397 11.59689       17.84050 5.277215       21.60822 25.13000       31.62063 23.87031 10.69841 30.37197 13.30790 -6.501663      17.07502 
1 1 1 15 7  -18 o 44.05427 11.90285 56.03336       21.97584 56.03336       21.97584 0.000000       0.000000 44.05427 11.90285 ?        ?        ?              ?        
1 1 1 15 7  -17 o 63.50343 7.413786 93.96375       18.91571 92.08411       22.86469 98.04000       33.67123 60.62343 9.524573 55.55676 14.60961 5.066669       17.44014 
1 1 1 15 7  -16 o 49.86458 9.197330 61.55349       18.08756 47.69838       21.94103 90.94000       31.95405 40.80770 12.19535 54.38464 14.19877 -13.57694      18.71715 
1 1 1 15 7  -15 o 23.55377 10.03316 7.389405       16.99597 5.232471       20.54904 12.06000       30.23843 24.23285 10.66930 28.61003 12.75072 -4.377172      16.62573 
1 1 1 15 7  -14 o 51.25354 8.728857 63.62420       17.66323 72.50154       21.46955 45.03000       31.07206 53.32855 10.20355 37.61243 14.41422 15.71613       17.66018 
1 1 1 15 7  -13 o 31.03638 10.83564 25.10122       16.93495 23.42413       20.76734 28.43000       29.25807 30.37198 11.74620 32.60573 13.47544 -2.233749      17.87626 
1 1 1 15 7  -12 o 37.93986 10.60700 38.01064       17.11627 35.33603       21.19878 43.02000       29.01159 35.47276 12.13544 37.32796 14.01445 -1.855202      18.53844 
1 1 1 15 7  -11 o 41.67542 10.06433 44.40566       16.97926 49.69741       20.98722 34.38000       28.88763 42.63039 11.67968 34.64261 13.71810 7.987778       18.01669 
1 1 1 15 7  -10 o 28.65207 10.59013 19.73443       16.44075 14.30459       20.16819 30.49000       28.38506 27.18286 11.20657 33.61309 13.50205 -6.430235      17.54687 
1 1 1 15 7  -9  o 31.93017 10.60666 25.97154       16.19555 23.58395       19.98444 30.54000       27.64377 30.85139 11.62109 33.86372 13.41638 -3.012329      17.74962 
1 1 1 15 7  -8  o 80.61613 5.348242 140.6974       17.55476 120.8908       21.42998 181.1000       30.60704 73.06527 7.258746 87.88549 8.615692 -14.82022      11.26586 
1 1 1 15 7  -7  o 33.01720 10.29480 27.37895       15.42001 28.80376       19.35051 24.90000       25.52394 33.44512 11.58826 32.24104 12.85322 1.204082       17.30586 
1 1 1 15 7  -6  o 20.31137 8.989999 -0.4724479     14.77359 2.556447       18.40517 -5.959000      24.77123 23.17146 10.15294 23.94192 11.01006 -0.7704620     14.97677 
1 1 1 15 7  -5  o 59.03387 6.731045 77.59737       15.98042 68.93974       20.00582 92.86000       26.56266 53.61487 9.458286 60.84430 11.06937 -7.229427      14.55988 
1 1 1 15 7  -4  o 26.34192 10.04139 14.28403       15.02670 19.87465       19.03544 5.039000       24.47862 29.74496 11.31049 26.49693 11.65626 3.248034       16.24179 
1 1 1 15 7  -3  o 93.08699 5.471749 186.6173       20.76443 214.5000       29.35626 158.7000       29.37443 97.89390 7.377831 82.66480 8.813881 15.22910       11.49421 
1 1 1 15 7  -2  o 62.83783 7.425177 88.84782       18.73663 87.15000       26.40375 90.57000       26.59244 58.91824 11.35611 60.24888 11.19103 -1.330643      15.94366 
1 1 1 15 7  -1  o 31.69064 11.65371 23.79468       19.86604 14.16000       33.77746 28.89000       24.56372 31.54085 13.78876 34.18065 12.88201 -2.639797      18.86998 
1 1 1 15 7  0   f 39.60655 11.56081 40.32850       19.90942 15.07000       30.96984 58.12000       25.99211 31.11551 13.40420 46.33988 13.11203 -15.22437      18.75095 
1 1 1 15 7  1   o 30.40139 11.45247 20.93202       19.40953 52.26000       30.54880 -0.2759000     25.13489 42.70681 14.56894 25.60196 11.50138 17.10485       18.56167 
1 1 1 15 7  2   o 40.25804 14.50310 45.83000       30.54700 45.83000       30.54700 0.000000       0.000000 40.25804 14.50310 ?        ?        ?              ?        
1 1 1 15 7  3   o 24.89350 10.64985 6.338445       19.29811 6.338445       19.29811 0.000000       0.000000 24.89350 10.64985 ?        ?        ?              ?        
1 1 1 15 7  4   o 40.43716 11.58943 42.49465       20.17751 42.49465       20.17751 0.000000       0.000000 40.43716 11.58943 ?        ?        ?              ?        
1 1 1 15 7  5   o 46.15099 8.520726 50.01172       15.50904 50.05703       19.81039 49.94000       24.92694 44.35506 10.96942 42.54291 13.05952 1.812149       17.05518 
1 1 1 15 7  6   o 31.58228 10.27493 24.61809       15.22908 3.991810       19.62380 55.85000       24.14749 24.14576 10.53381 45.35887 12.56802 -21.21311      16.39867 
1 1 1 15 7  7   o 40.54586 9.606933 40.48729       15.70377 38.78135       20.22054 43.08000       24.92806 38.16945 11.77039 39.17354 13.16192 -1.004089      17.65725 
1 1 1 15 7  8   o 27.27140 10.26353 16.57242       15.58044 7.417240       20.14827 30.19000       24.57277 25.20780 10.83484 33.87276 12.85759 -8.664963      16.81402 
1 1 1 15 7  9   o 35.19278 10.44573 31.88628       16.14014 32.82365       20.58397 30.39000       26.00650 34.90490 11.95769 33.75563 13.11987 1.149273       17.75154 
1 1 1 15 7  10  o 39.75198 10.06547 40.31777       16.39768 44.22040       20.90072 34.07000       26.44511 40.09163 11.88357 34.78707 13.30617 5.304562       17.84022 
1 1 1 15 7  11  o 61.01440 6.937059 84.65536       17.02398 78.02928       21.68067 95.31000       27.49247 55.93290 9.824621 59.85400 11.63671 -3.921097      15.22945 
1 1 1 15 7  12  o 60.43091 7.064978 83.54201       17.15259 79.58221       22.05006 89.61000       27.29583 56.27621 9.931826 57.39190 12.00169 -1.115696      15.57824 
1 1 1 15 7  13  o 29.88218 10.67851 22.75475       16.52351 5.416347       21.21376 49.50000       26.34732 24.54960 10.82337 40.26653 13.53144 -15.71692      17.32759 
1 1 1 15 7  14  o 53.95127 7.918647 68.56193       16.97318 57.37786       21.47001 87.20000       27.71614 46.01317 11.44317 55.97127 12.41810 -9.958096      16.88654 
1 1 1 15 7  15  o 17.06681 8.162455 -15.55177      16.13037 -24.00706      20.64983 -2.317000      25.83511 18.24785 8.852724 24.37495 11.22186 -6.127102      14.29338 
1 1 1 15 7  16  o 57.95279 7.594847 78.47034       17.58931 72.70154       22.39902 87.75000       28.40875 52.66464 10.75104 55.45369 12.77436 -2.789047      16.69638 
1 1 1 15 7  17  o 35.06453 12.40172 35.94061       22.23395 35.94061       22.23395 0.000000       0.000000 35.06453 12.40172 ?        ?        ?              ?        
1 1 1 15 7  18  o 45.59033 9.641938 53.60379       17.43638 50.63086       22.53379 58.04000       27.52628 41.13078 12.37449 42.05594 13.82202 -0.9251595     18.55199 
1 1 1 15 7  19  o 27.90836 10.66183 20.32416       16.96487 23.70893       21.68159 14.98000       27.24374 29.43538 11.80856 27.54127 12.19818 1.894114       16.97757 
1 1 1 15 7  20  o 20.02210 9.172824 -2.009331      16.97413 -18.85709      21.82702 23.77000       26.99972 19.01117 9.193955 29.26247 12.55950 -10.25130      15.56502 
1 1 1 15 7  21  f 21.04403 9.448669 2.331378       16.93813 -11.22159      21.66909 23.62000       27.15796 20.05813 9.556398 28.93431 12.50878 -8.876181      15.74149 
1 1 1 15 8  -18 o 27.96993 13.09318 14.10000       37.48942 14.10000       37.48942 0.000000       0.000000 27.96993 13.09318 ?        ?        ?              ?        
1 1 1 15 8  -17 o 36.36853 11.36050 39.49122       18.76868 48.48420       23.21715 22.53000       31.88495 38.58958 12.69468 29.19908 13.04783 9.390505       18.20442 
1 1 1 15 8  -16 o 34.93008 11.24787 35.73027       18.27803 23.67404       22.35563 60.04000       31.74470 29.24261 11.89718 39.90863 14.72177 -10.66602      18.92811 
1 1 1 15 8  -15 o 21.52166 9.675221 1.256460       17.82211 -31.72830      21.72891 69.06000       31.15354 17.42268 8.582560 44.20424 14.71151 -26.78156      17.03199 
1 1 1 15 8  -14 o 23.43990 10.04780 7.844363       17.24015 9.627373       21.10853 4.272000       29.87851 25.21055 10.96268 26.30061 12.09371 -1.090052      16.32293 
1 1 1 15 8  -13 o 52.49217 8.816623 67.56976       18.27937 51.40810       22.21014 101.5000       32.18118 42.20187 12.17911 58.01912 13.75622 -15.81725      18.37292 
1 1 1 15 8  -12 o 18.36395 8.647541 -10.89322      16.77746 -11.84718      20.65270 -9.042000      28.77022 20.24703 9.552685 24.05382 11.32600 -3.806793      14.81662 
1 1 1 15 8  -11 f 31.90955 11.05149 27.10360       17.59860 12.07851       21.79946 55.22000       29.82064 26.56925 11.34162 41.30109 14.38137 -14.73184      18.31546 
1 1 1 15 8  -10 o 22.48822 10.28872 -2.869033      21.25941 21.67000       31.89826 -22.48000      28.51594 31.07106 13.49402 22.06244 10.62958 9.008623       17.17779 
1 1 1 15 8  -9  o 36.50414 12.19944 37.86038       21.41865 63.80000       33.08731 19.15000       28.10095 43.54625 15.14948 29.94016 12.83101 13.60609       19.85300 
1 1 1 15 8  -8  o 22.76513 10.29976 -0.5297982     20.57248 17.74000       31.41984 -14.24000      27.21818 30.13696 13.23344 22.79296 10.81664 7.343998       17.09163 
1 1 1 15 8  -7  o 28.53713 11.49455 18.59684       20.63246 24.01000       31.20042 14.39000       27.50510 31.59075 13.52886 28.61971 12.47855 2.971039       18.40501 
1 1 1 15 8  -6  o 29.37927 10.68782 21.67551       16.64143 21.91482       21.18613 21.29000       26.88968 29.85594 11.77130 30.37507 12.76338 -0.5191345     17.36282 
1 1 1 15 8  -5  f 48.29216 8.812660 56.68474       16.78451 48.20112       21.23771 70.80000       27.39437 41.61794 11.87788 49.10156 13.29930 -7.483620      17.83130 
1 1 1 15 8  -4  o 45.09087 9.461562 50.68484       16.91126 51.31762       21.35277 49.62000       27.69936 43.17202 11.76180 40.09038 13.86590 3.081642       18.18249 
1 1 1 15 8  -3  o 42.35722 9.880342 45.55651       16.82096 36.51873       21.12846 61.20000       27.79737 36.11248 12.11724 44.88295 13.79337 -8.770477      18.35986 
1 1 1 15 8  -2  o 20.12115 9.139766 -3.228135      16.39551 -14.18948      20.57326 15.85000       27.14184 19.92572 9.440763 29.08546 12.53924 -9.159737      15.69587 
1 1 1 15 8  -1  o 60.84476 12.63627 102.5000       30.45181 0.000000       0.000000 102.5000       30.45181 ?        ?        60.84476 12.63627 ?              ?        
1 1 1 15 8  0   o 35.30088 10.77581 32.96949       17.00174 25.16043       21.26662 46.80000       28.30207 31.26142 11.93864 39.00662 13.97134 -7.745199      18.37742 
1 1 1 15 8  1   o 34.08860 10.71759 30.61263       16.67712 33.36894       20.91450 25.80000       27.63596 34.74795 12.04705 31.95102 13.13969 2.796930       17.82646 
1 1 1 15 8  2   o 28.78251 10.65082 20.21224       16.63834 29.34053       21.05814 5.045000       27.14430 32.95068 12.01737 26.50045 11.92468 6.450233       16.92971 
1 1 1 15 8  3   o 49.52777 9.076488 59.96269       17.72921 51.87709       22.59692 72.91000       28.59452 42.93715 12.25133 49.51049 13.66030 -6.573345      18.34936 
1 1 1 15 8  4   o 41.73449 11.57183 47.66582       20.46330 51.33000       30.23857 44.57000       27.79460 40.10030 14.43181 38.13344 13.82121 1.966858       19.98257 
1 1 1 15 8  5   f 65.58278 8.325746 102.0873       21.85503 122.2000       32.95097 86.29000       29.20273 66.49907 12.56144 54.71902 13.18919 11.78005       18.21385 
1 1 1 15 8  6   o 68.81002 7.839957 110.7088       21.69613 118.6000       32.69563 104.5000       29.00141 65.25401 12.69360 62.31585 11.79758 2.938156       17.32946 
1 1 1 15 8  7   o 84.30113 6.833785 161.0732       23.38742 127.4000       34.40481 190.0000       31.88802 67.25681 12.96275 88.73436 8.896156 -21.47755      15.72179 
1 1 1 15 8  8   o 69.68423 6.468374 109.1660       18.24601 117.8315       23.13915 94.92000       29.66875 70.64297 8.148482 57.92295 12.84577 12.72001       15.21221 
1 1 1 15 8  9   o 27.89749 11.60048 16.04910       21.86863 16.04910       21.86863 0.000000       0.000000 27.89749 11.60048 ?        ?        ?              ?        
1 1 1 15 8  10  o 26.88549 11.39313 13.02588       21.72172 13.02588       21.72172 0.000000       0.000000 26.88549 11.39313 ?        ?        ?              ?        
1 1 1 15 8  11  f 26.34278 11.28990 11.35747       21.75807 11.35747       21.75807 0.000000       0.000000 26.34278 11.28990 ?        ?        ?              ?        
1 1 1 15 8  12  o 66.83139 6.881612 102.0020       18.56306 79.32262       23.08484 143.5000       31.22664 55.19851 10.59872 74.65920 10.50460 -19.46069      14.92245 
1 1 1 15 8  13  o 26.27980 10.48825 15.19073       17.01397 2.608204       21.79955 34.80000       27.21412 23.79115 10.69759 34.05909 13.36770 -10.26793      17.12115 
1 1 1 15 8  14  o 18.57279 8.728582 -9.592539      16.94450 -13.04553      21.39551 -3.783000      27.75210 20.15755 9.572959 24.24668 11.32243 -4.089130      14.82697 
1 1 1 15 8  15  o 22.36798 9.811304 5.030217       17.22830 -6.352824      21.87159 23.64000       27.96546 21.46873 10.03385 29.95181 12.81723 -8.483082      16.27757 
1 1 1 15 8  16  o 38.72132 11.02432 42.97895       18.31701 13.57809       22.89841 95.22000       30.52328 26.21911 11.40943 54.48517 13.69793 -28.26606      17.82718 
1 1 1 15 8  17  o 50.21384 9.338869 65.62069       18.49526 43.66067       23.36162 102.5000       30.27457 36.42456 12.72599 57.10843 13.20951 -20.68386      18.34235 
1 1 1 15 8  18  o 27.14338 10.71804 19.67656       17.58831 12.38587       22.54272 31.02000       28.11865 25.42835 11.18602 30.88895 13.01972 -5.460600      17.16509 
1 1 1 15 9  -14 o 18.41332 9.004196 -24.62200      22.57467 -24.62200      22.57467 0.000000       0.000000 18.41332 9.004196 ?        ?        ?              ?        
1 1 1 15 9  -13 o 28.31969 11.85913 21.76162       23.09266 21.76162       23.09266 0.000000       0.000000 28.31969 11.85913 ?        ?        ?              ?        
1 1 1 15 9  -12 o 25.41310 11.17927 11.35369       22.51530 11.35369       22.51530 0.000000       0.000000 25.41310 11.17927 ?        ?        ?              ?        
1 1 1 15 9  -11 o 19.65617 9.172856 -6.479053      18.16692 -18.29181      22.22434 17.31000       31.53855 19.39464 9.354191 28.51170 12.83962 -9.117054      15.88574 
1 1 1 15 9  -10 o 50.75473 9.545624 66.33533       19.11036 53.99548       23.52309 90.29000       32.77440 41.84300 12.65516 51.45985 14.77744 -9.616852      19.45574 
1 1 1 15 9  -9  o 61.11222 7.794093 89.11937       19.06052 73.66771       23.47706 119.0000       32.64757 51.45251 11.43941 63.46945 12.99977 -12.01693      17.31629 
1 1 1 15 9  -8  o 41.42891 10.60721 46.37027       18.06955 62.42970       22.76921 19.05000       29.69788 46.87272 11.85671 29.41601 12.89277 17.45672       17.51586 
1 1 1 15 9  -7  o 32.17834 11.11048 28.35488       17.78142 21.73959       22.34750 39.77000       29.35588 29.44693 11.92629 35.35254 13.88124 -5.905611      18.30096 
1 1 1 15 9  -6  o 39.92741 10.74767 42.93846       17.95765 40.08166       22.69682 47.72000       29.36358 36.80690 12.55776 38.26349 14.15103 -1.456585      18.91954 
1 1 1 15 9  -5  o 35.49463 11.00790 34.39292       17.65638 21.37124       22.22922 56.65000       29.06195 29.51350 11.91572 41.79879 14.21087 -12.28529      18.54543 
1 1 1 15 9  -4  o 29.40991 10.96675 22.01187       17.70347 5.441561       22.23177 50.73000       29.26758 24.76382 10.99087 39.57549 14.20376 -14.81167      17.95957 
1 1 1 15 9  -3  o 27.54746 10.77222 17.66273       17.61764 11.92304       22.19015 27.45000       28.97657 26.56416 11.39344 32.08822 13.34904 -5.524059      17.55014 
1 1 1 15 9  -2  o 30.97367 11.15229 25.29823       18.05948 21.10898       22.43983 33.00000       30.42613 29.55665 11.95807 33.74757 13.82264 -4.190914      18.27733 
1 1 1 15 9  -1  o 32.69435 12.38456 29.60375       22.76966 29.60375       22.76966 0.000000       0.000000 32.69435 12.38456 ?        ?        ?              ?        
1 1 1 15 9  0   f 48.58191 9.726958 59.60161       18.67430 30.79401       23.36059 110.6000       31.08196 33.13803 12.54615 63.00493 12.48931 -29.86690      17.70279 
1 1 1 15 9  1   o 33.20156 11.22332 29.90379       18.12507 31.79034       22.49240 26.41000       30.60912 33.57420 12.39080 31.97977 13.53697 1.594437       18.35161 
1 1 1 15 9  2   o 20.66197 9.393307 -2.652342      17.36283 7.176703       21.91372 -19.23000      28.45915 25.16492 11.05088 22.42419 10.75591 2.740730       15.42114 
1 1 1 15 9  3   o 23.35151 10.07881 6.313233       17.57476 6.907938       22.10748 5.292000       28.97016 25.13627 11.06679 26.75978 12.15289 -1.623507      16.43674 
1 1 1 15 9  4   o 25.82907 10.45896 13.69934       17.18297 2.245275       21.70302 32.94000       28.12875 23.77106 10.68243 33.64647 13.46642 -9.875410      17.18892 
1 1 1 15 9  5   o 37.20663 11.11384 37.96627       18.22537 29.73378       22.93882 52.06000       30.01362 32.59377 12.41080 39.77858 14.36991 -7.184811      18.98742 
1 1 1 15 9  6   o 51.39863 9.124062 65.47517       18.49946 56.77422       23.18251 80.73000       30.69594 44.35377 12.32375 50.61264 14.22426 -6.258865      18.82032 
1 1 1 15 9  7   o 25.10504 10.96349 8.506527       21.30422 45.89000       32.13763 -20.80000      28.45484 36.90685 14.51422 21.99649 10.60293 14.91035       17.97456 
1 1 1 15 9  8   o 51.75277 9.008088 66.67759       18.39627 37.84687       22.75313 121.1000       31.26096 35.43726 12.54455 65.82581 12.04156 -30.38855      17.38865 
1 1 1 15 9  9   o 27.99904 10.84851 19.88440       17.73884 16.65788       22.47108 25.22000       28.89675 27.47864 11.61357 30.62085 13.06419 -3.142206      17.47993 
1 1 1 15 9  10  o 33.16306 11.16877 31.40630       17.94933 24.60761       22.85053 42.36000       29.00441 29.91344 12.07970 35.37439 13.82500 -5.460949      18.35892 
1 1 1 15 9  11  o 22.59338 10.30592 1.022921       21.12342 42.26000       31.91336 -31.13000      28.17986 34.48219 14.14368 20.14949 9.895687 14.33270       17.26176 
1 1 1 15 9  12  o 42.19894 12.24819 54.88333       22.40377 44.95000       33.67659 62.77000       30.00734 34.58440 14.38952 41.33797 14.42426 -6.753571      20.37444 
1 1 1 15 9  13  o 29.60485 11.88298 25.72040       21.96819 38.89000       32.13808 14.17000       30.09763 32.89432 13.89493 27.23072 12.37476 5.663595       18.60655 
1 1 1 15 9  14  o 39.20338 12.28932 49.03579       21.94324 35.73000       34.21752 58.33000       28.59794 31.76649 13.88304 39.71133 14.06318 -7.944841      19.76137 
1 1 1 15 10 -8  f 21.86142 10.20344 -3.026953      22.49152 -3.026953      22.49152 0.000000       0.000000 21.86142 10.20344 ?        ?        ?              ?        
1 1 1 15 10 -7  o 34.49300 12.84369 40.13413       24.26488 40.13413       24.26488 0.000000       0.000000 34.49300 12.84369 ?        ?        ?              ?        
1 1 1 15 10 -6  o 21.62488 10.16673 -5.693827      23.02544 -5.693827      23.02544 0.000000       0.000000 21.62488 10.16673 ?        ?        ?              ?        
1 1 1 15 10 -5  o 38.34879 13.04584 49.33729       24.49266 49.33729       24.49266 0.000000       0.000000 38.34879 13.04584 ?        ?        ?              ?        
1 1 1 15 10 -4  o 57.45747 8.862511 83.72595       20.18130 64.39904       24.43522 125.2000       35.79507 45.25069 12.68167 61.06336 14.52788 -15.81268      19.28429 
1 1 1 15 10 -3  o 21.55255 9.745646 1.514562       18.38773 5.407929       23.10176 -5.216000      30.37442 24.07635 10.90165 24.09011 11.43059 -0.1375961E-01 15.79571 
1 1 1 15 10 -2  o 27.75685 11.04617 20.36224       18.81918 41.52077       23.30338 -19.31000      31.90947 35.73703 12.69096 22.64699 10.99107 13.09004       16.78881 
1 1 1 15 10 -1  o 38.38306 11.39452 43.44559       19.20407 29.18039       23.61646 71.29000       32.99477 31.00232 12.36221 43.02892 15.11714 -12.02660      19.52825 
1 1 1 15 10 0   o 32.21897 11.43967 30.75042       18.93389 12.35457       23.22436 67.21000       32.69563 25.87723 11.36970 41.77139 15.01002 -15.89416      18.83005 
1 1 1 15 10 1   o 47.56650 10.07310 60.74569       19.00794 59.38522       23.74987 63.17000       31.70377 43.56048 12.60115 40.79179 14.76447 2.768688       19.41078 
1 1 1 15 10 2   o 29.40898 11.27849 24.46784       19.03270 18.79251       23.35465 35.69000       32.84096 27.64902 11.76884 32.37108 13.87187 -4.722057      18.19160 
1 1 1 15 10 3   o 21.53378 9.751927 1.278571       18.49466 -8.114594      22.76162 19.53000       31.72821 21.19636 10.00907 28.69735 12.90454 -7.500988      16.33121 
1 1 1 15 10 4   o 19.22486 9.058450 -8.616058      18.46010 -4.772899      23.00824 -15.56000      30.92731 21.87781 10.24650 22.76298 10.99261 -0.8851700     15.02758 
1 1 1 15 10 5   o 34.46675 11.43612 35.79875       18.82897 37.09665       23.55214 33.50000       31.34398 33.68548 12.63130 31.66790 13.56088 2.017582       18.53233 
1 1 1 15 10 6   o 27.44313 10.96474 20.07122       18.61579 9.217175       23.36892 38.92000       30.79531 24.89465 11.14400 33.00233 13.74806 -8.107681      17.69740 
1 1 1 15 10 7   o 30.61891 11.23008 27.75545       18.42859 31.67645       23.19916 21.05000       30.33806 31.54348 12.35359 28.57575 12.75119 2.967730       17.75399 
1 1 1 15 10 8   f 36.45378 12.89223 45.11871       24.02716 45.11871       24.02716 0.000000       0.000000 36.45378 12.89223 ?        ?        ?              ?        
1 1 1 16 0  -30 o 13.99209 10.07391 -36.17000      28.55545 -36.17000      28.55545 -36.17000      28.55545 13.99209 10.07391 13.99209 10.07391 0.000000       0.000000 
1 1 1 16 0  -29 o 22.42865 14.33221 15.61000       29.37349 15.61000       29.37349 15.61000       29.37349 22.42865 14.33221 22.42865 14.33221 0.000000       0.000000 
1 1 1 16 0  -28 o 25.84059 15.42567 26.19000       28.84959 26.19000       28.84959 26.19000       28.84959 25.84059 15.42567 25.84059 15.42567 0.000000       0.000000 
1 1 1 16 0  -27 o 17.33069 11.95954 -11.33000      28.43620 -11.33000      28.43620 -11.33000      28.43620 17.33069 11.95954 17.33069 11.95954 0.000000       0.000000 
1 1 1 16 0  -26 o 17.91948 12.21016 -6.285000      27.58735 -6.285000      27.58735 -6.285000      27.58735 17.91948 12.21016 17.91948 12.21016 0.000000       0.000000 
1 1 1 16 0  -25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 0  -24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 0  -23 o 18.35632 12.46263 -6.983000      28.20425 -6.983000      28.20425 -6.983000      28.20425 18.35632 12.46263 18.35632 12.46263 0.000000       0.000000 
1 1 1 16 0  -22 o 57.68459 15.21219 89.81000       31.04337 89.81000       31.04337 89.81000       31.04337 57.68459 15.21219 57.68459 15.21219 0.000000       0.000000 
1 1 1 16 0  -21 o 56.40445 15.77558 87.01000       31.52737 87.01000       31.52737 87.01000       31.52737 56.40445 15.77558 56.40445 15.77558 0.000000       0.000000 
1 1 1 16 0  -20 o 15.53170 11.02866 -33.68000      29.79367 -33.68000      29.79367 -33.68000      29.79367 15.53170 11.02866 15.53170 11.02866 0.000000       0.000000 
1 1 1 16 0  -19 o 28.65836 16.61867 27.51000       31.84488 27.51000       31.84488 27.51000       31.84488 28.65836 16.61867 28.65836 16.61867 0.000000       0.000000 
1 1 1 16 0  -18 o 32.88866 17.73864 38.34000       33.17210 38.34000       33.17210 38.34000       33.17210 32.88866 17.73864 32.88866 17.73864 0.000000       0.000000 
1 1 1 16 0  -17 o 73.43283 15.32484 133.3000       40.61718 133.3000       40.61718 133.3000       40.61718 73.43283 15.32484 73.43283 15.32484 0.000000       0.000000 
1 1 1 16 0  -16 o 21.94256 14.51609 -2.403000      34.02547 -2.403000      34.02547 -2.403000      34.02547 21.94256 14.51609 21.94256 14.51609 0.000000       0.000000 
1 1 1 16 0  -15 o 41.95871 19.35822 58.95000       36.57183 58.95000       36.57183 58.95000       36.57183 41.95871 19.35822 41.95871 19.35822 0.000000       0.000000 
1 1 1 16 0  -14 o 19.65754 13.49897 -19.50000      35.19530 -19.50000      35.19530 -19.50000      35.19530 19.65754 13.49897 19.65754 13.49897 0.000000       0.000000 
1 1 1 16 0  -13 o 165.3357 7.490107 573.2000       50.47063 573.2000       50.47063 573.2000       50.47063 165.3357 7.490107 165.3357 7.490107 0.000000       0.000000 
1 1 1 16 0  -12 o 15.99628 11.48632 -56.04000      36.04885 -56.04000      36.04885 -56.04000      36.04885 15.99628 11.48632 15.99628 11.48632 0.000000       0.000000 
1 1 1 16 0  -11 o 19.02426 13.22581 -28.66000      36.44771 -28.66000      36.44771 -28.66000      36.44771 19.02426 13.22581 19.02426 13.22581 0.000000       0.000000 
1 1 1 16 0  -10 o 93.29267 11.45541 191.6000       41.99509 191.6000       41.99509 191.6000       41.99509 93.29267 11.45541 93.29267 11.45541 0.000000       0.000000 
1 1 1 16 0  -9  f 111.2890 9.803298 265.0000       43.84034 265.0000       43.84034 265.0000       43.84034 111.2890 9.803298 111.2890 9.803298 0.000000       0.000000 
1 1 1 16 0  -8  o 33.05933 18.69698 33.45000       38.87747 33.45000       38.87747 33.45000       38.87747 33.05933 18.69698 33.05933 18.69698 0.000000       0.000000 
1 1 1 16 0  -7  o 133.0260 8.687831 372.6000       46.85354 372.6000       46.85354 372.6000       46.85354 133.0260 8.687831 133.0260 8.687831 0.000000       0.000000 
1 1 1 16 0  -6  o 37.41328 19.48297 45.39000       38.87278 45.39000       38.87278 45.39000       38.87278 37.41328 19.48297 37.41328 19.48297 0.000000       0.000000 
1 1 1 16 0  -5  o 62.08246 18.90721 102.2000       41.96193 102.2000       41.96193 102.2000       41.96193 62.08246 18.90721 62.08246 18.90721 0.000000       0.000000 
1 1 1 16 0  -4  o 63.27048 18.24348 103.8000       40.98808 103.8000       40.98808 103.8000       40.98808 63.27048 18.24348 63.27048 18.24348 0.000000       0.000000 
1 1 1 16 0  -3  o 61.51377 18.41567 99.29000       40.39552 99.29000       40.39552 99.29000       40.39552 61.51377 18.41567 61.51377 18.41567 0.000000       0.000000 
1 1 1 16 0  -2  o 169.8052 7.668986 600.1000       53.07448 600.1000       53.07448 600.1000       53.07448 169.8052 7.668986 169.8052 7.668986 0.000000       0.000000 
1 1 1 16 0  -1  o 64.18105 18.11584 105.8000       41.21889 105.8000       41.21889 105.8000       41.21889 64.18105 18.11584 64.18105 18.11584 0.000000       0.000000 
1 1 1 16 0  0   o 124.6457 9.395259 328.3000       47.31087 328.3000       47.31087 328.3000       47.31087 124.6457 9.395259 124.6457 9.395259 0.000000       0.000000 
1 1 1 16 0  1   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 0  2   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 0  3   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 0  4   o 68.88505 18.98096 121.7000       46.29354 121.7000       46.29354 121.7000       46.29354 68.88505 18.98096 68.88505 18.98096 0.000000       0.000000 
1 1 1 16 0  5   o 172.0933 7.315151 615.9000       51.33561 615.9000       51.33561 615.9000       51.33561 172.0933 7.315151 172.0933 7.315151 0.000000       0.000000 
1 1 1 16 0  6   o 116.7374 8.951928 288.3000       42.19722 288.3000       42.19722 288.3000       42.19722 116.7374 8.951928 116.7374 8.951928 0.000000       0.000000 
1 1 1 16 0  7   o 157.6806 7.299072 518.0000       46.89629 518.0000       46.89629 518.0000       46.89629 157.6806 7.299072 157.6806 7.299072 0.000000       0.000000 
1 1 1 16 0  8   o 187.8842 6.836968 733.1000       52.44083 733.1000       52.44083 733.1000       52.44083 187.8842 6.836968 187.8842 6.836968 0.000000       0.000000 
1 1 1 16 0  9   f 44.93354 18.56796 61.33000       33.90184 61.33000       33.90184 61.33000       33.90184 44.93354 18.56796 44.93354 18.56796 0.000000       0.000000 
1 1 1 16 0  10  o 82.85315 10.77306 151.3000       34.84454 151.3000       34.84454 151.3000       34.84454 82.85315 10.77306 82.85315 10.77306 0.000000       0.000000 
1 1 1 16 0  11  o 37.86998 18.04801 46.52000       31.98594 46.52000       31.98594 46.52000       31.98594 37.86998 18.04801 37.86998 18.04801 0.000000       0.000000 
1 1 1 16 0  12  o 29.99897 16.58503 28.51000       29.75010 28.51000       29.75010 28.51000       29.75010 29.99897 16.58503 29.99897 16.58503 0.000000       0.000000 
1 1 1 16 0  13  o 122.3069 7.371094 314.9000       36.60523 314.9000       36.60523 314.9000       36.60523 122.3069 7.371094 122.3069 7.371094 0.000000       0.000000 
1 1 1 16 0  14  o 47.65637 16.26570 63.81000       28.47860 63.81000       28.47860 63.81000       28.47860 47.65637 16.26570 47.65637 16.26570 0.000000       0.000000 
1 1 1 16 0  15  o 24.31366 14.66107 15.04000       26.58253 15.04000       26.58253 15.04000       26.58253 24.31366 14.66107 24.31366 14.66107 0.000000       0.000000 
1 1 1 16 0  16  o 66.64183 11.52447 103.0000       28.63073 103.0000       28.63073 103.0000       28.63073 66.64183 11.52447 66.64183 11.52447 0.000000       0.000000 
1 1 1 16 0  17  o 20.00491 13.00890 1.547000       25.62279 1.547000       25.62279 1.547000       25.62279 20.00491 13.00890 20.00491 13.00890 0.000000       0.000000 
1 1 1 16 0  18  o 31.05981 16.15561 33.24000       26.70687 33.24000       26.70687 33.24000       26.70687 31.05981 16.15561 31.05981 16.15561 0.000000       0.000000 
1 1 1 16 0  19  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 0  20  o 16.69736 11.34344 -8.813000      23.44132 -8.813000      23.44132 -8.813000      23.44132 16.69736 11.34344 16.69736 11.34344 0.000000       0.000000 
1 1 1 16 0  21  o 21.21528 13.21613 10.13000       23.26484 10.13000       23.26484 10.13000       23.26484 21.21528 13.21613 21.21528 13.21613 0.000000       0.000000 
1 1 1 16 0  22  o 47.93195 10.41206 56.16304       17.91153 56.16304       17.91153 56.16304       17.91153 47.93195 10.41206 47.93195 10.41206 0.000000       0.000000 
1 1 1 16 0  23  o 19.78540 11.80771 11.40806       16.89477 11.40806       16.89477 11.40806       16.89477 19.78540 11.80771 19.78540 11.80771 0.000000       0.000000 
1 1 1 16 0  24  o 76.15436 6.394772 125.8139       19.60540 125.8139       19.60540 125.8139       19.60540 76.15436 6.394772 76.15436 6.394772 0.000000       0.000000 
1 1 1 16 0  25  f 22.12892 12.45492 17.09984       17.14368 17.09984       17.14368 17.09984       17.14368 22.12892 12.45492 22.12892 12.45492 0.000000       0.000000 
1 1 1 16 0  26  o 26.67101 13.38721 25.70110       17.94762 25.70110       17.94762 25.70110       17.94762 26.67101 13.38721 26.67101 13.38721 0.000000       0.000000 
1 1 1 16 0  27  o 9.946881 7.248283 -35.66033      17.29007 -35.66033      17.29007 -35.66033      17.29007 9.946881 7.248283 9.946881 7.248283 0.000000       0.000000 
1 1 1 16 0  28  o 31.91698 13.80799 34.75129       18.59876 34.75129       18.59876 34.75129       18.59876 31.91698 13.80799 31.91698 13.80799 0.000000       0.000000 
1 1 1 16 0  29  o 17.54734 11.27973 5.731643       18.53452 5.731643       18.53452 5.731643       18.53452 17.54734 11.27973 17.54734 11.27973 0.000000       0.000000 
1 1 1 16 0  30  o 17.52890 12.13541 -9.008000      29.86865 -9.008000      29.86865 -9.008000      29.86865 17.52890 12.13541 17.52890 12.13541 0.000000       0.000000 
1 1 1 16 1  -29 o 19.07669 9.178635 -16.02905      21.09391 -11.72000      30.40017 -20.03000      29.29319 23.05303 11.07298 21.63377 10.50664 1.419258       15.26435 
1 1 1 16 1  -28 o 35.43504 12.02419 37.95232       20.80529 30.50000       29.44752 45.38000       29.39879 31.69747 13.34008 36.15749 13.97782 -4.460028      19.32193 
1 1 1 16 1  -27 o 30.45733 11.84211 24.84418       21.19342 54.28000       30.18507 -3.775000      29.76341 40.06075 14.41885 24.99553 11.68959 15.06522       18.56206 
1 1 1 16 1  -26 o 23.79460 10.44194 5.189606       19.53477 28.72000       27.93779 -17.32000      27.32508 32.46861 13.26582 22.28272 10.64799 10.18588       17.01063 
1 1 1 16 1  -25 o 30.08576 11.54232 22.86200       19.93857 20.77000       28.01300 25.01000       28.38548 30.35794 12.90438 31.56841 13.17867 -1.210464      18.44452 
1 1 1 16 1  -24 o 21.58529 9.882209 -3.827669      19.65610 -30.26000      27.66979 23.10000       27.92785 20.74761 10.10681 31.04449 13.02369 -10.29688      16.48527 
1 1 1 16 1  -23 o 19.01450 9.056340 -16.14493      19.42946 -16.00000      27.97448 -16.28000      27.00593 23.00959 10.93284 22.57950 10.73233 0.4300957      15.32024 
1 1 1 16 1  -22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 1  -21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 1  -20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 1  -19 f 48.65564 11.31988 58.41204       22.12675 30.57000       32.72513 81.86000       30.03194 36.41846 14.54213 56.14540 13.27368 -19.72694      19.68919 
1 1 1 16 1  -18 o 32.41746 12.06145 23.19390       21.39120 36.18000       31.60808 12.22000       29.05623 38.41336 14.58217 30.82272 13.12364 7.590637       19.61809 
1 1 1 16 1  -17 o 58.33389 10.15000 79.28094       23.36434 91.33000       35.17758 69.77000       31.25370 59.01233 14.63096 51.63148 14.29523 7.380856       20.45528 
1 1 1 16 1  -16 o 29.80970 12.15015 13.42997       23.36758 -26.76000      35.01574 45.70000       31.37647 26.06007 12.33813 42.57818 14.75600 -16.51812      19.23458 
1 1 1 16 1  -15 o 27.70382 11.66908 7.299271       22.56221 1.178000       34.59498 11.83000       29.76298 30.92378 13.71842 31.73782 13.38721 -0.8140430     19.16800 
1 1 1 16 1  -14 o 32.64990 12.56932 20.19056       23.70111 14.11000       36.22900 24.74000       31.33743 34.57733 14.68572 36.12365 14.29321 -1.546322      20.49308 
1 1 1 16 1  -13 o 29.37832 12.09305 10.53117       23.43742 13.09000       37.18756 8.845000       30.18758 34.88377 14.84958 31.51267 13.39558 3.371092       19.99879 
1 1 1 16 1  -12 o 36.46144 12.95803 28.75052       24.29862 37.98000       38.33102 22.55000       31.41782 41.96623 16.02774 35.93455 14.28164 6.031677       21.46750 
1 1 1 16 1  -11 o 42.56078 12.91508 42.32629       24.47099 70.47000       38.59754 23.41000       31.64367 53.11205 16.24069 36.47556 14.38457 16.63648       21.69507 
1 1 1 16 1  -10 o 82.37186 7.973444 145.7961       26.55773 151.5000       40.51871 141.5000       35.16444 81.29970 12.57711 79.44016 11.11405 1.859535       16.78409 
1 1 1 16 1  -9  o 38.19439 13.11516 31.68168       24.76562 73.36000       39.25275 4.119000       31.92095 54.67505 16.30512 31.60172 13.61102 23.07333       21.23951 
1 1 1 16 1  -8  o 43.74151 13.21200 43.98011       25.65064 40.65000       38.90852 46.54000       34.11355 43.87639 16.27790 45.21944 15.39612 -1.343048      22.40559 
1 1 1 16 1  -7  o 63.35585 10.23687 88.63853       25.65181 110.5000       39.87971 73.21000       33.50229 68.56969 14.64845 55.66535 14.54140 12.90434       20.64048 
1 1 1 16 1  -6  o 24.56383 11.16775 -11.67358      24.54625 1.514000       38.14964 -20.99000      32.06510 33.78812 14.71462 26.74919 12.38122 7.038927       19.23057 
1 1 1 16 1  -5  o 85.37322 7.884353 155.0149       27.25087 143.2000       41.86692 163.7000       35.89562 79.37582 13.35493 86.63865 10.32092 -7.262833      16.87825 
1 1 1 16 1  -4  o 29.16933 12.36634 4.183086       25.61000 -22.53000      39.35153 23.81000       33.73072 29.96497 13.81498 38.03365 14.89582 -8.068682      20.31598 
1 1 1 16 1  -3  o 39.22050 13.35624 32.67883       25.67297 8.516000       40.49298 48.92000       33.19819 36.36485 15.48829 46.53761 15.17256 -10.17276      21.68164 
1 1 1 16 1  -2  o 65.40787 10.30694 93.74493       26.69203 98.03000       40.87818 90.56000       35.24221 64.50146 15.64076 62.64634 14.08208 1.855125       21.04610 
1 1 1 16 1  -1  f 78.77642 8.603930 132.7303       27.30278 160.0000       42.13946 113.0000       35.84394 84.70718 12.52634 70.80386 12.83582 13.90332       17.93509 
1 1 1 16 1  0   o 71.31823 9.714799 110.3060       27.63314 141.7000       42.74718 87.77000       36.21779 79.02044 13.70799 61.46488 14.60686 17.55556       20.03171 
1 1 1 16 1  1   f 79.52164 8.842566 135.5423       28.30673 131.2000       43.23571 138.8000       37.44858 75.53284 14.50636 79.09669 11.93351 -3.563858      18.78412 
1 1 1 16 1  2   o 43.72884 13.32155 43.03721       26.00116 13.34000       40.88174 63.21000       33.69415 37.63050 15.76999 52.11681 14.98875 -14.48631      21.75673 
1 1 1 16 1  3   o 133.7416 5.783956 372.6240       31.60007 421.0000       48.60278 337.2000       41.59061 140.8159 8.468300 126.1728 8.092842 14.64315       11.71351 
1 1 1 16 1  4   o 98.70570 7.066211 205.2325       28.37074 208.4000       43.56577 202.9000       37.38441 97.51778 11.10811 97.04391 9.530826 0.4738770      14.63649 
1 1 1 16 1  5   o 50.68399 12.32939 58.61484       25.33968 66.06000       38.64594 53.00000       33.56107 52.83249 16.26869 47.95697 15.22022 4.875526       22.27836 
1 1 1 16 1  6   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 1  7   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 1  8   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 1  9   o 71.89216 8.257323 111.4710       23.86699 52.75000       35.42125 160.3000       32.30027 47.31825 15.68495 85.79842 9.344789 -38.48017      18.25768 
1 1 1 16 1  10  o 134.4682 5.171640 377.1345       28.42248 360.4000       42.22350 391.0000       38.43411 129.8103 7.982266 135.9379 6.927656 -6.127625      10.56925 
1 1 1 16 1  11  o 47.92212 11.48520 53.13577       22.24298 37.56000       34.06684 64.71000       29.36657 41.48955 15.26009 51.98928 13.63052 -10.49973      20.46121 
1 1 1 16 1  12  o 44.86110 11.38889 46.86219       20.95442 37.14000       32.62376 53.69000       27.33963 40.87193 14.94971 47.24311 13.47446 -6.371181      20.12597 
1 1 1 16 1  13  o 47.74183 11.15365 53.11287       21.40882 29.02000       33.47359 69.79000       27.84959 38.15749 14.86944 53.98073 12.79583 -15.82325      19.61717 
1 1 1 16 1  14  o 61.80542 8.642336 84.60681       21.27458 70.37000       31.93234 95.97000       28.52821 52.99171 14.36105 64.32702 11.23958 -11.33531      18.23645 
1 1 1 16 1  15  o 63.15079 8.172214 87.99165       20.63708 89.32000       31.21309 86.96000       27.50738 60.54027 12.98091 60.77283 11.47438 -0.2325630     17.32529 
1 1 1 16 1  16  o 32.23260 11.43508 22.80025       18.91525 19.29000       28.45342 25.58000       25.32026 33.22657 13.45722 34.59888 13.07021 -1.372303      18.75973 
1 1 1 16 1  17  o 77.20324 6.461031 128.5770       20.23784 131.7000       29.78872 125.9000       27.57998 75.72064 9.840076 74.48270 9.241142 1.237946       13.49910 
1 1 1 16 1  18  o 23.59375 9.395280 8.479163       13.62264 6.165928       16.42865 13.57000       24.37175 24.04011 10.03015 29.73964 12.29562 -5.699532      15.86777 
1 1 1 16 1  19  f 65.72201 5.645920 92.77859       15.04683 89.94196       18.38149 98.54000       26.19645 63.81761 7.157407 64.52187 10.25845 -0.7042656     12.50857 
1 1 1 16 1  20  f 46.92283 7.796679 50.04109       14.45472 64.94599       17.59606 19.11000       25.34828 53.21636 8.349585 31.21035 12.67932 22.00601       15.18159 
1 1 1 16 1  21  o 42.07718 8.639386 41.76623       14.38633 43.88489       17.52612 37.39000       25.18868 42.06531 10.26668 37.29879 13.19932 4.766518       16.72204 
1 1 1 16 1  22  o 66.09412 5.668961 95.31496       15.19427 94.05946       18.70561 97.75000       26.05048 64.46575 7.209599 62.58921 10.53865 1.876537       12.76877 
1 1 1 16 1  23  o 65.04148 5.769940 93.08505       15.20761 87.35951       18.93175 103.5000       25.53356 61.39458 7.699596 64.49351 9.991686 -3.098923      12.61418 
1 1 1 16 1  24  o 35.24250 9.659179 31.67076       14.35095 26.18369       18.00805 41.22000       23.75643 31.55405 11.16101 37.53588 12.84653 -5.981829      17.01768 
1 1 1 16 1  25  o 48.71681 7.925750 56.07666       15.26745 55.66166       19.35601 56.76000       24.83774 46.30215 10.45713 44.01193 12.93088 2.290215       16.63007 
1 1 1 16 1  26  o 22.52732 9.163516 8.667160       13.25972 20.73271       18.75821 -3.382634      18.74595 29.01112 11.17853 21.17615 9.678193 7.834965       14.78604 
1 1 1 16 1  27  o 36.74378 9.177732 34.33616       13.76679 27.39999       19.56592 41.13681       19.37385 31.52658 11.57004 38.16218 11.47246 -6.635607      16.29365 
1 1 1 16 1  28  o 85.63177 4.457044 158.5250       15.57431 170.7002       22.15696 146.6348       21.89617 86.65004 6.287553 79.65471 6.777544 6.995331       9.244914 
1 1 1 16 1  29  o 32.23028 9.631947 28.26688       13.68665 33.20112       19.45988 23.43677       19.25347 33.00536 11.60847 28.82532 11.26434 4.180044       16.17535 
1 1 1 16 2  -28 o 20.98253 9.804890 -4.680899      20.86974 -10.69000      29.39587 1.426000       29.63412 22.83059 10.94573 24.74858 11.60310 -1.917986      15.95120 
1 1 1 16 2  -27 o 23.36335 10.52299 4.380326       21.19480 -7.426000      30.00368 16.14000       29.94434 23.77708 11.30463 27.95799 12.55722 -4.180910      16.89611 
1 1 1 16 2  -26 o 32.56867 11.99090 30.75022       21.04267 -4.241000      29.24939 68.29000       30.29585 24.54822 11.51502 44.81518 14.48536 -20.26697      18.50463 
1 1 1 16 2  -25 o 18.78553 9.031275 -19.01432      20.32705 -6.831000      28.33636 -31.93000      29.17560 24.23627 11.35755 20.99312 10.25944 3.243149       15.30522 
1 1 1 16 2  -24 o 26.99979 11.24393 14.28866       20.58903 -0.9906000     29.37665 29.04000       28.86468 25.77561 11.90238 32.70477 13.43688 -6.929155      17.95039 
1 1 1 16 2  -23 o 17.71036 8.629240 -26.09842      20.20288 -32.13000      28.98579 -20.40000      28.17390 21.03473 10.26813 22.23676 10.67540 -1.202030      14.81211 
1 1 1 16 2  -22 o 38.94854 11.84502 42.16564       20.56854 48.86000       29.34443 35.70000       28.83879 39.44162 14.21400 34.97341 13.75057 4.468208       19.77665 
1 1 1 16 2  -21 o 23.56479 10.43175 2.706970       19.90029 -9.943000      28.42951 14.86000       27.86550 24.24816 11.36731 29.25772 12.65965 -5.009562      17.01419 
1 1 1 16 2  -20 o 31.65466 11.82295 24.70711       20.59225 19.29000       28.74244 30.42000       29.51668 31.05826 13.13091 34.35796 13.77982 -3.299694      19.03429 
1 1 1 16 2  -19 o 34.87173 12.13663 31.17147       21.23661 -0.9409000     29.75348 64.52000       30.32075 27.06042 12.29990 47.36372 14.37684 -20.30330      18.92038 
1 1 1 16 2  -18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 2  -17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 2  -16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 2  -15 o 31.46116 12.06778 20.18699       21.79254 23.78000       33.83594 17.64000       28.48808 35.32455 14.53432 32.35381 13.32670 2.970741       19.71922 
1 1 1 16 2  -14 o 32.96647 12.56808 22.56315       23.54209 -32.53000      38.01715 56.83000       29.98250 26.37906 12.59288 46.80489 14.31428 -20.42583      19.06512 
1 1 1 16 2  -13 o 29.00252 11.99534 10.95136       23.20768 -17.11000      37.11308 28.97000       29.73950 28.41024 13.20850 36.67282 14.08963 -8.262579      19.31274 
1 1 1 16 2  -12 f 45.53621 12.63147 50.56229       24.37669 64.28000       40.14450 42.55000       30.68060 49.20053 16.70244 41.80318 14.58527 7.397354       22.17435 
1 1 1 16 2  -11 o 72.47514 8.763095 116.1278       25.47842 152.0000       41.66405 94.70000       32.20109 79.60667 13.24700 62.70353 12.96989 16.90314       18.53918 
1 1 1 16 2  -10 o 86.09357 7.739495 160.4150       26.99309 183.1000       45.74885 148.3000       33.43283 87.91944 13.10779 81.11976 10.29688 6.799683       16.66853 
1 1 1 16 2  -9  o 83.99044 7.831105 152.4922       26.62216 172.4000       45.17506 141.9000       32.95203 85.36679 13.36156 79.46080 10.37512 5.905991       16.91669 
1 1 1 16 2  -8  o 69.96970 9.197216 108.0063       25.71321 149.3000       44.15012 86.81000       31.63148 78.93702 14.18042 60.42044 13.15885 18.51658       19.34527 
1 1 1 16 2  -7  o 46.84172 12.66029 51.77513       24.85664 18.18000       42.85258 68.81000       30.51464 38.10903 16.06846 53.46870 13.83331 -15.35967      21.20273 
1 1 1 16 2  -6  o 97.44621 6.920269 201.6154       27.43326 222.6000       46.08718 190.1000       34.14038 99.40691 11.53641 93.44946 9.034641 5.957443       14.65310 
1 1 1 16 2  -5  o 98.86914 6.868805 207.1760       27.63488 242.4000       45.93806 187.2000       34.59457 104.4045 10.90623 92.69793 9.236907 11.70659       14.29218 
1 1 1 16 2  -4  o 32.40508 12.64582 17.30929       24.23844 34.41000       41.86206 8.685000       29.72865 42.26273 16.58185 31.81668 13.39770 10.44605       21.31797 
1 1 1 16 2  -3  o 60.17219 11.08391 81.72776       26.30349 25.05000       44.38867 112.4000       32.65416 40.55777 16.66308 70.44114 11.73363 -29.88337      20.37980 
1 1 1 16 2  -2  o 53.35947 12.15466 65.65826       25.96161 101.7000       44.69858 47.31000       31.89247 63.96922 16.83803 45.15711 14.87970 18.81211       22.47054 
1 1 1 16 2  -1  o 24.86406 11.25998 -9.962605      24.65631 -30.88000      41.87964 1.134000       30.50312 29.41821 13.79280 30.31424 13.18019 -0.8960209     19.07770 
1 1 1 16 2  0   o 34.19775 13.08294 20.85108       25.56807 89.25000       43.66792 -14.83000      31.53965 59.89427 17.01164 27.41842 12.53963 32.47585       21.13382 
1 1 1 16 2  1   o 176.5987 5.263333 649.7344       38.01788 629.3000       59.66738 663.7000       49.32719 171.4133 8.527739 177.4683 6.800572 -6.055023      10.90734 
1 1 1 16 2  2   o 107.3762 6.775010 243.5406       29.63621 225.7000       48.60287 254.1000       37.39187 100.0870 12.10496 108.7677 8.462155 -8.680679      14.76950 
1 1 1 16 2  3   o 35.60592 13.15917 24.94574       25.38397 4.833000       43.55654 35.29000       31.23686 35.95632 15.68978 40.61544 14.66148 -4.659126      21.47389 
1 1 1 16 2  4   o 28.20902 12.04539 3.664888       24.60262 45.44000       42.55381 -17.31000      30.15292 45.45092 16.99182 26.21104 12.08741 19.23988       20.85252 
1 1 1 16 2  5   o 33.78759 12.73317 21.39682       23.99863 62.29000       41.50277 0.8553000      29.41493 50.47867 16.98313 29.64511 12.91540 20.83356       21.33622 
1 1 1 16 2  6   o 92.24686 7.033414 180.9805       26.36668 147.2000       43.93124 200.0000       32.96394 78.87228 14.12125 96.22066 8.452353 -17.34837      16.45758 
1 1 1 16 2  7   o 42.57967 12.51666 42.38588       23.26675 38.76000       40.36482 44.19000       28.47271 42.76348 16.41856 43.35246 14.04522 -0.5889816     21.60642 
1 1 1 16 2  8   o 41.37524 12.43728 40.05082       22.77025 47.79000       39.60667 36.23000       27.82911 45.13189 16.47775 39.97757 13.89451 5.154324       21.55397 
1 1 1 16 2  9   o 73.84624 8.007958 118.4143       23.82734 145.3000       40.51664 104.2000       29.46021 78.49091 13.06545 67.55367 11.03063 10.93725       17.09914 
1 1 1 16 2  10  o 31.24632 12.02597 17.76829       21.69245 42.14000       36.33171 4.267000       27.04148 42.58012 15.74199 29.02538 12.51470 13.55474       20.11040 
1 1 1 16 2  11  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 2  12  f 71.01857 8.050040 110.7000       22.99722 110.7000       22.99722 0.000000       0.000000 71.01857 8.050040 ?        ?        ?              ?        
1 1 1 16 2  13  o 35.27921 12.05852 28.68000       20.92990 28.68000       20.92990 0.000000       0.000000 35.27921 12.05852 ?        ?        ?              ?        
1 1 1 16 2  14  o 20.99895 9.059181 0.9372488      14.18572 -12.43568      17.33783 28.02000       24.67334 19.30560 8.993193 35.26127 12.98387 -15.95568      15.79425 
1 1 1 16 2  15  o 70.65520 6.625368 108.2386       18.94447 108.2386       18.94447 0.000000       0.000000 70.65520 6.625368 ?        ?        ?              ?        
1 1 1 16 2  16  o 29.65312 9.837235 20.00880       13.93222 13.53937       17.05852 32.97000       24.14520 27.21873 10.61254 36.69646 12.92865 -9.477724      16.72651 
1 1 1 16 2  17  o 27.67344 9.839444 16.64825       14.01171 18.60710       17.09604 12.64000       24.45525 29.34043 10.80711 29.22731 12.21911 0.1131191      16.31258 
1 1 1 16 2  18  o 25.37959 10.42795 9.399798       17.38612 18.77000       22.31885 -5.062000      27.72735 30.38674 12.04994 25.82129 11.78949 4.565447       16.85803 
1 1 1 16 2  19  o 56.25074 6.563205 70.07417       14.83339 69.04826       17.83046 72.38000       26.73131 54.72244 8.210492 52.20930 12.64049 2.513134       15.07296 
1 1 1 16 2  20  o 22.92066 9.365014 7.971179       13.92369 9.061414       16.90205 5.669000       24.56115 24.59771 10.21086 26.39566 11.64129 -1.797953      15.48487 
1 1 1 16 2  21  o 19.51308 8.719551 -1.350021      14.23950 3.348889       17.56443 -10.36000      24.32190 22.72726 9.939310 22.53642 10.54849 0.1908455      14.49347 
1 1 1 16 2  22  o 72.32566 5.519662 114.5797       16.22319 114.4659       19.97804 114.8000       27.79913 70.95333 6.966010 67.20298 10.44103 3.750351       12.55151 
1 1 1 16 2  23  o 27.53318 10.13824 18.18862       15.04334 4.387868       18.68574 43.61000       25.36054 23.29614 10.21817 38.10560 13.26275 -14.80945      16.74251 
1 1 1 16 2  24  o 47.22354 8.394650 53.62206       15.63768 50.47625       19.54372 59.22000       26.07084 43.46348 10.97964 44.48291 13.29361 -1.019424      17.24159 
1 1 1 16 2  25  o 43.42747 9.190182 47.13502       15.83186 25.40709       19.78637 85.80000       26.39464 30.90283 11.57967 55.80145 11.91422 -24.89862      16.61437 
1 1 1 16 2  26  o 65.82833 7.241700 101.2426       19.19787 58.55000       26.45964 148.7000       27.89713 42.76175 13.50726 77.47198 8.958978 -34.71024      16.20831 
1 1 1 16 2  27  o 28.19731 10.93922 21.31976       18.05408 8.116000       25.39640 34.81000       25.67045 25.39090 11.46997 32.84475 12.95497 -7.453846      17.30293 
1 1 1 16 2  28  o 22.85357 9.990098 7.444210       17.72709 -2.502000      24.92809 17.62000       25.21415 22.81318 10.67840 27.27222 11.91819 -4.459038      16.00223 
1 1 1 16 3  -26 o 22.02397 10.11971 -0.1659357     20.86721 13.25000       30.97824 -11.31000      28.23372 27.24646 12.44829 22.49696 10.77013 4.749498       16.46073 
1 1 1 16 3  -25 o 29.00410 11.71788 22.46680       21.51312 8.741000       31.32491 34.72000       29.59687 26.99750 12.40273 32.82051 13.55766 -5.823006      18.37492 
1 1 1 16 3  -24 o 29.82369 11.74549 23.40381       21.07244 30.39000       30.98217 17.39000       28.74526 32.38260 13.65888 28.93254 12.68250 3.450054       18.63896 
1 1 1 16 3  -23 o 16.56983 8.190310 -34.97474      20.37926 -45.64000      29.96831 -25.80000      27.79544 19.87720 9.844332 21.24010 10.29648 -1.362896      14.24529 
1 1 1 16 3  -22 o 33.06446 12.02223 30.05798       21.05253 15.88000       30.44463 43.05000       29.14351 29.51653 12.99144 37.17297 14.02681 -7.656435      19.11881 
1 1 1 16 3  -21 o 37.23183 12.11400 39.28734       21.16828 17.06000       30.01965 61.27000       29.85397 29.74110 13.00061 43.79167 14.39468 -14.05057      19.39646 
1 1 1 16 3  -20 o 68.43064 8.090789 110.1000       22.23279 110.1000       31.83342 110.1000       31.06450 62.79016 12.81556 63.31505 12.42601 -0.5248909     17.85061 
1 1 1 16 3  -19 o 39.17506 11.82123 41.99430       20.54174 58.69000       29.09915 25.41000       29.00191 43.77581 14.20018 32.23319 13.37748 11.54261       19.50903 
1 1 1 16 3  -18 o 32.31759 13.70453 22.78000       31.46596 0.000000       0.000000 22.78000       31.46596 ?        ?        32.31759 13.70453 ?              ?        
1 1 1 16 3  -17 o 37.37495 12.15108 36.93819       21.30030 43.71000       29.05486 29.07000       31.31872 39.26789 14.14469 34.51834 14.06738 4.749550       19.94902 
1 1 1 16 3  -16 o 28.58181 11.44489 15.54709       20.32750 7.079000       27.66088 25.49000       29.97297 28.36202 12.43645 33.85736 13.77535 -5.495340      18.55870 
1 1 1 16 3  -15 o 21.67520 9.957349 -8.191563      20.18824 -3.730000      28.68567 -12.57000      28.41718 26.55888 12.07398 24.76848 11.52975 1.790407       16.69479 
1 1 1 16 3  -14 o 67.69951 8.346909 103.5618       22.64912 102.4000       32.96948 104.6000       31.16778 63.18651 13.17032 64.83101 12.18813 -1.644501      17.94458 
1 1 1 16 3  -13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 3  -12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 3  -11 o 49.80726 11.61204 60.22092       23.24398 55.41000       36.95520 63.37000       29.89873 45.41273 15.99510 49.40943 14.09055 -3.996693      21.31635 
1 1 1 16 3  -10 o 36.74461 12.79588 31.74092       23.60815 -11.32000      38.59755 57.48000       29.84108 29.75686 13.70567 47.24638 14.24598 -17.48951      19.76850 
1 1 1 16 3  -9  o 99.57308 6.527756 212.4394       26.46847 177.0000       42.32514 235.2000       33.91932 86.15536 12.35026 103.6107 8.058309 -17.45535      14.74670 
1 1 1 16 3  -8  o 95.13226 6.792631 194.3118       26.28592 162.1000       41.91025 215.2000       33.74915 82.16656 12.87956 98.94422 8.409663 -16.77766      15.38199 
1 1 1 16 3  -7  o 25.42193 11.19451 -1.062813      22.62985 -6.820000      38.34104 2.015000       28.03366 30.86030 14.00161 28.68724 12.55104 2.173061       18.80356 
1 1 1 16 3  -6  o 92.22837 6.881463 182.3090       25.80050 230.0000       43.64996 156.7000       31.98613 100.5630 10.76780 83.80959 9.487242 16.75346       14.35107 
1 1 1 16 3  -5  o 85.75125 7.413759 158.6430       25.77631 146.3000       43.33723 165.4000       32.06466 77.42052 14.19327 86.41308 9.203421 -8.992561      16.91602 
1 1 1 16 3  -4  o 60.45951 10.21323 82.98389       24.38467 88.38000       42.52286 80.34000       29.76494 57.91927 16.89244 57.86909 12.89163 0.5018616E-01  21.24968 
1 1 1 16 3  -3  o 50.69345 11.90534 60.63405       24.28860 66.11000       42.45645 57.97000       29.61316 50.53982 17.17641 48.55778 14.07808 1.982040       22.20859 
1 1 1 16 3  -2  o 20.79214 9.920644 -26.37472      23.53039 13.09000       43.11116 -43.12000      28.08222 36.63749 15.79920 20.95199 10.20087 15.68550       18.80619 
1 1 1 16 3  -1  o 142.9857 5.510605 429.3130       32.20346 402.9000       52.65138 445.1000       40.70516 135.1565 9.575681 144.5810 6.895526 -9.424515      11.80008 
1 1 1 16 3  0   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 3  1   o 73.87980 8.777294 119.9339       26.03446 74.38000       44.46297 143.7000       32.11554 53.22857 17.57043 80.17345 9.999512 -26.94488      20.21658 
1 1 1 16 3  2   o 99.78342 6.862955 212.4371       27.87025 178.5000       47.11848 230.7000       34.56518 86.41871 13.77783 103.0889 8.257465 -16.67014      16.06283 
1 1 1 16 3  3   o 62.57772 9.990769 88.29120       24.73978 85.32000       43.72782 89.69000       30.00343 56.79536 17.27046 61.69154 12.30904 -4.896179      21.20805 
1 1 1 16 3  4   o 44.40977 12.46324 47.15687       23.58350 16.86000       42.00836 61.10000       28.49816 36.98499 15.76467 49.97672 13.57650 -12.99173      20.80495 
1 1 1 16 3  5   o 34.68696 12.49367 25.85135       22.66744 -10.91000      39.54533 43.84000       27.66297 30.77511 14.06205 42.61341 13.84701 -11.83830      19.73527 
1 1 1 16 3  6   o 86.51398 4.927974 156.9998       17.38518 169.2446       21.13796 131.4000       30.56361 89.42641 5.803972 76.32186 10.02174 13.10455       11.58107 
1 1 1 16 3  7   o 34.96252 10.05913 28.14068       15.17274 20.32091       18.27170 45.51000       27.23161 31.18420 11.21895 43.09927 13.71378 -11.91507      17.71815 
1 1 1 16 3  8   o 52.21408 7.526617 59.82449       15.62795 52.54028       18.81884 76.01000       28.05206 47.73346 9.951136 56.02020 12.54208 -8.286739      16.01027 
1 1 1 16 3  9   o 48.38249 8.015759 52.08071       15.32470 62.17873       18.77900 31.95000       26.51453 52.41121 9.079058 37.28910 13.50143 15.12210       16.27015 
1 1 1 16 3  10  o 24.29371 9.679802 8.672217       14.46871 9.013373       17.53331 7.944000       25.61640 25.88440 10.53421 28.93497 12.32120 -3.050570      16.21053 
1 1 1 16 3  11  o 25.97234 9.834079 12.54680       14.35335 8.489487       17.49874 20.89000       25.09307 25.58224 10.48094 32.65284 12.83005 -7.070606      16.56684 
1 1 1 16 3  12  o 35.35566 9.674138 29.39445       14.40917 35.89324       17.56662 16.03000       25.19114 38.62925 10.72564 30.90600 12.60842 7.723248       16.55330 
1 1 1 16 3  13  o 55.65503 6.633362 67.68191       14.81971 65.84534       18.03516 71.50000       26.00393 53.87411 8.453487 53.58422 12.13450 0.2898865      14.78877 
1 1 1 16 3  14  o 51.68903 7.180674 59.29034       14.78819 55.94741       18.04377 66.13000       25.80953 48.93674 9.345386 50.98322 12.46834 -2.046478      15.58190 
1 1 1 16 3  15  o 28.01378 9.888272 17.41207       14.12930 24.18448       17.26896 3.697000       24.57499 31.93965 10.95223 26.63156 11.69856 5.308084       16.02522 
1 1 1 16 3  16  o 28.17132 11.78738 12.15000       22.78598 12.15000       22.78598 0.000000       0.000000 28.17132 11.78738 ?        ?        ?              ?        
1 1 1 16 3  17  o 25.77058 11.38619 3.713000       23.59785 3.713000       23.59785 0.000000       0.000000 25.77058 11.38619 ?        ?        ?              ?        
1 1 1 16 3  18  o 28.71047 12.24301 13.78000       25.35569 13.78000       25.35569 0.000000       0.000000 28.71047 12.24301 ?        ?        ?              ?        
1 1 1 16 3  19  o 21.02629 9.545357 -3.112410      17.85095 0.3516000      24.24550 -7.213000      26.37939 24.67511 11.17096 23.93693 11.13116 0.7381821      15.77001 
1 1 1 16 3  20  o 37.40438 11.18410 37.79085       18.44946 12.45000       24.92514 68.50000       27.43853 27.64999 11.96855 48.17405 13.41564 -20.52406      17.97848 
1 1 1 16 3  21  o 34.29615 11.30120 31.96222       18.39704 56.59000       25.44390 4.982000       26.63138 43.65981 13.15238 26.19398 11.79698 17.46583       17.66788 
1 1 1 16 3  22  o 36.47319 11.17602 36.17598       18.26570 39.81000       25.30056 32.22000       26.39753 36.56033 13.19535 33.68578 13.18206 2.874550       18.65164 
1 1 1 16 3  23  o 32.33092 10.47680 27.62728       15.84219 28.83513       19.72149 25.43000       26.59958 32.46043 11.65836 31.31037 12.88514 1.150061       17.37654 
1 1 1 16 3  24  o 22.64986 9.635899 7.142473       15.64209 -2.720884      19.57022 24.59000       26.02857 21.48036 9.844053 30.53814 12.67353 -9.057781      16.04754 
1 1 1 16 3  25  o 23.44510 9.790504 10.01956       15.67334 18.23965       19.82935 -3.666000      25.58594 27.35327 11.17602 23.25225 10.86251 4.101019       15.58517 
1 1 1 16 3  26  o 36.94285 10.37651 38.32166       16.34012 21.09599       20.74451 66.48000       26.52275 28.01791 11.43731 44.64762 13.42350 -16.62971      17.63526 
1 1 1 16 4  -25 o 24.59740 10.92677 9.727035       22.02247 -29.89000      31.72754 46.56000       30.59241 21.15513 10.41141 34.98309 14.02931 -13.82796      17.47052 
1 1 1 16 4  -24 o 24.20793 10.83008 7.335883       22.03528 20.56000       31.79842 -4.881000      30.56345 28.84940 12.95027 24.14533 11.45949 4.704073       17.29246 
1 1 1 16 4  -23 o 23.67358 10.60228 4.878457       21.17852 37.79000       30.81065 -24.60000      29.15943 33.66814 13.86279 21.38367 10.40736 12.28447       17.33465 
1 1 1 16 4  -22 o 18.02741 8.770472 -24.15428      20.65331 -11.84000      29.81137 -35.52000      28.64020 23.65378 11.25237 20.18842 9.927024 3.465357       15.00539 
1 1 1 16 4  -21 o 29.10785 11.59116 20.64310       20.73478 28.42000       29.96681 13.50000       28.71974 32.33945 13.52360 28.42252 12.55941 3.916929       18.45607 
1 1 1 16 4  -20 o 21.51173 9.895094 -4.694438      20.02644 14.07000       29.05822 -21.67000      27.63843 28.81408 12.68685 21.81916 10.50027 6.994921       16.46851 
1 1 1 16 4  -19 o 30.04089 11.71940 22.55646       20.81170 21.68000       30.60888 23.31000       28.38153 30.94878 13.32906 31.09956 13.09288 -0.1507778     18.68388 
1 1 1 16 4  -18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 4  -17 o 43.43145 11.64755 51.34851       21.13849 47.94000       30.83677 54.37000       29.03335 38.99659 14.48690 41.77375 14.20385 -2.777161      20.28841 
1 1 1 16 4  -16 o 28.30467 11.36786 17.09799       20.11750 -0.6765000     28.84155 33.94000       28.07482 26.14046 11.96875 34.95569 13.61881 -8.815228      18.13072 
1 1 1 16 4  -15 f 36.94083 11.95418 36.49081       20.62938 3.951000       28.72690 71.14000       29.64339 27.33878 12.28754 49.54434 13.99726 -22.20556      18.62544 
1 1 1 16 4  -14 o 20.74957 9.654205 -10.32335      19.88551 -34.86000      27.55341 16.35000       28.72807 20.67040 10.07283 30.60563 13.04086 -9.935225      16.47804 
1 1 1 16 4  -13 o 42.15715 11.60562 45.60216       20.66533 39.70000       28.86317 51.81000       29.60118 38.35158 14.05624 42.83819 14.34206 -4.486610      20.08165 
1 1 1 16 4  -12 o 61.42959 8.808051 87.10000       21.52246 72.60000       30.43736 101.6000       30.43736 51.51611 14.04583 63.39732 12.16731 -11.88121      18.58302 
1 1 1 16 4  -11 o 34.89714 11.88477 29.85699       20.32781 42.56000       30.19696 19.33000       27.48919 39.99718 14.41838 32.00188 13.12659 7.995300       19.49864 
1 1 1 16 4  -10 o 42.85407 11.57305 45.76997       20.78087 9.613000       31.16100 74.73000       27.88784 30.61703 13.31659 54.06689 12.79691 -23.44986      18.46869 
1 1 1 16 4  -9  o 39.32138 11.81475 38.43325       20.55114 66.83000       31.03221 16.25000       27.42781 49.85464 14.39872 31.39250 13.01728 18.46214       19.41064 
1 1 1 16 4  -8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 4  -7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 4  -6  f 22.52165 10.72090 -25.23000      27.15253 0.000000       0.000000 -25.23000      27.15253 ?        ?        22.52165 10.72090 ?              ?        
1 1 1 16 4  -5  o 67.70797 6.189909 98.53452       16.97160 112.2000       21.16167 73.90000       28.41252 71.63218 7.317365 54.38044 12.94685 17.25174       14.87161 
1 1 1 16 4  -4  o 75.69893 5.686766 122.0352       17.49818 119.2000       21.85368 127.1000       29.20894 73.89056 7.318956 74.56915 9.803246 -0.6785889     12.23400 
1 1 1 16 4  -3  o 23.05743 9.723249 3.999867       15.69417 2.564000       19.66182 6.521000       26.05340 24.71265 10.66335 28.70515 12.32914 -3.992502      16.30076 
1 1 1 16 4  -2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 4  -1  o 90.30522 5.271976 172.2903       19.40966 184.8000       24.79666 152.5000       31.18856 92.75642 6.571212 82.21640 9.435070 10.54002       11.49789 
1 1 1 16 4  0   o 30.59740 11.55305 18.60000       19.77776 18.60000       19.77776 0.000000       0.000000 30.59740 11.55305 ?        ?        ?              ?        
1 1 1 16 4  1   o 68.53360 6.521077 101.1607       18.07956 106.9000       22.89379 91.65000       29.47076 69.50379 8.202028 61.70874 12.09589 7.795055       14.61451 
1 1 1 16 4  2   o 84.86254 5.479463 152.6379       18.93873 131.0000       23.93117 188.9000       30.98005 77.34803 7.656318 92.51856 8.264591 -15.17053      11.26600 
1 1 1 16 4  3   o 30.32576 10.57995 20.04712       16.14349 17.02000       20.21248 25.38000       26.82787 30.01978 11.59407 34.75471 13.37453 -4.734928      17.70029 
1 1 1 16 4  4   o 85.87771 5.475874 156.4629       19.15535 160.1000       24.72280 151.0000       30.29949 85.87409 7.094132 81.83641 9.201232 4.037682       11.61849 
1 1 1 16 4  5   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 4  6   f 79.00594 5.161954 132.1804       16.60785 122.4743       20.18845 152.5000       29.21032 75.24017 6.620269 82.40829 8.792112 -7.168114      11.00587 
1 1 1 16 4  7   o 51.86343 7.255302 59.36280       14.98684 66.25107       18.33162 45.48000       26.02462 54.11730 8.556724 42.22433 13.40303 11.89296       15.90153 
1 1 1 16 4  8   o 18.20463 8.345500 -7.335835      14.08048 -1.612747      17.06332 -19.55000      24.92758 21.82427 9.660507 22.20928 10.48346 -0.3850098     14.25582 
1 1 1 16 4  9   o 53.65013 6.910557 63.30890       14.82906 62.54584       18.01950 64.91000       26.10194 52.30325 8.720630 50.54506 12.64439 1.758186       15.36001 
1 1 1 16 4  10  o 70.58196 5.514987 106.6242       15.81260 108.2959       19.11467 103.0000       28.14458 70.41735 6.710254 65.54484 10.86695 4.872513       12.77177 
1 1 1 16 4  11  o 51.75356 7.412999 59.89051       15.26132 67.41755       18.68576 44.81000       26.44884 54.13114 8.726916 41.14090 13.55017 12.99024       16.11726 
1 1 1 16 4  12  o 46.49609 10.48689 52.80602       19.48851 38.49000       27.35105 67.57000       27.77568 38.27559 13.73161 50.36778 13.28055 -12.09219      19.10315 
1 1 1 16 4  13  o 57.00667 8.604596 75.22047       19.46056 52.57000       26.94456 99.92000       28.13694 43.71443 13.60514 63.45056 11.24114 -19.73613      17.64831 
1 1 1 16 4  14  o 41.96027 10.75526 44.55334       18.56320 11.38000       25.30425 83.21000       27.31562 28.38286 12.16994 56.44994 12.17571 -28.06708      17.21497 
1 1 1 16 4  15  f 32.10696 11.25139 25.98572       18.26982 -1.297000      25.24874 55.97000       26.46932 25.00344 11.35141 44.30335 13.42960 -19.29991      17.58433 
1 1 1 16 4  16  o 37.54879 9.958522 35.69948       15.55984 33.31055       19.04182 40.50000       26.99302 35.33246 11.48897 37.33842 13.60763 -2.005962      17.80910 
1 1 1 16 4  17  o 23.81964 9.771382 9.552602       15.23445 12.20014       18.72873 4.375000       26.19100 25.97499 10.76250 26.11141 11.73454 -0.1364212     15.92266 
1 1 1 16 4  18  o 26.15139 10.15323 15.02260       15.56197 14.27753       19.08684 16.50000       26.87711 26.69205 10.94211 29.07926 12.50662 -2.387213      16.61762 
1 1 1 16 4  19  o 26.38169 10.18300 15.57461       15.58526 -2.007104      19.30402 48.49000       26.41293 21.83789 9.918708 39.83506 13.54766 -17.99717      16.79047 
1 1 1 16 4  20  o 36.81993 10.20140 35.39931       15.91010 33.61183       19.75383 38.70000       26.84315 34.80996 11.71672 35.90181 13.48022 -1.091854      17.86051 
1 1 1 16 4  21  o 19.81049 8.953075 -2.010748      15.49382 -16.73919      19.56514 22.76000       25.37313 18.78313 8.985012 30.34625 12.54598 -11.56312      15.43153 
1 1 1 16 4  22  o 22.92849 11.07724 -21.09000      31.48730 -21.09000      31.48730 0.000000       0.000000 22.92849 11.07724 ?        ?        ?              ?        
1 1 1 16 4  23  o 33.11199 13.75584 35.76000       30.70866 35.76000       30.70866 0.000000       0.000000 33.11199 13.75584 ?        ?        ?              ?        
1 1 1 16 4  24  o 32.86037 11.94803 33.38232       20.79345 33.38232       20.79345 0.000000       0.000000 32.86037 11.94803 ?        ?        ?              ?        
1 1 1 16 4  25  o 20.92879 9.730682 -3.333571      20.14589 -3.333571      20.14589 0.000000       0.000000 20.92879 9.730682 ?        ?        ?              ?        
1 1 1 16 5  -23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 5  -22 o 25.69516 10.46995 15.73054       17.34530 22.44561       20.96168 1.147000       30.89102 28.49189 11.54655 25.10176 11.79335 3.390133       16.50472 
1 1 1 16 5  -21 o 34.01759 10.94871 33.15732       17.32009 26.69884       20.98460 46.96000       30.67730 30.43411 11.79733 36.11816 14.18771 -5.684050      18.45178 
1 1 1 16 5  -20 o 37.22590 10.78094 38.33924       17.37510 42.46296       21.01869 29.44000       30.87716 37.85338 12.04865 31.85959 13.54556 5.993788       18.12877 
1 1 1 16 5  -19 o 58.06638 7.755229 79.53139       17.97865 92.40101       22.01041 53.73000       31.16499 61.26406 9.045736 39.87698 14.60749 21.38707       17.18151 
1 1 1 16 5  -18 f 21.87067 9.693399 1.917396       17.23347 -13.33277      20.10563 44.15000       33.45833 19.72303 9.341228 36.83791 14.70597 -17.11488      17.42194 
1 1 1 16 5  -17 o 67.41941 7.865482 106.4972       21.30631 110.2000       28.77030 102.0000       31.70660 64.62619 11.28231 59.36996 13.36556 5.256229       17.49082 
1 1 1 16 5  -16 o 39.42643 11.55452 42.87099       19.85304 51.16000       26.40421 32.09000       30.11280 40.94033 13.54110 33.69044 13.76966 7.249893       19.31230 
1 1 1 16 5  -15 o 19.46875 9.123127 -10.10601      18.28129 -5.536000      23.86962 -16.59000      28.43202 23.04229 10.67137 22.91517 10.92568 0.1271229      15.27248 
1 1 1 16 5  -14 o 23.92922 9.884926 9.425087       15.73369 -0.6505211     18.95579 31.74000       28.21005 22.10624 9.954670 33.78543 13.49805 -11.67919      16.77179 
1 1 1 16 5  -13 o 39.46793 10.00728 39.61568       16.19292 50.83017       19.52398 14.90000       28.98445 44.09777 10.88043 29.44212 12.82384 14.65565       16.81769 
1 1 1 16 5  -12 o 53.56701 10.47875 72.19487       22.16069 48.35000       32.08758 93.94000       30.64224 39.71913 14.77349 58.20343 13.16629 -18.48430      19.78907 
1 1 1 16 5  -11 o 63.89848 6.348042 90.36806       16.39002 90.36314       19.47761 90.38000       30.33574 62.79697 7.738308 57.32897 13.19636 5.467999       15.29788 
1 1 1 16 5  -10 o 20.61971 9.063826 0.3805028      14.77481 -1.111271      17.55465 4.004000       27.35929 21.72063 9.695436 27.14116 12.11017 -5.420530      15.51315 
1 1 1 16 5  -9  o 22.89781 9.493857 6.695324       14.58720 16.89872       17.34801 -17.93000      26.95058 28.17767 10.77740 22.89213 10.83414 5.285542       15.28172 
1 1 1 16 5  -8  o 26.23782 10.39152 12.56276       16.57852 20.75000       20.89021 -1.366000      27.24772 30.69031 11.80421 26.27769 11.87466 4.412611       16.74357 
1 1 1 16 5  -7  o 38.51838 10.52431 36.64102       17.06728 44.79000       21.89793 24.03000       27.24121 41.59568 12.11957 33.10392 13.25126 8.491760       17.95772 
1 1 1 16 5  -6  o 29.36144 10.58024 19.28088       16.25814 11.42000       20.57761 32.34000       26.52260 27.37286 11.30576 36.03864 13.42623 -8.665785      17.55231 
1 1 1 16 5  -5  o 42.48978 8.975435 42.27837       15.12561 21.81153       18.07597 90.08000       27.62470 30.93400 11.15487 60.32632 11.60449 -29.39232      16.09644 
1 1 1 16 5  -4  o 54.42850 7.054366 65.61096       15.35256 64.25490       18.42575 68.69000       27.76465 52.77573 8.838679 51.23996 13.16377 1.535770       15.85582 
1 1 1 16 5  -3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 5  -2  o 50.82056 9.449346 60.40680       18.94014 60.40680       18.94014 0.000000       0.000000 50.82056 9.449346 ?        ?        ?              ?        
1 1 1 16 5  -1  o 57.59715 8.314787 75.17471       19.04292 75.17471       19.04292 0.000000       0.000000 57.59715 8.314787 ?        ?        ?              ?        
1 1 1 16 5  0   o 42.26039 9.199719 41.83635       15.46691 38.74871       18.54571 48.89000       28.03087 39.70784 11.01874 42.88696 13.93899 -3.179119      17.76818 
1 1 1 16 5  1   o 40.96257 9.357734 39.53555       15.35099 37.02695       18.40493 45.27000       27.82689 38.80247 11.05184 41.41676 13.90608 -2.614281      17.76295 
1 1 1 16 5  2   o 48.48675 8.078967 53.31701       15.47585 49.47661       18.53733 62.15000       28.11334 45.40897 10.21744 48.43964 13.61244 -3.030666      17.02042 
1 1 1 16 5  3   o 32.38331 10.29695 24.89153       15.35460 28.78799       18.47201 16.18000       27.62016 34.45115 11.32283 31.21295 13.01270 3.238205       17.24926 
1 1 1 16 5  4   o 70.06141 7.829211 109.9025       22.07708 53.87000       32.16708 159.8000       30.35506 44.03526 14.95106 83.49329 9.021930 -39.45803      17.46223 
1 1 1 16 5  5   o 57.01505 9.445434 76.06957       21.27999 47.95000       31.51673 99.63000       28.84884 41.80299 14.76716 63.61170 11.49872 -21.80871      18.71602 
1 1 1 16 5  6   o 43.26756 11.45093 47.13563       20.60065 53.42000       30.41667 41.81000       28.00052 43.82928 14.53496 39.60928 13.92529 4.219997       20.12905 
1 1 1 16 5  7   o 25.00491 10.75315 5.252254       19.86491 -44.39000      29.29297 47.52000       27.02976 20.59063 10.10767 41.80082 13.69453 -21.21019      17.02072 
1 1 1 16 5  8   o 35.16627 10.25198 30.37893       15.66521 17.62868       18.84828 58.86000       28.17023 28.99874 11.19697 46.13732 13.82563 -17.13858      17.79102 
1 1 1 16 5  9   o 24.86225 9.914268 10.79041       15.19013 13.96240       18.42515 4.060000       26.83899 27.26033 10.90281 27.15908 12.06380 0.1012478      16.26058 
1 1 1 16 5  10  o 51.31645 7.903278 60.59496       16.07463 71.78618       19.79569 38.93000       27.54296 54.99182 9.109862 37.54691 13.73589 17.44490       16.48224 
1 1 1 16 5  11  o 24.43545 9.819849 10.45604       15.02123 4.332282       18.48282 22.37000       25.78025 23.66959 10.27570 31.46057 12.78471 -7.790977      16.40240 
1 1 1 16 5  12  o 22.01585 9.453708 4.136896       15.31100 -11.47227      18.88903 34.04000       26.14436 19.75711 9.263146 35.21101 13.28569 -15.45390      16.19616 
1 1 1 16 5  13  o 29.79076 10.50602 22.07335       15.94706 14.31322       19.88735 36.05000       26.68971 27.14315 11.15274 35.53448 13.42004 -8.391338      17.44939 
1 1 1 16 5  14  o 20.46761 9.136872 -0.4675287     15.59360 1.088733       19.71498 -3.068000      25.48480 22.90344 10.24544 24.24887 11.15716 -1.345432      15.14765 
1 1 1 16 5  15  o 16.33567 7.874829 -18.07151      15.70280 -30.99245      20.01796 2.598000       25.31849 16.93964 8.323516 25.28960 11.43559 -8.349962      14.14404 
1 1 1 16 5  16  o 17.11726 8.121596 -12.83338      15.33006 -3.041047      19.24186 -29.85000      25.36535 21.55427 9.833573 19.77041 9.640972 1.783863       13.77126 
1 1 1 16 5  17  o 49.14408 14.65424 76.92000       31.70774 76.92000       31.70774 0.000000       0.000000 49.14408 14.65424 ?        ?        ?              ?        
1 1 1 16 5  18  f 38.17904 10.24646 38.19386       16.35149 36.70310       20.54489 40.77000       27.00761 36.02249 11.94564 36.51057 13.55872 -0.4880791     18.07034 
1 1 1 16 5  19  o 28.46152 10.50113 20.37733       16.15322 12.69969       20.42145 33.21000       26.40166 26.20051 11.07222 33.58837 13.17151 -7.387859      17.20705 
1 1 1 16 5  20  o 27.60209 10.50109 19.14831       16.41375 7.107640       20.52999 40.48000       27.32599 24.25200 10.67153 35.37294 13.52703 -11.12093      17.22969 
1 1 1 16 5  21  o 21.95882 9.571319 5.477862       16.17105 -5.014135      20.45813 22.95000       26.40036 21.01323 9.782050 29.34015 12.50150 -8.326923      15.87375 
1 1 1 16 5  22  o 35.65569 10.63414 36.37059       16.69597 19.17255       21.03810 65.63000       27.44098 27.37675 11.38052 43.65746 13.75088 -16.28070      17.84945 
1 1 1 16 5  23  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16 6  -20 o 25.83502 10.68154 15.96951       18.39364 11.59836       22.43180 24.94000       32.13470 25.23370 11.12717 29.50958 13.14850 -4.275881      17.22489 
1 1 1 16 6  -19 o 22.40200 10.43236 -2.715462      23.30218 1.766000       34.54763 -6.456000      31.56279 26.05126 12.31047 24.20216 11.53153 1.849098       16.86784 
1 1 1 16 6  -18 o 32.27803 11.31869 30.05920       18.49097 37.40079       22.64517 15.37000       32.03169 34.65047 12.48663 28.36115 12.83983 6.289322       17.91025 
1 1 1 16 6  -17 o 23.80830 10.22938 8.384000       17.94633 -1.244188      21.95329 27.78000       31.15900 22.69658 10.41064 31.48004 13.50142 -8.783461      17.04904 
1 1 1 16 6  -16 o 34.43449 11.17033 32.79589       18.00622 35.41418       22.13957 27.68000       30.94714 34.81131 12.36922 31.95910 13.57335 2.852215       18.36391 
1 1 1 16 6  -15 o 17.67738 8.469112 -16.62458      17.52957 2.373585       21.42005 -55.15000      30.50271 23.71646 10.63886 19.21959 9.586592 4.496872       14.32089 
1 1 1 16 6  -14 o 34.86625 11.16612 33.03610       18.03070 34.82698       22.13047 29.50000       31.09714 34.95547 12.37193 32.91682 13.77146 2.038654       18.51263 
1 1 1 16 6  -13 o 24.62383 10.35122 9.686620       17.69828 2.167983       21.55116 25.26000       31.01648 23.82493 10.68069 31.88109 13.56616 -8.056166      17.26609 
1 1 1 16 6  -12 o 28.15464 11.68315 16.67753       22.11629 11.18000       32.38908 21.48000       30.27240 28.91695 13.01777 30.85220 13.27117 -1.935246      18.58995 
1 1 1 16 6  -11 o 43.16659 9.970779 47.61699       17.26880 50.87609       21.16137 41.12000       29.87798 42.94745 11.71241 36.51585 14.09799 6.431595       18.32850 
1 1 1 16 6  -10 o 26.34850 10.40232 14.85997       16.56471 18.99237       20.14132 6.223000       29.11842 28.69076 11.42440 27.25022 12.29843 1.440540       16.78596 
1 1 1 16 6  -9  o 44.40105 9.499604 49.09974       16.74908 53.09198       20.41121 40.87000       29.30580 44.65135 11.18784 36.77462 14.02181 7.876728       17.93820 
1 1 1 16 6  -8  o 59.56211 7.039578 80.72340       16.83744 76.98519       20.30189 88.96000       30.13551 56.36113 9.107395 55.78741 13.36732 0.5737152      16.17497 
1 1 1 16 6  -7  o 26.77509 10.32586 15.59997       16.01560 17.00715       19.38098 12.57000       28.43943 28.09566 11.20034 28.87763 12.63776 -0.7819691     16.88670 
1 1 1 16 6  -6  o 25.47492 10.11446 12.58677       15.74301 15.93844       19.06927 5.413000       27.89828 27.73470 11.09202 27.22864 12.18341 0.5060596      16.47630 
1 1 1 16 6  -5  o 40.28601 11.99840 43.88921       21.26616 9.731000       31.34273 73.03000       28.94943 29.21147 13.00245 50.50415 13.66832 -21.29268      18.86495 
1 1 1 16 6  -4  o 26.78838 11.27053 11.28328       21.00903 -14.18000      31.45964 31.78000       28.22531 24.96588 11.78239 34.68572 13.61374 -9.719847      18.00441 
1 1 1 16 6  -3  o 30.10191 11.73048 20.63738       20.83294 24.70000       30.82156 17.22000       28.26822 32.92021 13.73698 30.46923 12.95778 2.450979       18.88408 
1 1 1 16 6  -2  o 64.96627 12.27250 110.7000       31.45101 0.000000       0.000000 110.7000       31.45101 ?        ?        64.96627 12.27250 ?              ?        
1 1 1 16 6  -1  o 50.45334 14.23467 73.71000       30.67894 0.000000       0.000000 73.71000       30.67894 ?        ?        50.45334 14.23467 ?              ?        
1 1 1 16 6  0   f 83.87650 6.275214 154.6545       21.39606 158.6000       28.31155 149.4000       32.67192 82.67751 8.482986 77.90847 10.50931 4.769035       13.50580 
1 1 1 16 6  1   o 46.91731 8.812705 52.26556       16.30887 53.67465       19.67365 49.17000       29.15985 46.14437 10.63103 41.05307 14.22534 5.091305       17.75892 
1 1 1 16 6  2   o 116.5782 5.064790 291.3743       24.11937 297.1000       32.76345 284.6000       35.63735 115.4428 6.963417 111.7836 7.835414 3.659119       10.48250 
1 1 1 16 6  3   o 35.60832 10.43723 32.13465       16.19811 29.65199       19.42571 37.80000       29.34478 33.88482 11.61614 36.80273 14.03147 -2.917908      18.21584 
1 1 1 16 6  4   o 44.33831 11.02550 50.71375       19.93284 50.71375       19.93284 0.000000       0.000000 44.33831 11.02550 ?        ?        ?              ?        
1 1 1 16 6  5   o 53.56134 9.756413 70.24645       20.60955 70.24645       20.60955 0.000000       0.000000 53.56134 9.756413 ?        ?        ?              ?        
1 1 1 16 6  6   o 59.94505 7.290930 81.81769       17.52859 65.01656       21.16549 118.5000       31.27428 50.69047 10.54116 67.39430 11.76041 -16.70383      15.79314 
1 1 1 16 6  7   o 25.89772 10.28215 13.42814       16.26908 -2.315276      20.20068 42.49000       27.44594 22.42471 10.16989 37.99306 13.73925 -15.56836      17.09367 
1 1 1 16 6  8   o 34.06786 10.64838 30.28879       16.48679 27.61503       20.62584 35.02000       27.43698 32.38831 11.88045 35.08288 13.51905 -2.694565      17.99749 
1 1 1 16 6  9   o 29.69776 10.68588 22.07077       16.57734 8.544203       20.55330 47.25000       28.04200 25.35188 10.92051 39.26130 13.92369 -13.90942      17.69538 
1 1 1 16 6  10  o 44.77787 9.466516 50.00557       16.81350 46.70311       21.34849 55.40000       27.28483 40.88771 11.98153 42.57594 13.74542 -1.688225      18.23441 
1 1 1 16 6  11  o 24.85306 10.10450 11.63757       16.11323 19.49527       20.45804 -1.202000      26.15117 28.86010 11.50660 24.75616 11.35799 4.103941       16.16805 
1 1 1 16 6  12  o 21.20196 9.440536 0.5819996      16.53720 -3.102547      21.45593 5.974000       25.95555 22.53644 10.32032 26.22050 11.74052 -3.684053      15.63166 
1 1 1 16 6  13  o 33.56492 10.77318 29.95907       16.77726 24.34344       21.18734 39.40000       27.47165 30.75301 11.87220 36.13882 13.62250 -5.385811      18.06991 
1 1 1 16 6  14  o 19.45547 8.944606 -5.322883      16.33444 -11.81607      20.43968 6.153000       27.17303 20.21055 9.525621 26.55557 11.94180 -6.345024      15.27560 
1 1 1 16 6  15  o 53.97823 8.155684 69.44749       17.46453 72.05138       22.04601 65.06000       28.61722 52.55200 10.61106 45.54231 13.99517 7.009689       17.56301 
1 1 1 16 6  16  o 20.59277 9.647151 -9.040511      20.41757 -9.625000      30.22623 -8.550000      27.68982 24.28435 11.48728 23.62134 11.11894 0.6630077      15.98713 
1 1 1 16 6  17  o 47.60939 9.507360 57.99541       17.88508 29.85849       22.31780 108.5000       29.90050 32.09800 12.23693 61.71311 12.26472 -29.61511      17.32529 
1 1 1 16 6  18  o 39.29251 10.56256 42.67284       17.35857 54.56829       21.95144 22.82000       28.35852 42.83871 12.02495 29.59737 12.78883 13.24134       17.55430 
1 1 1 16 6  19  o 30.87564 10.91342 27.39856       17.21550 -4.154508      21.64324 81.75000       28.40579 21.51725 10.03164 50.10493 13.53045 -28.58768      16.84360 
1 1 1 16 6  20  o 41.50520 10.33749 48.00380       17.50230 55.20797       22.48193 36.92000       27.88600 41.89482 12.30062 32.67735 13.29014 9.217472       18.10892 
1 1 1 16 7  -17 o 26.26609 11.34164 15.56136       22.27343 15.56136       22.27343 0.000000       0.000000 26.26609 11.34164 ?        ?        ?              ?        
1 1 1 16 7  -16 o 24.64431 10.98525 8.780417       22.45473 8.780417       22.45473 0.000000       0.000000 24.64431 10.98525 ?        ?        ?              ?        
1 1 1 16 7  -15 o 22.94915 10.11089 6.146511       18.48326 6.361243       22.74504 5.729000       31.71555 24.31514 10.93066 26.29637 12.22047 -1.981234      16.39571 
1 1 1 16 7  -14 o 27.23592 11.70662 15.75749       23.52117 12.42000       34.48771 18.66000       32.16185 28.32387 13.01270 29.18835 13.06924 -0.8644829     18.44276 
1 1 1 16 7  -13 o 24.69254 11.06392 5.579980       23.09285 18.66000       34.34911 -5.208000      31.19473 29.80792 13.41349 24.97842 11.77129 4.829502       17.84614 
1 1 1 16 7  -12 o 28.56164 12.02833 18.24562       23.96630 2.242000       33.82473 34.38000       33.96262 27.10950 12.60580 33.65305 14.25289 -6.543547      19.02764 
1 1 1 16 7  -11 o 23.38911 10.63758 -0.1974739     22.29650 23.65000       32.99910 -20.23000      30.24467 31.36020 13.67086 22.86879 10.99998 8.491404       17.54685 
1 1 1 16 7  -10 o 29.49241 10.99323 22.06282       17.78568 17.50863       22.03348 30.58000       30.13181 28.28925 11.69297 33.06273 13.67077 -4.773476      17.98931 
1 1 1 16 7  -9  o 41.99273 10.41763 46.14719       17.82637 45.21972       21.97950 47.93000       30.47329 39.71309 12.27605 38.55546 14.38604 1.157623       18.91189 
1 1 1 16 7  -8  o 30.18913 10.82088 23.40852       16.98051 19.44212       20.79300 31.35000       29.42184 28.85393 11.56791 33.43150 13.63086 -4.577566      17.87783 
1 1 1 16 7  -7  o 36.94500 10.87461 36.59900       17.55275 27.31761       21.89576 53.29000       29.36261 31.94131 12.13409 40.86833 14.26792 -8.927023      18.72992 
1 1 1 16 7  -6  o 21.91986 9.664573 2.364198       16.91691 10.12564       21.09542 -11.62000      28.31626 25.85503 11.09940 23.62408 11.15796 2.230947       15.73838 
1 1 1 16 7  -5  o 22.14443 9.695683 3.339184       16.75679 19.33979       21.04594 -24.37000      27.69568 28.87086 11.61610 21.49529 10.38583 7.375570       15.58202 
1 1 1 16 7  -4  o 24.40875 10.19547 9.740992       17.00305 8.103299       21.39288 12.55000       28.01752 25.35600 11.03098 28.28482 12.45556 -2.928816      16.63801 
1 1 1 16 7  -3  o 60.86275 7.433987 85.74036       18.14264 91.98345       22.87746 75.16000       29.78231 61.02019 9.462290 49.55014 14.04067 11.47005       16.93149 
1 1 1 16 7  -2  o 27.27625 10.70194 16.76048       17.43739 19.38904       21.89331 12.20000       28.83754 29.04337 11.78925 28.40927 12.56787 0.6341057      17.23188 
1 1 1 16 7  -1  f 34.13372 14.42506 33.15000       34.66307 33.15000       34.66307 0.000000       0.000000 34.13372 14.42506 ?        ?        ?              ?        
1 1 1 16 7  0   o 49.69387 9.163086 60.73132       17.95851 39.45914       22.10762 102.0000       30.79260 37.11822 12.39389 60.11256 12.89642 -22.99434      17.88648 
1 1 1 16 7  1   f 62.09249 7.319353 88.87842       18.25241 81.34570       22.65859 102.8000       30.80361 56.65310 10.13986 60.42077 12.84650 -3.767666      16.36610 
1 1 1 16 7  2   o 55.31467 8.283163 72.82404       18.18473 62.57358       22.68801 91.24000       30.41037 47.91389 11.67320 55.94091 13.44355 -8.027020      17.80429 
1 1 1 16 7  3   o 68.40727 6.675480 105.8001       18.46096 103.0310       23.09561 110.7000       30.72242 65.26711 8.871369 63.56952 12.24688 1.697590       15.12241 
1 1 1 16 7  4   o 35.68265 10.98445 34.28615       17.61957 26.45387       22.21781 47.56000       28.92381 31.61705 12.17018 38.85255 14.09671 -7.235498      18.62339 
1 1 1 16 7  5   o 34.53503 12.05023 33.33489       20.94258 63.04000       31.51969 9.856000       28.02239 43.83729 14.80041 27.65932 12.30404 16.17797       19.24686 
1 1 1 16 7  6   o 30.78808 11.64706 24.54586       20.12288 39.71000       28.96565 10.40000       27.97623 36.10376 13.89628 27.77615 12.32850 8.327610       18.57683 
1 1 1 16 7  7   o 59.90994 9.240273 88.07664       21.93970 70.72000       31.36772 104.7000       30.69797 46.87032 14.69337 61.18643 12.67003 -14.31612      19.40167 
1 1 1 16 7  8   o 27.03586 10.68858 16.21510       17.51117 -16.71224      22.01664 72.91000       28.88981 20.12034 9.599030 49.03276 13.80622 -28.91242      16.81526 
1 1 1 16 7  9   o 32.44900 11.09073 28.17813       17.70511 1.283775       22.04084 77.10000       29.72686 23.75416 10.71214 50.23043 13.95473 -26.47627      17.59217 
1 1 1 16 7  10  o 33.73958 11.10102 30.86916       17.75351 25.43789       22.06914 40.83000       29.88702 31.08548 12.08487 36.16209 14.06202 -5.076611      18.54143 
1 1 1 16 7  11  o 24.17672 10.79042 3.920720       21.73666 3.920720       21.73666 0.000000       0.000000 24.17672 10.79042 ?        ?        ?              ?        
1 1 1 16 7  12  o 39.93544 12.33847 46.90710       22.20689 46.90710       22.20689 0.000000       0.000000 39.93544 12.33847 ?        ?        ?              ?        
1 1 1 16 7  13  o 19.92199 9.535644 -16.21052      22.11013 -16.21052      22.11013 0.000000       0.000000 19.92199 9.535644 ?        ?        ?              ?        
1 1 1 16 7  14  o 26.18765 10.59710 15.76213       17.62653 30.79846       22.41710 -8.591000      28.52895 32.18404 12.26548 23.43999 11.10918 8.744055       16.54859 
1 1 1 16 7  15  o 32.52835 11.20165 30.83832       18.07018 4.272467       22.56515 78.33000       30.17068 23.76878 10.76715 47.68372 14.31251 -23.91494      17.91031 
1 1 1 16 7  16  o 27.49157 11.51330 19.24931       21.76821 -15.24000      32.39911 47.63000       29.39018 23.18081 11.20823 36.02746 13.96266 -12.84665      17.90476 
1 1 1 16 7  17  o 29.04244 11.04134 24.18568       18.13823 17.74489       23.29185 34.11000       28.91244 27.02556 11.63321 31.71109 13.27379 -4.685532      17.65007 
1 1 1 16 8  -13 o 31.97493 12.59003 33.46278       24.20718 33.46278       24.20718 0.000000       0.000000 31.97493 12.59003 ?        ?        ?              ?        
1 1 1 16 8  -12 o 38.25009 13.11742 49.66446       24.77199 49.66446       24.77199 0.000000       0.000000 38.25009 13.11742 ?        ?        ?              ?        
1 1 1 16 8  -11 o 54.04234 11.28027 82.80517       24.15421 82.80517       24.15421 0.000000       0.000000 54.04234 11.28027 ?        ?        ?              ?        
1 1 1 16 8  -10 o 27.65423 11.68586 18.67147       22.74557 18.67147       22.74557 0.000000       0.000000 27.65423 11.68586 ?        ?        ?              ?        
1 1 1 16 8  -9  o 35.84526 11.20799 37.04852       18.26348 32.51689       22.47438 45.86000       31.33898 32.72241 12.32425 35.88691 14.26338 -3.164494      18.85023 
1 1 1 16 8  -8  o 25.45802 10.50232 13.67752       17.72836 9.732089       22.19001 20.64000       29.47761 25.32771 11.12141 29.38221 12.86228 -4.054499      17.00365 
1 1 1 16 8  -7  o 27.46721 10.86404 18.40863       18.09831 27.30116       22.52841 2.225000       30.39176 31.11043 12.17672 25.95905 12.02886 5.151377       17.11625 
1 1 1 16 8  -6  o 37.58950 11.05856 39.35286       18.15556 45.40851       22.78059 28.81000       30.05826 38.75771 12.56361 31.87928 13.45051 6.878431       18.40545 
1 1 1 16 8  -5  o 33.02502 11.18194 30.22381       17.99197 -1.240271      22.40060 87.42000       30.20200 23.02280 10.54380 53.31977 13.74566 -30.29698      17.32383 
1 1 1 16 8  -4  o 22.92558 10.00623 5.205690       17.72536 10.86094       22.32137 -4.448000      29.16363 26.09594 11.31093 24.78068 11.58327 1.315256       16.18979 
1 1 1 16 8  -3  o 16.56234 8.048743 -21.90341      17.26355 -16.31686      21.48948 -32.07000      28.98959 19.78973 9.452887 20.85872 10.20078 -1.068998      13.90730 
1 1 1 16 8  -2  f 51.68198 9.047332 65.95673       18.44910 58.79834       22.77485 79.62000       31.46482 45.58400 12.02882 49.73476 14.53815 -4.150764      18.86930 
1 1 1 16 8  -1  o 54.76834 8.606698 72.76624       18.66556 69.31266       23.01704 79.40000       31.90028 50.50647 11.40076 49.42262 14.68925 1.083847       18.59439 
1 1 1 16 8  0   o 17.19865 8.296406 -19.03603      17.49949 -19.46487      21.70727 -18.24000      29.57494 19.40144 9.328786 22.88146 10.97247 -3.480026      14.40213 
1 1 1 16 8  1   o 21.69762 9.687992 1.090261       17.54118 -5.388257      21.82200 12.92000       29.48793 22.03385 10.20401 28.37702 12.62259 -6.343168      16.23120 
1 1 1 16 8  2   f 29.62470 11.06991 22.62729       18.05687 35.20140       22.47558 -0.2637000     30.32525 34.77821 12.45118 25.94662 12.02052 8.831596       17.30679 
1 1 1 16 8  3   o 25.64846 10.56823 12.94183       17.92303 1.959825       22.32973 32.83000       30.04971 23.84741 10.76559 33.41380 13.71708 -9.566391      17.43720 
1 1 1 16 8  4   o 20.09252 9.264692 -5.170594      17.70668 -19.88884      22.26755 20.14000       29.20085 19.54865 9.412025 29.87219 12.94242 -10.32354      16.00289 
1 1 1 16 8  5   o 28.57106 10.97638 20.59931       18.04834 22.51534       22.95911 17.50000       29.20024 29.71968 12.06948 29.11562 12.77204 0.6040592      17.57263 
1 1 1 16 8  6   o 57.89659 8.057193 80.41628       18.58439 74.26948       23.16781 91.51000       31.12426 52.23181 11.17055 54.08851 13.95916 -1.856697      17.87846 
1 1 1 16 8  7   o 21.72745 9.712472 1.844579       17.68366 1.505965       22.39769 2.405000       28.81429 23.46891 10.66911 25.59153 11.80686 -2.122618      15.91326 
1 1 1 16 8  8   o 33.02333 11.24043 31.12139       18.18301 23.06923       22.55467 46.07000       30.73128 29.43684 11.95972 36.34643 14.22309 -6.909592      18.58309 
1 1 1 16 8  9   o 27.13899 10.76779 18.29914       17.83095 12.50181       22.35006 28.45000       29.57442 25.99705 11.29280 31.12272 13.24537 -5.125668      17.40595 
1 1 1 16 8  10  o 22.08216 9.810133 4.049076       17.75451 -18.28620      22.32861 42.45000       29.27769 19.40578 9.363676 34.81036 13.80216 -15.40459      16.67867 
1 1 1 16 8  11  o 20.65400 9.427454 -0.8417189     17.71321 8.117090       22.67446 -14.87000      28.37357 24.58739 10.99393 22.08950 10.63257 2.497890       15.29438 
1 1 1 16 8  12  o 21.71671 9.769255 2.790235       18.20341 -13.33927      23.45515 27.22000       28.86604 20.47609 9.806365 30.02966 12.93872 -9.553577      16.23500 
1 1 1 16 8  13  o 23.23187 10.51645 4.745769       21.48079 -14.72000      32.37184 20.06000       28.71304 23.06541 11.16475 28.15185 12.49282 -5.086441      16.75477 
1 1 1 16 9  -7  o 25.75100 12.26722 0.7919000      35.68446 0.7919000      35.68446 0.000000       0.000000 25.75100 12.26722 ?        ?        ?              ?        
1 1 1 16 9  -6  o 23.44327 10.75095 3.222551       23.39594 3.222551       23.39594 0.000000       0.000000 23.44327 10.75095 ?        ?        ?              ?        
1 1 1 16 9  -5  o 20.45976 9.787621 -12.64746      23.22416 -12.64746      23.22416 0.000000       0.000000 20.45976 9.787621 ?        ?        ?              ?        
1 1 1 16 9  -4  o 33.42712 12.60827 36.73808       23.54162 36.73808       23.54162 0.000000       0.000000 33.42712 12.60827 ?        ?        ?              ?        
1 1 1 16 9  -3  o 27.07392 11.02363 18.93648       19.21142 20.78033       23.54105 15.26000       33.24139 28.04546 11.87159 27.83726 12.78409 0.2081947      17.44613 
1 1 1 16 9  -2  o 26.69058 11.49699 16.31565       22.77988 -14.73000      32.02043 48.13000       32.41442 23.10508 11.16453 35.38487 14.35172 -12.27979      18.18292 
1 1 1 16 9  -1  o 41.37743 11.29349 50.14553       19.66529 38.11243       24.44057 72.24000       33.11802 33.87286 12.83094 42.86964 15.13822 -8.996773      19.84436 
1 1 1 16 9  0   o 50.12349 11.97791 74.72913       24.24756 57.02000       35.59628 90.06000       33.11994 37.16762 15.05243 49.55589 15.02241 -12.38827      21.26613 
1 1 1 16 9  1   o 28.22961 11.10164 21.89788       18.80168 25.91890       23.44402 14.65000       31.47523 29.70345 12.14602 27.56685 12.57674 2.136595       17.48428 
1 1 1 16 9  2   o 34.93898 11.53447 37.06401       19.16129 57.39635       23.79909 -0.4036000     32.30686 42.27015 12.71715 25.14462 11.88879 17.12552       17.40888 
1 1 1 16 9  3   o 36.42449 11.43230 39.95194       18.98357 33.46517       23.59770 51.85000       31.95903 32.23867 12.50661 36.52563 14.43993 -4.286957      19.10306 
1 1 1 16 9  4   o 37.03196 11.52336 41.55630       19.33055 17.83432       23.96249 85.76000       32.71040 27.20982 11.75653 47.92945 15.00152 -20.71963      19.05942 
1 1 1 16 9  5   o 49.02830 9.903358 64.62772       19.19642 71.96476       24.08867 51.86000       31.77674 48.71004 12.12505 36.42224 14.39881 12.28780       18.82398 
1 1 1 16 9  6   o 45.08506 10.49988 56.80574       19.02132 21.99528       23.30895 126.2000       32.91013 28.25474 11.87848 63.55660 13.08205 -35.30186      17.67027 
1 1 1 16 9  7   o 35.16058 14.42792 49.41000       33.22649 49.41000       33.22649 0.000000       0.000000 35.16058 14.42792 ?        ?        ?              ?        
1 1 1 17 0  -28 o 46.90446 17.47585 78.34000       31.22424 78.34000       31.22424 78.34000       31.22424 46.90446 17.47585 46.90446 17.47585 0.000000       0.000000 
1 1 1 17 0  -27 o 48.81736 17.55130 81.98000       32.10270 81.98000       32.10270 81.98000       32.10270 48.81736 17.55130 48.81736 17.55130 0.000000       0.000000 
1 1 1 17 0  -26 o 18.06677 12.34839 -5.878000      28.68557 -5.878000      28.68557 -5.878000      28.68557 18.06677 12.34839 18.06677 12.34839 0.000000       0.000000 
1 1 1 17 0  -25 o 16.58294 11.55847 -15.94000      28.32650 -15.94000      28.32650 -15.94000      28.32650 16.58294 11.55847 16.58294 11.55847 0.000000       0.000000 
1 1 1 17 0  -24 o 32.90071 16.94180 43.76000       29.17009 43.76000       29.17009 43.76000       29.17009 32.90071 16.94180 32.90071 16.94180 0.000000       0.000000 
1 1 1 17 0  -23 o 15.80900 11.12443 -21.67000      28.12176 -21.67000      28.12176 -21.67000      28.12176 15.80900 11.12443 15.80900 11.12443 0.000000       0.000000 
1 1 1 17 0  -22 o 15.59109 10.92768 -19.07000      26.33567 -19.07000      26.33567 -19.07000      26.33567 15.59109 10.92768 15.59109 10.92768 0.000000       0.000000 
1 1 1 17 0  -21 o 18.84924 12.68577 -2.988000      27.99844 -2.988000      27.99844 -2.988000      27.99844 18.84924 12.68577 18.84924 12.68577 0.000000       0.000000 
1 1 1 17 0  -20 o 45.95769 17.05788 67.57000       29.80567 67.57000       29.80567 67.57000       29.80567 45.95769 17.05788 45.95769 17.05788 0.000000       0.000000 
1 1 1 17 0  -19 o 28.46967 16.26823 29.70000       29.85288 29.70000       29.85288 29.70000       29.85288 28.46967 16.26823 28.46967 16.26823 0.000000       0.000000 
1 1 1 17 0  -18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 0  -17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 0  -16 o 23.72750 14.87976 12.60000       30.00586 12.60000       30.00586 12.60000       30.00586 23.72750 14.87976 23.72750 14.87976 0.000000       0.000000 
1 1 1 17 0  -15 o 47.51348 18.30234 70.89000       33.72471 70.89000       33.72471 70.89000       33.72471 47.51348 18.30234 47.51348 18.30234 0.000000       0.000000 
1 1 1 17 0  -14 o 47.29391 18.34756 69.94000       33.79179 69.94000       33.79179 69.94000       33.79179 47.29391 18.34756 47.29391 18.34756 0.000000       0.000000 
1 1 1 17 0  -13 o 17.97898 12.48905 -22.67000      32.32780 -22.67000      32.32780 -22.67000      32.32780 17.97898 12.48905 17.97898 12.48905 0.000000       0.000000 
1 1 1 17 0  -12 o 22.49048 14.76783 0.4628000      34.20508 0.4628000      34.20508 0.4628000      34.20508 22.49048 14.76783 22.49048 14.76783 0.000000       0.000000 
1 1 1 17 0  -11 o 27.94905 16.70835 22.53000       33.94020 22.53000       33.94020 22.53000       33.94020 27.94905 16.70835 27.94905 16.70835 0.000000       0.000000 
1 1 1 17 0  -10 o 42.15191 19.40138 59.61000       36.72462 59.61000       36.72462 59.61000       36.72462 42.15191 19.40138 42.15191 19.40138 0.000000       0.000000 
1 1 1 17 0  -9  o 27.63850 16.83998 19.55000       35.84800 19.55000       35.84800 19.55000       35.84800 27.63850 16.83998 27.63850 16.83998 0.000000       0.000000 
1 1 1 17 0  -8  o 35.70357 18.79234 43.53000       36.45549 43.53000       36.45549 43.53000       36.45549 35.70357 18.79234 35.70357 18.79234 0.000000       0.000000 
1 1 1 17 0  -7  o 50.22330 19.21968 75.95000       37.29548 75.95000       37.29548 75.95000       37.29548 50.22330 19.21968 50.22330 19.21968 0.000000       0.000000 
1 1 1 17 0  -6  o 34.29501 18.37606 39.29000       35.38414 39.29000       35.38414 39.29000       35.38414 34.29501 18.37606 34.29501 18.37606 0.000000       0.000000 
1 1 1 17 0  -5  o 18.00055 12.60568 -31.77000      34.82650 -31.77000      34.82650 -31.77000      34.82650 18.00055 12.60568 18.00055 12.60568 0.000000       0.000000 
1 1 1 17 0  -4  o 92.61041 10.81995 188.5000       39.56833 188.5000       39.56833 188.5000       39.56833 92.61041 10.81995 92.61041 10.81995 0.000000       0.000000 
1 1 1 17 0  -3  o 39.78399 19.48589 52.80000       37.61347 52.80000       37.61347 52.80000       37.61347 39.78399 19.48589 39.78399 19.48589 0.000000       0.000000 
1 1 1 17 0  -2  o 24.49658 15.74533 5.014000       36.10396 5.014000       36.10396 5.014000       36.10396 24.49658 15.74533 24.49658 15.74533 0.000000       0.000000 
1 1 1 17 0  -1  o 68.55502 16.12601 116.2000       39.32502 116.2000       39.32502 116.2000       39.32502 68.55502 16.12601 68.55502 16.12601 0.000000       0.000000 
1 1 1 17 0  0   o 44.98942 20.01861 65.10000       39.02964 65.10000       39.02964 65.10000       39.02964 44.98942 20.01861 44.98942 20.01861 0.000000       0.000000 
1 1 1 17 0  1   o 56.98124 18.95506 90.76000       39.36757 90.76000       39.36757 90.76000       39.36757 56.98124 18.95506 56.98124 18.95506 0.000000       0.000000 
1 1 1 17 0  2   o 27.45481 16.87227 16.77000       36.68717 16.77000       36.68717 16.77000       36.68717 27.45481 16.87227 27.45481 16.87227 0.000000       0.000000 
1 1 1 17 0  3   o 126.9943 8.484335 341.5000       43.66031 341.5000       43.66031 341.5000       43.66031 126.9943 8.484335 126.9943 8.484335 0.000000       0.000000 
1 1 1 17 0  4   o 41.74301 19.31082 56.98000       36.40575 56.98000       36.40575 56.98000       36.40575 41.74301 19.31082 41.74301 19.31082 0.000000       0.000000 
1 1 1 17 0  5   o 45.63719 19.04945 64.93000       35.60118 64.93000       35.60118 64.93000       35.60118 45.63719 19.04945 45.63719 19.04945 0.000000       0.000000 
1 1 1 17 0  6   o 109.0873 9.093599 255.0000       39.94671 255.0000       39.94671 255.0000       39.94671 109.0873 9.093599 109.0873 9.093599 0.000000       0.000000 
1 1 1 17 0  7   o 92.16415 9.757449 185.0000       35.78713 185.0000       35.78713 185.0000       35.78713 92.16415 9.757449 92.16415 9.757449 0.000000       0.000000 
1 1 1 17 0  8   o 18.40187 12.62724 -17.24000      30.66475 -17.24000      30.66475 -17.24000      30.66475 18.40187 12.62724 18.40187 12.62724 0.000000       0.000000 
1 1 1 17 0  9   o 111.4426 8.269492 264.9000       37.24737 264.9000       37.24737 264.9000       37.24737 111.4426 8.269492 111.4426 8.269492 0.000000       0.000000 
1 1 1 17 0  10  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 0  11  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 0  12  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 0  13  o 43.98634 16.93799 58.95000       28.88820 58.95000       28.88820 58.95000       28.88820 43.98634 16.93799 43.98634 16.93799 0.000000       0.000000 
1 1 1 17 0  14  o 31.06608 16.24094 33.39000       27.08870 33.39000       27.08870 33.39000       27.08870 31.06608 16.24094 31.06608 16.24094 0.000000       0.000000 
1 1 1 17 0  15  o 84.42252 9.255872 157.8000       31.01868 157.8000       31.01868 157.8000       31.01868 84.42252 9.255872 84.42252 9.255872 0.000000       0.000000 
1 1 1 17 0  16  o 26.67834 15.19097 23.80000       25.90157 23.80000       25.90157 23.80000       25.90157 26.67834 15.19097 26.67834 15.19097 0.000000       0.000000 
1 1 1 17 0  17  o 59.25727 12.95494 87.44000       27.52859 87.44000       27.52859 87.44000       27.52859 59.25727 12.95494 59.25727 12.95494 0.000000       0.000000 
1 1 1 17 0  18  o 33.69573 16.82168 41.16000       28.26217 41.16000       28.26217 41.16000       28.26217 33.69573 16.82168 33.69573 16.82168 0.000000       0.000000 
1 1 1 17 0  19  o 70.20676 10.46507 115.0000       28.11869 115.0000       28.11869 115.0000       28.11869 70.20676 10.46507 70.20676 10.46507 0.000000       0.000000 
1 1 1 17 0  20  o 20.94862 13.33948 8.936000       25.17681 8.936000       25.17681 8.936000       25.17681 20.94862 13.33948 20.94862 13.33948 0.000000       0.000000 
1 1 1 17 0  21  o 33.15149 15.98925 40.59000       25.19049 40.59000       25.19049 40.59000       25.19049 33.15149 15.98925 33.15149 15.98925 0.000000       0.000000 
1 1 1 17 0  22  o 13.91075 9.511711 -7.256666      17.05829 -7.256666      17.05829 -7.256666      17.05829 13.91075 9.511711 13.91075 9.511711 0.000000       0.000000 
1 1 1 17 0  23  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 0  24  o 23.52589 13.17718 20.04851       19.07280 20.04851       19.07280 20.04851       19.07280 23.52589 13.17718 23.52589 13.17718 0.000000       0.000000 
1 1 1 17 0  25  o 77.44999 6.697718 131.5782       20.86031 131.5782       20.86031 131.5782       20.86031 77.44999 6.697718 77.44999 6.697718 0.000000       0.000000 
1 1 1 17 0  26  o 54.08804 10.13880 71.97906       20.14670 71.97906       20.14670 71.97906       20.14670 54.08804 10.13880 54.08804 10.13880 0.000000       0.000000 
1 1 1 17 0  27  o 18.55686 11.72438 8.798630       19.01381 8.798630       19.01381 8.798630       19.01381 18.55686 11.72438 18.55686 11.72438 0.000000       0.000000 
1 1 1 17 0  28  o 24.17526 13.39402 23.27039       19.45081 23.27039       19.45081 23.27039       19.45081 24.17526 13.39402 24.17526 13.39402 0.000000       0.000000 
1 1 1 17 1  -27 o 23.75086 10.62398 7.074670       21.19587 47.84000       30.17501 -32.63000      29.77986 35.57648 14.04159 20.27633 9.999593 15.30015       17.23828 
1 1 1 17 1  -26 o 48.17890 11.18444 65.79701       21.63922 86.17000       30.71890 45.73000       30.48736 50.34991 14.25717 35.47467 14.07835 14.87523       20.03664 
1 1 1 17 1  -25 f 25.53855 11.03335 11.26361       21.10114 -1.426000      29.83167 23.97000       29.85139 25.09631 11.72569 30.31730 13.11055 -5.220987      17.58916 
1 1 1 17 1  -24 o 24.91025 10.82455 8.296408       20.55017 22.36000       28.59071 -6.735000      29.55810 30.46612 12.99640 24.58936 11.54741 5.876753       17.38531 
1 1 1 17 1  -23 o 30.11112 11.70313 22.95509       20.69285 20.69000       29.20057 25.24000       29.32808 30.41280 13.05742 31.62202 13.31093 -1.209229      18.64610 
1 1 1 17 1  -22 o 22.47487 10.22054 -1.732444      20.57477 44.55000       29.51214 -45.50000      28.69913 37.67848 14.13719 19.45981 9.636905 18.21867       17.10936 
1 1 1 17 1  -21 o 26.43569 11.09886 12.60921       20.30717 13.85000       28.55751 11.34000       28.88261 28.75144 12.62093 28.24042 12.53103 0.5110245      17.78523 
1 1 1 17 1  -20 o 44.13050 11.36751 52.21972       20.66681 26.84000       29.37360 77.10000       29.08315 32.48999 13.47163 51.23810 13.62671 -18.74812      19.16173 
1 1 1 17 1  -19 o 24.92781 10.78033 6.571497       20.18463 9.710000       29.15125 3.681000       27.97578 28.56497 12.63643 26.89080 12.10265 1.674166       17.49724 
1 1 1 17 1  -18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 1  -17 o 49.07619 11.10754 60.41806       21.79880 60.11000       30.73189 60.73000       30.92534 45.77211 14.56900 45.96610 14.61294 -0.1939888     20.63477 
1 1 1 17 1  -16 o 24.13913 10.64150 1.047287       20.50275 5.693000       29.66564 -3.201000      28.36837 28.89534 12.76663 26.50888 12.03384 2.386465       17.54423 
1 1 1 17 1  -15 o 27.19396 12.42087 -5.609000      30.81414 0.000000       0.000000 -5.609000      30.81414 ?        ?        27.19396 12.42087 ?              ?        
1 1 1 17 1  -14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 1  -13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 1  -12 o 33.00623 12.36925 23.33905       22.57802 21.29000       34.27354 24.91000       30.00985 34.97992 14.53214 35.07621 13.95227 -0.9628296E-01 20.14570 
1 1 1 17 1  -11 o 26.00497 11.32220 2.009146       22.57464 49.88000       34.69689 -33.13000      29.72696 43.99677 15.49847 22.77010 10.94035 21.22667       18.97087 
1 1 1 17 1  -10 o 38.73018 12.73446 35.87777       23.36403 32.63000       35.66243 38.32000       30.92510 38.86765 15.28821 40.10779 14.57276 -1.240147      21.12095 
1 1 1 17 1  -9  o 35.62970 12.66783 28.38537       23.22471 15.46000       35.29047 38.26000       30.84581 34.42937 14.55276 40.29814 14.56640 -5.868771      20.59035 
1 1 1 17 1  -8  o 36.76001 12.67682 30.78042       23.14581 12.62000       35.52183 44.18000       30.51251 33.97933 14.49044 42.64220 14.55998 -8.662865      20.54181 
1 1 1 17 1  -7  o 30.06067 12.20169 12.89242       23.45081 19.24000       36.14468 8.278000       30.81758 35.90252 14.92018 31.47164 13.46098 4.430882       20.09502 
1 1 1 17 1  -6  o 36.81208 12.83248 30.27872       23.74666 43.09000       36.80249 21.14000       31.08304 42.98226 15.85200 35.18227 14.13027 7.799988       21.23559 
1 1 1 17 1  -5  o 52.38580 11.66604 64.20628       24.38187 54.52000       37.76438 71.13000       31.92810 46.93055 16.19219 53.73493 14.27165 -6.804379      21.58396 
1 1 1 17 1  -4  o 27.31304 11.67326 3.954349       23.14321 23.80000       36.90457 -8.909000      29.71149 37.62373 15.29371 27.32004 12.36751 10.30369       19.66858 
1 1 1 17 1  -3  o 33.74571 12.63441 22.38577       23.54483 -13.68000      37.03975 46.84000       30.49983 29.63141 13.56579 44.22899 14.55011 -14.59758      19.89312 
1 1 1 17 1  -2  o 21.14085 9.989581 -21.96902      22.74393 -39.87000      36.42514 -10.53000      29.11772 25.50859 12.21759 26.76855 12.16744 -1.259964      17.24286 
1 1 1 17 1  -1  o 65.91776 9.747886 96.77718       25.51863 104.2000       39.81033 91.60000       33.24744 64.95256 15.23361 61.93430 13.49256 3.018257       20.34974 
1 1 1 17 1  0   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 1  1   o 46.39502 12.53735 50.90796       24.37880 25.70000       38.77952 67.38000       31.34781 38.73857 15.70290 52.58687 14.21952 -13.84830      21.18433 
1 1 1 17 1  2   o 30.32825 12.26758 12.77614       23.61066 27.29000       37.51571 3.257000       30.38230 38.82363 15.54735 30.37519 13.18079 8.448437       20.38267 
1 1 1 17 1  3   o 77.32373 8.103667 129.7107       25.27707 130.3000       39.44136 129.3000       32.92815 74.05431 13.50442 75.51424 10.96977 -1.459923      17.39843 
1 1 1 17 1  4   o 40.25743 12.82072 37.81263       23.79611 43.14000       37.49577 34.22000       30.79157 43.32687 15.99681 39.52339 14.51285 3.803482       21.59909 
1 1 1 17 1  5   o 91.66483 6.860349 179.3573       25.56299 243.2000       40.00491 135.3000       33.23280 105.0184 9.402392 77.24599 10.80160 27.77237       14.32060 
1 1 1 17 1  6   o 74.79234 8.023826 121.7414       24.18956 117.7000       37.20766 124.7000       31.83554 70.00706 13.46865 73.99789 10.82712 -3.990829      17.28095 
1 1 1 17 1  7   o 39.48109 12.40798 36.70758       22.35489 32.95000       34.06440 39.55000       29.62716 39.28601 15.08301 40.98959 14.33056 -1.703579      20.80534 
1 1 1 17 1  8   o 55.23189 10.30510 69.97463       22.44891 63.27000       33.70544 75.32000       30.09548 49.80614 15.16618 55.43635 13.40642 -5.630203      20.24216 
1 1 1 17 1  9   o 27.48864 11.39319 8.634754       20.99706 9.797000       31.46783 7.702000       28.19041 31.84900 13.61181 30.14009 12.88251 1.708910       18.74141 
1 1 1 17 1  10  o 58.80442 9.489260 78.48672       22.07134 77.38000       32.72725 79.41000       29.89223 55.09304 14.36254 56.75709 13.12414 -1.664051      19.45573 
1 1 1 17 1  11  o 78.63609 7.153071 134.2808       22.78057 99.05000       33.73899 163.8000       30.88327 63.04346 13.47818 85.58746 8.944174 -22.54399      16.17590 
1 1 1 17 1  12  o 43.31000 11.29496 45.38596       20.23529 43.39000       30.21106 47.01000       27.25131 41.40771 14.47148 42.98153 13.72348 -1.573818      19.94386 
1 1 1 17 1  13  o 68.73602 7.539768 104.1981       20.87315 106.1000       30.88991 102.6000       28.31595 66.14150 11.84040 65.79701 10.89060 0.3444901      16.08726 
1 1 1 17 1  14  o 28.29158 11.25560 14.10901       19.53386 31.31000       28.59634 -0.9385000     26.74645 36.42408 13.85992 26.71420 11.94296 9.709875       18.29568 
1 1 1 17 1  15  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 1  16  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 1  17  o 15.95177 7.874111 -34.90579      18.61244 -57.02000      25.32639 -8.937000      27.44501 17.31014 8.649755 24.76951 11.46128 -7.459366      14.35894 
1 1 1 17 1  18  o 32.55053 10.16860 26.28328       15.03671 21.47549       17.64797 39.02000       28.72438 30.09511 10.99741 37.42304 13.96640 -7.327929      17.77649 
1 1 1 17 1  19  o 18.11428 8.343418 -6.577494      14.30477 -8.073634      17.24731 -3.280000      25.60514 19.57394 9.067183 24.59634 11.26756 -5.022392      14.46277 
1 1 1 17 1  20  o 27.69228 9.965670 18.34356       14.41867 24.01396       17.85679 7.720000       24.44171 30.69505 11.08461 26.39499 11.62808 4.300066       16.06489 
1 1 1 17 1  21  o 24.75321 9.799519 12.36808       14.73775 12.72070       18.41595 11.74000       24.57771 25.95319 10.70507 27.30390 11.85148 -1.350708      15.97048 
1 1 1 17 1  22  o 18.05082 8.569478 -13.69129      17.11573 -29.19000      24.45382 1.193000       23.96419 19.43596 9.475289 24.48834 11.09423 -5.052382      14.58983 
1 1 1 17 1  23  o 17.48118 8.397800 -17.77467      17.49887 -2.502000      24.85295 -32.79000      24.64268 23.95910 11.02170 19.03289 9.328157 4.926208       14.43927 
1 1 1 17 1  24  o 22.54483 9.895637 4.040229       17.55279 -9.100000      24.82834 17.17000       24.81845 22.52007 10.57805 28.50776 12.13313 -5.987690      16.09684 
1 1 1 17 1  25  f 38.94385 11.20911 42.95111       18.83662 26.48000       26.42379 59.97000       26.85958 30.79089 12.77311 42.98328 13.61298 -12.19238      18.66723 
1 1 1 17 1  26  o 30.29657 10.48719 25.61846       15.84635 25.04260       20.11688 26.56000       25.72287 29.64720 11.53453 30.14040 12.56108 -0.4932022     17.05363 
1 1 1 17 1  27  o 19.53956 8.902032 -1.141857      15.69910 0.8181088      19.90112 -4.371000      25.54447 21.79979 9.966518 22.64595 10.66590 -0.8461590     14.59770 
1 1 1 17 2  -25 o 31.72529 12.21245 31.53117       22.37318 11.63000       31.80325 51.03000       31.48012 27.02346 12.44465 36.45650 14.35648 -9.433048      18.99942 
1 1 1 17 2  -24 o 30.47829 11.96250 26.83395       21.79376 37.89000       30.96417 15.98000       30.67986 33.44543 13.84639 28.17918 12.67901 5.266251       18.77444 
1 1 1 17 2  -23 o 23.00770 10.41493 1.376853       21.06775 -1.974000      30.08560 4.601000       29.51130 25.22256 11.78166 26.25171 12.05208 -1.029156      16.85409 
1 1 1 17 2  -22 o 21.86792 10.05907 -3.981991      20.69661 -8.076000      29.62296 -0.7775000E-01 28.92826 24.45069 11.50659 25.62626 11.82549 -1.175571      16.49981 
1 1 1 17 2  -21 o 51.29031 10.67405 68.59515       21.68720 44.10000       30.75258 92.83000       30.58874 37.25158 14.32358 56.30541 13.45202 -19.05383      19.64998 
1 1 1 17 2  -20 o 21.61703 9.914309 -4.086845      19.90212 2.931000       28.62918 -10.65000      27.68619 26.34771 12.01058 23.55387 11.09676 2.793835       16.35213 
1 1 1 17 2  -19 o 34.94282 12.05041 34.13398       20.91491 -5.461000      29.80029 72.57000       29.36091 25.18181 11.75042 48.74189 13.98354 -23.56008      18.26505 
1 1 1 17 2  -18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 2  -17 o 30.78682 11.77562 23.21441       20.71076 15.28000       29.68454 30.74000       28.90969 29.88402 12.99753 34.01460 13.63901 -4.130581      18.84034 
1 1 1 17 2  -16 o 35.49892 12.21598 33.50580       21.48969 16.09000       30.18305 51.41000       30.60334 30.56494 13.20032 41.45163 14.55932 -10.88669      19.65253 
1 1 1 17 2  -15 o 28.11175 11.49875 14.34815       21.02007 -7.960000      29.69245 36.76000       29.76139 25.67246 11.89383 36.93381 14.11868 -11.26135      18.46078 
1 1 1 17 2  -14 o 106.4761 5.804033 244.5804       25.20933 218.2000       35.09577 272.7000       36.23423 97.27938 8.909516 109.8421 8.113387 -12.56271      12.05017 
1 1 1 17 2  -13 o 26.83858 11.26681 9.387369       20.92291 3.321000       30.08485 15.07000       29.11777 28.54571 12.72042 31.08003 13.18164 -2.534319      18.31843 
1 1 1 17 2  -12 o 28.33937 11.55909 13.11514       21.16762 30.50000       31.57919 -1.069000      28.52442 36.24840 14.34644 27.24092 12.24380 9.007486       18.86084 
1 1 1 17 2  -11 o 42.83157 12.00949 46.07240       21.90795 57.25000       32.74051 37.01000       29.48036 45.65596 15.07766 38.42194 14.18460 7.234024       20.70117 
1 1 1 17 2  -10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 2  -9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 2  -8  o 52.12943 11.61043 65.78694       24.14730 61.56000       37.07858 68.90000       31.82025 47.51531 16.05254 51.24025 14.51091 -3.724945      21.63910 
1 1 1 17 2  -7  o 30.94134 12.23629 17.34107       22.95589 43.02000       37.62915 2.119000       28.97161 41.73809 15.89489 28.72287 12.65649 13.01523       20.31832 
1 1 1 17 2  -6  o 77.39178 8.137695 132.0992       25.40278 147.6000       40.69088 122.2000       32.51784 77.59998 13.28326 72.05099 11.40089 5.548996       17.50501 
1 1 1 17 2  -5  o 65.87859 9.264865 97.83992       24.30281 168.3000       40.26765 57.47000       30.47991 84.30153 12.00410 47.38849 14.42069 36.91304       18.76312 
1 1 1 17 2  -4  o 65.18213 9.355278 95.79237       24.25479 92.20000       38.83431 98.09000       31.05735 59.16988 15.75092 63.94826 12.30738 -4.778381      19.98907 
1 1 1 17 2  -3  o 99.06792 6.654027 210.3102       26.83589 227.8000       42.26891 198.5000       34.73421 99.95345 10.48339 94.44542 9.093857 5.508026       13.87803 
1 1 1 17 2  -2  o 85.59108 7.421251 158.8030       25.75261 182.2000       41.45536 144.1000       32.86272 88.24979 11.76491 79.49874 10.34006 8.751045       15.66302 
1 1 1 17 2  -1  o 157.8654 5.254784 523.9741       33.92037 510.0000       51.89179 534.4000       44.82225 152.7568 8.327590 157.8920 6.949834 -5.135223      10.84661 
1 1 1 17 2  0   o 41.39817 16.35509 38.03000       40.97318 38.03000       40.97318 0.000000       0.000000 41.39817 16.35509 ?        ?        ?              ?        
1 1 1 17 2  1   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 2  2   o 78.09306 8.035080 133.6180       25.32749 139.2000       40.73463 130.1000       32.33840 75.37902 13.70198 75.13987 10.82217 0.2391510      17.46035 
1 1 1 17 2  3   o 65.50668 9.358556 96.63006       24.38996 59.69000       39.23267 119.9000       31.13843 47.63164 16.50062 71.98640 10.90496 -24.35476      19.77849 
1 1 1 17 2  4   o 102.2189 6.376418 223.1776       26.55609 227.9000       41.87263 220.0000       34.34747 100.0048 10.37613 99.92766 8.474138 0.7717896E-01  13.39683 
1 1 1 17 2  5   o 42.93767 12.14348 44.80088       22.29950 51.53000       35.17710 40.28000       28.83315 44.78089 15.61797 40.65114 14.14209 4.129749       21.06940 
1 1 1 17 2  6   o 43.12416 12.01987 45.25254       22.01566 49.50000       34.91810 42.45000       28.36359 43.94736 15.54188 41.38487 14.03948 2.562492       20.94414 
1 1 1 17 2  7   o 28.46848 11.52646 12.36287       20.86691 4.938000       32.74452 17.44000       27.07718 30.73919 13.50332 32.17952 13.09289 -1.440327      18.80860 
1 1 1 17 2  8   o 24.12901 10.59687 -0.2891575E-01 20.15403 2.756000       31.29690 -2.002000      26.34318 29.63269 13.10172 26.58770 11.87184 3.044992       17.68038 
1 1 1 17 2  9   o 30.78338 11.63587 19.50433       20.07480 22.88000       30.25749 16.85000       26.83056 34.34458 13.88912 31.68179 12.97880 2.662788       19.00939 
1 1 1 17 2  10  o 32.15964 11.61781 23.20432       19.61828 42.51000       29.18361 7.287000       26.49913 40.64841 14.22207 28.71781 12.38538 11.93060       18.85908 
1 1 1 17 2  11  o 29.52331 11.34668 17.47601       19.29190 -8.802000      28.18813 40.63000       26.45958 25.64288 11.77487 39.78624 13.55911 -14.14336      17.95820 
1 1 1 17 2  12  o 48.49630 7.778768 53.00226       14.92493 52.29474       17.79582 54.68000       27.40378 47.12711 9.549478 45.35699 13.64640 1.770119       16.65583 
1 1 1 17 2  13  o 18.85723 8.535310 -4.713456      14.14555 1.047367       16.94259 -17.97000      25.70115 22.34528 9.767255 22.58984 10.65756 -0.2445526     14.45624 
1 1 1 17 2  14  o 60.87504 6.321478 81.15737       15.52816 85.60845       18.63344 71.04000       28.09273 61.72918 7.527359 51.52267 13.24387 10.20651       15.23356 
1 1 1 17 2  15  o 30.74079 11.28171 22.30661       18.60291 39.79000       25.85120 3.529000       26.79095 38.19171 13.38379 26.95556 12.00836 11.23615       17.98129 
1 1 1 17 2  16  o 40.77241 11.07546 43.06441       18.96618 25.89000       26.25083 61.82000       27.43263 32.68383 13.03323 46.58704 13.56245 -13.90321      18.80970 
1 1 1 17 2  17  o 16.87327 8.167017 -21.65682      17.31602 -9.977000      24.39374 -33.52000      24.58447 22.71225 10.60898 19.16976 9.378844 3.542486       14.16027 
1 1 1 17 2  18  o 20.16858 9.260918 -5.360069      17.43518 9.979000       24.49958 -21.10000      24.81764 26.97750 11.76954 20.84882 10.01177 6.128681       15.45178 
1 1 1 17 2  19  o 20.08035 9.792904 -30.44000      26.18611 -30.44000      26.18611 0.000000       0.000000 20.08035 9.792904 ?        ?        ?              ?        
1 1 1 17 2  20  o 21.44016 10.35032 -23.79000      27.36252 -23.79000      27.36252 0.000000       0.000000 21.44016 10.35032 ?        ?        ?              ?        
1 1 1 17 2  21  o 72.66870 10.95107 137.5000       31.57458 137.5000       31.57458 0.000000       0.000000 72.66870 10.95107 ?        ?        ?              ?        
1 1 1 17 2  22  o 14.40507 7.126917 -29.22978      15.56045 -42.29863      19.62803 -7.122000      25.52882 15.30334 7.642032 23.19505 10.84057 -7.891708      13.26343 
1 1 1 17 2  23  o 22.24327 9.610362 5.703536       16.01140 16.50262       20.23932 -12.36000      26.17602 27.14884 11.21276 22.24590 10.57158 4.902941       15.41052 
1 1 1 17 2  24  o 20.76216 9.273350 1.691145       16.08568 11.66831       20.27868 -15.24000      26.41673 25.19141 10.84930 21.56520 10.34885 3.626217       14.99353 
1 1 1 17 2  25  o 23.10089 9.817245 9.450438       16.20637 0.6703080E-01  20.42702 25.39000       26.62336 21.89224 10.04189 29.55169 12.57162 -7.659445      16.08992 
1 1 1 17 3  -24 o 25.14039 11.88637 0.9080000      32.28843 0.9080000      32.28843 0.000000       0.000000 25.14039 11.88637 ?        ?        ?              ?        
1 1 1 17 3  -23 o 29.51931 11.93226 25.25987       22.32057 32.54000       32.48638 18.75000       30.71976 31.44238 13.63680 28.32536 12.72077 3.117018       18.64887 
1 1 1 17 3  -22 o 16.66439 8.270038 -36.91299      21.56119 -62.71000      31.23079 -13.42000      29.80352 18.44118 9.269785 22.98510 11.02022 -4.543926      14.40049 
1 1 1 17 3  -21 f 42.92942 12.33761 54.56920       22.83672 27.90000       32.99232 79.10000       31.64198 31.67902 13.74098 48.48551 14.68034 -16.80649      20.10789 
1 1 1 17 3  -20 o 19.29939 9.259180 -18.26822      21.11658 -19.82000      30.67234 -16.87000      29.11519 23.04482 11.08280 22.90695 10.95848 0.1378632      15.58579 
1 1 1 17 3  -19 o 41.12617 12.19223 48.20853       21.99912 39.79000       31.75245 55.98000       30.50777 35.78109 14.31203 41.39099 14.53668 -5.609901      20.39974 
1 1 1 17 3  -18 o 36.78489 12.37695 38.78873       22.04289 64.25000       31.31090 13.77000       31.03760 44.37146 14.74809 29.18241 12.96724 15.18904       19.63811 
1 1 1 17 3  -17 o 49.96886 10.83408 65.48903       21.52732 81.08000       30.09825 49.16000       30.80242 51.83191 13.89767 39.03867 14.48329 12.79325       20.07264 
1 1 1 17 3  -16 o 28.79751 11.50464 19.10841       20.49197 -0.3307000     28.94570 38.64000       29.01447 25.90315 11.90820 35.91251 13.88534 -10.00936      18.29229 
1 1 1 17 3  -15 f 35.80403 12.04480 35.38894       20.87571 32.00000       29.56182 38.76000       29.48376 34.06988 13.74620 36.19833 13.99682 -2.128448      19.61808 
1 1 1 17 3  -14 o 47.19621 11.14142 57.99500       21.18345 65.60000       29.95792 50.39000       29.95792 46.65733 14.31583 40.70237 14.39561 5.954956       20.30213 
1 1 1 17 3  -13 o 24.12545 10.68072 2.317166       20.86522 5.955000       28.83023 -1.684000      30.23569 27.83610 12.42510 26.71355 12.23993 1.122557       17.44130 
1 1 1 17 3  -12 o 36.97750 12.04161 35.97975       20.91369 19.22000       28.35959 55.96000       30.96468 31.29769 13.12655 43.54465 14.66949 -12.24696      19.68503 
1 1 1 17 3  -11 o 21.84247 10.01820 -7.010058      20.32485 -29.75000      27.60766 19.90000       30.03255 21.49587 10.38198 32.14584 13.49689 -10.64997      17.02796 
1 1 1 17 3  -10 o 26.79312 11.16890 10.26798       20.34444 -22.42000      28.14255 46.05000       29.44434 22.90961 10.90812 40.87313 14.28653 -17.96352      17.97476 
1 1 1 17 3  -9  o 35.65859 11.94284 31.72451       20.52560 17.58000       29.03736 45.85000       29.01782 31.73404 13.29422 41.10948 14.19329 -9.375441      19.44700 
1 1 1 17 3  -8  o 57.18253 9.576561 76.58445       21.63101 47.47000       31.30067 103.2000       29.92727 41.78238 14.72026 64.65011 11.73723 -22.86773      18.82681 
1 1 1 17 3  -7  f 58.45400 9.197183 78.95802       21.28728 54.76000       30.90593 100.8000       29.36283 44.79275 14.64170 64.16843 11.60206 -19.37568      18.68120 
1 1 1 17 3  -6  o 40.23517 14.53099 42.15000       30.68772 0.000000       0.000000 42.15000       30.68772 ?        ?        40.23517 14.53099 ?              ?        
1 1 1 17 3  -5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 3  -4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 3  -3  o 38.53672 12.13784 36.71626       21.38074 48.73000       31.53055 26.49000       29.09048 42.90955 14.79592 35.06069 13.80266 7.848862       20.23445 
1 1 1 17 3  -2  o 62.27346 8.963531 88.23370       22.19881 93.15000       32.99947 84.17000       30.00190 60.22216 13.69299 57.75163 13.00134 2.470528       18.88208 
1 1 1 17 3  -1  o 22.36743 10.23960 -8.600842      21.09882 -8.865000      31.88160 -8.395000      28.14331 27.33719 12.54165 25.87257 11.83740 1.464615       17.24578 
1 1 1 17 3  0   o 59.10288 9.957711 81.30406       23.24296 57.55000       35.12373 99.81000       31.00182 45.93194 15.62268 63.69093 12.33304 -17.75899      19.90407 
1 1 1 17 3  1   o 30.90508 11.97064 18.97249       21.59307 33.47000       32.38535 7.369000       28.97318 37.83046 14.65812 29.69767 12.87923 8.132793       19.51243 
1 1 1 17 3  2   o 73.83580 7.751142 120.6373       23.08559 108.6000       35.00755 129.9000       30.70907 65.34708 13.52897 74.60005 10.33006 -9.252975      17.02184 
1 1 1 17 3  3   o 48.14413 11.31745 56.50411       21.93214 11.44000       32.81157 92.90000       29.48749 31.82168 13.75315 61.44045 12.15148 -29.61877      18.35232 
1 1 1 17 3  4   o 69.98104 7.760081 108.7054       21.86342 112.0000       32.55935 106.0000       29.50490 67.44041 12.24117 66.43753 11.24652 1.002876       16.62319 
1 1 1 17 3  5   o 22.00355 9.388176 2.889870       14.92411 9.129273       18.12654 -10.24000      26.29503 25.89718 10.64491 24.55144 11.30969 1.345741       15.53136 
1 1 1 17 3  6   o 37.67950 9.601936 33.65435       14.85528 49.15784       17.80218 -1.896000      26.95754 45.57714 9.828399 26.53755 11.91725 19.03959       15.44728 
1 1 1 17 3  7   f 18.00913 8.319731 -8.621364      14.37638 -17.68574      17.26444 11.88000       25.96420 17.97433 8.554130 29.56684 12.48926 -11.59250      15.13786 
1 1 1 17 3  8   o 34.34344 11.57035 28.65057       19.26323 14.08000       28.03064 41.69000       26.51698 30.68069 12.96910 39.89978 13.57424 -9.219093      18.77385 
1 1 1 17 3  9   o 53.18681 9.393046 66.42651       19.70886 60.34000       28.05166 72.36000       27.69681 47.25153 13.70263 52.62374 12.94435 -5.372208      18.84988 
1 1 1 17 3  10  o 48.07237 10.16389 55.98807       19.38044 72.81000       27.31703 38.94000       27.50003 52.70288 12.78961 38.31117 13.76595 14.39171       18.79030 
1 1 1 17 3  11  o 22.84426 10.09741 0.4329162      18.57651 -1.188000      25.64638 2.222000       26.94394 25.60830 11.55108 26.86985 12.00154 -1.261551      16.65727 
1 1 1 17 3  12  o 48.04375 7.877217 53.13303       14.95995 55.80540       17.78188 46.66000       27.67470 48.22849 9.341800 40.57883 13.86612 7.649658       16.71941 
1 1 1 17 3  13  o 21.43950 9.199145 3.489174       14.47671 3.782218       17.27515 2.798000       26.53073 22.94722 9.948360 26.39994 11.84161 -3.452715      15.46588 
1 1 1 17 3  14  o 26.66051 10.03750 15.73135       14.90495 23.01306       18.19324 0.8679000      25.99280 30.52892 11.16442 25.57638 11.57397 4.952547       16.08108 
1 1 1 17 3  15  f 40.81513 11.13946 44.38757       19.13309 48.57000       26.98594 40.16000       27.13119 40.17265 13.69327 36.89267 13.60988 3.279976       19.30633 
1 1 1 17 3  16  o 28.55195 10.27911 20.02243       15.34168 15.25265       18.60399 30.16000       27.12214 26.98742 10.89908 33.18670 13.24311 -6.199276      17.15138 
1 1 1 17 3  17  o 76.65639 10.78176 151.6000       32.90855 151.6000       32.90855 0.000000       0.000000 76.65639 10.78176 ?        ?        ?              ?        
1 1 1 17 3  18  o 20.50764 9.157576 -0.2541381     15.67709 7.074605       19.25400 -14.67000      27.00391 24.31892 10.52294 22.63764 10.75190 1.681280       15.04446 
1 1 1 17 3  19  o 107.7146 5.682154 255.1455       24.97315 301.4000       37.25463 217.4000       33.65394 113.2013 8.090534 95.07608 8.742309 18.12521       11.91154 
1 1 1 17 3  20  o 23.22212 9.801232 7.943779       15.96939 7.055134       19.78280 9.606000       27.05628 24.31984 10.59361 27.09105 12.06826 -2.771212      16.05825 
1 1 1 17 3  21  f 32.36184 10.65024 28.62829       16.34060 15.62554       20.36687 52.12000       27.37562 26.87077 11.18608 39.81931 13.78401 -12.94854      17.75182 
1 1 1 17 3  22  o 35.20067 10.55407 34.61311       16.41238 23.41231       20.52210 54.49000       27.33829 29.24160 11.56778 39.93977 13.77700 -10.69816      17.98942 
1 1 1 17 3  23  o 24.76733 10.13893 13.73480       16.35886 0.1074224      20.45333 37.93000       27.25351 21.94481 10.05944 33.33267 13.28382 -11.38786      16.66290 
1 1 1 17 3  24  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 4  -22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 4  -21 o 30.17389 12.02873 27.32664       22.35368 21.02000       32.55902 32.95000       30.74469 28.87712 13.02124 31.50072 13.45850 -2.623600      18.72656 
1 1 1 17 4  -20 o 20.59976 9.769531 -10.57403      22.13384 -3.674000      32.88309 -16.29000      29.92899 25.09192 11.90225 22.53035 10.86373 2.561571       16.11472 
1 1 1 17 4  -19 o 21.39628 9.989811 -6.370009      21.58995 -15.22000      31.46048 1.508000       29.68262 23.46574 11.26945 25.54507 11.85452 -2.079332      16.35635 
1 1 1 17 4  -18 o 28.67663 11.75306 19.62449       22.01464 37.72000       32.62890 4.504000       29.82634 34.48732 14.23962 26.52280 12.15412 7.964527       18.72136 
1 1 1 17 4  -17 o 31.24230 12.01461 26.05319       21.63914 5.753000       31.40636 44.40000       29.85712 27.42546 12.53157 37.23885 14.16401 -9.813395      18.91189 
1 1 1 17 4  -16 o 26.45734 11.18844 12.43313       20.87600 26.54000       30.47687 -0.3639000E-01 28.65364 32.09242 13.54232 25.72188 11.83330 6.370544       17.98392 
1 1 1 17 4  -15 o 35.85873 12.05484 36.22421       20.91072 30.58000       30.12849 41.47000       29.04568 33.25456 13.70212 36.68193 13.96593 -3.427372      19.56516 
1 1 1 17 4  -14 o 35.35758 11.97227 35.02549       20.62517 25.13000       29.69407 44.25000       28.66969 31.72421 13.37605 37.70168 13.97557 -5.977470      19.34517 
1 1 1 17 4  -13 o 18.75128 9.004216 -19.11493      20.07004 -3.409000      29.25450 -33.08000      27.58561 25.38653 11.77674 20.37381 9.960883 5.012716       15.42435 
1 1 1 17 4  -12 f 33.26845 11.78865 29.86802       20.09795 59.71000       29.31635 3.406000       27.60626 43.74798 14.25759 26.31358 11.91567 17.43440       18.58123 
1 1 1 17 4  -11 o 59.62009 8.963143 85.53868       21.20499 65.13000       30.72549 104.1000       29.30190 45.68743 14.57035 62.57393 11.87027 -16.88651      18.79357 
1 1 1 17 4  -10 o 21.14029 9.741531 -6.598852      19.53135 -0.3046000     28.09003 -12.49000      27.17566 26.04278 11.88132 23.44951 11.03095 2.593269       16.21258 
1 1 1 17 4  -9  o 22.57472 10.14322 -1.135378      19.55878 9.859000       27.77500 -11.95000      27.54700 28.35060 12.44583 23.81254 11.17151 4.538063       16.72428 
1 1 1 17 4  -8  o 39.95987 11.66508 42.15299       20.26932 40.13000       28.41108 44.25000       28.92615 37.74179 13.92648 39.19630 14.11405 -1.454517      19.82809 
1 1 1 17 4  -7  o 72.53938 7.439476 118.7456       21.78461 81.79000       29.84309 160.9000       31.87319 54.50482 13.45409 82.05018 9.672502 -27.54536      16.57015 
1 1 1 17 4  -6  f 22.46632 9.435029 5.519858       14.68151 6.397537       17.22528 3.189000       28.07091 23.99791 10.15647 27.34706 12.22983 -3.349148      15.89725 
1 1 1 17 4  -5  o 22.09660 9.236919 5.361633       13.97249 11.65450       16.16185 -13.26000      27.80197 25.64604 10.22658 24.11773 11.28518 1.528311       15.22952 
1 1 1 17 4  -4  o 63.12306 8.450691 91.55684       21.29437 53.82000       29.53665 132.4000       30.72827 43.70834 14.31527 74.11012 10.41277 -30.40178      17.70177 
1 1 1 17 4  -3  o 14.95786 7.284414 -22.28289      14.34589 -14.26459      16.89211 -43.03000      27.17200 18.28298 8.630064 19.71770 9.690327 -1.434723      12.97615 
1 1 1 17 4  -2  o 46.65899 8.447393 50.38248       15.54519 57.66862       18.38654 32.12000       29.10925 49.31557 9.449105 35.92894 13.90359 13.38663       16.81057 
1 1 1 17 4  -1  o 90.31445 6.075819 176.8416       22.33840 186.9000       29.72987 163.8000       33.85267 90.98077 8.063719 82.93037 10.18254 8.050400       12.98876 
1 1 1 17 4  0   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 4  1   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 4  2   o 43.95885 14.64878 54.71000       30.88645 54.71000       30.88645 0.000000       0.000000 43.95885 14.64878 ?        ?        ?              ?        
1 1 1 17 4  3   o 58.59904 9.306473 80.64291       21.58488 43.81000       30.37813 118.2000       30.67531 39.92454 14.45223 69.29966 11.19141 -29.37512      18.27880 
1 1 1 17 4  4   o 15.71380 7.584132 -19.35167      14.67051 -22.27380      17.24889 -11.71000      27.89366 16.97731 8.201259 24.50783 11.41334 -7.530523      14.05436 
1 1 1 17 4  5   o 35.23370 9.954892 30.42139       14.99339 33.57300       17.70788 22.44000       28.17990 36.50982 10.96639 32.50259 13.30651 4.007225       17.24312 
1 1 1 17 4  6   f 48.33410 7.998538 53.79605       15.27709 59.24957       18.04200 39.98000       28.71696 49.95464 9.157696 38.12329 14.01262 11.83135       16.73968 
1 1 1 17 4  7   o 21.95654 9.331603 4.378066       14.64445 3.898643       17.26232 5.609000       27.66033 23.10415 9.980501 27.63297 12.26216 -4.528820      15.81047 
1 1 1 17 4  8   o 64.52486 6.161728 91.61514       16.08250 80.34674       19.07675 119.3000       29.90159 58.94160 8.119711 69.02483 10.94420 -10.08322      13.62737 
1 1 1 17 4  9   o 21.51480 9.280554 3.189538       14.88383 3.290064       17.69096 2.946000       27.53556 22.94378 10.00566 26.69467 12.01134 -3.750891      15.63284 
1 1 1 17 4  10  o 58.06798 6.918542 76.13589       16.12722 66.97678       19.17200 98.30000       29.82402 52.60355 9.237645 60.35892 12.47947 -7.755379      15.52647 
1 1 1 17 4  11  o 25.13307 10.03446 12.26196       15.57956 5.238647       18.84048 27.45000       27.70588 23.81908 10.35730 32.67984 13.26338 -8.860760      16.82828 
1 1 1 17 4  12  f 25.42828 10.12159 13.02189       15.80385 1.043191       19.17303 38.41000       27.91266 22.66777 10.12438 36.03974 13.69807 -13.37197      17.03350 
1 1 1 17 4  13  o 26.12565 10.19545 14.84139       15.75535 11.35700       19.07578 22.32000       27.94662 25.68067 10.76788 30.84411 12.98915 -5.163433      16.87202 
1 1 1 17 4  14  o 18.74672 8.660248 -6.457145      15.57578 -11.77743      19.11516 4.055000       26.86928 19.55952 9.216640 26.06236 11.78324 -6.502838      14.95965 
1 1 1 17 4  15  o 31.68719 10.61318 26.26262       16.20956 11.94265       19.76055 55.72000       28.34164 26.03372 10.94042 42.14449 14.03204 -16.11078      17.79300 
1 1 1 17 4  16  o 29.18878 10.65071 21.41502       16.54387 0.3521943      20.36255 62.32000       28.37670 22.86071 10.30389 44.73218 13.96825 -21.87147      17.35748 
1 1 1 17 4  17  o 20.63648 9.265038 -0.6231109     16.28303 -23.67402      19.93383 45.60000       28.22776 17.85738 8.671338 37.95032 13.90204 -20.09294      16.38471 
1 1 1 17 4  18  o 19.61309 8.982505 -3.915700      16.25930 -6.938087      20.29333 1.503000       27.17228 20.92599 9.741822 25.22002 11.57332 -4.294022      15.12762 
1 1 1 17 4  19  o 35.83452 10.54193 35.34682       16.49905 37.09655       20.50089 32.13000       27.79725 35.35117 11.93628 32.45526 13.24301 2.895916       17.82840 
1 1 1 17 4  20  o 49.15063 8.908604 61.24692       17.26928 76.18958       21.46410 33.82000       29.07953 53.40596 10.18681 32.28688 13.39718 21.11908       16.83020 
1 1 1 17 4  21  o 48.07452 9.161745 59.88103       17.37682 49.44064       21.75109 78.30000       28.89052 39.72023 12.20040 47.93893 13.90719 -8.218700      18.50026 
1 1 1 17 4  22  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 5  -19 o 27.77915 11.89400 20.10489       24.10595 4.938000       35.14469 33.58000       33.12665 26.31785 12.43040 31.35911 13.68335 -5.041258      18.48646 
1 1 1 17 5  -18 o 17.47855 8.410243 -15.80146      17.71666 -5.348800      21.67548 -36.84000      30.75127 21.26238 9.954080 20.30202 10.03981 0.9603577      14.13794 
1 1 1 17 5  -17 o 25.50162 10.46689 14.49283       17.49215 5.048792       21.31515 33.97000       30.61065 23.63538 10.60682 32.35561 13.60808 -8.720230      17.25353 
1 1 1 17 5  -16 o 54.14356 8.521823 72.08934       18.26939 84.87952       22.43766 46.93000       31.46943 57.17728 9.944512 36.57849 14.36936 20.59879       17.47489 
1 1 1 17 5  -15 o 23.73954 10.10779 8.506033       17.23631 4.793678       21.10570 15.94000       29.86657 23.98182 10.67252 28.83124 12.77057 -4.849419      16.64302 
1 1 1 17 5  -14 o 79.52749 7.064195 145.1421       22.76495 182.7000       31.74907 105.4000       32.65922 86.31554 9.120698 59.45276 13.69749 26.86278       16.45625 
1 1 1 17 5  -13 o 22.20271 9.730437 3.484105       16.91283 14.59692       20.41126 -20.86000      30.21028 27.00047 11.21568 22.85934 10.99499 4.141134       15.70609 
1 1 1 17 5  -12 o 35.99051 10.95522 34.91243       17.58909 27.81565       21.52853 49.16000       30.50381 32.10239 12.06828 39.02631 14.42496 -6.923912      18.80752 
1 1 1 17 5  -11 o 26.45644 11.07602 12.90912       20.13570 1.547000       27.68483 25.67000       29.33950 25.78601 11.77608 31.83734 13.35205 -6.051325      17.80318 
1 1 1 17 5  -10 o 38.12420 14.12366 45.72000       29.27249 0.000000       0.000000 45.72000       29.27249 ?        ?        38.12420 14.12366 ?              ?        
1 1 1 17 5  -9  o 26.74286 12.07776 5.469000       28.13915 0.000000       0.000000 5.469000       28.13915 ?        ?        26.74286 12.07776 ?              ?        
1 1 1 17 5  -8  o 44.73619 14.17953 62.58000       29.13668 0.000000       0.000000 62.58000       29.13668 ?        ?        44.73619 14.17953 ?              ?        
1 1 1 17 5  -7  o 34.03108 12.18518 31.97964       21.52619 -1.127000      33.31838 55.70000       28.20247 27.04051 12.55231 42.44237 13.99279 -15.40186      18.79783 
1 1 1 17 5  -6  o 40.46020 12.03064 45.60627       21.39433 16.22000       32.53243 68.00000       28.39929 30.24614 13.36609 47.63000 13.77982 -17.38385      19.19729 
1 1 1 17 5  -5  o 32.29178 10.62200 26.99809       16.25481 30.19442       19.97382 20.73000       27.97070 33.51624 11.76294 30.67174 12.95977 2.844496       17.50207 
1 1 1 17 5  -4  o 30.56078 10.58605 23.57590       16.14774 10.15991       19.59247 51.99000       28.51313 25.64910 10.84247 41.24816 14.07507 -15.59906      17.76702 
1 1 1 17 5  -3  o 28.79507 10.49986 19.95341       16.07457 16.00540       19.57044 28.14000       28.18141 27.73149 11.18606 33.02800 13.38694 -5.296505      17.44529 
1 1 1 17 5  -2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 5  -1  o 28.73045 11.29196 18.53794       19.44194 18.53794       19.44194 0.000000       0.000000 28.73045 11.29196 ?        ?        ?              ?        
1 1 1 17 5  0   o 110.7152 5.320569 265.3325       24.05008 287.4000       32.43968 238.4000       35.83750 112.9709 7.047809 100.3543 8.810553 12.61661       11.28262 
1 1 1 17 5  1   o 30.07887 11.28413 22.03040       18.80085 32.16000       24.53729 7.628000       29.25821 34.37780 12.89237 27.99134 12.50413 6.386463       17.96014 
1 1 1 17 5  2   o 59.75026 8.419946 84.20409       20.02979 105.0000       26.83414 58.04000       30.09896 64.60023 10.50506 43.36671 14.46106 21.23352       17.87396 
1 1 1 17 5  3   o 30.60900 11.43200 23.32065       19.25259 -4.394000      25.42385 60.58000       29.47842 24.14933 11.12312 44.49807 14.28003 -20.34874      18.10092 
1 1 1 17 5  4   o 49.44680 8.952781 59.15198       17.45959 51.90150       21.16392 74.60000       30.89223 43.87614 11.60382 49.45296 14.39096 -5.576817      18.48644 
1 1 1 17 5  5   o 48.25607 8.913489 56.44423       16.96398 69.34885       20.44765 27.95000       30.38431 52.75457 9.827330 32.93309 13.68238 19.82148       16.84589 
1 1 1 17 5  6   o 33.21183 11.86934 29.75194       20.41471 29.75194       20.41471 0.000000       0.000000 33.21183 11.86934 ?        ?        ?              ?        
1 1 1 17 5  7   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17 5  8   o 60.94878 9.050790 90.36798       21.90303 90.36798       21.90303 0.000000       0.000000 60.94878 9.050790 ?        ?        ?              ?        
1 1 1 17 5  9   o 23.75936 10.51744 3.828409       20.22648 8.640000       28.12756 -1.324000      29.10669 27.42745 12.25564 25.68101 11.85473 1.746447       17.05096 
1 1 1 17 5  10  o 34.61285 12.07004 33.52608       21.00969 18.37000       29.92941 48.25000       29.49963 30.04097 13.05857 38.98110 14.22248 -8.940132      19.30817 
1 1 1 17 5  11  o 29.51802 10.77085 21.98374       16.91923 7.469440       20.59329 52.13000       29.67867 24.90728 10.82946 40.34830 14.32277 -15.44102      17.95602 
1 1 1 17 5  12  o 27.98099 10.61249 18.75124       16.73229 25.12792       20.54221 6.180000       28.84291 31.00305 11.75877 27.03138 12.21608 3.971674       16.95587 
1 1 1 17 5  13  o 30.28139 10.79434 23.75589       16.87351 35.48941       20.82551 1.333000       28.78905 35.40516 12.02984 25.97122 11.91605 9.433945       16.93249 
1 1 1 17 5  14  o 65.82537 6.758158 98.75156       17.95729 75.45885       21.93394 146.1000       31.27228 54.07867 10.28094 75.36168 10.41197 -21.28301      14.63239 
1 1 1 17 5  15  o 25.94800 10.43900 14.66793       16.99479 13.74982       20.91940 16.45000       29.14511 26.50728 11.20435 28.82981 12.69933 -2.322529      16.93548 
1 1 1 17 5  16  o 24.71695 10.28268 11.90899       17.19367 6.908707       21.28052 21.31000       29.17911 24.35804 10.78495 29.58187 12.87601 -5.223825      16.79604 
1 1 1 17 5  17  o 18.16271 8.576979 -9.963309      16.71797 -1.907362      20.80126 -24.66000      28.09579 21.81519 10.05279 20.88578 10.17639 0.9294052      14.30445 
1 1 1 17 5  18  o 35.84641 10.90351 37.25116       17.42765 23.78763       21.94010 60.27000       28.68804 29.03668 11.79621 40.88004 14.11249 -11.84336      18.39328 
1 1 1 17 5  19  o 39.43835 10.57610 44.23135       17.42891 35.55928       21.84764 59.41000       28.90411 33.25185 12.22224 40.00509 14.14096 -6.753242      18.69091 
1 1 1 17 6  -16 o 32.17098 14.22536 38.43000       36.90390 38.43000       36.90390 0.000000       0.000000 32.17098 14.22536 ?        ?        ?              ?        
1 1 1 17 6  -15 f 40.11838 12.86104 52.90128       23.91554 52.90128       23.91554 0.000000       0.000000 40.11838 12.86104 ?        ?        ?              ?        
1 1 1 17 6  -14 o 24.23657 10.90178 6.459559       22.66254 6.459559       22.66254 0.000000       0.000000 24.23657 10.90178 ?        ?        ?              ?        
1 1 1 17 6  -13 o 41.78088 10.86817 48.82476       18.76696 44.87090       22.94276 56.82000       32.62505 37.72779 12.62634 38.88710 14.80242 -1.159306      19.45601 
1 1 1 17 6  -12 o 22.14130 9.863832 2.965431       18.07720 -1.951021      22.23930 12.54000       31.03522 22.56532 10.39702 27.90397 12.63513 -5.338652      16.36290 
1 1 1 17 6  -11 o 29.48121 11.11009 22.93300       18.27026 25.09036       22.51193 18.77000       31.27187 30.45184 12.09352 29.54668 13.07851 0.9051590      17.81293 
1 1 1 17 6  -10 o 69.75774 6.932930 111.6844       19.54130 110.5085       24.17740 113.9000       33.18585 66.99380 9.044360 62.07674 13.44543 4.917057       16.20432 
1 1 1 17 6  -9  o 21.00013 9.510771 -1.618966      17.59411 -3.627384      21.84955 2.085000       29.67215 22.44215 10.32766 26.24397 12.06189 -3.801826      15.87922 
1 1 1 17 6  -8  o 38.09063 10.88834 39.17035       17.83273 43.79942       22.12172 30.58000       30.13540 38.87453 12.35927 33.02908 13.66560 5.845451       18.42553 
1 1 1 17 6  -7  o 20.72678 9.431940 -2.871166      17.55919 -10.70134      21.56340 12.54000       30.25167 20.95337 9.847144 28.65907 12.76425 -7.705698      16.12118 
1 1 1 17 6  -6  o 20.46550 9.330576 -3.409289      17.28646 14.02919       21.30619 -37.00000      29.57066 27.08013 11.36896 20.68455 10.15411 6.395586       15.24333 
1 1 1 17 6  -5  o 42.94699 10.42989 48.13458       18.15643 34.08164       22.45088 74.70000       30.86797 34.63772 12.43913 48.68015 14.44490 -14.04243      19.06272 
1 1 1 17 6  -4  o 43.81276 10.19878 49.51323       17.95293 39.94489       22.15742 67.80000       30.63159 37.27727 12.40692 46.04472 14.53171 -8.767452      19.10765 
1 1 1 17 6  -3  o 56.97350 8.180840 77.00698       18.53843 75.19616       22.82157 80.52000       31.78681 53.75277 10.74451 50.58438 14.56152 3.168388       18.09648 
1 1 1 17 6  -2  o 57.21722 8.307352 77.96791       18.89480 60.95625       23.09547 112.4000       32.85755 46.87252 11.98724 62.70416 13.21461 -15.83164      17.84152 
1 1 1 17 6  -1  o 91.12276 6.628447 187.0150       24.56310 173.1000       33.95010 202.3000       35.58229 82.74252 10.23872 90.18500 9.792521 -7.442474      14.16774 
1 1 1 17 6  0   o 66.29615 7.234650 101.0269       19.32115 106.7672       23.72045 89.71000       33.30581 66.33878 8.961313 53.37963 14.74856 12.95915       17.25761 
1 1 1 17 6  1   o 59.76944 7.847194 83.77966       18.74171 88.66695       23.09752 74.36000       32.06627 59.50474 9.821966 47.97617 14.82726 11.52857       17.78535 
1 1 1 17 6  2   o 24.46308 10.32696 9.179766       17.73398 32.82862       21.86054 -36.34000      30.32884 34.20283 12.27553 21.08488 10.33689 13.11795       16.04805 
1 1 1 17 6  3   o 25.91950 10.55790 13.28857       17.63102 10.69804       21.76732 18.23000       30.06335 26.21745 11.26519 30.02464 13.06919 -3.807190      17.25422 
1 1 1 17 6  4   o 31.99729 11.11939 27.17775       17.82247 13.93136       22.01499 52.37000       30.36009 27.25554 11.50597 40.25121 14.46396 -12.99567      18.48224 
1 1 1 17 6  5   o 23.83912 10.19277 7.460222       17.65830 10.37265       21.97932 2.158000       29.65622 26.16689 11.28246 26.46228 12.12378 -0.2953892     16.56140 
1 1 1 17 6  6   o 80.74619 7.200120 149.5307       23.55652 165.7000       33.59964 133.9000       33.03542 80.59814 10.42483 70.45786 11.87213 10.14029       15.79951 
1 1 1 17 6  7   o 17.88002 8.710388 -26.05216      20.55967 -9.592000      29.20688 -42.22000      28.94638 24.19354 11.39791 19.85229 9.803246 4.341255       15.03383 
1 1 1 17 6  8   o 63.71155 8.926801 98.89381       22.65018 148.0000       32.68615 53.53000       31.41597 75.29723 10.91957 40.10782 14.67034 35.18941       18.28814 
1 1 1 17 6  9   o 32.72594 12.06626 29.85898       21.32093 15.49000       30.29526 43.96000       30.01144 29.14092 12.88704 36.98521 14.16802 -7.844284      19.15225 
1 1 1 17 6  10  o 50.87049 9.229708 64.57376       18.51771 72.16440       23.56522 52.32000       29.94105 51.31598 11.50025 39.61220 14.34667 11.70378       18.38703 
1 1 1 17 6  11  o 44.25922 10.16236 51.58506       18.02773 46.57670       22.66540 60.21000       29.74360 39.32693 12.51105 42.16918 14.37586 -2.842247      19.05759 
1 1 1 17 6  12  o 36.46075 11.18336 37.83311       18.28395 29.12035       22.56009 54.51000       31.21192 31.64829 12.24193 39.07488 14.56339 -7.426588      19.02517 
1 1 1 17 6  13  o 33.66182 12.66346 35.58328       23.71349 35.58328       23.71349 0.000000       0.000000 33.66182 12.66346 ?        ?        ?              ?        
1 1 1 17 6  14  o 36.91876 12.61409 43.92403       22.90247 43.92403       22.90247 0.000000       0.000000 36.91876 12.61409 ?        ?        ?              ?        
1 1 1 17 6  15  f 22.71400 10.03261 6.187508       18.30724 -1.801615      22.75457 20.85000       30.82641 22.30003 10.35912 28.68640 12.82333 -6.386374      16.48481 
1 1 1 17 6  16  o 18.57894 9.083145 -24.50441      22.93427 -24.50441      22.93427 0.000000       0.000000 18.57894 9.083145 ?        ?        ?              ?        
1 1 1 17 7  -12 o 28.01352 13.03789 15.64000       36.31084 15.64000       36.31084 0.000000       0.000000 28.01352 13.03789 ?        ?        ?              ?        
1 1 1 17 7  -11 o 21.21530 10.01069 -7.070119      22.69265 -7.070119      22.69265 0.000000       0.000000 21.21530 10.01069 ?        ?        ?              ?        
1 1 1 17 7  -10 o 26.60987 11.40827 16.30067       22.23073 16.30067       22.23073 0.000000       0.000000 26.60987 11.40827 ?        ?        ?              ?        
1 1 1 17 7  -9  o 27.52173 11.66271 18.69969       22.76169 18.69969       22.76169 0.000000       0.000000 27.52173 11.66271 ?        ?        ?              ?        
1 1 1 17 7  -8  o 22.10193 9.927353 2.803784       18.71712 5.521408       22.98031 -2.552000      32.26062 24.18122 10.91832 25.09073 11.86837 -0.9095097     16.12662 
1 1 1 17 7  -7  o 21.14124 9.623998 -0.5968930     18.30221 4.082269       22.79390 -9.088000      30.70555 23.91258 10.82801 23.87097 11.37377 0.4161072E-01  15.70377 
1 1 1 17 7  -6  o 27.46905 10.95482 18.74137       18.54776 16.61051       23.19527 22.52000       30.88793 27.41607 11.70098 29.87848 13.12041 -2.462410      17.58005 
1 1 1 17 7  -5  o 32.98304 11.37458 31.19144       18.63475 25.80408       23.16118 41.08000       31.37901 30.41920 12.20429 34.78507 14.11617 -4.365873      18.66041 
1 1 1 17 7  -4  o 40.72495 11.07599 46.32605       18.95444 60.78632       23.84747 21.52000       31.23439 45.13261 12.48373 29.93235 13.16722 15.20025       18.14440 
1 1 1 17 7  -3  o 48.97150 9.839663 62.09489       19.04552 57.60972       23.64526 70.38000       32.13685 43.86479 12.53758 44.71689 14.94325 -0.8521042     19.50620 
1 1 1 17 7  -2  o 33.01134 12.25002 31.88350       22.03792 15.75000       30.41736 49.71000       31.97350 28.71105 12.79254 37.71559 14.57789 -9.004541      19.39495 
1 1 1 17 7  -1  f 34.41125 11.52991 33.82450       19.13057 40.18867       23.88282 22.43000       31.95671 36.12029 12.84566 30.41780 13.35172 5.702494       18.52780 
1 1 1 17 7  0   o 25.62257 10.64307 13.12197       18.37971 3.772051       22.73965 30.74000       31.21466 24.20992 10.90242 32.40881 13.69205 -8.198887      17.50243 
1 1 1 17 7  1   f 40.20930 11.01661 44.75246       18.67169 43.93216       23.09614 46.30000       31.72286 37.94622 12.66790 36.75042 14.43005 1.195808       19.20161 
1 1 1 17 7  2   o 68.41159 8.511812 113.9607       23.32961 83.87000       32.63729 145.4000       33.36069 49.79407 14.87215 72.84609 11.57063 -23.05202      18.84305 
1 1 1 17 7  3   o 24.95968 10.48496 11.61685       18.13844 13.48104       22.81833 8.417000       29.89531 26.67993 11.49966 27.03171 12.30335 -0.3517742     16.84087 
1 1 1 17 7  4   o 42.92691 10.60129 49.99350       18.52237 22.80415       23.20265 97.76000       30.75388 29.52423 12.07927 56.53662 13.47597 -27.01240      18.09725 
1 1 1 17 7  5   o 27.95142 10.97738 19.82924       18.36162 15.02447       23.36987 27.58000       29.68193 27.07114 11.65275 31.14695 13.26302 -4.075809      17.65487 
1 1 1 17 7  6   o 20.87721 9.528770 -1.612032      18.09251 -4.466727      23.07665 2.942000       29.14680 22.29306 10.38167 25.56152 11.82196 -3.268456      15.73333 
1 1 1 17 7  7   o 19.02439 8.957136 -9.188437      17.98774 2.594675       22.61517 -29.48000      29.67752 23.51508 10.70206 20.92650 10.25220 2.588585       14.82032 
1 1 1 17 7  8   o 48.70233 9.910703 62.91235       19.09104 65.19079       23.69824 58.70000       32.22255 46.47814 12.27283 39.24915 14.76244 7.228992       19.19771 
1 1 1 17 7  9   o 15.65268 7.723446 -28.33323      17.84638 -14.24609      22.57621 -51.80000      29.13844 20.07480 9.615970 18.39088 9.202955 1.683920       13.31019 
1 1 1 17 7  10  o 27.06221 10.90752 18.96904       18.59198 10.37718       23.29357 34.05000       30.86079 25.20643 11.21511 31.79673 13.53123 -6.590302      17.57478 
1 1 1 17 7  11  o 22.16011 9.887786 4.497550       18.23963 -17.29672      23.33960 38.69000       29.23394 19.78907 9.554723 33.03832 13.54256 -13.24925      16.57388 
1 1 1 17 7  12  o 22.68956 11.02848 -17.74000      32.45374 -17.74000      32.45374 0.000000       0.000000 22.68956 11.02848 ?        ?        ?              ?        
1 1 1 17 8  -4  o 23.08632 11.33112 -24.28000      36.77124 -24.28000      36.77124 0.000000       0.000000 23.08632 11.33112 ?        ?        ?              ?        
1 1 1 17 8  -3  o 36.95938 13.05215 46.94263       24.61984 46.94263       24.61984 0.000000       0.000000 36.95938 13.05215 ?        ?        ?              ?        
1 1 1 17 8  -2  o 19.32452 9.413459 -22.29598      24.00143 -22.29598      24.00143 0.000000       0.000000 19.32452 9.413459 ?        ?        ?              ?        
1 1 1 17 8  -1  o 27.19839 11.13451 19.45802       19.73016 17.82726       24.81612 22.26000       32.52909 27.22105 11.86105 28.93031 13.03290 -1.709259      17.62218 
1 1 1 17 8  0   o 33.08801 11.83202 34.25686       20.28955 44.07976       26.21064 19.57000       32.04956 35.36003 13.31112 28.36687 12.84281 6.993168       18.49659 
1 1 1 17 8  1   o 19.28956 9.134437 -9.526850      19.21032 -14.41678      24.17558 -1.150000      31.64215 20.52398 9.862430 24.73915 11.71747 -4.215172      15.31556 
1 1 1 17 8  2   o 31.26464 11.51213 29.70446       19.39676 51.79951       24.36303 -8.547000      32.05589 39.15793 13.00912 23.77643 11.40738 15.38150       17.30218 
1 1 1 17 8  3   o 24.88525 11.21165 8.995972       24.07917 8.995972       24.07917 0.000000       0.000000 24.88525 11.21165 ?        ?        ?              ?        
1 1 1 17 8  4   o 26.33530 12.48084 4.640000       36.00120 4.640000       36.00120 0.000000       0.000000 26.33530 12.48084 ?        ?        ?              ?        
1 1 1 18 0  -26 o 23.13530 14.82759 19.96000       31.72796 19.96000       31.72796 19.96000       31.72796 23.13530 14.82759 23.13530 14.82759 0.000000       0.000000 
1 1 1 18 0  -25 o 23.46277 14.91453 20.57000       31.31228 20.57000       31.31228 20.57000       31.31228 23.46277 14.91453 23.46277 14.91453 0.000000       0.000000 
1 1 1 18 0  -24 o 16.96045 11.82979 -14.30000      29.81326 -14.30000      29.81326 -14.30000      29.81326 16.96045 11.82979 16.96045 11.82979 0.000000       0.000000 
1 1 1 18 0  -23 o 19.83227 13.20880 3.256000       28.97083 3.256000       28.97083 3.256000       28.97083 19.83227 13.20880 19.83227 13.20880 0.000000       0.000000 
1 1 1 18 0  -22 o 35.56517 17.45806 50.76000       30.21813 50.76000       30.21813 50.76000       30.21813 35.56517 17.45806 35.56517 17.45806 0.000000       0.000000 
1 1 1 18 0  -21 o 35.76537 17.24434 50.02000       29.29742 50.02000       29.29742 50.02000       29.29742 35.76537 17.24434 35.76537 17.24434 0.000000       0.000000 
1 1 1 18 0  -20 o 20.82956 13.56295 7.682000       27.98054 7.682000       27.98054 7.682000       27.98054 20.82956 13.56295 20.82956 13.56295 0.000000       0.000000 
1 1 1 18 0  -19 o 25.77234 15.36192 24.99000       28.53060 24.99000       28.53060 24.99000       28.53060 25.77234 15.36192 25.77234 15.36192 0.000000       0.000000 
1 1 1 18 0  -18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 0  -17 o 17.58858 12.06017 -10.15000      27.85425 -10.15000      27.85425 -10.15000      27.85425 17.58858 12.06017 17.58858 12.06017 0.000000       0.000000 
1 1 1 18 0  -16 f 14.55286 10.41532 -36.51000      28.63162 -36.51000      28.63162 -36.51000      28.63162 14.55286 10.41532 14.55286 10.41532 0.000000       0.000000 
1 1 1 18 0  -15 o 54.57913 15.68105 83.30000       30.38185 83.30000       30.38185 83.30000       30.38185 54.57913 15.68105 54.57913 15.68105 0.000000       0.000000 
1 1 1 18 0  -14 o 31.72849 17.01528 37.68000       30.36083 37.68000       30.36083 37.68000       30.36083 31.72849 17.01528 31.72849 17.01528 0.000000       0.000000 
1 1 1 18 0  -13 o 16.65486 11.63415 -21.88000      29.13945 -21.88000      29.13945 -21.88000      29.13945 16.65486 11.63415 16.65486 11.63415 0.000000       0.000000 
1 1 1 18 0  -12 f 67.48957 13.05836 111.3000       32.19889 111.3000       32.19889 111.3000       32.19889 67.48957 13.05836 67.48957 13.05836 0.000000       0.000000 
1 1 1 18 0  -11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 0  -10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 0  -9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 0  -8  o 20.16889 13.56649 -7.054000      31.93921 -7.054000      31.93921 -7.054000      31.93921 20.16889 13.56649 20.16889 13.56649 0.000000       0.000000 
1 1 1 18 0  -7  o 107.4163 9.150364 251.2000       39.54876 251.2000       39.54876 251.2000       39.54876 107.4163 9.150364 107.4163 9.150364 0.000000       0.000000 
1 1 1 18 0  -6  o 104.8269 9.130165 239.1000       38.47698 239.1000       38.47698 239.1000       38.47698 104.8269 9.130165 104.8269 9.130165 0.000000       0.000000 
1 1 1 18 0  -5  o 52.11391 17.67867 78.66000       33.78037 78.66000       33.78037 78.66000       33.78037 52.11391 17.67867 52.11391 17.67867 0.000000       0.000000 
1 1 1 18 0  -4  o 27.26356 16.46346 21.02000       33.61878 21.02000       33.61878 21.02000       33.61878 27.26356 16.46346 27.26356 16.46346 0.000000       0.000000 
1 1 1 18 0  -3  o 22.90835 14.90668 3.291000       33.72088 3.291000       33.72088 3.291000       33.72088 22.90835 14.90668 22.90835 14.90668 0.000000       0.000000 
1 1 1 18 0  -2  o 22.08209 14.47801 0.6542000      32.69165 0.6542000      32.69165 0.6542000      32.69165 22.08209 14.47801 22.08209 14.47801 0.000000       0.000000 
1 1 1 18 0  -1  o 89.84869 10.80349 180.4000       38.22526 180.4000       38.22526 180.4000       38.22526 89.84869 10.80349 89.84869 10.80349 0.000000       0.000000 
1 1 1 18 0  0   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 0  1   o 57.39190 17.48186 90.88000       35.86822 90.88000       35.86822 90.88000       35.86822 57.39190 17.48186 57.39190 17.48186 0.000000       0.000000 
1 1 1 18 0  2   o 26.89318 16.31418 19.67000       33.32838 19.67000       33.32838 19.67000       33.32838 26.89318 16.31418 26.89318 16.31418 0.000000       0.000000 
1 1 1 18 0  3   o 96.37270 9.377687 202.9000       36.14719 202.9000       36.14719 202.9000       36.14719 96.37270 9.377687 96.37270 9.377687 0.000000       0.000000 
1 1 1 18 0  4   o 45.08088 18.09914 63.80000       32.47456 63.80000       32.47456 63.80000       32.47456 45.08088 18.09914 45.08088 18.09914 0.000000       0.000000 
1 1 1 18 0  5   o 28.89004 16.62210 27.19000       31.47829 27.19000       31.47829 27.19000       31.47829 28.89004 16.62210 28.89004 16.62210 0.000000       0.000000 
1 1 1 18 0  6   o 21.68064 14.11504 2.636000       30.28905 2.636000       30.28905 2.636000       30.28905 21.68064 14.11504 21.68064 14.11504 0.000000       0.000000 
1 1 1 18 0  7   o 39.06913 17.65839 51.12000       30.37775 51.12000       30.37775 51.12000       30.37775 39.06913 17.65839 39.06913 17.65839 0.000000       0.000000 
1 1 1 18 0  8   o 42.13364 17.40777 56.86000       29.79890 56.86000       29.79890 56.86000       29.79890 42.13364 17.40777 42.13364 17.40777 0.000000       0.000000 
1 1 1 18 0  9   o 17.53080 12.02035 -13.67000      27.66804 -13.67000      27.66804 -13.67000      27.66804 17.53080 12.02035 17.53080 12.02035 0.000000       0.000000 
1 1 1 18 0  10  o 75.21221 10.52783 129.2000       30.60316 129.2000       30.60316 129.2000       30.60316 75.21221 10.52783 75.21221 10.52783 0.000000       0.000000 
1 1 1 18 0  11  o 65.38148 12.07755 102.4000       29.08599 102.4000       29.08599 102.4000       29.08599 65.38148 12.07755 65.38148 12.07755 0.000000       0.000000 
1 1 1 18 0  12  f 85.20310 9.287785 161.7000       31.42688 161.7000       31.42688 161.7000       31.42688 85.20310 9.287785 85.20310 9.287785 0.000000       0.000000 
1 1 1 18 0  13  o 45.91751 16.32088 63.47000       27.94555 63.47000       27.94555 63.47000       27.94555 45.91751 16.32088 45.91751 16.32088 0.000000       0.000000 
1 1 1 18 0  14  o 18.33847 12.28911 -4.016000      25.76112 -4.016000      25.76112 -4.016000      25.76112 18.33847 12.28911 18.33847 12.28911 0.000000       0.000000 
1 1 1 18 0  15  o 11.18685 8.209781 -61.90000      24.94967 -61.90000      24.94967 -61.90000      24.94967 11.18685 8.209781 11.18685 8.209781 0.000000       0.000000 
1 1 1 18 0  16  f 34.73455 16.56010 43.99000       26.93208 43.99000       26.93208 43.99000       26.93208 34.73455 16.56010 34.73455 16.56010 0.000000       0.000000 
1 1 1 18 0  17  o 27.89378 15.49289 29.53000       26.09986 29.53000       26.09986 29.53000       26.09986 27.89378 15.49289 27.89378 15.49289 0.000000       0.000000 
1 1 1 18 0  18  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 0  19  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 0  20  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 0  21  o 19.66082 12.92395 4.378000       26.30589 4.378000       26.30589 4.378000       26.30589 19.66082 12.92395 19.66082 12.92395 0.000000       0.000000 
1 1 1 18 0  22  o 27.37444 13.90337 27.75666       19.48149 27.75666       19.48149 27.75666       19.48149 27.37444 13.90337 27.37444 13.90337 0.000000       0.000000 
1 1 1 18 0  23  o 74.56287 7.370501 124.3292       21.96207 124.3292       21.96207 124.3292       21.96207 74.56287 7.370501 74.56287 7.370501 0.000000       0.000000 
1 1 1 18 0  24  o 14.31066 9.887526 -9.443342      19.58182 -9.443342      19.58182 -9.443342      19.58182 14.31066 9.887526 14.31066 9.887526 0.000000       0.000000 
1 1 1 18 0  25  o 45.74403 12.76387 59.34141       20.68472 59.34141       20.68472 59.34141       20.68472 45.74403 12.76387 45.74403 12.76387 0.000000       0.000000 
1 1 1 18 0  26  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 1  -24 o 27.64230 11.55031 20.09094       21.83408 43.91000       30.73650 -4.172000      31.02157 34.35116 13.95955 24.21067 11.50620 10.14049       18.09037 
1 1 1 18 1  -23 o 25.06618 10.99777 10.54753       21.66010 -2.983000      30.94752 23.54000       30.32595 24.66237 11.65333 29.57271 12.99285 -4.910341      17.45320 
1 1 1 18 1  -22 o 31.00583 12.00114 27.39262       21.69173 21.62000       30.36317 33.41000       31.00021 29.73338 13.03401 32.68850 13.71789 -2.955120      18.92263 
1 1 1 18 1  -21 o 44.57878 11.97095 56.57630       22.31070 50.56000       31.08299 62.97000       32.04309 38.66306 14.50815 42.71037 14.90536 -4.047314      20.80039 
1 1 1 18 1  -20 o 24.73214 10.83355 6.790597       20.94158 2.806000       29.13426 11.05000       30.12217 26.32720 12.04487 28.24970 12.64856 -1.922501      17.46611 
1 1 1 18 1  -19 o 32.07582 11.93019 27.67519       20.92468 16.76000       29.73000 38.39000       29.45584 29.60450 12.93938 35.60362 13.92704 -5.999123      19.01026 
1 1 1 18 1  -18 o 34.71989 12.14787 33.85836       21.29189 42.91000       30.35350 25.09000       29.87476 37.00966 14.23039 31.73315 13.40019 5.276505       19.54659 
1 1 1 18 1  -17 f 22.90900 10.33259 -0.5108292E-03 20.51569 -9.675000      29.03837 9.641000       28.98883 24.24365 11.40397 27.91263 12.45924 -3.668980      16.89033 
1 1 1 18 1  -16 o 59.51597 9.054461 85.78352       21.37116 82.50000       30.72768 88.86000       29.74312 52.55252 14.02053 55.82333 13.21777 -3.270802      19.26875 
1 1 1 18 1  -15 o 22.25580 10.11701 -3.021345      20.13587 19.08000       28.98020 -23.65000      27.99803 30.69418 13.08888 22.03230 10.59400 8.661873       16.83899 
1 1 1 18 1  -14 o 26.05869 11.14714 8.772596       21.13827 2.905000       29.78115 14.73000       30.00819 27.45056 12.40862 30.14416 13.08982 -2.693600      18.03656 
1 1 1 18 1  -13 o 49.21569 11.16886 61.62601       21.99045 88.78000       31.13309 34.59000       31.06539 56.76708 13.57693 36.12196 14.25024 20.64512       19.68254 
1 1 1 18 1  -12 o 43.44286 11.72222 48.67469       21.33080 47.94000       29.95970 49.43000       30.37724 41.22038 14.41080 41.72195 14.51575 -0.5015755     20.45429 
1 1 1 18 1  -11 o 27.98556 11.40395 13.45821       20.57965 37.44000       30.14426 -7.477000      28.16453 37.80107 14.26521 25.49433 11.72980 12.30674       18.46847 
1 1 1 18 1  -10 o 37.32288 12.06767 35.21613       21.02564 7.534000       30.54633 60.14000       28.98458 29.67098 13.03787 46.96857 14.01212 -17.29759      19.13963 
1 1 1 18 1  -9  o 24.04564 10.65767 -0.4122683     20.83414 -0.9830000     30.26186 0.1020000      28.72596 27.89540 12.56826 27.55583 12.34386 0.3395691      17.61624 
1 1 1 18 1  -8  o 25.91885 11.07349 5.885247       20.81286 22.21000       30.97095 -7.558000      28.10498 33.87622 13.91838 25.82204 11.81994 8.054182       18.26013 
1 1 1 18 1  -7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 1  -6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 1  -5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 1  -4  o 26.59715 11.34693 5.984730       21.79727 -1.758000      31.97066 12.71000       29.79609 28.80395 12.95300 31.39432 13.32541 -2.590376      18.58351 
1 1 1 18 1  -3  o 35.84962 12.37417 30.48889       22.05566 38.81000       33.49648 24.12000       29.30490 39.81060 15.03440 34.58306 13.77715 5.227539       20.39223 
1 1 1 18 1  -2  f 33.31105 12.39989 24.19618       22.61372 37.31000       33.99733 13.79000       30.28489 39.44011 15.08675 31.91791 13.48572 7.522207       20.23548 
1 1 1 18 1  -1  o 87.10046 7.243883 165.3749       25.60184 150.5000       37.94924 177.8000       34.68366 79.01023 12.11584 88.22839 9.763650 -9.218155      15.56028 
1 1 1 18 1  0   o 82.59467 7.725428 149.9902       25.82441 117.6000       38.18198 177.3000       35.05990 67.81490 14.20590 87.99246 9.902335 -20.17756      17.31658 
1 1 1 18 1  1   o 35.77156 12.67829 29.93936       23.24685 21.71000       34.84510 36.54000       31.20696 35.18367 14.63780 38.97826 14.55532 -3.794586      20.64274 
1 1 1 18 1  2   f 38.37934 12.69263 36.02326       23.19917 23.91000       34.69388 45.82000       31.20062 35.69207 14.70478 42.22204 14.70984 -6.529968      20.79928 
1 1 1 18 1  3   o 37.06767 12.58709 33.16783       22.79922 25.02000       34.25167 39.65000       30.55070 35.84423 14.67187 39.92409 14.48742 -4.079865      20.61914 
1 1 1 18 1  4   o 46.65336 11.84806 53.58103       22.67253 50.04000       33.60362 56.54000       30.71795 43.51142 15.25836 46.24456 14.54648 -2.733143      21.08122 
1 1 1 18 1  5   f 21.40674 9.931558 -12.23768      20.81371 0.1577000      30.72493 -22.75000      28.29505 28.67604 12.81160 23.39812 11.08174 5.277925       16.93937 
1 1 1 18 1  6   o 42.17726 11.57275 43.88080       20.58715 19.79000       29.89161 65.62000       28.39524 33.17442 13.65647 50.30733 13.50314 -17.13291      19.20505 
1 1 1 18 1  7   o 40.08929 11.59539 39.77340       20.11129 16.22000       29.11050 61.28000       27.81690 31.87070 13.32838 48.44258 13.51427 -16.57188      18.98107 
1 1 1 18 1  8   o 41.85110 11.44412 43.41609       20.17155 59.89000       29.45690 28.87000       27.67973 47.27256 14.13131 35.37445 13.59239 11.89811       19.60732 
1 1 1 18 1  9   o 22.31991 10.03728 -3.719399      19.19805 0.7894000      28.29649 -7.565000      26.13270 27.54509 12.30139 24.86895 11.38892 2.676142       16.76400 
1 1 1 18 1  10  o 25.82998 10.77238 8.642298       18.93829 15.07000       27.25321 2.640000       26.33592 30.62043 12.85686 27.07962 11.99349 3.540806       17.58245 
1 1 1 18 1  11  o 31.00004 11.38170 22.04684       18.93738 0.6369000      26.66957 43.82000       26.89485 26.59326 11.90465 40.30526 13.67117 -13.71200      18.12792 
1 1 1 18 1  12  o 38.61147 11.41877 38.10106       19.31561 48.95000       26.97791 26.69000       27.66797 42.09805 13.67410 33.77468 13.40906 8.323364       19.15160 
1 1 1 18 1  13  o 56.62566 9.141974 76.03256       20.47536 103.8000       28.94218 48.21000       28.97090 63.99207 11.46655 40.95294 14.17977 23.03913       18.23589 
1 1 1 18 1  14  o 32.54681 11.46421 26.90150       18.98433 46.95000       26.52188 5.836000       27.18625 40.45514 13.57602 27.28595 12.12964 13.16918       18.20539 
1 1 1 18 1  15  o 56.73753 8.565356 76.23894       19.28021 62.35000       26.73057 91.30000       27.83565 46.54302 13.33925 58.58589 12.00715 -12.04287      17.94734 
1 1 1 18 1  16  o 60.19471 8.083055 85.10059       19.42008 110.1000       27.43100 59.98000       27.49741 65.84162 10.52917 44.66368 13.71742 21.17794       17.29251 
1 1 1 18 1  17  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 1  18  o 26.82603 10.21679 16.56289       15.54746 20.73338       19.30014 8.854000       26.23994 29.16555 11.31164 26.97266 11.95755 2.192883       16.46014 
1 1 1 18 1  19  o 44.34930 9.173134 48.72243       16.10816 46.06648       20.02628 53.59000       27.11107 40.97507 11.47972 41.68328 13.71827 -0.7082176     17.88784 
1 1 1 18 1  20  o 33.35544 10.42266 29.40837       15.79645 37.05214       19.65127 15.45000       26.55546 36.39648 11.65721 28.54480 12.35483 7.851683       16.98624 
1 1 1 18 1  21  o 23.21207 9.744467 8.446978       15.65096 4.326485       19.64333 15.61000       25.89934 23.39991 10.36120 28.17372 12.19772 -4.773806      16.00434 
1 1 1 18 1  22  o 22.50769 9.695030 6.607009       16.19820 16.17607       20.26381 -10.33000      26.95907 26.85987 11.16768 22.70395 10.77168 4.155916       15.51600 
1 1 1 18 1  23  o 32.28867 13.69685 34.69000       31.44853 34.69000       31.44853 0.000000       0.000000 32.28867 13.69685 ?        ?        ?              ?        
1 1 1 18 1  24  o 36.07384 14.38163 50.69000       31.95607 50.69000       31.95607 0.000000       0.000000 36.07384 14.38163 ?        ?        ?              ?        
1 1 1 18 2  -22 o 22.41138 10.38978 -1.078191      22.71336 -5.631000      32.22612 3.416000       32.01798 24.31843 11.60503 25.62132 12.02768 -1.302891      16.71352 
1 1 1 18 2  -21 o 21.50711 10.06643 -5.571419      22.14703 20.23000       31.65851 -30.30000      30.99333 28.98868 12.97418 21.16757 10.39210 7.821108       16.62302 
1 1 1 18 2  -20 o 24.23307 10.82572 5.761239       21.93326 -16.14000      31.13762 27.33000       30.90037 23.21610 11.16553 31.12616 13.39878 -7.910057      17.44123 
1 1 1 18 2  -19 o 22.89002 10.45012 -0.8394690     21.77835 10.64000       31.19817 -11.75000      30.41523 28.01575 12.67872 23.94727 11.38450 4.068481       17.03986 
1 1 1 18 2  -18 o 21.02082 9.834785 -9.013454      21.10340 9.892000       30.38571 -26.63000      29.33163 28.02042 12.61193 21.73480 10.54589 6.285614       16.44009 
1 1 1 18 2  -17 o 41.13691 12.02252 47.73724       21.51967 30.93000       30.54087 64.31000       30.32708 33.29989 13.76551 44.70777 14.49625 -11.40788      19.99076 
1 1 1 18 2  -16 o 21.24224 9.858799 -7.113421      20.53812 -26.86000      29.24609 12.10000       28.84857 21.78764 10.56187 28.36423 12.55801 -6.576593      16.40905 
1 1 1 18 2  -15 o 43.39454 11.75047 52.02932       21.38858 39.70000       30.20447 64.43000       30.29175 36.00283 14.09712 44.88242 14.48243 -8.879585      20.21062 
1 1 1 18 2  -14 o 31.86250 11.86443 26.86256       20.70600 45.92000       29.75892 8.978000       28.82863 38.29410 14.23041 27.77081 12.40837 10.52329       18.88047 
1 1 1 18 2  -13 o 25.69720 10.97695 9.669878       20.44539 -19.48000      28.92402 38.78000       28.90429 22.82486 10.92008 36.18808 13.89370 -13.36322      17.67153 
1 1 1 18 2  -12 o 26.92641 11.15964 13.21167       20.14376 12.05000       28.76225 14.33000       28.22062 28.84671 12.66431 29.27592 12.70351 -0.4292088     17.93778 
1 1 1 18 2  -11 o 31.55409 11.82940 24.68412       20.65418 47.45000       29.72212 3.424000       28.72238 39.90941 14.31484 27.14525 12.23608 12.76416       18.83179 
1 1 1 18 2  -10 o 24.25896 10.68526 2.957643       20.63071 15.78000       29.44197 -9.412000      28.91755 30.41523 13.08559 24.91884 11.61017 5.496389       17.49368 
1 1 1 18 2  -9  o 40.12919 11.91098 42.41957       20.98572 23.39000       29.73684 61.30000       29.62008 32.74949 13.56473 46.09074 14.25151 -13.34125      19.67505 
1 1 1 18 2  -8  o 36.20109 11.93250 33.75203       20.50926 42.68000       28.98498 24.80000       29.02402 39.25420 14.12922 33.29405 13.55203 5.960148       19.57786 
1 1 1 18 2  -7  o 50.94064 10.44373 63.35364       21.05222 44.74000       29.67637 82.21000       29.86923 40.24688 14.31859 55.48172 13.31715 -15.23484      19.55424 
1 1 1 18 2  -6  o 27.22680 11.21793 11.63813       20.19296 -12.39000      29.23506 33.56000       27.92434 25.03839 11.66850 36.39417 13.73087 -11.35579      18.01917 
1 1 1 18 2  -5  o 50.37538 10.59367 61.79108       21.15774 29.36000       30.07229 93.58000       29.77307 35.34985 13.99707 60.61808 12.41301 -25.26823      18.70831 
1 1 1 18 2  -4  o 27.17413 11.26623 10.77262       20.54033 9.898000       30.25961 11.52000       27.97192 30.13015 13.11349 29.85465 12.79808 0.2754955      18.32360 
1 1 1 18 2  -3  o 21.68679 10.04070 -10.63732      21.10879 5.876000       31.37084 -24.30000      28.53493 29.63074 13.10825 22.97059 10.95025 6.660149       17.08023 
1 1 1 18 2  -2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 2  -1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 2  0   o 53.44148 11.19370 69.99465       23.70897 43.30000       33.72478 96.08000       33.33768 40.31816 15.11569 60.38715 13.78658 -20.06899      20.45858 
1 1 1 18 2  1   o 84.39915 7.027946 156.4720       24.06774 140.2000       35.37197 170.5000       32.84247 75.46422 11.83602 85.80338 9.507081 -10.33916      15.18143 
1 1 1 18 2  2   o 45.43279 11.74037 51.94492       21.99714 10.11000       32.31213 88.08000       30.03036 30.90376 13.49880 58.56869 12.87363 -27.66492      18.65336 
1 1 1 18 2  3   o 58.29092 9.774419 80.03445       22.50498 91.40000       33.22575 70.40000       30.59095 58.43003 14.05867 50.89896 14.16196 7.531078       19.95513 
1 1 1 18 2  4   o 60.56342 9.358658 85.59096       22.46119 65.11000       32.78856 103.7000       30.83152 47.95331 15.02096 64.22405 12.16925 -16.27074      19.33183 
1 1 1 18 2  5   o 26.08887 11.09128 7.359252       20.69922 21.12000       29.94141 -5.238000      28.64766 32.89257 13.61649 26.21839 11.97565 6.674179       18.13353 
1 1 1 18 2  6   o 56.49107 9.459558 75.19732       21.10845 68.05000       29.55420 82.64000       30.15867 49.81324 13.94206 55.72399 13.38549 -5.910755      19.32751 
1 1 1 18 2  7   o 25.69722 10.92703 7.337541       20.09789 -6.004000      27.62052 22.35000       29.29913 25.48904 11.68623 32.84866 13.52121 -7.359619      17.87152 
1 1 1 18 2  8   o 29.71318 11.48158 19.14288       19.82967 32.40000       27.22816 4.170000       28.93652 35.57222 13.52702 27.94785 12.46327 7.624371       18.39329 
1 1 1 18 2  9   o 39.62534 11.71089 41.07048       20.32202 49.81000       27.93094 31.24000       29.62300 41.84756 13.92992 35.06694 13.88987 6.780628       19.67158 
1 1 1 18 2  10  o 33.17332 11.73155 28.02606       19.89543 6.093000       27.20068 53.26000       29.17580 27.45899 12.17375 42.59909 14.23824 -15.14010      18.73307 
1 1 1 18 2  11  o 55.73473 9.285503 74.82527       20.44602 70.92000       28.11349 79.21000       29.78930 50.00874 13.44169 52.71660 13.68268 -2.707859      19.18058 
1 1 1 18 2  12  o 26.03102 9.879656 14.73359       14.50720 11.32033       17.35513 22.65000       26.43067 25.40308 10.42606 31.23996 12.84890 -5.836876      16.54681 
1 1 1 18 2  13  o 49.43017 7.858378 57.24703       15.37376 46.13703       18.78392 79.79000       26.75683 41.85627 10.86573 53.80899 12.39874 -11.95272      16.48615 
1 1 1 18 2  14  o 35.20601 10.06509 32.02473       15.23708 37.25163       18.76868 21.92000       26.09599 37.01598 11.32629 30.54564 12.68443 6.470343       17.00528 
1 1 1 18 2  15  o 43.34549 9.108509 46.45843       15.65195 38.53988       19.29624 61.69000       26.76223 37.41342 11.49122 45.32855 13.44988 -7.915131      17.69032 
1 1 1 18 2  16  o 70.70139 5.902709 110.7134       16.93270 115.7546       21.02169 101.4000       28.57292 70.87487 7.350126 61.31565 11.80880 9.559223       13.90943 
1 1 1 18 2  17  o 38.58982 10.19423 38.79099       16.34620 38.26077       20.18929 39.80000       27.85096 36.95095 11.81373 36.17167 13.69801 0.7792740      18.08867 
1 1 1 18 2  18  o 55.49718 7.663146 72.23306       16.94989 78.43741       21.02672 60.72000       28.64302 56.07288 9.496463 43.70995 14.08089 12.36293       16.98394 
1 1 1 18 2  19  o 26.77111 10.32564 16.95835       16.01636 10.41602       19.90586 28.97000       26.97220 25.23931 10.80744 32.03403 13.05484 -6.794722      16.94785 
1 1 1 18 2  20  o 39.17327 10.24791 41.41960       16.62349 48.38856       20.68487 28.71000       27.93411 40.73981 11.75235 31.40161 13.08852 9.338200       17.59054 
1 1 1 18 2  21  o 26.16103 10.29828 16.86162       16.19296 8.747284       20.14678 31.67000       27.21653 24.19061 10.61032 31.68977 13.03670 -7.499161      16.80876 
1 1 1 18 2  22  o 40.74816 10.34818 46.26576       17.29575 62.47011       21.85664 19.12000       28.28908 45.98126 11.60869 28.02954 12.42142 17.95172       17.00157 
1 1 1 18 3  -20 o 35.48449 12.69554 41.86399       23.36232 56.50000       33.64088 28.23000       32.46889 37.30608 14.79388 30.25829 13.36307 7.047791       19.93566 
1 1 1 18 3  -19 o 32.78666 12.48996 34.13549       23.23911 0.2704000      33.23333 66.54000       32.50877 25.60163 12.09077 41.50327 14.96028 -15.90164      19.23530 
1 1 1 18 3  -18 o 26.19123 11.40115 12.68584       22.88149 4.508000       32.65926 20.57000       32.06748 26.56371 12.36374 29.48221 13.13562 -2.918503      18.03903 
1 1 1 18 3  -17 f 34.93395 12.57903 37.00805       22.97631 49.20000       33.61701 26.32000       31.47542 37.19431 14.77604 31.20943 13.47932 5.984880       20.00058 
1 1 1 18 3  -16 o 20.41199 9.704165 -14.35595      22.10309 -24.13000      31.80501 -5.226000      30.73921 22.83483 11.05635 25.17761 11.80846 -2.342775      16.17661 
1 1 1 18 3  -15 o 25.04013 11.01003 6.884552       21.81510 29.31000       31.26944 -14.38000      30.44932 32.73102 13.75911 23.82429 11.34441 8.906727       17.83280 
1 1 1 18 3  -14 o 36.77396 12.40344 38.92933       22.13699 20.00000       31.47866 57.45000       31.13701 30.60198 13.34607 41.80093 14.68542 -11.19894      19.84387 
1 1 1 18 3  -13 o 47.98934 11.33843 61.90589       21.92410 75.87000       30.89475 47.74000       31.11715 49.19351 14.41304 38.49310 14.50076 10.70042       20.44524 
1 1 1 18 3  -12 o 18.00276 8.745813 -24.61020      20.33772 -20.62000      28.98475 -28.48000      28.54407 22.51716 10.81469 21.30250 10.35167 1.214663       14.97046 
1 1 1 18 3  -11 o 35.73225 12.09282 35.92535       21.04251 51.13000       29.81242 20.83000       29.70508 40.00908 14.33824 30.65209 13.16510 9.356993       19.46548 
1 1 1 18 3  -10 o 30.44354 11.63944 23.40848       20.22895 1.679000       28.66705 44.96000       28.54942 26.22191 11.97819 38.18762 13.98231 -11.96571      18.41146 
1 1 1 18 3  -9  o 41.40792 11.66442 46.85003       20.61686 56.54000       29.68458 37.82000       28.65591 42.44208 14.36298 35.84122 13.81483 6.600861       19.92849 
1 1 1 18 3  -8  o 23.31928 10.33662 2.387780       19.60197 -6.536000      27.88107 11.11000       27.56440 24.60603 11.44275 28.20443 12.38957 -3.598400      16.86529 
1 1 1 18 3  -7  o 53.05470 10.03650 70.08607       21.00529 67.82000       29.84633 72.31000       29.56755 47.47111 14.23231 49.48039 13.97939 -2.009281      19.94949 
1 1 1 18 3  -6  f 45.61288 11.28884 54.43986       20.96941 46.21000       29.09153 63.34000       30.25302 39.44865 14.16064 45.77965 14.44079 -6.330997      20.22524 
1 1 1 18 3  -5  o 27.68316 11.28146 14.80241       20.14151 -4.783000      27.78863 36.48000       29.23520 25.20053 11.61510 36.16749 13.95028 -10.96696      18.15271 
1 1 1 18 3  -4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 3  -3  o 71.38506 7.906826 116.8281       22.72476 72.25000       30.58087 171.8000       33.95932 49.80596 14.26549 84.06179 10.06577 -34.25583      17.45921 
1 1 1 18 3  -2  o 45.00911 11.79944 53.36848       22.00775 26.01000       29.77368 86.32000       32.67565 33.27840 13.65688 54.68668 14.39735 -21.40828      19.84425 
1 1 1 18 3  -1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 3  0   o 29.86096 11.84462 19.30552       21.57018 4.617000       29.38024 36.48000       31.76933 27.88353 12.48767 36.59738 14.41911 -8.713846      19.07493 
1 1 1 18 3  1   o 20.69048 9.699527 -12.50107      20.69948 -3.504000      28.30136 -22.85000      30.35319 25.84039 11.84063 23.41376 11.19771 2.426638       16.29691 
1 1 1 18 3  2   o 46.94887 11.54024 57.32743       22.02574 53.87000       31.00477 60.85000       31.29545 42.49166 14.67115 45.07151 14.73373 -2.579853      20.79244 
1 1 1 18 3  3   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 3  4   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 3  5   o 21.37774 9.632401 -2.273072      17.77874 -2.273072      17.77874 0.000000       0.000000 21.37774 9.632401 ?        ?        ?              ?        
1 1 1 18 3  6   f 29.77840 10.36744 21.67217       15.49711 23.09180       18.53127 18.37000       28.26287 30.65253 11.25819 30.52945 12.96895 0.1230869      17.17383 
1 1 1 18 3  7   o 39.34389 9.802257 38.86184       15.73322 35.16306       19.04160 46.82000       27.93061 36.28236 11.45820 39.63075 13.90987 -3.348392      18.02151 
1 1 1 18 3  8   o 17.52266 8.227332 -10.46975      14.99297 -19.81379      18.16827 9.478000       26.54564 17.65833 8.501841 27.54297 12.12661 -9.884636      14.81000 
1 1 1 18 3  9   o 16.80078 8.012721 -14.60120      15.31508 -24.31678      18.65999 5.451000       26.80761 17.17321 8.350712 26.55196 11.90703 -9.378754      14.54344 
1 1 1 18 3  10  o 32.33393 10.48144 27.19973       15.85541 34.51078       19.32037 12.12000       27.74738 35.50717 11.57458 28.25062 12.41955 7.256544       16.97693 
1 1 1 18 3  11  o 41.25174 9.823030 43.34673       16.35340 32.22709       19.92321 66.31000       28.63063 34.20762 11.76267 46.46072 13.94175 -12.25309      18.24097 
1 1 1 18 3  12  o 58.43224 7.180913 78.52105       16.82045 87.12128       20.59665 61.30000       29.14550 60.23320 8.594402 44.08849 14.20395 16.14471       16.60169 
1 1 1 18 3  13  o 26.91603 10.39376 16.48668       16.24219 22.12653       19.97276 5.474000       27.90944 29.79214 11.52002 26.66535 12.03689 3.126785       16.66126 
1 1 1 18 3  14  o 17.07580 8.143872 -14.49803      15.82042 -15.69473      19.43828 -12.15000      27.22807 18.96798 9.040962 23.10152 10.92026 -4.133545      14.17713 
1 1 1 18 3  15  o 40.26722 11.54028 44.99273       20.00709 46.27000       28.05019 43.67000       28.54490 38.29826 13.88409 37.26206 13.91943 1.036198       19.66007 
1 1 1 18 3  16  o 46.08758 9.176309 53.03743       16.70826 70.01798       20.86552 22.69000       27.89421 52.12041 10.14190 30.45166 12.90785 21.66876       16.41557 
1 1 1 18 3  17  f 32.01537 10.75428 28.09728       16.64231 24.29820       20.68506 35.07000       28.02324 30.03163 11.69284 33.60337 13.44386 -3.571749      17.81741 
1 1 1 18 3  18  o 21.71775 9.516932 4.459146       16.17509 3.480048       20.12049 6.248000       27.19651 22.95433 10.30291 25.66740 11.70267 -2.713076      15.59174 
1 1 1 18 3  19  o 31.19164 10.77504 27.78658       16.72474 26.60175       20.73952 29.99000       28.28255 30.17013 11.71904 31.03569 13.06824 -0.8655586     17.55320 
1 1 1 18 3  20  o 43.78757 9.811487 51.66717       17.15486 55.08535       21.30805 45.37000       28.92138 42.65058 11.80156 35.17458 13.78804 7.476006       18.14902 
1 1 1 18 4  -18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 4  -17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 4  -16 o 17.63815 8.679153 -29.77858      22.01919 -56.58000      32.08607 -5.921000      30.27267 19.09299 9.569208 23.99868 11.39422 -4.905687      14.87945 
1 1 1 18 4  -15 o 28.98058 11.84809 22.20052       22.30254 -8.952000      32.24559 50.77000       30.87984 24.38606 11.62932 37.55650 14.37537 -13.17044      18.49033 
1 1 1 18 4  -14 o 24.20271 10.82424 5.205050       21.99239 25.63000       32.04070 -12.99000      30.24114 30.96131 13.48431 23.46883 11.21122 7.492477       17.53619 
1 1 1 18 4  -13 o 22.03064 10.17444 -4.134576      21.47674 -6.792000      31.50652 -1.828000      29.35309 25.01600 11.80152 25.21451 11.73086 -0.1985168     16.63998 
1 1 1 18 4  -12 o 31.10633 12.02472 25.88994       21.75655 35.90000       31.61995 16.89000       29.98215 34.35340 14.08331 29.37715 12.91255 4.976255       19.10690 
1 1 1 18 4  -11 o 19.76911 9.408177 -15.19932      20.88277 3.034000       30.40039 -31.49000      28.73530 26.71878 12.25383 20.93232 10.21934 5.786457       15.95591 
1 1 1 18 4  -10 o 37.25520 12.17112 39.59568       21.35740 -5.906000      30.86262 81.41000       29.58569 25.35193 11.87156 52.15465 13.68486 -26.80272      18.11655 
1 1 1 18 4  -9  o 38.42514 12.06269 41.79133       21.13377 14.08000       30.27456 68.13000       29.51523 29.09219 12.87324 46.70055 14.18644 -17.60836      19.15660 
1 1 1 18 4  -8  o 22.49894 10.16268 -0.4876882     19.93206 -29.12000      29.11145 24.78000       27.34755 21.45066 10.43061 31.40632 13.00838 -9.955660      16.67380 
1 1 1 18 4  -7  o 27.84778 10.54168 18.46678       16.49092 29.92113       20.39998 -3.134000      28.01426 33.07748 11.85996 24.98809 11.56841 8.089392       16.56765 
1 1 1 18 4  -6  o 26.30462 10.11969 15.51090       15.35579 17.82551       18.79230 10.86000       26.63852 27.93511 11.06364 27.55815 12.14000 0.3769569      16.42509 
1 1 1 18 4  -5  o 49.34264 8.460152 58.48209       16.47832 51.43597       20.27081 72.21000       28.29427 43.66395 11.26361 49.14593 13.59949 -5.481976      17.65828 
1 1 1 18 4  -4  o 60.02212 6.984537 82.26264       16.84587 94.35914       20.74016 58.81000       28.87873 63.13312 8.217716 43.28452 14.15365 19.84860       16.36633 
1 1 1 18 4  -3  o 48.82866 8.706390 57.68095       16.76904 56.70891       20.81186 59.48000       28.31347 46.13168 11.14370 43.83418 13.98757 2.297501       17.88391 
1 1 1 18 4  -2  o 47.76751 11.34935 61.12297       21.86869 61.41000       32.29882 60.88000       29.71633 43.16705 14.97072 43.88570 14.35788 -0.7186508     20.74298 
1 1 1 18 4  -1  o 28.02303 10.58761 18.63654       16.61633 26.55468       20.24784 2.306000       29.07820 31.74132 11.74876 26.45902 12.07783 5.282295       16.84955 
1 1 1 18 4  0   o 41.93231 10.00918 44.93247       16.94683 53.27920       20.59124 27.41000       29.83471 44.56298 11.27700 32.52375 13.53897 12.03923       17.62029 
1 1 1 18 4  1   o 23.79832 9.954717 8.644281       16.24420 10.70667       19.83454 4.443000       28.30918 25.73626 10.89569 26.67124 12.07314 -0.9349823     16.26274 
1 1 1 18 4  2   o 34.85178 10.63343 32.07573       16.55811 27.23100       20.00656 42.61000       29.50124 32.01454 11.70761 37.17508 14.09342 -5.160542      18.32191 
1 1 1 18 4  3   o 25.92314 10.25958 14.12774       16.14950 16.39894       19.72235 9.506000       28.13415 27.63461 11.19969 27.68727 12.32178 -0.5265808E-01 16.65111 
1 1 1 18 4  4   o 42.05101 9.851039 45.01035       16.66324 63.75908       20.36244 7.002000       28.99236 49.86065 10.31402 27.32794 12.30815 22.53271       16.05831 
1 1 1 18 4  5   o 52.91506 8.116448 66.36653       17.02574 78.75307       20.91299 42.02000       29.31971 56.50718 9.366129 36.87378 14.03340 19.63340       16.87189 
1 1 1 18 4  6   o 42.50789 9.756085 45.86396       16.62098 51.06400       20.13736 34.75000       29.43969 43.51482 11.22715 34.48295 13.78494 9.031868       17.77846 
1 1 1 18 4  7   o 30.04666 10.69217 23.08756       16.54876 19.83691       20.15658 29.81000       28.98646 28.92491 11.45739 32.99246 13.50001 -4.067551      17.70655 
1 1 1 18 4  8   o 37.96074 12.23618 41.09656       21.62755 50.45000       29.66227 30.48000       31.60172 39.74079 14.29474 33.28991 13.90188 6.450882       19.93996 
1 1 1 18 4  9   o 23.99573 11.24949 -8.318000      27.84864 -8.318000      27.84864 0.000000       0.000000 23.99573 11.24949 ?        ?        ?              ?        
1 1 1 18 4  10  o 27.71664 12.44858 8.858000       29.42688 8.858000       29.42688 0.000000       0.000000 27.71664 12.44858 ?        ?        ?              ?        
1 1 1 18 4  11  o 23.64050 10.02014 8.010200       16.80779 18.96759       20.15862 -16.98000      30.44332 28.47792 11.39930 23.46109 11.21871 5.016836       15.99386 
1 1 1 18 4  12  o 37.52404 10.75448 38.00169       17.37493 26.32656       21.35447 60.87000       29.88649 31.26880 11.95790 43.09123 14.41076 -11.82242      18.72595 
1 1 1 18 4  13  o 24.37293 10.16412 10.58486       16.85856 12.85600       20.75371 6.179000       28.90608 26.21700 11.12423 26.60056 12.10360 -0.3835602     16.43915 
1 1 1 18 4  14  o 40.03151 10.50329 43.50460       17.42880 48.52745       21.53569 33.97000       29.67121 40.54332 12.07399 33.06207 13.60769 7.481251       18.19204 
1 1 1 18 4  15  o 26.40470 10.57426 16.59678       17.35439 22.68859       21.54407 5.339000       29.28741 29.10221 11.73741 25.96108 11.95065 3.141125       16.75067 
1 1 1 18 4  16  o 23.69965 11.37121 -11.02000      31.86358 -11.02000      31.86358 0.000000       0.000000 23.69965 11.37121 ?        ?        ?              ?        
1 1 1 18 4  17  o 31.14771 11.10433 28.54411       17.85701 41.59809       22.22042 4.741000       30.00528 35.83985 12.41790 25.44337 11.84513 10.39648       17.16134 
1 1 1 18 4  18  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18 5  -14 o 48.95551 14.66164 86.72000       31.68694 86.72000       31.68694 0.000000       0.000000 48.95551 14.66164 ?        ?        ?              ?        
1 1 1 18 5  -13 o 20.66002 10.09544 -25.22000      28.22553 -25.22000      28.22553 0.000000       0.000000 20.66002 10.09544 ?        ?        ?              ?        
1 1 1 18 5  -12 o 66.20488 12.15013 127.7000       31.72442 127.7000       31.72442 0.000000       0.000000 66.20488 12.15013 ?        ?        ?              ?        
1 1 1 18 5  -11 o 23.62817 10.12464 9.027765       17.49257 10.97683       21.43806 5.145000       30.25822 25.31012 11.02639 26.07065 12.05314 -0.7605381     16.33583 
1 1 1 18 5  -10 o 21.73372 9.668526 2.735716       17.30536 -14.67824      21.12236 38.29000       30.18142 19.62156 9.372350 34.06348 13.83651 -14.44192      16.71197 
1 1 1 18 5  -9  o 17.70471 8.430072 -13.32412      16.81038 -4.925108      20.59500 -30.09000      29.09785 21.35731 9.898450 20.90382 10.22219 0.4534874      14.22928 
1 1 1 18 5  -8  o 20.45863 9.293489 -1.969671      16.95404 -8.038963      20.96366 9.505000       28.82492 20.97402 9.809402 27.22831 12.26710 -6.254288      15.70688 
1 1 1 18 5  -7  o 32.27223 11.05667 28.33296       17.59890 29.75891       21.73737 25.62000       29.98307 32.52319 12.14725 31.38837 13.34671 1.134825       18.04690 
1 1 1 18 5  -6  o 29.92194 10.91701 23.27122       17.38081 20.12391       21.49233 29.22000       29.54797 28.96487 11.70856 32.46344 13.49048 -3.498575      17.86291 
1 1 1 18 5  -5  o 34.99572 11.04465 33.39874       17.69456 45.47669       21.87533 10.54000       30.09429 39.68830 12.24321 28.06610 12.59858 11.62221       17.56759 
1 1 1 18 5  -4  o 21.19877 9.511459 -0.1981190     17.13074 1.841897       21.27944 -3.955000      28.87733 23.53912 10.57798 24.98446 11.62774 -1.445345      15.71935 
1 1 1 18 5  -3  o 56.25706 8.176612 75.31671       18.28435 44.12887       22.27698 139.7000       32.00739 39.02371 12.40208 73.01616 11.05068 -33.99245      16.61112 
1 1 1 18 5  -2  o 88.14685 6.712852 175.7842       24.04693 189.4000       33.55024 161.4000       34.48398 87.51952 9.514916 78.59464 11.01736 8.924881       14.55733 
1 1 1 18 5  -1  o 60.15004 7.710384 84.66584       18.55433 89.63257       22.76965 74.85000       32.00997 59.98347 9.593561 47.98524 14.81150 11.99823       17.64701 
1 1 1 18 5  0   o 23.44103 10.04210 6.899595       17.20109 5.347371       21.12907 9.950000       29.61978 24.44102 10.78752 27.96776 12.53095 -3.526735      16.53467 
1 1 1 18 5  1   o 62.06988 7.386718 89.22202       18.40614 90.77613       22.52623 86.10000       31.92747 60.59731 9.381321 52.56480 14.40746 8.032509       17.19256 
1 1 1 18 5  2   o 36.64645 10.99789 36.38168       17.81548 27.83986       21.67686 54.16000       31.27277 32.04263 12.09584 40.47239 14.66169 -8.429756      19.00723 
1 1 1 18 5  3   o 25.66254 10.45434 13.06122       17.28904 9.390676       21.05014 20.67000       30.30729 25.53059 11.02493 30.50253 13.20047 -4.971939      17.19888 
1 1 1 18 5  4   o 18.43291 8.726242 -12.65897      17.50755 -11.45242      21.59957 -14.97000      29.89329 20.79310 9.797722 23.54623 11.21996 -2.753136      14.89573 
1 1 1 18 5  5   o 48.45152 9.533291 59.03098       18.23967 59.38525       22.48904 58.35000       31.17992 46.15206 11.84242 41.78744 14.69434 4.364616       18.87238 
1 1 1 18 5  6   o 22.31169 9.801190 3.614065       17.25086 -6.416150      20.97689 24.57000       30.32072 21.45059 9.958264 31.27592 13.36400 -9.825335      16.66624 
1 1 1 18 5  7   o 32.82087 11.02185 29.38785       17.48085 30.40129       21.46136 27.39000       30.13285 32.80556 12.10412 31.86198 13.45644 0.9435825      18.09932 
1 1 1 18 5  8   o 33.57946 11.11984 31.30285       17.80428 36.09824       21.99131 22.18000       30.33227 34.95486 12.33650 30.34339 13.16844 4.611467       18.04431 
1 1 1 18 5  9   o 41.38186 10.52556 46.28650       17.87416 25.00896       21.84315 89.41000       31.09650 30.30495 11.95117 52.99889 14.08843 -22.69394      18.47469 
1 1 1 18 5  10  o 47.91047 9.538486 59.13497       18.05458 49.43308       22.17960 78.19000       31.08354 40.47146 12.29853 47.92101 14.55873 -7.449551      19.05808 
1 1 1 18 5  11  o 26.44238 10.65376 16.68510       17.72983 1.184476       21.90755 46.11000       30.18399 22.96712 10.48369 36.08593 14.10325 -13.11881      17.57298 
1 1 1 18 5  12  o 21.48531 9.646287 2.195678       17.65143 1.978926       21.85822 2.602000       29.92732 22.97203 10.48055 25.31653 11.80069 -2.344505      15.78285 
1 1 1 18 5  13  o 31.25777 11.07718 28.57272       17.74557 50.61248       22.07354 -11.70000      29.83829 40.16442 12.28180 22.91899 10.99855 17.24543       16.48669 
1 1 1 18 5  14  o 23.44489 10.65564 4.471971       22.32457 10.89000       32.32906 -1.378000      30.86520 26.83688 12.42540 24.55913 11.61451 2.277742       17.00845 
1 1 1 18 6  -10 o 24.53516 11.86710 -10.04000      36.39709 -10.04000      36.39709 0.000000       0.000000 24.53516 11.86710 ?        ?        ?              ?        
1 1 1 18 6  -9  o 33.63826 12.55960 37.32967       23.23435 37.32967       23.23435 0.000000       0.000000 33.63826 12.55960 ?        ?        ?              ?        
1 1 1 18 6  -8  o 29.32094 12.08566 24.98234       23.45033 24.98234       23.45033 0.000000       0.000000 29.32094 12.08566 ?        ?        ?              ?        
1 1 1 18 6  -7  o 20.06017 9.605568 -13.83556      22.48382 -13.83556      22.48382 0.000000       0.000000 20.06017 9.605568 ?        ?        ?              ?        
1 1 1 18 6  -6  o 24.29237 10.47252 10.45741       18.93095 11.45556       22.75598 8.214000       34.11539 25.48685 11.22428 26.98468 12.58529 -1.497839      16.86339 
1 1 1 18 6  -5  o 53.45374 9.254588 73.44585       19.52306 62.65487       24.05536 94.27000       33.41681 44.95543 12.57685 51.53785 14.95867 -6.582417      19.54326 
1 1 1 18 6  -4  o 41.46945 11.03568 48.90908       19.06717 55.01080       23.74031 37.82000       32.00429 41.72451 12.73283 33.19854 13.93551 8.525963       18.87653 
1 1 1 18 6  -3  o 28.49331 11.16932 21.71173       18.97914 32.50447       23.56717 1.796000       32.01400 32.43757 12.52157 25.82439 12.09221 6.613180       17.40722 
1 1 1 18 6  -2  o 26.12748 11.45973 12.23594       23.50099 12.23594       23.50099 0.000000       0.000000 26.12748 11.45973 ?        ?        ?              ?        
1 1 1 18 6  -1  o 20.99656 9.981290 -11.86467      23.37426 -50.09000      33.98235 22.46000       32.20186 20.43744 10.18201 29.84422 13.23769 -9.406790      16.70059 
1 1 1 18 6  0   o 57.27862 8.813726 81.96780       20.01001 93.47131       24.81041 60.56000       33.84578 58.85723 10.68815 39.80719 15.09455 19.05005       18.49546 
1 1 1 18 6  1   o 56.36460 8.993255 79.99310       20.05911 66.24723       24.75102 106.3000       34.24065 46.62289 12.64706 56.37368 14.68813 -9.750790      19.38271 
1 1 1 18 6  2   o 18.27634 8.744866 -14.62240      18.55944 -23.38071      23.01917 1.647000       31.37366 19.05374 9.267381 25.72235 12.02040 -6.668613      15.17809 
1 1 1 18 6  3   o 24.38878 10.46440 10.37716       18.73218 0.5708290      23.28839 28.35000       31.52787 23.25564 10.68750 30.97718 13.43458 -7.721540      17.16714 
1 1 1 18 6  4   o 27.86857 11.01073 20.36691       18.57173 22.04636       23.06412 17.27000       31.31967 28.76485 11.93314 28.42046 12.79707 0.3443928      17.49757 
1 1 1 18 6  5   o 36.19242 11.46354 38.93790       19.04672 42.80744       24.13573 32.55000       31.01061 36.09814 12.90525 31.76739 13.54286 4.330751       18.70708 
1 1 1 18 6  6   o 47.78354 10.07449 61.40845       19.08982 46.50306       23.75719 88.57000       32.07011 37.64487 12.84766 50.09164 14.68697 -12.44677      19.51331 
1 1 1 18 6  7   o 24.73198 10.51166 12.28803       18.58393 15.08416       23.27396 7.369000       30.86962 26.47831 11.51263 26.17704 12.12750 0.3012695      16.72175 
1 1 1 18 6  8   o 32.29342 11.47399 31.55382       19.05060 18.18862       23.59709 56.57000       32.28354 27.28408 11.72638 37.84877 14.64326 -10.56469      18.75988 
1 1 1 18 6  9   o 56.04462 8.789382 79.99153       19.50772 68.80375       24.43390 99.66000       32.39710 46.91579 12.49603 53.55787 14.44416 -6.642078      19.09933 
1 1 1 18 6  10  o 21.89732 10.71697 -24.04000      32.18228 -24.04000      32.18228 0.000000       0.000000 21.89732 10.71697 ?        ?        ?              ?        
1 1 1 19 0  -23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 0  -22 o 22.58988 14.58542 17.02000       31.43785 17.02000       31.43785 17.02000       31.43785 22.58988 14.58542 22.58988 14.58542 0.000000       0.000000 
1 1 1 19 0  -21 o 17.61034 12.18753 -9.659000      30.05955 -9.659000      30.05955 -9.659000      30.05955 17.61034 12.18753 17.61034 12.18753 0.000000       0.000000 
1 1 1 19 0  -20 o 56.44285 16.68430 97.70000       33.52665 97.70000       33.52665 97.70000       33.52665 56.44285 16.68430 56.44285 16.68430 0.000000       0.000000 
1 1 1 19 0  -19 o 27.15440 16.02481 30.22000       30.48556 30.22000       30.48556 30.22000       30.48556 27.15440 16.02481 27.15440 16.02481 0.000000       0.000000 
1 1 1 19 0  -18 o 28.33071 16.38887 33.17000       30.85361 33.17000       30.85361 33.17000       30.85361 28.33071 16.38887 28.33071 16.38887 0.000000       0.000000 
1 1 1 19 0  -17 o 25.37995 15.28771 23.97000       28.84085 23.97000       28.84085 23.97000       28.84085 25.37995 15.28771 25.37995 15.28771 0.000000       0.000000 
1 1 1 19 0  -16 o 19.94398 13.18282 3.697000       27.96759 3.697000       27.96759 3.697000       27.96759 19.94398 13.18282 19.94398 13.18282 0.000000       0.000000 
1 1 1 19 0  -15 o 24.12654 14.84178 19.86000       28.45450 19.86000       28.45450 19.86000       28.45450 24.12654 14.84178 24.12654 14.84178 0.000000       0.000000 
1 1 1 19 0  -14 o 19.31536 12.90560 0.1842000      28.04015 0.1842000      28.04015 0.1842000      28.04015 19.31536 12.90560 19.31536 12.90560 0.000000       0.000000 
1 1 1 19 0  -13 o 15.56062 10.96885 -23.33000      27.71938 -23.33000      27.71938 -23.33000      27.71938 15.56062 10.96885 15.56062 10.96885 0.000000       0.000000 
1 1 1 19 0  -12 o 23.09773 14.42372 15.26000       27.88339 15.26000       27.88339 15.26000       27.88339 23.09773 14.42372 23.09773 14.42372 0.000000       0.000000 
1 1 1 19 0  -11 o 59.77390 14.35220 94.90000       30.46472 94.90000       30.46472 94.90000       30.46472 59.77390 14.35220 59.77390 14.35220 0.000000       0.000000 
1 1 1 19 0  -10 o 19.48643 12.97839 -0.7538000     27.96836 -0.7538000     27.96836 -0.7538000     27.96836 19.48643 12.97839 19.48643 12.97839 0.000000       0.000000 
1 1 1 19 0  -9  o 21.36302 13.77931 7.276000       27.96532 7.276000       27.96532 7.276000       27.96532 21.36302 13.77931 21.36302 13.77931 0.000000       0.000000 
1 1 1 19 0  -8  o 46.96345 16.64273 67.38000       29.11069 67.38000       29.11069 67.38000       29.11069 46.96345 16.64273 46.96345 16.64273 0.000000       0.000000 
1 1 1 19 0  -7  o 40.46738 17.52104 56.06000       29.94382 56.06000       29.94382 56.06000       29.94382 40.46738 17.52104 40.46738 17.52104 0.000000       0.000000 
1 1 1 19 0  -6  o 21.76125 14.04675 6.734000       29.13356 6.734000       29.13356 6.734000       29.13356 21.76125 14.04675 21.76125 14.04675 0.000000       0.000000 
1 1 1 19 0  -5  o 28.72925 16.21885 29.52000       29.18542 29.52000       29.18542 29.52000       29.18542 28.72925 16.21885 28.72925 16.21885 0.000000       0.000000 
1 1 1 19 0  -4  o 60.77763 14.86342 96.48000       32.03886 96.48000       32.03886 96.48000       32.03886 60.77763 14.86342 60.77763 14.86342 0.000000       0.000000 
1 1 1 19 0  -3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 0  -2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 0  -1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 0  0   o 25.81604 15.69242 19.86000       30.96964 19.86000       30.96964 19.86000       30.96964 25.81604 15.69242 25.81604 15.69242 0.000000       0.000000 
1 1 1 19 0  1   o 23.22068 14.72337 10.91000       30.29087 10.91000       30.29087 10.91000       30.29087 23.22068 14.72337 23.22068 14.72337 0.000000       0.000000 
1 1 1 19 0  2   o 67.35207 13.35959 111.8000       32.73732 111.8000       32.73732 111.8000       32.73732 67.35207 13.35959 67.35207 13.35959 0.000000       0.000000 
1 1 1 19 0  3   o 68.93584 12.41816 114.5000       31.67549 114.5000       31.67549 114.5000       31.67549 68.93584 12.41816 68.93584 12.41816 0.000000       0.000000 
1 1 1 19 0  4   o 16.72452 11.65376 -20.40000      28.73834 -20.40000      28.73834 -20.40000      28.73834 16.72452 11.65376 16.72452 11.65376 0.000000       0.000000 
1 1 1 19 0  5   o 18.90658 12.74088 -6.005000      28.41572 -6.005000      28.41572 -6.005000      28.41572 18.90658 12.74088 18.90658 12.74088 0.000000       0.000000 
1 1 1 19 0  6   o 20.48326 13.45298 2.000000       28.41044 2.000000       28.41044 2.000000       28.41044 20.48326 13.45298 20.48326 13.45298 0.000000       0.000000 
1 1 1 19 0  7   o 22.32735 14.18705 10.12000       28.29857 10.12000       28.29857 10.12000       28.29857 22.32735 14.18705 22.32735 14.18705 0.000000       0.000000 
1 1 1 19 0  8   o 13.61378 9.789437 -39.49000      26.59436 -39.49000      26.59436 -39.49000      26.59436 13.61378 9.789437 13.61378 9.789437 0.000000       0.000000 
1 1 1 19 0  9   o 14.63803 10.41595 -31.02000      27.08386 -31.02000      27.08386 -31.02000      27.08386 14.63803 10.41595 14.63803 10.41595 0.000000       0.000000 
1 1 1 19 0  10  o 15.51243 10.91779 -23.48000      27.12616 -23.48000      27.12616 -23.48000      27.12616 15.51243 10.91779 15.51243 10.91779 0.000000       0.000000 
1 1 1 19 0  11  o 20.13340 13.19797 3.799000       27.14814 3.799000       27.14814 3.799000       27.14814 20.13340 13.19797 20.13340 13.19797 0.000000       0.000000 
1 1 1 19 0  12  o 42.34620 16.55073 59.06000       27.41598 59.06000       27.41598 59.06000       27.41598 42.34620 16.55073 42.34620 16.55073 0.000000       0.000000 
1 1 1 19 0  13  o 16.28373 11.23896 -11.95000      25.13867 -11.95000      25.13867 -11.95000      25.13867 16.28373 11.23896 16.28373 11.23896 0.000000       0.000000 
1 1 1 19 0  14  o 32.29820 16.25701 40.43000       26.50516 40.43000       26.50516 40.43000       26.50516 32.29820 16.25701 32.29820 16.25701 0.000000       0.000000 
1 1 1 19 0  15  o 16.67215 11.44312 -9.220000      25.21850 -9.220000      25.21850 -9.220000      25.21850 16.67215 11.44312 16.67215 11.44312 0.000000       0.000000 
1 1 1 19 0  16  o 15.45529 10.80701 -17.17000      25.32217 -17.17000      25.32217 -17.17000      25.32217 15.45529 10.80701 15.45529 10.80701 0.000000       0.000000 
1 1 1 19 0  17  o 17.39180 11.90228 -7.986000      26.83852 -7.986000      26.83852 -7.986000      26.83852 17.39180 11.90228 17.39180 11.90228 0.000000       0.000000 
1 1 1 19 0  18  o 49.69978 16.02020 75.48000       28.78200 75.48000       28.78200 75.48000       28.78200 49.69978 16.02020 49.69978 16.02020 0.000000       0.000000 
1 1 1 19 0  19  o 26.42561 15.39522 27.89000       27.53163 27.89000       27.53163 27.89000       27.53163 26.42561 15.39522 26.42561 15.39522 0.000000       0.000000 
1 1 1 19 0  20  o 18.20695 12.33150 -2.502000      27.28073 -2.502000      27.28073 -2.502000      27.28073 18.20695 12.33150 18.20695 12.33150 0.000000       0.000000 
1 1 1 19 0  21  o 16.80260 11.60997 -9.364000      27.00872 -9.364000      27.00872 -9.364000      27.00872 16.80260 11.60997 16.80260 11.60997 0.000000       0.000000 
1 1 1 19 0  22  o 13.08701 9.256489 -18.18544      20.29321 -18.18544      20.29321 -18.18544      20.29321 13.08701 9.256489 13.08701 9.256489 0.000000       0.000000 
1 1 1 19 0  23  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 1  -21 o 28.55361 11.88601 23.03984       22.99364 26.93000       32.29425 19.04000       32.74631 29.85253 13.24819 28.29464 12.87758 1.557884       18.47557 
1 1 1 19 1  -20 o 25.60235 11.25430 12.18253       22.78025 -10.48000      31.35141 37.53000       33.15661 23.52250 11.28444 32.59789 13.95305 -9.075380      17.94509 
1 1 1 19 1  -19 o 28.87035 11.92815 22.21254       22.91568 35.54000       32.40276 8.877000       32.41258 32.68933 13.88640 27.07313 12.50180 5.616199       18.68495 
1 1 1 19 1  -18 o 23.31454 10.59338 1.564866       22.04502 -23.22000      30.84039 27.46000       31.52358 22.27728 10.81018 31.30587 13.50513 -9.028589      17.29880 
1 1 1 19 1  -17 o 41.39550 12.39394 50.38383       22.64544 54.25000       32.03036 46.52000       32.02063 39.64223 14.75734 37.15448 14.52450 2.487755       20.70604 
1 1 1 19 1  -16 o 23.17530 10.52592 -0.3293202     21.73837 10.22000       30.86730 -10.71000      30.61959 28.18861 12.69748 24.40495 11.54952 3.783655       17.16442 
1 1 1 19 1  -15 f 33.81091 12.18496 32.00402       21.56466 38.60000       30.41908 25.34000       30.57557 35.53144 14.07482 31.78120 13.49446 3.750242       19.49875 
1 1 1 19 1  -14 o 43.78116 11.78003 53.02164       21.57870 24.04000       30.85695 80.76000       30.18783 31.55676 13.48277 51.62970 13.95107 -20.07295      19.40148 
1 1 1 19 1  -13 o 26.45252 11.15748 12.45360       20.67316 -0.3452000     29.52115 24.77000       28.95948 25.97287 11.97130 31.55627 13.25172 -5.583393      17.85834 
1 1 1 19 1  -12 o 59.34725 9.127031 86.01588       21.47022 79.98000       30.78794 91.73000       29.95611 51.03305 14.21054 56.47302 13.19369 -5.439968      19.39105 
1 1 1 19 1  -11 f 28.32579 11.42497 17.77639       20.41374 26.86000       29.19413 9.086000       28.55523 32.35130 13.42370 27.76462 12.38126 4.586676       18.26175 
1 1 1 19 1  -10 o 40.02233 11.58181 43.62029       20.05958 24.41000       28.77997 61.77000       27.97424 31.77186 13.26724 45.26638 13.82325 -13.49452      19.15990 
1 1 1 19 1  -9  o 36.25474 11.82533 35.72768       20.16500 27.00000       28.57137 44.39000       28.46417 32.72383 13.39803 38.49926 13.98199 -5.775425      19.36500 
1 1 1 19 1  -8  o 55.15784 9.720490 74.55550       21.15247 49.10000       30.11282 99.35000       29.71927 40.27150 14.41288 60.93707 12.33434 -20.66557      18.97016 
1 1 1 19 1  -7  o 30.86673 11.69314 23.02880       20.29911 18.03000       28.98576 27.84000       28.43669 30.68392 13.08749 33.38363 13.47753 -2.699705      18.78633 
1 1 1 19 1  -6  o 27.70656 11.29132 14.53152       20.17742 22.13000       28.92676 7.331000       28.15908 31.95265 13.31869 27.99862 12.40104 3.954033       18.19817 
1 1 1 19 1  -5  o 61.14926 8.837882 87.95513       21.48793 107.1000       30.97294 70.19000       29.83599 64.00802 12.26375 49.44906 14.06718 14.55896       18.66240 
1 1 1 19 1  -4  o 24.93506 10.78119 5.614760       20.17943 -1.187000      28.94152 12.05000       28.15095 26.60571 12.10792 29.33880 12.70948 -2.733093      17.55371 
1 1 1 19 1  -3  o 36.41552 11.96953 34.57848       20.64212 51.39000       29.95174 19.37000       28.48797 42.13156 14.42453 31.44111 13.16943 10.69045       19.53205 
1 1 1 19 1  -2  o 41.05003 12.09321 44.47305       21.69931 36.49000       30.41381 52.75000       30.96862 36.90427 14.23023 42.55418 14.66390 -5.649910      20.43354 
1 1 1 19 1  -1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 1  0   o 55.13912 10.18846 73.98862       22.15629 65.20000       31.75096 82.33000       30.93252 47.24328 14.77886 54.56698 13.82880 -7.323704      20.23982 
1 1 1 19 1  1   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 1  2   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 1  3   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 1  4   o 34.35328 12.19486 30.33797       21.51521 52.18000       30.78050 9.471000       30.08562 42.13826 14.61457 29.24355 12.89126 12.89471       19.48769 
1 1 1 19 1  5   o 28.13722 11.44880 15.09359       20.70521 48.18000       29.46538 -17.18000      29.10119 40.70806 14.28701 23.75512 11.24718 16.95294       18.18290 
1 1 1 19 1  6   o 53.59632 10.08162 70.67219       21.31347 75.80000       30.20936 65.59000       30.07469 51.40863 13.98345 47.21662 14.31552 4.192005       20.01177 
1 1 1 19 1  7   o 24.23003 10.55465 4.714396       19.63822 9.975000       27.89202 -0.4571000     27.65478 28.40713 12.47129 26.01223 11.83700 2.394899       17.19441 
1 1 1 19 1  8   o 26.73181 11.00835 12.93792       19.43237 1.511000       27.67551 24.05000       27.29157 26.31939 11.92322 31.94512 13.08861 -5.625729      17.70522 
1 1 1 19 1  9   o 26.28109 10.90542 12.17516       19.26910 36.62000       27.38953 -11.78000      27.11381 35.80964 13.57875 23.44834 11.02665 12.36129       17.49199 
1 1 1 19 1  10  o 29.92921 11.37027 22.07276       19.22649 23.26000       27.45372 20.93000       26.93443 31.28903 13.00313 30.54716 12.80085 0.7418652      18.24673 
1 1 1 19 1  11  f 21.23153 9.727716 -4.381704      19.09520 -13.80000      26.79860 5.332000       27.21563 22.79360 10.79226 26.57242 11.95011 -3.778820      16.10212 
1 1 1 19 1  12  o 36.14078 11.57154 35.99501       19.36465 25.33000       27.06558 47.18000       27.71754 31.58728 12.99814 39.03568 13.84298 -7.448399      18.98894 
1 1 1 19 1  13  o 25.60189 10.72815 11.38882       18.91719 30.41000       26.44334 -8.550000      27.07368 33.10850 13.12036 23.68442 11.09980 9.424078       17.18573 
1 1 1 19 1  14  o 23.75109 10.36960 5.446196       19.04826 -20.73000      26.64680 32.80000       27.23960 21.57284 10.36328 33.89298 13.35225 -12.32014      16.90207 
1 1 1 19 1  15  f 30.69087 11.55400 24.49049       19.74811 -15.31000      27.68169 65.74000       28.18109 22.76037 10.83180 46.25925 13.82037 -23.49888      17.55934 
1 1 1 19 1  16  o 19.36571 9.156169 -12.49149      19.15978 -25.07000      26.59719 1.077000       27.62401 20.84161 10.09590 25.51239 11.69322 -4.670778      15.44858 
1 1 1 19 1  17  o 25.89088 10.22640 14.88533       16.01592 19.29227       19.60489 6.043000       27.77024 28.26793 11.26623 26.34060 11.93713 1.927330       16.41411 
1 1 1 19 1  18  o 18.62099 8.675253 -7.118761      16.14079 -14.64839      19.88852 7.409000       27.62582 19.07449 9.106492 26.22181 11.89234 -7.147314      14.97852 
1 1 1 19 1  19  o 25.89883 10.32269 15.95206       16.45966 29.55356       20.55923 -8.329000      27.46928 31.60839 11.81189 22.96379 10.88859 8.644598       16.06494 
1 1 1 19 1  20  o 30.87945 10.76733 27.35048       16.71912 29.88744       20.85735 22.79000       27.96451 31.34963 11.85811 29.00548 12.61539 2.344154       17.31366 
1 1 1 19 1  21  o 22.21560 9.690631 6.728036       16.60378 20.88955       20.70170 -18.81000      27.80000 27.74373 11.38689 21.18165 10.27501 6.562073       15.33744 
1 1 1 19 2  -19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 2  -18 o 47.38515 12.39872 69.27650       24.33028 44.92000       34.24941 94.09000       34.56923 34.14001 14.37843 49.77055 15.39733 -15.63054      21.06696 
1 1 1 19 2  -17 o 28.17808 11.78677 20.57526       22.77358 16.20000       32.55136 24.77000       31.87277 28.24133 12.84782 29.92560 13.22691 -1.684271      18.43957 
1 1 1 19 2  -16 o 19.87350 9.527653 -16.03037      22.26786 -1.663000      31.82555 -29.81000      31.16778 25.40950 11.94811 21.48833 10.52307 3.921175       15.92144 
1 1 1 19 2  -15 o 20.67793 9.785753 -11.51508      21.98201 0.5160000      31.53951 -22.88000      30.65390 26.00303 12.11858 22.34163 10.82632 3.661402       16.25021 
1 1 1 19 2  -14 o 60.56788 9.722192 92.71630       23.29626 137.3000       33.93127 52.96000       32.04166 70.24364 12.24166 39.30072 14.73378 30.94292       19.15574 
1 1 1 19 2  -13 o 33.54758 12.22118 31.80187       21.76960 52.61000       31.27748 12.25000       30.31862 39.73661 14.62087 28.48376 12.72609 11.25285       19.38358 
1 1 1 19 2  -12 o 29.54568 11.79259 21.24232       21.51055 27.71000       30.53410 14.87000       30.30817 32.37328 13.60179 29.19568 12.90151 3.177605       18.74721 
1 1 1 19 2  -11 o 28.43243 11.61205 17.97627       21.39573 -11.63000      30.16025 47.97000       30.35696 24.24721 11.47120 38.67346 14.37244 -14.42625      18.38900 
1 1 1 19 2  -10 o 52.28904 10.44983 70.43221       21.59105 70.58000       30.83225 70.29000       30.24494 47.08181 14.53714 47.25484 14.36195 -0.1730232     20.43512 
1 1 1 19 2  -9  o 36.25682 11.99828 36.99070       20.72937 32.49000       29.55253 41.35000       29.08458 33.79546 13.70482 36.63682 13.96890 -2.841358      19.56917 
1 1 1 19 2  -8  o 25.33982 10.81211 9.725918       19.79608 11.17000       28.17509 8.318000       27.82006 28.01368 12.40630 27.27867 12.18886 0.7350044      17.39208 
1 1 1 19 2  -7  o 32.20494 11.80426 27.78126       20.35612 39.04000       29.20253 17.14000       28.39043 35.94669 13.92166 29.54222 12.78055 6.404461       18.89855 
1 1 1 19 2  -6  o 31.10968 11.54344 25.08539       19.56824 26.52000       28.23803 23.76000       27.14186 32.14783 13.25762 31.23513 12.95039 0.9126987      18.53314 
1 1 1 19 2  -5  o 26.34366 10.97245 12.60638       19.61141 -3.042000      28.28176 27.10000       27.21824 25.23734 11.66256 32.31217 13.13434 -7.074823      17.56491 
1 1 1 19 2  -4  o 31.11861 11.66473 24.83665       20.08190 -7.859000      28.75417 55.97000       28.05878 24.57736 11.49262 42.75761 13.94935 -18.18025      18.07387 
1 1 1 19 2  -3  o 60.37560 8.940793 87.81911       21.43637 60.61000       30.15921 115.6000       30.47445 43.96985 14.46883 66.13735 11.67986 -22.16750      18.59479 
1 1 1 19 2  -2  o 55.01072 10.04729 75.77564       21.79819 102.2000       31.40501 51.21000       30.28034 60.38562 13.08014 40.44180 14.45531 19.94382       19.49477 
1 1 1 19 2  -1  o 39.68985 12.08591 43.69437       21.40447 12.78000       30.51174 73.65000       30.03488 29.25547 12.93557 49.46239 14.12811 -20.20691      19.15548 
1 1 1 19 2  0   o 20.88431 9.749708 -9.691319      20.55546 -31.59000      29.70098 10.44000       28.47724 21.59191 10.50755 28.26630 12.49759 -6.674383      16.32784 
1 1 1 19 2  1   o 40.13655 11.95938 44.41546       21.12429 64.85000       30.57821 25.76000       29.21679 45.61323 14.53413 32.30362 13.41857 13.30960       19.78127 
1 1 1 19 2  2   o 33.62968 12.06989 30.55172       21.13429 38.88000       30.74391 23.09000       29.10054 36.20784 14.20905 31.51540 13.26223 4.692444       19.43666 
1 1 1 19 2  3   o 21.29108 9.860411 -7.177902      20.38003 -9.403000      29.29498 -5.091000      28.37068 24.54408 11.51655 24.97341 11.58936 -0.4293270     16.33842 
1 1 1 19 2  4   o 66.58008 8.337128 104.7567       22.23233 86.09000       31.66721 122.9000       31.22009 53.46237 14.21964 68.27641 11.58044 -14.81403      18.33861 
1 1 1 19 2  5   o 28.10551 11.40054 17.06862       20.45670 5.657000       29.47053 27.68000       28.41843 27.29976 12.34178 32.57133 13.35187 -5.271568      18.18219 
1 1 1 19 2  6   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 2  7   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 2  8   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 2  9   o 18.21034 8.770011 -19.90682      19.36369 -55.06000      26.95485 17.58000       27.83517 17.79803 8.898077 29.48989 12.70586 -11.69186      15.51176 
1 1 1 19 2  10  o 20.54297 9.551273 -7.799164      19.40969 -11.96000      26.97040 -3.329000      27.95496 23.06736 10.89336 24.93238 11.54735 -1.865025      15.87472 
1 1 1 19 2  11  o 29.45349 11.44196 21.36848       19.77211 24.90000       27.34629 17.50000       28.62123 31.41450 13.00959 29.58378 12.81540 1.830723       18.26155 
1 1 1 19 2  12  o 14.79809 7.416629 -45.60728      19.27374 -45.60728      19.27374 0.000000       0.000000 14.79809 7.416629 ?        ?        ?              ?        
1 1 1 19 2  13  o 62.86741 6.963006 90.56692       17.62435 98.75778       21.79707 75.10000       29.95265 64.06681 8.519846 48.96992 14.14691 15.09689       16.51433 
1 1 1 19 2  14  o 54.88176 8.010843 71.80870       17.47189 77.70036       21.71782 61.00000       29.41602 55.07852 9.997731 43.09235 14.29398 11.98617       17.44341 
1 1 1 19 2  15  o 21.81695 9.619348 3.417468       16.75956 -0.6539750     20.85058 10.85000       28.17166 22.43048 10.23450 27.19964 12.20116 -4.769157      15.92524 
1 1 1 19 2  16  o 31.51983 13.44845 29.57000       30.62457 29.57000       30.62457 0.000000       0.000000 31.51983 13.44845 ?        ?        ?              ?        
1 1 1 19 2  17  o 25.51730 10.33788 15.14312       16.79698 33.83913       20.73456 -20.55000      28.64921 33.22709 11.95151 21.50016 10.42980 11.72693       15.86252 
1 1 1 19 2  18  o 22.09193 9.673222 6.008929       16.68126 2.425965       20.82735 12.42000       27.85980 22.56074 10.26874 26.51246 11.99147 -3.951717      15.78741 
1 1 1 19 2  19  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 3  -16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 3  -15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 3  -14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 3  -13 o 29.51744 12.08677 23.85894       23.25615 13.98000       33.18792 33.39000       32.59834 28.21741 12.88913 32.29308 13.82911 -4.075661      18.90433 
1 1 1 19 3  -12 o 18.93332 9.207292 -23.99672      22.69616 -31.60000      32.58236 -16.83000      31.63312 21.85733 10.71526 23.30000 11.21815 -1.442663      15.51334 
1 1 1 19 3  -11 o 31.62328 12.34756 28.32424       23.11895 -10.87000      32.94315 66.36000       32.45264 24.70224 11.77294 43.31593 15.00717 -18.61369      19.07399 
1 1 1 19 3  -10 o 25.68663 11.17501 9.743011       21.95598 10.39000       31.63875 9.142000       30.49379 28.14549 12.74965 27.65967 12.52447 0.4858284      17.87221 
1 1 1 19 3  -9  o 47.17525 11.70271 61.59799       22.49648 65.34000       31.88770 57.89000       31.74246 44.03452 14.88651 41.37078 14.79872 2.663746       20.99072 
1 1 1 19 3  -8  o 20.24506 9.581919 -13.08133      21.08637 -33.91000      30.21669 6.690000       29.43974 21.22195 10.38603 27.17043 12.30421 -5.948479      16.10165 
1 1 1 19 3  -7  o 43.30772 12.03694 52.82362       22.11216 37.15000       31.61163 67.84000       30.94176 34.99724 14.18077 45.74096 14.62522 -10.74372      20.37134 
1 1 1 19 3  -6  o 36.13381 12.11886 37.04116       21.13434 40.42000       30.04082 33.73000       29.73841 36.15342 14.08697 34.09403 13.77604 2.059387       19.70335 
1 1 1 19 3  -5  o 21.71838 10.07083 -6.597381      21.35876 -27.64000      30.67316 13.21000       29.75926 22.21713 10.78095 28.78079 12.74795 -6.563658      16.69548 
1 1 1 19 3  -4  o 49.52671 11.03896 64.94871       21.81469 85.49000       31.54871 46.13000       30.19692 52.74965 14.26565 38.09549 14.29888 14.65416       20.19818 
1 1 1 19 3  -3  o 26.22494 11.23591 10.94429       21.53812 -1.166000      31.32719 21.80000       29.66014 26.34444 12.20922 30.84825 13.20033 -4.503805      17.98093 
1 1 1 19 3  -2  o 31.82962 12.15027 27.01941       22.02097 3.128000       32.03571 48.42000       30.31980 27.30068 12.54224 38.87469 14.37914 -11.57401      19.08055 
1 1 1 19 3  -1  o 31.16051 12.08961 25.26591       22.05211 -5.437000      32.19236 52.41000       30.26918 25.88165 12.12123 40.30510 14.44727 -14.42344      18.85862 
1 1 1 19 3  0   o 24.07264 10.68296 3.927474       20.99789 21.48000       30.69050 -11.52000      28.79141 30.90974 13.32981 23.80974 11.24732 7.100006       17.44092 
1 1 1 19 3  1   o 27.93387 11.57539 16.27757       21.66792 30.80000       31.73429 3.594000       29.65720 33.38239 13.93505 26.76532 12.20993 6.617071       18.52749 
1 1 1 19 3  2   o 25.30293 11.02445 7.868205       21.43548 29.12000       31.35011 -10.79000      29.37489 32.91518 13.80289 24.12873 11.38670 8.786446       17.89348 
1 1 1 19 3  3   o 59.44524 9.667777 88.02572       22.72463 79.21000       33.33430 95.68000       31.06096 49.20639 15.10160 57.27701 13.47110 -8.070621      20.23682 
1 1 1 19 3  4   o 54.78709 8.351573 71.67386       18.14415 79.43282       22.81740 58.33000       29.92300 55.66414 10.39286 42.60808 14.42054 13.05606       17.77536 
1 1 1 19 3  5   o 34.72296 10.84790 32.28806       17.11257 49.61138       21.45093 1.966000       28.37985 42.12198 11.90930 26.05863 11.90909 16.06335       16.84214 
1 1 1 19 3  6   o 40.18224 10.41105 42.34470       17.26708 50.19479       21.22692 26.99000       29.68728 42.48259 11.78824 32.16284 13.45581 10.31975       17.88914 
1 1 1 19 3  7   o 32.30826 10.86858 27.77088       16.99760 43.25604       20.94336 -2.114000      29.09473 39.10721 11.96416 25.44074 11.78196 13.66647       16.79154 
1 1 1 19 3  8   o 32.77844 10.87360 28.79721       17.02247 39.88515       20.95229 7.268000       29.19578 37.39075 12.04285 27.22877 12.29932 10.16198       17.21347 
1 1 1 19 3  9   o 23.06780 9.876410 6.728274       16.62024 -0.2533396     20.53690 19.98000       28.29392 22.67330 10.27128 29.90099 12.84564 -7.227695      16.44718 
1 1 1 19 3  10  o 27.14950 10.53864 17.43777       16.76328 41.15820       20.80426 -26.47000      28.30490 37.75900 11.98334 21.23027 10.31464 16.52873       15.81115 
1 1 1 19 3  11  o 43.19289 11.88623 53.63307       21.68140 55.33000       30.91240 51.99000       30.41785 39.94863 14.56158 38.92750 14.40170 1.021126       20.48044 
1 1 1 19 3  12  o 27.41731 12.49287 10.15000       30.93290 10.15000       30.93290 0.000000       0.000000 27.41731 12.49287 ?        ?        ?              ?        
1 1 1 19 3  13  o 32.95869 13.85016 35.90000       31.66797 35.90000       31.66797 0.000000       0.000000 32.95869 13.85016 ?        ?        ?              ?        
1 1 1 19 3  14  o 29.35827 11.05379 24.22497       18.07649 44.88010       21.86795 -20.34000      32.12114 37.77884 12.31400 22.59317 10.97938 15.18567       16.49792 
1 1 1 19 3  15  o 35.17226 11.10366 36.55170       17.88291 44.82853       22.40137 22.01000       29.69271 37.23487 12.47670 28.85089 12.75854 8.383987       17.84512 
1 1 1 19 3  16  o 23.40880 10.07652 9.590039       17.47589 27.47866       21.68208 -23.58000      29.52470 30.08376 11.89358 21.16000 10.33661 8.923767       15.75763 
1 1 1 19 4  -12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 4  -11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 4  -10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 4  -9  o 42.22605 13.06380 57.72138       24.88474 62.00000       33.96001 52.76000       36.56934 39.66320 15.10119 36.34268 15.04684 3.320522       21.31791 
1 1 1 19 4  -8  o 61.48456 7.475537 89.86942       18.43427 90.37607       22.55471 88.85000       31.99323 59.11863 9.649842 51.10287 14.57647 8.015766       17.48122 
1 1 1 19 4  -7  o 31.67418 10.92230 28.07717       17.18215 41.23906       21.10557 2.210000       29.58779 36.98454 12.10017 25.55958 11.85239 11.42496       16.93792 
1 1 1 19 4  -6  o 39.37579 10.73082 42.74826       17.77032 56.81129       21.99735 16.33000       30.14971 44.27878 11.88492 28.59340 12.73838 15.68538       17.42176 
1 1 1 19 4  -5  o 58.71499 7.780632 82.11966       18.24632 70.72858       22.48255 104.1000       31.23059 50.88562 11.10296 58.92246 13.26488 -8.036839      17.29835 
1 1 1 19 4  -4  o 30.50148 11.09650 25.18330       17.93868 18.54078       22.34684 37.22000       30.08176 28.22194 11.73028 34.23678 13.84757 -6.014845      18.14813 
1 1 1 19 4  -3  o 30.90063 11.11727 25.88928       17.94216 34.84053       22.14927 8.805000       30.59961 34.37490 12.35399 27.45848 12.47798 6.916426       17.55907 
1 1 1 19 4  -2  o 37.68417 14.52808 48.37000       31.69580 48.37000       31.69580 0.000000       0.000000 37.68417 14.52808 ?        ?        ?              ?        
1 1 1 19 4  -1  o 37.58650 11.12281 39.16042       18.32251 46.64486       22.47529 24.33000       31.63750 39.67046 12.43766 31.08052 13.46874 8.589947       18.33310 
1 1 1 19 4  0   o 56.72456 8.193631 77.24581       18.48059 97.59478       23.09043 40.98000       30.82546 62.59876 9.289641 35.58954 14.14576 27.00922       16.92336 
1 1 1 19 4  1   o 63.15268 7.372616 93.04033       18.70679 130.7090       23.32493 25.13000       31.31828 74.45693 7.764475 31.24508 13.46987 43.21185       15.54749 
1 1 1 19 4  2   o 22.59063 9.910462 4.460018       17.58428 38.32938       21.91640 -56.74000      29.46059 35.99820 12.33844 18.52310 9.266830 17.47509       15.43085 
1 1 1 19 4  3   o 37.77563 10.88514 39.23803       17.75408 42.30248       22.03692 33.57000       29.97025 37.70169 12.36598 33.30332 13.68826 4.398365       18.44684 
1 1 1 19 4  4   o 36.37377 10.95992 36.72685       17.66666 24.36279       21.74888 60.71000       30.29070 30.16627 11.91637 42.14628 14.50334 -11.98001      18.77090 
1 1 1 19 4  5   o 43.12592 10.26005 49.48047       17.85360 43.13719       22.23225 61.00000       29.96012 37.77091 12.42236 42.17920 14.42694 -4.408287      19.03816 
1 1 1 19 4  6   o 55.89918 8.201712 75.83273       18.21496 66.30154       22.33915 94.74000       31.46355 48.69925 11.40441 54.62886 14.00216 -5.929611      18.05883 
1 1 1 19 4  7   o 22.79609 9.930225 6.236238       17.38408 -0.6146081     21.50073 19.17000       29.54224 22.52790 10.32190 28.99876 12.77919 -6.470858      16.42709 
1 1 1 19 4  8   o 31.40502 11.17332 28.12335       18.07084 21.74992       22.26991 40.41000       30.92063 28.77112 11.80964 34.27003 13.97336 -5.498911      18.29542 
1 1 1 19 4  9   o 23.84270 10.15371 10.09964       17.39929 8.458745       21.48083 13.23000       29.66927 24.48805 10.83940 27.30980 12.36121 -2.821743      16.44056 
1 1 1 19 4  10  o 22.04583 9.790521 4.365813       17.66786 -5.873167      21.72939 24.34000       30.34965 21.20555 9.939998 29.60547 13.00289 -8.399920      16.36700 
1 1 1 19 4  11  o 17.82526 8.499173 -12.23871      17.20846 -1.413654      21.28449 -32.67000      29.24126 21.86305 10.10827 20.14731 9.930777 1.715738       14.17031 
1 1 1 19 4  12  f 37.70147 11.25956 42.41256       18.70777 49.01771       23.24899 30.28000       31.50929 38.53070 12.70472 30.63545 13.35675 7.895252       18.43400 
1 1 1 19 5  -7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19 5  -6  o 39.48929 14.74228 62.09000       32.00958 62.09000       32.00958 0.000000       0.000000 39.48929 14.74228 ?        ?        ?              ?        
1 1 1 19 5  -5  o 40.82943 14.77498 65.31000       31.74678 65.31000       31.74678 0.000000       0.000000 40.82943 14.77498 ?        ?        ?              ?        
1 1 1 19 5  -4  o 24.55490 11.60900 -1.638000      30.79219 -1.638000      30.79219 0.000000       0.000000 24.55490 11.60900 ?        ?        ?              ?        
1 1 1 19 5  -3  o 16.73631 8.154362 -21.15218      18.03615 -24.18687      22.05195 -15.02000      31.34709 18.29243 8.935253 22.85781 11.04540 -4.565380      14.20703 
1 1 1 19 5  -2  o 33.15709 11.54335 33.39150       19.21187 16.39477       23.55108 67.20000       33.21553 26.82430 11.62251 41.03159 15.07216 -14.20729      19.03294 
1 1 1 19 5  -1  o 30.29655 11.40628 26.96204       19.24703 42.64621       24.02363 -1.149000      32.16225 35.75100 12.86389 25.02451 11.84098 10.72649       17.48395 
1 1 1 19 5  0   o 31.14747 11.31985 28.69677       18.66143 24.38772       23.04733 36.90000       31.79964 29.21157 12.00476 32.50785 13.78075 -3.296274      18.27631 
1 1 1 19 5  1   o 36.16296 11.44051 39.30669       18.97530 28.06378       23.08755 62.71000       33.31019 30.43491 12.19367 39.57277 14.98174 -9.137856      19.31679 
1 1 1 19 5  2   o 39.55009 11.21386 45.91212       18.99149 52.31059       23.50485 33.88000       32.23227 40.10791 12.73842 31.68615 13.66255 8.421764       18.67974 
1 1 1 19 5  3   o 33.68292 11.35033 34.12757       18.53756 25.39047       22.78139 51.25000       31.89182 29.47160 12.00262 36.36255 14.40913 -6.890957      18.75329 
1 1 1 19 5  4   o 24.48171 10.45841 11.81032       18.56153 -7.301196      22.98707 47.62000       31.46562 21.30656 10.06032 35.31977 14.20603 -14.01321      17.40751 
1 1 1 19 5  5   o 21.97097 9.893279 3.175470       18.72015 1.311127       23.22398 6.634000       31.63147 23.02763 10.61531 26.01146 12.12709 -2.983828      16.11679 
1 1 1 19 5  6   o 33.57285 11.31079 34.10719       18.40865 24.84405       22.56085 52.56000       31.84254 29.14321 11.91576 36.51059 14.41997 -7.367380      18.70618 
1 1 1 19 5  7   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 0  -19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 0  -18 o 32.05932 17.48983 48.56000       32.61304 48.56000       32.61304 48.56000       32.61304 32.05932 17.48983 32.05932 17.48983 0.000000       0.000000 
1 1 1 20 0  -17 o 18.23767 12.61126 -8.608000      32.02065 -8.608000      32.02065 -8.608000      32.02065 18.23767 12.61126 18.23767 12.61126 0.000000       0.000000 
1 1 1 20 0  -16 o 33.47579 17.58522 49.48000       31.87404 49.48000       31.87404 49.48000       31.87404 33.47579 17.58522 33.47579 17.58522 0.000000       0.000000 
1 1 1 20 0  -15 o 56.14929 16.37825 95.03000       32.69217 95.03000       32.69217 95.03000       32.69217 56.14929 16.37825 56.14929 16.37825 0.000000       0.000000 
1 1 1 20 0  -14 o 27.90107 16.40504 32.47000       31.74553 32.47000       31.74553 32.47000       31.74553 27.90107 16.40504 27.90107 16.40504 0.000000       0.000000 
1 1 1 20 0  -13 o 33.16845 17.24611 45.49000       30.42618 45.49000       30.42618 45.49000       30.42618 33.16845 17.24611 33.16845 17.24611 0.000000       0.000000 
1 1 1 20 0  -12 o 18.38244 12.58146 -7.617000      30.00507 -7.617000      30.00507 -7.617000      30.00507 18.38244 12.58146 18.38244 12.58146 0.000000       0.000000 
1 1 1 20 0  -11 o 40.51507 17.89348 61.36000       31.18803 61.36000       31.18803 61.36000       31.18803 40.51507 17.89348 40.51507 17.89348 0.000000       0.000000 
1 1 1 20 0  -10 o 18.78027 12.68784 -2.972000      28.52446 -2.972000      28.52446 -2.972000      28.52446 18.78027 12.68784 18.78027 12.68784 0.000000       0.000000 
1 1 1 20 0  -9  o 21.84181 13.97192 11.83000       28.00553 11.83000       28.00553 11.83000       28.00553 21.84181 13.97192 21.84181 13.97192 0.000000       0.000000 
1 1 1 20 0  -8  o 33.34163 16.81556 44.07000       28.38739 44.07000       28.38739 44.07000       28.38739 33.34163 16.81556 33.34163 16.81556 0.000000       0.000000 
1 1 1 20 0  -7  o 17.73614 12.15226 -8.661000      28.16242 -8.661000      28.16242 -8.661000      28.16242 17.73614 12.15226 17.73614 12.15226 0.000000       0.000000 
1 1 1 20 0  -6  o 15.73385 11.03379 -19.62000      26.95846 -19.62000      26.95846 -19.62000      26.95846 15.73385 11.03379 15.73385 11.03379 0.000000       0.000000 
1 1 1 20 0  -5  o 27.12267 15.67239 28.57000       28.16613 28.57000       28.16613 28.57000       28.16613 27.12267 15.67239 27.12267 15.67239 0.000000       0.000000 
1 1 1 20 0  -4  o 34.96387 17.09813 47.28000       28.94283 47.28000       28.94283 47.28000       28.94283 34.96387 17.09813 34.96387 17.09813 0.000000       0.000000 
1 1 1 20 0  -3  o 26.33495 15.42569 26.04000       27.88840 26.04000       27.88840 26.04000       27.88840 26.33495 15.42569 26.33495 15.42569 0.000000       0.000000 
1 1 1 20 0  -2  o 36.62706 17.44600 51.15000       29.88343 51.15000       29.88343 51.15000       29.88343 36.62706 17.44600 36.62706 17.44600 0.000000       0.000000 
1 1 1 20 0  -1  o 37.14101 17.26264 51.48000       29.11237 51.48000       29.11237 51.48000       29.11237 37.14101 17.26264 37.14101 17.26264 0.000000       0.000000 
1 1 1 20 0  0   o 41.53405 17.51353 60.82000       30.03122 60.82000       30.03122 60.82000       30.03122 41.53405 17.51353 41.53405 17.51353 0.000000       0.000000 
1 1 1 20 0  1   o 59.05760 14.34538 93.76000       30.06038 93.76000       30.06038 93.76000       30.06038 59.05760 14.34538 59.05760 14.34538 0.000000       0.000000 
1 1 1 20 0  2   o 19.62879 13.04972 1.117000       28.06231 1.117000       28.06231 1.117000       28.06231 19.62879 13.04972 19.62879 13.04972 0.000000       0.000000 
1 1 1 20 0  3   o 17.71430 12.14834 -9.639000      28.28894 -9.639000      28.28894 -9.639000      28.28894 17.71430 12.14834 17.71430 12.14834 0.000000       0.000000 
1 1 1 20 0  4   o 32.21209 16.87235 41.49000       29.27763 41.49000       29.27763 41.49000       29.27763 32.21209 16.87235 32.21209 16.87235 0.000000       0.000000 
1 1 1 20 0  5   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 0  6   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 0  7   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 0  8   o 19.75200 13.06185 3.239000       27.50652 3.239000       27.50652 3.239000       27.50652 19.75200 13.06185 19.75200 13.06185 0.000000       0.000000 
1 1 1 20 0  9   o 39.04186 17.12211 55.68000       28.56645 55.68000       28.56645 55.68000       28.56645 39.04186 17.12211 39.04186 17.12211 0.000000       0.000000 
1 1 1 20 0  10  o 17.22909 11.83473 -9.486000      27.09665 -9.486000      27.09665 -9.486000      27.09665 17.22909 11.83473 17.22909 11.83473 0.000000       0.000000 
1 1 1 20 0  11  o 20.07510 13.17795 5.173000       27.20630 5.173000       27.20630 5.173000       27.20630 20.07510 13.17795 20.07510 13.17795 0.000000       0.000000 
1 1 1 20 0  12  o 33.86289 16.82930 45.28000       28.22849 45.28000       28.22849 45.28000       28.22849 33.86289 16.82930 33.86289 16.82930 0.000000       0.000000 
1 1 1 20 0  13  o 15.23428 10.77111 -24.02000      27.38949 -24.02000      27.38949 -24.02000      27.38949 15.23428 10.77111 15.23428 10.77111 0.000000       0.000000 
1 1 1 20 0  14  o 32.86852 16.87676 44.17000       28.89355 44.17000       28.89355 44.17000       28.89355 32.86852 16.87676 32.86852 16.87676 0.000000       0.000000 
1 1 1 20 0  15  o 30.34118 16.55216 39.15000       29.20924 39.15000       29.20924 39.15000       29.20924 30.34118 16.55216 30.34118 16.55216 0.000000       0.000000 
1 1 1 20 0  16  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 0  17  o 16.14759 11.31489 -16.22000      28.18312 -16.22000      28.18312 -16.22000      28.18312 16.14759 11.31489 16.14759 11.31489 0.000000       0.000000 
1 1 1 20 0  18  o 43.22445 17.32593 68.95000       29.77459 68.95000       29.77459 68.95000       29.77459 43.22445 17.32593 43.22445 17.32593 0.000000       0.000000 
1 1 1 20 0  19  o 17.85566 12.22848 -3.902000      28.44297 -3.902000      28.44297 -3.902000      28.44297 17.85566 12.22848 17.85566 12.22848 0.000000       0.000000 
1 1 1 20 1  -17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 1  -16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 1  -15 o 28.27184 13.12163 14.22000       36.38525 0.000000       0.000000 14.22000       36.38525 ?        ?        28.27184 13.12163 ?              ?        
1 1 1 20 1  -14 o 24.67302 11.01211 7.510088       22.64002 1.355000       32.03760 13.65000       31.99808 25.78134 12.07997 27.92554 12.71736 -2.144207      17.54016 
1 1 1 20 1  -13 o 23.48180 10.64526 2.383878       22.10787 -18.27000      30.92935 23.96000       31.61234 22.88392 11.03660 30.39756 13.31298 -7.513638      17.29283 
1 1 1 20 1  -12 o 27.70679 11.63882 16.87683       22.34992 20.95000       31.14087 12.55000       32.09588 30.04090 13.18342 28.40587 12.85711 1.635029       18.41488 
1 1 1 20 1  -11 o 24.53015 10.86180 5.811007       21.58802 -17.61000      30.46602 29.43000       30.59452 23.21504 11.13352 32.43366 13.62046 -9.218622      17.59182 
1 1 1 20 1  -10 o 29.73347 11.84672 22.08570       21.67074 25.00000       31.11395 19.34000       30.20058 31.52647 13.50591 30.04238 13.08763 1.484089       18.80680 
1 1 1 20 1  -9  o 27.70263 11.45729 16.20203       21.17134 50.02000       30.41404 -15.59000      29.48896 39.19573 14.41836 23.34257 11.12875 15.85316       18.21368 
1 1 1 20 1  -8  o 28.65567 11.52952 19.02867       20.73336 -6.868000      29.15095 45.54000       29.49487 24.64827 11.54064 37.91483 14.15197 -13.26656      18.26101 
1 1 1 20 1  -7  o 29.40219 11.56752 21.05858       20.42011 40.11000       29.40229 3.307000       28.38154 36.15398 13.97806 26.32849 11.98504 9.825487       18.41270 
1 1 1 20 1  -6  o 23.28299 10.41661 1.844189       20.38654 -12.67000      29.43795 15.22000       28.25994 23.85110 11.29836 28.97257 12.64023 -5.121462      16.95371 
1 1 1 20 1  -5  o 25.81538 10.99173 10.69451       20.38314 -6.556000      29.21322 27.06000       28.45399 24.77430 11.58447 32.16254 13.29031 -7.388248      17.63044 
1 1 1 20 1  -4  o 44.48398 11.52811 53.99760       21.16814 38.96000       30.12199 68.67000       29.75396 35.76662 14.05597 46.83545 14.24702 -11.06882      20.01369 
1 1 1 20 1  -3  o 26.69240 11.22892 13.05348       20.85057 30.57000       29.98178 -3.353000      29.01624 33.24699 13.68073 25.26940 11.72457 7.977585       18.01743 
1 1 1 20 1  -2  o 25.40773 10.99225 8.724390       21.00270 -17.25000      29.99778 33.70000       29.41538 23.36729 11.16362 34.15757 13.73652 -10.79028      17.70080 
1 1 1 20 1  -1  o 25.12258 10.97577 7.304641       21.37149 -12.50000      30.84965 25.58000       29.63465 24.36058 11.54745 31.84076 13.39033 -7.480173      17.68176 
1 1 1 20 1  0   o 20.53885 9.644416 -10.70942      20.61096 -12.17000      29.37992 -9.294000      28.92207 23.91252 11.31553 24.21583 11.38783 -0.3033142     16.05378 
1 1 1 20 1  1   o 38.40521 12.18454 41.96751       21.51019 22.28000       30.82216 60.66000       30.03318 31.11861 13.38851 43.48447 14.44376 -12.36587      19.69453 
1 1 1 20 1  2   o 34.11169 12.22670 32.57686       21.67915 12.76000       30.47482 52.88000       30.84646 28.85250 12.83321 40.32126 14.56766 -11.46876      19.41411 
1 1 1 20 1  3   o 35.97320 12.21853 36.72549       21.48373 34.79000       30.04670 38.75000       30.72998 34.48193 13.87749 35.65836 14.13971 -1.176430      19.81202 
1 1 1 20 1  4   o 21.84091 10.05952 -4.905136      20.79169 27.15000       29.69093 -35.75000      29.12503 32.27757 13.47678 20.67274 10.13377 11.60484       16.86170 
1 1 1 20 1  5   o 26.11501 10.99733 11.94952       20.03199 15.95000       28.55884 8.075000       28.10561 29.21562 12.72721 27.28445 12.21700 1.931171       17.64191 
1 1 1 20 1  6   o 25.24946 10.84977 9.070352       20.19334 24.86000       28.96568 -5.860000      28.16647 31.57755 13.25643 24.54038 11.44203 7.037176       17.51151 
1 1 1 20 1  7   o 23.51525 10.39913 3.738787       19.72678 -7.534000      28.03737 14.79000       27.76046 24.18859 11.32303 28.74708 12.53517 -4.558493      16.89206 
1 1 1 20 1  8   o 19.82178 9.346286 -11.91183      19.71447 -37.66000      27.95047 13.58000       27.81099 19.93908 9.804882 28.42010 12.46579 -8.481018      15.85975 
1 1 1 20 1  9   o 31.14584 11.75663 25.67553       20.47743 21.64000       29.10751 29.63000       28.81366 30.59052 13.08309 32.76651 13.43953 -2.175991      18.75602 
1 1 1 20 1  10  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 1  11  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 1  12  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 1  13  o 54.18896 10.19343 77.24915       21.78815 63.97000       30.21215 91.64000       31.45138 42.86506 14.49013 53.24195 14.17571 -10.37690      20.27102 
1 1 1 20 1  14  o 21.09888 9.813284 -4.818927      20.51802 -1.580000      29.03674 -8.049000      28.99702 24.56535 11.50703 23.51027 11.15921 1.055080       16.02934 
1 1 1 20 1  15  o 31.54441 11.88964 30.12352       20.92609 55.10000       29.61354 5.213000       29.57441 38.70184 14.22893 25.62731 11.87196 13.07453       18.53122 
1 1 1 20 1  16  o 20.81990 9.773287 -6.134340      21.13642 -24.48000      29.50681 13.20000       30.29146 21.12450 10.32233 27.02703 12.33333 -5.902523      16.08296 
1 1 1 20 1  17  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 2  -14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 2  -13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 2  -12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 2  -11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 2  -10 o 23.21796 10.56197 2.084900       21.99514 -1.378000      31.63857 5.324000       30.59912 25.31246 11.90575 26.19889 12.11539 -0.8864250     16.98616 
1 1 1 20 2  -9  o 29.55408 11.90038 23.51061       22.10745 66.58000       31.69033 -17.32000      30.85569 43.04954 14.83382 22.95089 11.05749 20.09865       18.50163 
1 1 1 20 2  -8  o 28.85033 11.73372 21.02153       21.73709 48.08000       31.23880 -4.378000      30.26604 37.20488 14.40160 24.81648 11.66375 12.38840       18.53238 
1 1 1 20 2  -7  o 42.97381 12.12966 53.71925       22.27135 51.05000       31.79670 56.29000       31.20453 38.34879 14.60953 40.27940 14.63796 -1.930611      20.68111 
1 1 1 20 2  -6  o 29.94638 11.86263 23.29342       21.60868 17.25000       31.20686 28.86000       29.95042 29.43505 13.04518 32.13624 13.48472 -2.701191      18.76204 
1 1 1 20 2  -5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 2  -4  o 29.70724 11.89290 22.07938       21.94508 -3.499000      31.11392 47.40000       30.95675 25.63200 11.97567 37.91463 14.42214 -12.28263      18.74606 
1 1 1 20 2  -3  f 30.59037 12.06401 24.33709       22.25802 20.95000       32.08316 27.48000       30.90508 30.66124 13.42053 32.12974 13.60144 -1.468506      19.10784 
1 1 1 20 2  -2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 2  -1  o 58.84610 10.01449 87.89915       23.26721 73.69000       32.90961 102.1000       32.90001 46.87509 15.09256 58.17023 13.98541 -11.29514      20.57612 
1 1 1 20 2  0   f 25.02991 11.00148 6.957068       21.76288 21.44000       31.21102 -6.748000      30.36129 30.73639 13.34827 24.96143 11.71615 5.774954       17.76076 
1 1 1 20 2  1   o 50.81264 11.19864 69.20338       22.67126 20.01000       31.62691 121.2000       32.51554 30.45103 13.32673 65.89857 12.50747 -35.44754      18.27673 
1 1 1 20 2  2   o 40.85229 12.22262 48.01209       22.02967 59.43000       31.53583 37.13000       30.78699 42.07418 14.77935 34.84061 14.03842 7.233574       20.38397 
1 1 1 20 2  3   f 19.01851 9.154801 -19.89162      21.04029 -24.09000      30.02371 -15.84000      29.49429 22.28979 10.78035 23.22869 11.08975 -0.9388981     15.46604 
1 1 1 20 2  4   o 53.09469 10.75541 74.23069       22.58073 79.23000       32.17767 69.38000       31.69575 49.20693 14.78343 45.59098 14.82255 3.615952       20.93461 
1 1 1 20 2  5   o 48.28981 11.49152 64.00508       22.39206 60.60000       31.85744 67.33000       31.48024 42.12867 14.84989 44.78342 14.78442 -2.654751      20.95467 
1 1 1 20 2  6   o 18.61307 8.991768 -20.92908      20.73883 -67.56000      28.56216 31.07000       30.16143 17.31586 8.724967 32.74539 13.62057 -15.42953      16.17544 
1 1 1 20 2  7   o 33.27466 12.18436 32.17838       21.67994 23.27000       30.53852 41.23000       30.78306 30.55495 13.23689 35.43673 14.11931 -4.881779      19.35382 
1 1 1 20 2  8   o 21.72382 10.04877 -4.089532      21.07219 0.7282000      29.37350 -9.198000      30.24682 25.44128 11.80163 24.05642 11.41226 1.384857       16.41701 
1 1 1 20 2  9   o 36.69048 12.18048 40.72314       21.35914 26.34000       29.86173 55.79000       30.56324 30.79282 13.21222 39.61396 14.47300 -8.821136      19.59670 
1 1 1 20 2  10  o 18.33260 8.904775 -22.08762      21.06358 -37.70000      29.38695 -5.592000      30.20676 19.95863 9.859803 24.28495 11.48637 -4.326321      15.13778 
1 1 1 20 2  11  o 31.49367 10.94049 28.45287       17.25282 24.39730       20.99784 36.88000       30.26830 29.41516 11.68042 32.96227 13.67205 -3.547108      17.98214 
1 1 1 20 2  12  f 42.55722 10.50971 50.43783       18.20412 45.49554       22.56927 59.64000       30.79633 37.59017 12.52197 39.66743 14.52243 -2.077267      19.17552 
1 1 1 20 2  13  o 26.84921 10.66925 18.81648       17.53183 42.24661       21.86675 -23.35000      29.33463 36.21058 12.32654 21.18561 10.33915 15.02497       16.08856 
1 1 1 20 2  14  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 3  -10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 3  -9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 3  -8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 3  -7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20 3  -6  o 23.56581 10.82240 2.229197       23.82201 23.89000       33.72908 -19.33000      33.64988 29.70221 13.33499 23.08903 11.22430 6.613176       17.43006 
1 1 1 20 3  -5  f 28.65264 11.86324 22.14343       22.73248 59.19000       32.67702 -12.60000      31.64498 39.07179 14.82795 23.44303 11.26990 15.62877       18.62468 
1 1 1 20 3  -4  o 27.24235 11.63648 17.21136       22.97424 -2.065000      33.13385 35.06000       31.88319 25.35859 12.00483 32.43420 13.77619 -7.075603      18.27291 
1 1 1 20 3  -3  o 20.74243 9.865211 -11.69637      22.88867 -15.79000      33.01963 -7.910000      31.75624 23.54135 11.36600 24.24946 11.55764 -0.7081165     16.21003 
1 1 1 20 3  -2  o 18.79400 9.173285 -25.42797      23.11546 -42.40000      33.18567 -9.433000      32.21627 20.78712 10.30628 24.20356 11.56476 -3.416437      15.49075 
1 1 1 20 3  -1  f 39.45725 12.85699 49.69550       23.83999 40.29000       34.43849 58.35000       33.03497 33.84526 14.34415 39.19294 14.90074 -5.347675      20.68300 
1 1 1 20 3  0   o 33.44340 12.52698 34.78589       23.15164 24.87000       33.76934 43.58000       31.80188 30.40285 13.51675 35.04443 14.21480 -4.641579      19.61538 
1 1 1 20 3  1   f 31.48868 12.36314 29.68553       23.28454 7.942000       33.50768 49.99000       32.37988 27.17857 12.60658 36.77926 14.53642 -9.600695      19.24145 
1 1 1 20 3  2   o 21.06072 9.948615 -9.211051      22.52516 -20.10000      32.66968 0.6561000      31.09910 22.95768 11.13703 25.44158 11.91464 -2.483900      16.30927 
1 1 1 20 3  3   o 18.97725 9.181927 -19.85544      21.83510 -29.86000      32.03052 -11.17000      29.84426 21.61794 10.60329 23.24820 11.11443 -1.630253      15.36100 
1 1 1 20 3  4   o 44.13968 10.23946 52.87252       18.14767 40.01239       22.28364 78.20000       31.27228 35.56614 12.42871 46.85858 14.66829 -11.29244      19.22581 
1 1 1 20 3  5   f 38.49944 10.96398 42.56360       18.11474 43.38061       22.47816 41.05000       30.59528 36.87089 12.49839 34.03851 13.89184 2.832382       18.68670 
1 1 1 20 3  6   o 34.92914 11.09744 35.77826       17.83777 39.21352       22.00788 29.20000       30.45469 35.08729 12.34473 30.75749 13.27141 4.329803       18.12520 
1 1 1 20 3  7   o 33.80567 11.15720 33.84185       17.92874 28.25920       22.03399 44.78000       30.84220 30.57190 12.01951 34.78061 14.03797 -4.208702      18.48062 
1 1 1 20 3  8   o 27.44581 10.78661 20.21637       17.74006 28.52873       21.94818 4.553000       30.12860 30.57506 12.00351 25.41619 11.84487 5.158871       16.86372 
1 1 1 20 3  9   o 22.11624 9.788057 5.333829       17.50950 2.179649       21.69310 11.23000       29.65946 22.71101 10.39159 26.44995 12.12049 -3.738935      15.96531 
1 1 1 20 3  10  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21 0  -14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21 0  -13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21 0  -12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21 0  -11 o 16.25242 11.53260 -25.63000      32.38400 -25.63000      32.38400 -25.63000      32.38400 16.25242 11.53260 16.25242 11.53260 0.000000       0.000000 
1 1 1 21 0  -10 o 29.90081 16.77859 40.02000       30.99375 40.02000       30.99375 40.02000       30.99375 29.90081 16.77859 29.90081 16.77859 0.000000       0.000000 
1 1 1 21 0  -9  o 20.04190 13.39460 3.537000       30.24065 3.537000       30.24065 3.537000       30.24065 20.04190 13.39460 20.04190 13.39460 0.000000       0.000000 
1 1 1 21 0  -8  o 20.59433 13.61106 6.289000       29.79983 6.289000       29.79983 6.289000       29.79983 20.59433 13.61106 20.59433 13.61106 0.000000       0.000000 
1 1 1 21 0  -7  o 15.65719 11.06765 -23.81000      28.86477 -23.81000      28.86477 -23.81000      28.86477 15.65719 11.06765 15.65719 11.06765 0.000000       0.000000 
1 1 1 21 0  -6  o 42.71619 18.04683 67.37000       31.87692 67.37000       31.87692 67.37000       31.87692 42.71619 18.04683 42.71619 18.04683 0.000000       0.000000 
1 1 1 21 0  -5  o 17.82286 12.30900 -11.22000      30.26931 -11.22000      30.26931 -11.22000      30.26931 17.82286 12.30900 17.82286 12.30900 0.000000       0.000000 
1 1 1 21 0  -4  o 19.73018 13.19768 1.264000       29.47029 1.264000       29.47029 1.264000       29.47029 19.73018 13.19768 19.73018 13.19768 0.000000       0.000000 
1 1 1 21 0  -3  o 28.12653 16.27168 32.61000       30.41662 32.61000       30.41662 32.61000       30.41662 28.12653 16.27168 28.12653 16.27168 0.000000       0.000000 
1 1 1 21 0  -2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21 0  -1  o 21.14134 13.92932 6.571000       30.83096 6.571000       30.83096 6.571000       30.83096 21.14134 13.92932 21.14134 13.92932 0.000000       0.000000 
1 1 1 21 0  0   o 21.20382 13.83941 8.274000       29.38008 8.274000       29.38008 8.274000       29.38008 21.20382 13.83941 21.20382 13.83941 0.000000       0.000000 
1 1 1 21 0  1   o 21.81424 14.10042 10.86000       29.49137 10.86000       29.49137 10.86000       29.49137 21.81424 14.10042 21.81424 14.10042 0.000000       0.000000 
1 1 1 21 0  2   o 19.17034 12.89821 -1.089000      28.90561 -1.089000      28.90561 -1.089000      28.90561 19.17034 12.89821 19.17034 12.89821 0.000000       0.000000 
1 1 1 21 0  3   o 16.56651 11.60139 -18.82000      29.49771 -18.82000      29.49771 -18.82000      29.49771 16.56651 11.60139 16.56651 11.60139 0.000000       0.000000 
1 1 1 21 0  4   o 31.24770 17.02513 41.27000       30.86236 41.27000       30.86236 41.27000       30.86236 31.24770 17.02513 31.24770 17.02513 0.000000       0.000000 
1 1 1 21 0  5   o 13.47318 9.753956 -45.45000      28.60721 -45.45000      28.60721 -45.45000      28.60721 13.47318 9.753956 13.47318 9.753956 0.000000       0.000000 
1 1 1 21 0  6   o 19.62412 13.16303 0.7174000      29.68135 0.7174000      29.68135 0.7174000      29.68135 19.62412 13.16303 19.62412 13.16303 0.000000       0.000000 
1 1 1 21 0  7   o 30.59040 16.86099 40.18000       30.64459 40.18000       30.64459 40.18000       30.64459 30.59040 16.86099 30.59040 16.86099 0.000000       0.000000 
1 1 1 21 0  8   o 22.51845 14.43705 14.66000       30.10991 14.66000       30.10991 14.66000       30.10991 22.51845 14.43705 22.51845 14.43705 0.000000       0.000000 
1 1 1 21 0  9   o 24.70338 15.10187 23.67000       29.04290 23.67000       29.04290 23.67000       29.04290 24.70338 15.10187 24.70338 15.10187 0.000000       0.000000 
1 1 1 21 0  10  o 28.17463 16.25833 34.93000       30.24933 34.93000       30.24933 34.93000       30.24933 28.17463 16.25833 28.17463 16.25833 0.000000       0.000000 
1 1 1 21 0  11  o 16.60599 11.60273 -14.74000      29.03021 -14.74000      29.03021 -14.74000      29.03021 16.60599 11.60273 16.60599 11.60273 0.000000       0.000000 
1 1 1 21 0  12  o 20.08586 13.36866 6.201000       29.59122 6.201000       29.59122 6.201000       29.59122 20.08586 13.36866 20.08586 13.36866 0.000000       0.000000 
1 1 1 21 0  13  o 32.34456 17.19642 47.99000       30.77712 47.99000       30.77712 47.99000       30.77712 32.34456 17.19642 32.34456 17.19642 0.000000       0.000000 
1 1 1 21 0  14  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21 1  -11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21 1  -10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21 1  -9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21 1  -8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21 1  -7  o 18.78616 9.103889 -20.22014      21.68323 -23.72000      30.95840 -16.85000      30.37924 21.85747 10.65701 22.52038 10.88019 -0.6629086     15.22992 
1 1 1 21 1  -6  o 31.85541 12.17324 30.78178       22.11981 37.54000       31.53983 24.24000       31.03065 33.16308 13.87143 29.89304 13.13795 3.270042       19.10556 
1 1 1 21 1  -5  o 33.32574 12.31946 34.16462       22.25008 51.61000       31.36418 16.49000       31.56957 37.53396 14.45668 28.44736 12.82516 9.086607       19.32564 
1 1 1 21 1  -4  o 19.18526 9.256989 -19.05057      21.81867 -28.79000      30.69291 -9.101000      31.02225 21.43168 10.48421 24.05965 11.45483 -2.627972      15.52842 
1 1 1 21 1  -3  o 17.57132 8.647071 -31.07177      21.87340 -32.06000      30.82893 -30.07000      31.03946 21.15849 10.38294 21.44932 10.50343 -0.2908363     14.76914 
1 1 1 21 1  -2  o 25.12805 11.13085 8.479825       22.69222 -0.1957000     32.27593 16.96000       31.91048 25.83668 12.11197 28.86777 12.96461 -3.031092      17.74207 
1 1 1 21 1  -1  o 19.38272 9.352978 -19.53876      22.28380 -15.29000      31.34578 -23.88000      31.68506 23.39583 11.23926 22.41737 10.89639 0.9784641      15.65414 
1 1 1 21 1  0   o 27.04678 11.56206 15.32972       22.71354 29.50000       32.47221 1.755000       31.78250 31.72862 13.69727 26.07789 12.15737 5.650736       18.31439 
1 1 1 21 1  1   o 29.27375 12.03198 22.38854       23.15609 35.68000       32.90608 9.350000       32.59150 33.21760 14.04713 27.54864 12.65410 5.668962       18.90630 
1 1 1 21 1  2   o 36.64238 12.46822 41.34313       22.37198 46.35000       31.95556 36.53000       31.33120 36.20098 14.39819 33.46992 13.89870 2.731064       20.01204 
1 1 1 21 1  3   o 33.28053 12.31023 33.47415       22.22272 36.88000       31.62018 30.15000       31.23864 33.48843 13.93919 31.75001 13.56563 1.738428       19.45064 
1 1 1 21 1  4   o 36.88410 12.45824 42.16599       22.33307 22.99000       31.73103 60.99000       31.43847 29.99590 13.23034 40.92636 14.71710 -10.93046      19.78976 
1 1 1 21 1  5   o 30.69248 11.99410 27.30580       21.82909 25.60000       30.74435 29.04000       30.99921 30.35803 13.21531 31.19564 13.42434 -0.8376160     18.83766 
1 1 1 21 1  6   o 22.81855 10.33945 2.534997       20.82474 9.634000       29.31793 -4.694000      29.58514 26.58017 12.13099 24.11794 11.39543 2.462238       16.64382 
1 1 1 21 1  7   o 36.59193 12.26473 42.03989       21.64651 29.39000       30.51101 54.86000       30.71560 30.93163 13.31456 38.33053 14.41393 -7.398903      19.62240 
1 1 1 21 1  8   o 23.80197 10.63663 6.648798       21.19218 26.72000       30.16983 -12.90000      29.77462 30.11859 13.10141 22.77934 10.94591 7.339252       17.07220 
1 1 1 21 1  9   o 18.85879 9.096184 -17.10275      21.02136 -20.24000      29.41938 -13.83000      30.04798 21.62713 10.50937 22.64359 10.91003 -1.016460      15.14845 
1 1 1 21 1  10  o 34.56849 12.35322 38.82416       22.11268 45.03000       31.35043 32.68000       31.19425 34.48568 14.06681 31.24224 13.45568 3.243443       19.46613 
1 1 1 21 1  11  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21 2  -5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21 2  -4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21 2  -3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21 2  -2  o 31.70591 12.52702 32.49649       24.03930 30.19000       34.23444 34.74000       33.76384 30.63282 13.61480 31.61754 13.80487 -0.9847202     19.38910 
1 1 1 21 2  -1  o 20.93642 9.956115 -9.926875      23.29648 25.79000       33.60606 -42.97000      32.32373 29.75017 13.33718 20.14120 10.01737 9.608973       16.68017 
1 1 1 21 2  0   o 27.98791 11.85411 20.85743       23.49449 63.55000       34.02017 -18.07000      32.48540 39.26936 15.07408 22.74151 11.04917 16.52785       18.68989 
1 1 1 21 2  1   o 42.42632 12.92291 59.07876       24.46947 62.59000       34.99561 55.72000       34.22728 38.60086 15.15628 36.86728 14.82055 1.733578       21.19815 
1 1 1 21 2  2   o 19.59108 9.490885 -19.07085      23.51691 4.906000       33.53550 -42.27000      32.98714 26.05478 12.25570 20.40414 10.14340 5.650637       15.90883 
1 1 1 21 2  3   o 23.44081 10.73592 3.390845       23.22930 1.378000       33.43498 5.269000       32.29696 25.48307 12.06243 25.86432 12.12204 -0.3812447     17.10105 
1 1 1 21 2  4   o 19.82446 9.545370 -15.64730      22.91074 2.273000       32.61698 -33.10000      32.18863 25.42751 11.99931 20.97590 10.35429 4.451609       15.84913 
1 1 1 21 2  5   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22 0  -6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22 0  -5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22 0  -4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22 0  -3  o 18.89544 13.02622 -5.022000      33.53070 -5.022000      33.53070 -5.022000      33.53070 18.89544 13.02622 18.89544 13.02622 0.000000       0.000000 
1 1 1 22 0  -2  o 18.56870 12.79379 -5.386000      32.23638 -5.386000      32.23638 -5.386000      32.23638 18.56870 12.79379 18.56870 12.79379 0.000000       0.000000 
1 1 1 22 0  -1  o 23.98685 15.30745 22.64000       33.37101 22.64000       33.37101 22.64000       33.37101 23.98685 15.30745 23.98685 15.30745 0.000000       0.000000 
1 1 1 22 0  0   o 28.44335 16.78087 38.99000       33.41399 38.99000       33.41399 38.99000       33.41399 28.44335 16.78087 28.44335 16.78087 0.000000       0.000000 
1 1 1 22 0  1   o 14.79004 10.66508 -40.35000      32.58769 -40.35000      32.58769 -40.35000      32.58769 14.79004 10.66508 14.79004 10.66508 0.000000       0.000000 
1 1 1 22 0  2   o 14.12164 10.23256 -46.01000      31.84900 -46.01000      31.84900 -46.01000      31.84900 14.12164 10.23256 14.12164 10.23256 0.000000       0.000000 
1 1 1 22 0  3   o 20.64205 13.84575 6.763000       32.83948 6.763000       32.83948 6.763000       32.83948 20.64205 13.84575 20.64205 13.84575 0.000000       0.000000 
1 1 1 22 0  4   o 55.55070 16.67135 98.32000       33.03538 98.32000       33.03538 98.32000       33.03538 55.55070 16.67135 55.55070 16.67135 0.000000       0.000000 
1 1 1 22 0  5   o 35.45192 18.03370 57.82000       32.80473 57.82000       32.80473 57.82000       32.80473 35.45192 18.03370 35.45192 18.03370 0.000000       0.000000 
1 1 1 22 0  6   x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
# 
#END OF REFLECTIONS
